# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/58fc35ce-2904-4305-9433-bf2ae25500d5/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 SrMg2FeH8 / P-3m1 (164) / materials id 643004](https://mdr.nims.go.jp/datasets/d73f9540-ef01-4df9-aafd-33f3d22a61f1) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 21:06:04]-------------------------Compiled with OpenMP support (max 128 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: [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P-3m1 (164)Number of symmetry operations in supercell: 96------------------------------ primitive cell ------------------------------Lattice vectors: a 4.441827578479971 0.000000000000000 0.000000000000000 b -2.220913789239986 3.846735522193972 0.000000000000000 c 0.000000000000000 0.000000000000000 6.473280540000000Atomic positions (fractional): *1 Sr 0.00000000000000 0.00000000000000 0.50000000000000 87.620 *2 Mg 0.66666666666667 0.33333333333333 0.87627915599945 24.305 3 Mg 0.33333333333333 0.66666666666667 0.12372084400055 24.305 *4 Fe 0.00000000000000 0.00000000000000 0.00000000000000 55.845 *5 H 0.83876005070086 0.16123994929914 0.14589671175004 1.008 6 H 0.32247989859828 0.16123994929914 0.14589671175004 1.008 7 H 0.83876005070086 0.67752010140172 0.14589671175004 1.008 8 H 0.16123994929914 0.83876005070086 0.85410328824996 1.008 9 H 0.67752010140172 0.83876005070086 0.85410328824996 1.008 10 H 0.16123994929914 0.32247989859828 0.85410328824996 1.008 *11 H 0.66666666666667 0.33333333333333 0.57994305734326 1.008 12 H 0.33333333333333 0.66666666666667 0.42005694265674 1.008-------------------------------- unit cell ---------------------------------Lattice vectors: a 4.441827578479971 0.000000000000000 0.000000000000000 b -2.220913789239986 3.846735522193972 0.000000000000000 c 0.000000000000000 0.000000000000000 6.473280540000000Atomic positions (fractional): *1 Sr 0.00000000000000 0.00000000000000 0.50000000000000 87.620 > 1 *2 Mg 0.66666666666667 0.33333333333333 0.87627915599945 24.305 > 2 3 Mg 0.33333333333333 0.66666666666667 0.12372084400055 24.305 > 3 *4 Fe 0.00000000000000 0.00000000000000 0.00000000000000 55.845 > 4 *5 H 0.83876005070086 0.16123994929914 0.14589671175004 1.008 > 5 6 H 0.32247989859828 0.16123994929914 0.14589671175004 1.008 > 6 7 H 0.83876005070086 0.67752010140172 0.14589671175004 1.008 > 7 8 H 0.16123994929914 0.83876005070086 0.85410328824996 1.008 > 8 9 H 0.67752010140172 0.83876005070086 0.85410328824996 1.008 > 9 10 H 0.16123994929914 0.32247989859828 0.85410328824996 1.008 > 10 *11 H 0.66666666666667 0.33333333333333 0.57994305734326 1.008 > 11 12 H 0.33333333333333 0.66666666666667 0.42005694265674 1.008 > 12-------------------------------- super cell --------------------------------Lattice vectors: a 8.883655156959941 0.000000000000000 0.000000000000000 b -4.441827578479972 7.693471044387944 0.000000000000000 c 0.000000000000000 0.000000000000000 12.946561080000000Atomic positions (fractional): *1 Sr 0.00000000000000 0.00000000000000 0.25000000000000 87.620 > 1 2 Sr 0.50000000000000 0.00000000000000 0.25000000000000 87.620 > 1 3 Sr 0.00000000000000 0.50000000000000 0.25000000000000 87.620 > 1 4 Sr 0.50000000000000 0.50000000000000 0.25000000000000 87.620 > 1 5 Sr 0.00000000000000 0.00000000000000 0.75000000000000 87.620 > 1 6 Sr 0.50000000000000 0.00000000000000 0.75000000000000 87.620 > 1 7 Sr 0.00000000000000 0.50000000000000 0.75000000000000 87.620 > 1 8 Sr 0.50000000000000 0.50000000000000 0.75000000000000 87.620 > 1 *9 Mg 0.33333333333333 0.16666666666667 0.43813957799972 24.305 > 2 10 Mg 0.83333333333333 0.16666666666667 0.43813957799972 24.305 > 2 11 Mg 0.33333333333333 0.66666666666667 0.43813957799972 24.305 > 2 12 Mg 0.83333333333333 0.66666666666667 0.43813957799972 24.305 > 2 13 Mg 0.33333333333333 0.16666666666667 0.93813957799972 24.305 > 2 14 Mg 0.83333333333333 0.16666666666667 0.93813957799972 24.305 > 2 15 Mg 0.33333333333333 0.66666666666667 0.93813957799972 24.305 > 2 16 Mg 0.83333333333333 0.66666666666667 0.93813957799972 24.305 > 2 17 Mg 0.16666666666667 0.33333333333333 0.06186042200028 24.305 > 3 18 Mg 0.66666666666667 0.33333333333333 0.06186042200028 24.305 > 3 19 Mg 0.16666666666667 0.83333333333333 0.06186042200028 24.305 > 3 20 Mg 0.66666666666667 0.83333333333333 0.06186042200028 24.305 > 3 21 Mg 0.16666666666667 0.33333333333333 0.56186042200028 24.305 > 3 22 Mg 0.66666666666667 0.33333333333333 0.56186042200028 24.305 > 3 23 Mg 0.16666666666667 0.83333333333333 0.56186042200028 24.305 > 3 24 Mg 0.66666666666667 0.83333333333333 0.56186042200028 24.305 > 3 *25 Fe 0.00000000000000 0.00000000000000 0.00000000000000 55.845 > 4 26 Fe 0.50000000000000 0.00000000000000 0.00000000000000 55.845 > 4 27 Fe 0.00000000000000 0.50000000000000 0.00000000000000 55.845 > 4 28 Fe 0.50000000000000 0.50000000000000 0.00000000000000 55.845 > 4 29 Fe 0.00000000000000 0.00000000000000 0.50000000000000 55.845 > 4 30 Fe 0.50000000000000 0.00000000000000 0.50000000000000 55.845 > 4 31 Fe 0.00000000000000 0.50000000000000 0.50000000000000 55.845 > 4 32 Fe 0.50000000000000 0.50000000000000 0.50000000000000 55.845 > 4 *33 H 0.41938002535043 0.08061997464957 0.07294835587502 1.008 > 5 34 H 0.91938002535043 0.08061997464957 0.07294835587502 1.008 > 5 35 H 0.41938002535043 0.58061997464957 0.07294835587502 1.008 > 5 36 H 0.91938002535043 0.58061997464957 0.07294835587502 1.008 > 5 37 H 0.41938002535043 0.08061997464957 0.57294835587502 1.008 > 5 38 H 0.91938002535043 0.08061997464957 0.57294835587502 1.008 > 5 39 H 0.41938002535043 0.58061997464957 0.57294835587502 1.008 > 5 40 H 0.91938002535043 0.58061997464957 0.57294835587502 1.008 > 5 41 H 0.16123994929914 0.08061997464957 0.07294835587502 1.008 > 6 42 H 0.66123994929914 0.08061997464957 0.07294835587502 1.008 > 6 43 H 0.16123994929914 0.58061997464957 0.07294835587502 1.008 > 6 44 H 0.66123994929914 0.58061997464957 0.07294835587502 1.008 > 6 45 H 0.16123994929914 0.08061997464957 0.57294835587502 1.008 > 6 46 H 0.66123994929914 0.08061997464957 0.57294835587502 1.008 > 6 47 H 0.16123994929914 0.58061997464957 0.57294835587502 1.008 > 6 48 H 0.66123994929914 0.58061997464957 0.57294835587502 1.008 > 6 49 H 0.41938002535043 0.33876005070086 0.07294835587502 1.008 > 7 50 H 0.91938002535043 0.33876005070086 0.07294835587502 1.008 > 7 51 H 0.41938002535043 0.83876005070086 0.07294835587502 1.008 > 7 52 H 0.91938002535043 0.83876005070086 0.07294835587502 1.008 > 7 53 H 0.41938002535043 0.33876005070086 0.57294835587502 1.008 > 7 54 H 0.91938002535043 0.33876005070086 0.57294835587502 1.008 > 7 55 H 0.41938002535043 0.83876005070086 0.57294835587502 1.008 > 7 56 H 0.91938002535043 0.83876005070086 0.57294835587502 1.008 > 7 57 H 0.08061997464957 0.41938002535043 0.42705164412498 1.008 > 8 58 H 0.58061997464957 0.41938002535043 0.42705164412498 1.008 > 8 59 H 0.08061997464957 0.91938002535043 0.42705164412498 1.008 > 8 60 H 0.58061997464957 0.91938002535043 0.42705164412498 1.008 > 8 61 H 0.08061997464957 0.41938002535043 0.92705164412498 1.008 > 8 62 H 0.58061997464957 0.41938002535043 0.92705164412498 1.008 > 8 63 H 0.08061997464957 0.91938002535043 0.92705164412498 1.008 > 8 64 H 0.58061997464957 0.91938002535043 0.92705164412498 1.008 > 8 65 H 0.33876005070086 0.41938002535043 0.42705164412498 1.008 > 9 66 H 0.83876005070086 0.41938002535043 0.42705164412498 1.008 > 9 67 H 0.33876005070086 0.91938002535043 0.42705164412498 1.008 > 9 68 H 0.83876005070086 0.91938002535043 0.42705164412498 1.008 > 9 69 H 0.33876005070086 0.41938002535043 0.92705164412498 1.008 > 9 70 H 0.83876005070086 0.41938002535043 0.92705164412498 1.008 > 9 71 H 0.33876005070086 0.91938002535043 0.92705164412498 1.008 > 9 72 H 0.83876005070086 0.91938002535043 0.92705164412498 1.008 > 9 73 H 0.08061997464957 0.16123994929914 0.42705164412498 1.008 > 10 74 H 0.58061997464957 0.16123994929914 0.42705164412498 1.008 > 10 75 H 0.08061997464957 0.66123994929914 0.42705164412498 1.008 > 10 76 H 0.58061997464957 0.66123994929914 0.42705164412498 1.008 > 10 77 H 0.08061997464957 0.16123994929914 0.92705164412498 1.008 > 10 78 H 0.58061997464957 0.16123994929914 0.92705164412498 1.008 > 10 79 H 0.08061997464957 0.66123994929914 0.92705164412498 1.008 > 10 80 H 0.58061997464957 0.66123994929914 0.92705164412498 1.008 > 10 *81 H 0.33333333333333 0.16666666666667 0.28997152867163 1.008 > 11 82 H 0.83333333333333 0.16666666666667 0.28997152867163 1.008 > 11 83 H 0.33333333333333 0.66666666666667 0.28997152867163 1.008 > 11 84 H 0.83333333333333 0.66666666666667 0.28997152867163 1.008 > 11 85 H 0.33333333333333 0.16666666666667 0.78997152867163 1.008 > 11 86 H 0.83333333333333 0.16666666666667 0.78997152867163 1.008 > 11 87 H 0.33333333333333 0.66666666666667 0.78997152867163 1.008 > 11 88 H 0.83333333333333 0.66666666666667 0.78997152867163 1.008 > 11 89 H 0.16666666666667 0.33333333333333 0.21002847132837 1.008 > 12 90 H 0.66666666666667 0.33333333333333 0.21002847132837 1.008 > 12 91 H 0.16666666666667 0.83333333333333 0.21002847132837 1.008 > 12 92 H 0.66666666666667 0.83333333333333 0.21002847132837 1.008 > 12 93 H 0.16666666666667 0.33333333333333 0.71002847132837 1.008 > 12 94 H 0.66666666666667 0.33333333333333 0.71002847132837 1.008 > 12 95 H 0.16666666666667 0.83333333333333 0.71002847132837 1.008 > 12 96 H 0.66666666666667 0.83333333333333 0.71002847132837 1.008 > 12----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 4.9890126 0.0000000 0.0000000 0.0000000 4.9890126 0.0000000 0.0000000 0.0000000 4.8705336-------------------------- Born effective charges -------------------------- 1 Sr 2.0242636 0.0000000 -0.0000000 -0.0000000 2.0242636 -0.0000000 -0.0000000 0.0000000 2.8689349 2 Mg 2.0863106 0.0000000 -0.0000000 -0.0000000 2.0863106 -0.0000000 -0.0000000 0.0000000 1.5467881 3 Mg 2.0863106 0.0000000 -0.0000000 -0.0000000 2.0863106 -0.0000000 -0.0000000 0.0000000 1.5467881 4 Fe -3.1042354 -0.0000000 -0.0000000 -0.0000000 -3.1042354 -0.0000000 -0.0000000 0.0000000 -2.5264222 5 H -0.3326250 0.2508479 0.3568184 0.2508479 -0.0429708 -0.2060092 0.2584115 -0.1491939 -0.2166651 6 H -0.3326250 -0.2508479 -0.3568184 -0.2508479 -0.0429708 -0.2060092 -0.2584115 -0.1491939 -0.2166651 7 H 0.1018563 -0.0000000 0.0000000 -0.0000000 -0.4774521 0.4120184 -0.0000000 0.2983878 -0.2166651 8 H -0.3326250 0.2508479 0.3568184 0.2508479 -0.0429708 -0.2060092 0.2584115 -0.1491939 -0.2166651 9 H -0.3326250 -0.2508479 -0.3568184 -0.2508479 -0.0429708 -0.2060092 -0.2584115 -0.1491939 -0.2166651 10 H 0.1018563 -0.0000000 0.0000000 -0.0000000 -0.4774521 0.4120184 -0.0000000 0.2983878 -0.2166651 11 H -0.9829311 -0.0000000 -0.0000000 -0.0000000 -0.9829311 -0.0000000 -0.0000000 0.0000000 -1.0680492 12 H -0.9829311 -0.0000000 -0.0000000 -0.0000000 -0.9829311 -0.0000000 -0.0000000 0.0000000 -1.0680492----------------------------------------------------------------------------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: 288/288Permutation basis: 5544/5544Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 531Number of blocks in projector: 430Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 239Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 182Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 110Use standard eigh solver.Tree of FC basis block matrices:- (531, 518), data: False|-- (110, 105), data: True|-- (182, 180), data: True|-- (239, 233), data: True-----Solver_atoms: 1 -- 96 / 96Time (Solver_compr_matrix_reshape): 0.007Solver_block: 100 / 160 - Time: 0.368Solver_block: 160 / 160 - Time: 0.248Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.628--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 288/288Permutation basis: 5544/5544Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 531Number of blocks in projector: 430Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 239Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 182Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 110Use standard eigh solver.Tree of FC basis block matrices:- (531, 518), data: False|-- (110, 105), data: True|-- (182, 180), data: True|-- (239, 233), data: TrueMax drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 21:06:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 21:06:11]-------------------------Compiled with OpenMP support (max 128 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): [2 2 2]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P-3m1 (164)------------------------------ primitive cell ------------------------------Lattice vectors: a 4.441827578479971 0.000000000000000 0.000000000000000 b -2.220913789239986 3.846735522193972 0.000000000000000 c 0.000000000000000 0.000000000000000 6.473280540000000Atomic positions (fractional): 1 Sr 0.00000000000000 0.00000000000000 0.50000000000000 87.620 2 Mg 0.66666666666667 0.33333333333333 0.87627915599945 24.305 3 Mg 0.33333333333333 0.66666666666667 0.12372084400055 24.305 4 Fe 0.00000000000000 0.00000000000000 0.00000000000000 55.845 5 H 0.83876005070086 0.16123994929914 0.14589671175004 1.008 6 H 0.32247989859828 0.16123994929914 0.14589671175004 1.008 7 H 0.83876005070086 0.67752010140172 0.14589671175004 1.008 8 H 0.16123994929914 0.83876005070086 0.85410328824996 1.008 9 H 0.67752010140172 0.83876005070086 0.85410328824996 1.008 10 H 0.16123994929914 0.32247989859828 0.85410328824996 1.008 11 H 0.66666666666667 0.33333333333333 0.57994305734326 1.008 12 H 0.33333333333333 0.66666666666667 0.42005694265674 1.008-------------------------------- supercell ---------------------------------Lattice vectors: a 8.883655156959941 0.000000000000000 0.000000000000000 b -4.441827578479972 7.693471044387944 0.000000000000000 c 0.000000000000000 0.000000000000000 12.946561080000000Atomic positions (fractional): 1 Sr 0.00000000000000 0.00000000000000 0.25000000000000 87.620 > 1 2 Sr 0.50000000000000 0.00000000000000 0.25000000000000 87.620 > 1 3 Sr 0.00000000000000 0.50000000000000 0.25000000000000 87.620 > 1 4 Sr 0.50000000000000 0.50000000000000 0.25000000000000 87.620 > 1 5 Sr 0.00000000000000 0.00000000000000 0.75000000000000 87.620 > 1 6 Sr 0.50000000000000 0.00000000000000 0.75000000000000 87.620 > 1 7 Sr 0.00000000000000 0.50000000000000 0.75000000000000 87.620 > 1 8 Sr 0.50000000000000 0.50000000000000 0.75000000000000 87.620 > 1 9 Mg 0.33333333333333 0.16666666666667 0.43813957799972 24.305 > 9 10 Mg 0.83333333333333 0.16666666666667 0.43813957799972 24.305 > 9 11 Mg 0.33333333333333 0.66666666666667 0.43813957799972 24.305 > 9 12 Mg 0.83333333333333 0.66666666666667 0.43813957799972 24.305 > 9 13 Mg 0.33333333333333 0.16666666666667 0.93813957799972 24.305 > 9 14 Mg 0.83333333333333 0.16666666666667 0.93813957799972 24.305 > 9 15 Mg 0.33333333333333 0.66666666666667 0.93813957799972 24.305 > 9 16 Mg 0.83333333333333 0.66666666666667 0.93813957799972 24.305 > 9 17 Mg 0.16666666666667 0.33333333333333 0.06186042200028 24.305 > 17 18 Mg 0.66666666666667 0.33333333333333 0.06186042200028 24.305 > 17 19 Mg 0.16666666666667 0.83333333333333 0.06186042200028 24.305 > 17 20 Mg 0.66666666666667 0.83333333333333 0.06186042200028 24.305 > 17 21 Mg 0.16666666666667 0.33333333333333 0.56186042200028 24.305 > 17 22 Mg 0.66666666666667 0.33333333333333 0.56186042200028 24.305 > 17 23 Mg 0.16666666666667 0.83333333333333 0.56186042200028 24.305 > 17 24 Mg 0.66666666666667 0.83333333333333 0.56186042200028 24.305 > 17 25 Fe 0.00000000000000 0.00000000000000 0.00000000000000 55.845 > 25 26 Fe 0.50000000000000 0.00000000000000 0.00000000000000 55.845 > 25 27 Fe 0.00000000000000 0.50000000000000 0.00000000000000 55.845 > 25 28 Fe 0.50000000000000 0.50000000000000 0.00000000000000 55.845 > 25 29 Fe 0.00000000000000 0.00000000000000 0.50000000000000 55.845 > 25 30 Fe 0.50000000000000 0.00000000000000 0.50000000000000 55.845 > 25 31 Fe 0.00000000000000 0.50000000000000 0.50000000000000 55.845 > 25 32 Fe 0.50000000000000 0.50000000000000 0.50000000000000 55.845 > 25 33 H 0.41938002535043 0.08061997464957 0.07294835587502 1.008 > 33 34 H 0.91938002535043 0.08061997464957 0.07294835587502 1.008 > 33 35 H 0.41938002535043 0.58061997464957 0.07294835587502 1.008 > 33 36 H 0.91938002535043 0.58061997464957 0.07294835587502 1.008 > 33 37 H 0.41938002535043 0.08061997464957 0.57294835587502 1.008 > 33 38 H 0.91938002535043 0.08061997464957 0.57294835587502 1.008 > 33 39 H 0.41938002535043 0.58061997464957 0.57294835587502 1.008 > 33 40 H 0.91938002535043 0.58061997464957 0.57294835587502 1.008 > 33 41 H 0.16123994929914 0.08061997464957 0.07294835587502 1.008 > 41 42 H 0.66123994929914 0.08061997464957 0.07294835587502 1.008 > 41 43 H 0.16123994929914 0.58061997464957 0.07294835587502 1.008 > 41 44 H 0.66123994929914 0.58061997464957 0.07294835587502 1.008 > 41 45 H 0.16123994929914 0.08061997464957 0.57294835587502 1.008 > 41 46 H 0.66123994929914 0.08061997464957 0.57294835587502 1.008 > 41 47 H 0.16123994929914 0.58061997464957 0.57294835587502 1.008 > 41 48 H 0.66123994929914 0.58061997464957 0.57294835587502 1.008 > 41 49 H 0.41938002535043 0.33876005070086 0.07294835587502 1.008 > 49 50 H 0.91938002535043 0.33876005070086 0.07294835587502 1.008 > 49 51 H 0.41938002535043 0.83876005070086 0.07294835587502 1.008 > 49 52 H 0.91938002535043 0.83876005070086 0.07294835587502 1.008 > 49 53 H 0.41938002535043 0.33876005070086 0.57294835587502 1.008 > 49 54 H 0.91938002535043 0.33876005070086 0.57294835587502 1.008 > 49 55 H 0.41938002535043 0.83876005070086 0.57294835587502 1.008 > 49 56 H 0.91938002535043 0.83876005070086 0.57294835587502 1.008 > 49 57 H 0.08061997464957 0.41938002535043 0.42705164412498 1.008 > 57 58 H 0.58061997464957 0.41938002535043 0.42705164412498 1.008 > 57 59 H 0.08061997464957 0.91938002535043 0.42705164412498 1.008 > 57 60 H 0.58061997464957 0.91938002535043 0.42705164412498 1.008 > 57 61 H 0.08061997464957 0.41938002535043 0.92705164412498 1.008 > 57 62 H 0.58061997464957 0.41938002535043 0.92705164412498 1.008 > 57 63 H 0.08061997464957 0.91938002535043 0.92705164412498 1.008 > 57 64 H 0.58061997464957 0.91938002535043 0.92705164412498 1.008 > 57 65 H 0.33876005070086 0.41938002535043 0.42705164412498 1.008 > 65 66 H 0.83876005070086 0.41938002535043 0.42705164412498 1.008 > 65 67 H 0.33876005070086 0.91938002535043 0.42705164412498 1.008 > 65 68 H 0.83876005070086 0.91938002535043 0.42705164412498 1.008 > 65 69 H 0.33876005070086 0.41938002535043 0.92705164412498 1.008 > 65 70 H 0.83876005070086 0.41938002535043 0.92705164412498 1.008 > 65 71 H 0.33876005070086 0.91938002535043 0.92705164412498 1.008 > 65 72 H 0.83876005070086 0.91938002535043 0.92705164412498 1.008 > 65 73 H 0.08061997464957 0.16123994929914 0.42705164412498 1.008 > 73 74 H 0.58061997464957 0.16123994929914 0.42705164412498 1.008 > 73 75 H 0.08061997464957 0.66123994929914 0.42705164412498 1.008 > 73 76 H 0.58061997464957 0.66123994929914 0.42705164412498 1.008 > 73 77 H 0.08061997464957 0.16123994929914 0.92705164412498 1.008 > 73 78 H 0.58061997464957 0.16123994929914 0.92705164412498 1.008 > 73 79 H 0.08061997464957 0.66123994929914 0.92705164412498 1.008 > 73 80 H 0.58061997464957 0.66123994929914 0.92705164412498 1.008 > 73 81 H 0.33333333333333 0.16666666666667 0.28997152867163 1.008 > 81 82 H 0.83333333333333 0.16666666666667 0.28997152867163 1.008 > 81 83 H 0.33333333333333 0.66666666666667 0.28997152867163 1.008 > 81 84 H 0.83333333333333 0.66666666666667 0.28997152867163 1.008 > 81 85 H 0.33333333333333 0.16666666666667 0.78997152867163 1.008 > 81 86 H 0.83333333333333 0.16666666666667 0.78997152867163 1.008 > 81 87 H 0.33333333333333 0.66666666666667 0.78997152867163 1.008 > 81 88 H 0.83333333333333 0.66666666666667 0.78997152867163 1.008 > 81 89 H 0.16666666666667 0.33333333333333 0.21002847132837 1.008 > 89 90 H 0.66666666666667 0.33333333333333 0.21002847132837 1.008 > 89 91 H 0.16666666666667 0.83333333333333 0.21002847132837 1.008 > 89 92 H 0.66666666666667 0.83333333333333 0.21002847132837 1.008 > 89 93 H 0.16666666666667 0.33333333333333 0.71002847132837 1.008 > 89 94 H 0.66666666666667 0.33333333333333 0.71002847132837 1.008 > 89 95 H 0.16666666666667 0.83333333333333 0.71002847132837 1.008 > 89 96 H 0.66666666666667 0.83333333333333 0.71002847132837 1.008 > 89----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 4.9890126 0.0000000 0.0000000 0.0000000 4.9890126 0.0000000 0.0000000 0.0000000 4.8705336-------------------------- Born effective charges -------------------------- 1 Sr 2.0242636 0.0000000 -0.0000000 -0.0000000 2.0242636 -0.0000000 -0.0000000 0.0000000 2.8689349 2 Mg 2.0863106 0.0000000 -0.0000000 -0.0000000 2.0863106 -0.0000000 -0.0000000 0.0000000 1.5467881 3 Mg 2.0863106 0.0000000 -0.0000000 -0.0000000 2.0863106 -0.0000000 -0.0000000 0.0000000 1.5467881 4 Fe -3.1042354 -0.0000000 -0.0000000 -0.0000000 -3.1042354 -0.0000000 -0.0000000 0.0000000 -2.5264222 5 H -0.3326250 0.2508479 0.3568184 0.2508479 -0.0429708 -0.2060092 0.2584115 -0.1491939 -0.2166651 6 H -0.3326250 -0.2508479 -0.3568184 -0.2508479 -0.0429708 -0.2060092 -0.2584115 -0.1491939 -0.2166651 7 H 0.1018563 -0.0000000 0.0000000 -0.0000000 -0.4774521 0.4120184 -0.0000000 0.2983878 -0.2166651 8 H -0.3326250 0.2508479 0.3568184 0.2508479 -0.0429708 -0.2060092 0.2584115 -0.1491939 -0.2166651 9 H -0.3326250 -0.2508479 -0.3568184 -0.2508479 -0.0429708 -0.2060092 -0.2584115 -0.1491939 -0.2166651 10 H 0.1018563 -0.0000000 0.0000000 -0.0000000 -0.4774521 0.4120184 -0.0000000 0.2983878 -0.2166651 11 H -0.9829311 -0.0000000 -0.0000000 -0.0000000 -0.9829311 -0.0000000 -0.0000000 0.0000000 -1.0680492 12 H -0.9829311 -0.0000000 -0.0000000 -0.0000000 -0.9829311 -0.0000000 -0.0000000 0.0000000 -1.0680492----------------------------------------------------------------------------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[ 9, 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[ 25, 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[ 33, 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[ 81, 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: 0.00000016 (xxz) 0.00000016 (xxz) 0.00000016 (xzx)fc3 was written into "fc3.hdf5".Max drift of fc2: -0.00000003 (zy) -0.00000003 (zy) 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 21:06:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 21:06:19]-------------------------Compiled with OpenMP support (max 128 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): [2 2 2]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P-3m1 (164)------------------------------ primitive cell ------------------------------Lattice vectors: a 4.441827578479971 0.000000000000000 0.000000000000000 b -2.220913789239986 3.846735522193972 0.000000000000000 c 0.000000000000000 0.000000000000000 6.473280540000000Atomic positions (fractional): 1 Sr 0.00000000000000 0.00000000000000 0.50000000000000 87.620 2 Mg 0.66666666666667 0.33333333333333 0.87627915599945 24.305 3 Mg 0.33333333333333 0.66666666666667 0.12372084400055 24.305 4 Fe 0.00000000000000 0.00000000000000 0.00000000000000 55.845 5 H 0.83876005070086 0.16123994929914 0.14589671175004 1.008 6 H 0.32247989859828 0.16123994929914 0.14589671175004 1.008 7 H 0.83876005070086 0.67752010140172 0.14589671175004 1.008 8 H 0.16123994929914 0.83876005070086 0.85410328824996 1.008 9 H 0.67752010140172 0.83876005070086 0.85410328824996 1.008 10 H 0.16123994929914 0.32247989859828 0.85410328824996 1.008 11 H 0.66666666666667 0.33333333333333 0.57994305734326 1.008 12 H 0.33333333333333 0.66666666666667 0.42005694265674 1.008-------------------------------- supercell ---------------------------------Lattice vectors: a 8.883655156959941 0.000000000000000 0.000000000000000 b -4.441827578479972 7.693471044387944 0.000000000000000 c 0.000000000000000 0.000000000000000 12.946561080000000Atomic positions (fractional): 1 Sr 0.00000000000000 0.00000000000000 0.25000000000000 87.620 > 1 2 Sr 0.50000000000000 0.00000000000000 0.25000000000000 87.620 > 1 3 Sr 0.00000000000000 0.50000000000000 0.25000000000000 87.620 > 1 4 Sr 0.50000000000000 0.50000000000000 0.25000000000000 87.620 > 1 5 Sr 0.00000000000000 0.00000000000000 0.75000000000000 87.620 > 1 6 Sr 0.50000000000000 0.00000000000000 0.75000000000000 87.620 > 1 7 Sr 0.00000000000000 0.50000000000000 0.75000000000000 87.620 > 1 8 Sr 0.50000000000000 0.50000000000000 0.75000000000000 87.620 > 1 9 Mg 0.33333333333333 0.16666666666667 0.43813957799972 24.305 > 9 10 Mg 0.83333333333333 0.16666666666667 0.43813957799972 24.305 > 9 11 Mg 0.33333333333333 0.66666666666667 0.43813957799972 24.305 > 9 12 Mg 0.83333333333333 0.66666666666667 0.43813957799972 24.305 > 9 13 Mg 0.33333333333333 0.16666666666667 0.93813957799972 24.305 > 9 14 Mg 0.83333333333333 0.16666666666667 0.93813957799972 24.305 > 9 15 Mg 0.33333333333333 0.66666666666667 0.93813957799972 24.305 > 9 16 Mg 0.83333333333333 0.66666666666667 0.93813957799972 24.305 > 9 17 Mg 0.16666666666667 0.33333333333333 0.06186042200028 24.305 > 17 18 Mg 0.66666666666667 0.33333333333333 0.06186042200028 24.305 > 17 19 Mg 0.16666666666667 0.83333333333333 0.06186042200028 24.305 > 17 20 Mg 0.66666666666667 0.83333333333333 0.06186042200028 24.305 > 17 21 Mg 0.16666666666667 0.33333333333333 0.56186042200028 24.305 > 17 22 Mg 0.66666666666667 0.33333333333333 0.56186042200028 24.305 > 17 23 Mg 0.16666666666667 0.83333333333333 0.56186042200028 24.305 > 17 24 Mg 0.66666666666667 0.83333333333333 0.56186042200028 24.305 > 17 25 Fe 0.00000000000000 0.00000000000000 0.00000000000000 55.845 > 25 26 Fe 0.50000000000000 0.00000000000000 0.00000000000000 55.845 > 25 27 Fe 0.00000000000000 0.50000000000000 0.00000000000000 55.845 > 25 28 Fe 0.50000000000000 0.50000000000000 0.00000000000000 55.845 > 25 29 Fe 0.00000000000000 0.00000000000000 0.50000000000000 55.845 > 25 30 Fe 0.50000000000000 0.00000000000000 0.50000000000000 55.845 > 25 31 Fe 0.00000000000000 0.50000000000000 0.50000000000000 55.845 > 25 32 Fe 0.50000000000000 0.50000000000000 0.50000000000000 55.845 > 25 33 H 0.41938002535043 0.08061997464957 0.07294835587502 1.008 > 33 34 H 0.91938002535043 0.08061997464957 0.07294835587502 1.008 > 33 35 H 0.41938002535043 0.58061997464957 0.07294835587502 1.008 > 33 36 H 0.91938002535043 0.58061997464957 0.07294835587502 1.008 > 33 37 H 0.41938002535043 0.08061997464957 0.57294835587502 1.008 > 33 38 H 0.91938002535043 0.08061997464957 0.57294835587502 1.008 > 33 39 H 0.41938002535043 0.58061997464957 0.57294835587502 1.008 > 33 40 H 0.91938002535043 0.58061997464957 0.57294835587502 1.008 > 33 41 H 0.16123994929914 0.08061997464957 0.07294835587502 1.008 > 41 42 H 0.66123994929914 0.08061997464957 0.07294835587502 1.008 > 41 43 H 0.16123994929914 0.58061997464957 0.07294835587502 1.008 > 41 44 H 0.66123994929914 0.58061997464957 0.07294835587502 1.008 > 41 45 H 0.16123994929914 0.08061997464957 0.57294835587502 1.008 > 41 46 H 0.66123994929914 0.08061997464957 0.57294835587502 1.008 > 41 47 H 0.16123994929914 0.58061997464957 0.57294835587502 1.008 > 41 48 H 0.66123994929914 0.58061997464957 0.57294835587502 1.008 > 41 49 H 0.41938002535043 0.33876005070086 0.07294835587502 1.008 > 49 50 H 0.91938002535043 0.33876005070086 0.07294835587502 1.008 > 49 51 H 0.41938002535043 0.83876005070086 0.07294835587502 1.008 > 49 52 H 0.91938002535043 0.83876005070086 0.07294835587502 1.008 > 49 53 H 0.41938002535043 0.33876005070086 0.57294835587502 1.008 > 49 54 H 0.91938002535043 0.33876005070086 0.57294835587502 1.008 > 49 55 H 0.41938002535043 0.83876005070086 0.57294835587502 1.008 > 49 56 H 0.91938002535043 0.83876005070086 0.57294835587502 1.008 > 49 57 H 0.08061997464957 0.41938002535043 0.42705164412498 1.008 > 57 58 H 0.58061997464957 0.41938002535043 0.42705164412498 1.008 > 57 59 H 0.08061997464957 0.91938002535043 0.42705164412498 1.008 > 57 60 H 0.58061997464957 0.91938002535043 0.42705164412498 1.008 > 57 61 H 0.08061997464957 0.41938002535043 0.92705164412498 1.008 > 57 62 H 0.58061997464957 0.41938002535043 0.92705164412498 1.008 > 57 63 H 0.08061997464957 0.91938002535043 0.92705164412498 1.008 > 57 64 H 0.58061997464957 0.91938002535043 0.92705164412498 1.008 > 57 65 H 0.33876005070086 0.41938002535043 0.42705164412498 1.008 > 65 66 H 0.83876005070086 0.41938002535043 0.42705164412498 1.008 > 65 67 H 0.33876005070086 0.91938002535043 0.42705164412498 1.008 > 65 68 H 0.83876005070086 0.91938002535043 0.42705164412498 1.008 > 65 69 H 0.33876005070086 0.41938002535043 0.92705164412498 1.008 > 65 70 H 0.83876005070086 0.41938002535043 0.92705164412498 1.008 > 65 71 H 0.33876005070086 0.91938002535043 0.92705164412498 1.008 > 65 72 H 0.83876005070086 0.91938002535043 0.92705164412498 1.008 > 65 73 H 0.08061997464957 0.16123994929914 0.42705164412498 1.008 > 73 74 H 0.58061997464957 0.16123994929914 0.42705164412498 1.008 > 73 75 H 0.08061997464957 0.66123994929914 0.42705164412498 1.008 > 73 76 H 0.58061997464957 0.66123994929914 0.42705164412498 1.008 > 73 77 H 0.08061997464957 0.16123994929914 0.92705164412498 1.008 > 73 78 H 0.58061997464957 0.16123994929914 0.92705164412498 1.008 > 73 79 H 0.08061997464957 0.66123994929914 0.92705164412498 1.008 > 73 80 H 0.58061997464957 0.66123994929914 0.92705164412498 1.008 > 73 81 H 0.33333333333333 0.16666666666667 0.28997152867163 1.008 > 81 82 H 0.83333333333333 0.16666666666667 0.28997152867163 1.008 > 81 83 H 0.33333333333333 0.66666666666667 0.28997152867163 1.008 > 81 84 H 0.83333333333333 0.66666666666667 0.28997152867163 1.008 > 81 85 H 0.33333333333333 0.16666666666667 0.78997152867163 1.008 > 81 86 H 0.83333333333333 0.16666666666667 0.78997152867163 1.008 > 81 87 H 0.33333333333333 0.66666666666667 0.78997152867163 1.008 > 81 88 H 0.83333333333333 0.66666666666667 0.78997152867163 1.008 > 81 89 H 0.16666666666667 0.33333333333333 0.21002847132837 1.008 > 89 90 H 0.66666666666667 0.33333333333333 0.21002847132837 1.008 > 89 91 H 0.16666666666667 0.83333333333333 0.21002847132837 1.008 > 89 92 H 0.66666666666667 0.83333333333333 0.21002847132837 1.008 > 89 93 H 0.16666666666667 0.33333333333333 0.71002847132837 1.008 > 89 94 H 0.66666666666667 0.33333333333333 0.71002847132837 1.008 > 89 95 H 0.16666666666667 0.83333333333333 0.71002847132837 1.008 > 89 96 H 0.66666666666667 0.83333333333333 0.71002847132837 1.008 > 89----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 4.9890126 0.0000000 0.0000000 0.0000000 4.9890126 0.0000000 0.0000000 0.0000000 4.8705336-------------------------- Born effective charges -------------------------- 1 Sr 2.0242636 0.0000000 -0.0000000 -0.0000000 2.0242636 -0.0000000 -0.0000000 0.0000000 2.8689349 2 Mg 2.0863106 0.0000000 -0.0000000 -0.0000000 2.0863106 -0.0000000 -0.0000000 0.0000000 1.5467881 3 Mg 2.0863106 0.0000000 -0.0000000 -0.0000000 2.0863106 -0.0000000 -0.0000000 0.0000000 1.5467881 4 Fe -3.1042354 -0.0000000 -0.0000000 -0.0000000 -3.1042354 -0.0000000 -0.0000000 0.0000000 -2.5264222 5 H -0.3326250 0.2508479 0.3568184 0.2508479 -0.0429708 -0.2060092 0.2584115 -0.1491939 -0.2166651 6 H -0.3326250 -0.2508479 -0.3568184 -0.2508479 -0.0429708 -0.2060092 -0.2584115 -0.1491939 -0.2166651 7 H 0.1018563 -0.0000000 0.0000000 -0.0000000 -0.4774521 0.4120184 -0.0000000 0.2983878 -0.2166651 8 H -0.3326250 0.2508479 0.3568184 0.2508479 -0.0429708 -0.2060092 0.2584115 -0.1491939 -0.2166651 9 H -0.3326250 -0.2508479 -0.3568184 -0.2508479 -0.0429708 -0.2060092 -0.2584115 -0.1491939 -0.2166651 10 H 0.1018563 -0.0000000 0.0000000 -0.0000000 -0.4774521 0.4120184 -0.0000000 0.2983878 -0.2166651 11 H -0.9829311 -0.0000000 -0.0000000 -0.0000000 -0.9829311 -0.0000000 -0.0000000 0.0000000 -1.0680492 12 H -0.9829311 -0.0000000 -0.0000000 -0.0000000 -0.9829311 -0.0000000 -0.0000000 0.0000000 -1.0680492----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000016 (xxz) 0.00000016 (xxz) 0.00000016 (xzx)Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 13 13 8 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.87, Number of G-points: 299, Lambda: 0.20Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/147) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 147Calculating 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 3.519 ( 0.000 0.000 0.000) 0.000 3.519 ( 0.000 0.000 0.000) 0.000 5.013 ( 0.000 0.000 0.000) 0.000 7.504 ( 0.000 0.000 0.000) 0.000 7.504 ( 0.000 0.000 0.000) 0.000 7.600 ( 0.000 0.000 0.000) 0.000 7.600 ( 0.000 0.000 0.000) 0.000 7.630 ( 0.000 0.000 0.000) 0.000 8.677 ( 0.000 0.000 0.000) 0.000 12.636 ( 0.000 0.000 0.000) 0.000 16.648 ( 0.000 0.000 0.000) 0.000 16.648 ( 0.000 0.000 0.000) 0.000 18.800 ( 0.000 0.000 0.000) 0.000 18.800 ( 0.000 0.000 0.000) 0.000 22.782 ( 0.000 0.000 0.000) 0.000 24.010 ( 0.000 0.000 0.000) 0.000 24.010 ( 0.000 0.000 0.000) 0.000 25.258 ( 0.000 0.000 0.000) 0.000 25.258 ( 0.000 0.000 0.000) 0.000 26.928 ( 0.000 0.000 0.000) 0.000 26.928 ( 0.000 0.000 0.000) 0.000 27.918 ( 0.000 0.000 0.000) 0.000 29.225 ( 0.000 0.000 0.000) 0.000 29.225 ( 0.000 0.000 0.000) 0.000 29.370 ( 0.000 0.000 0.000) 0.000 31.681 ( 0.000 0.000 0.000) 0.000 33.102 ( 0.000 0.000 0.000) 0.000 51.856 ( 0.000 0.000 0.000) 0.000 51.856 ( 0.000 0.000 0.000) 0.000 54.102 ( 0.000 0.000 0.000) 0.000 55.293 ( 0.000 0.000 0.000) 0.000 55.293 ( 0.000 0.000 0.000) 0.000 55.809 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/147) =======================q-point: ( 0.08 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 371Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.772 ( 33.037 19.074 -1.551) 38.180 0.867 ( 35.783 20.659 -1.421) 41.343 1.332 ( 54.096 31.233 1.563) 62.485 3.595 ( 6.711 3.874 1.454) 7.884 3.794 ( 9.776 5.644 -1.224) 11.355 4.989 ( -1.988 -1.148 -1.006) 2.507 7.277 ( -11.668 -6.737 0.029) 13.474 7.561 ( -3.106 -1.793 3.502) 5.012 7.653 ( 1.991 1.149 -0.031) 2.299 7.804 ( 9.724 5.614 -0.043) 11.229 8.663 ( -1.599 -0.923 -7.516) 7.740 9.634 ( 4.093 2.363 4.877) 6.791 12.835 ( 16.702 9.643 0.008) 19.286 16.675 ( 2.429 1.402 0.509) 2.850 16.784 ( 11.623 6.710 -0.046) 13.421 18.894 ( 7.921 4.573 -2.236) 9.416 22.641 ( -2.463 -1.422 3.253) 4.321 22.804 ( 1.790 1.034 -0.009) 2.067 23.950 ( -5.104 -2.947 1.395) 6.056 23.990 ( -0.694 -0.401 -1.127) 1.383 25.258 ( -0.045 -0.026 0.074) 0.090 25.349 ( 1.033 0.596 -0.426) 1.266 26.868 ( -5.155 -2.976 -0.036) 5.952 27.074 ( -2.187 -1.262 0.404) 2.557 27.872 ( -3.811 -2.200 -0.525) 4.432 29.192 ( -2.760 -1.593 -0.155) 3.190 29.204 ( -1.927 -1.113 0.204) 2.234 29.343 ( -2.125 -1.227 -0.033) 2.454 31.693 ( 1.005 0.580 -1.010) 1.539 33.041 ( -5.189 -2.996 -0.006) 5.992 51.847 ( -0.815 -0.470 -0.179) 0.958 52.728 ( 2.859 1.651 1.144) 3.494 53.875 ( -16.693 -9.638 -4.272) 19.744 55.299 ( 0.436 0.252 0.175) 0.533 55.474 ( 12.879 7.435 2.910) 15.153 55.786 ( -1.894 -1.093 0.085) 2.188======================= Grid point 2 (3/147) =======================q-point: ( 0.15 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 371Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.516 ( 31.191 18.008 -1.288) 36.039 1.613 ( 28.092 16.219 -2.046) 32.502 2.397 ( 36.080 20.831 0.621) 41.667 3.836 ( 14.239 8.221 2.844) 16.686 4.181 ( 24.507 14.149 -2.172) 28.381 4.931 ( -2.610 -1.507 -0.388) 3.039 7.010 ( -11.207 -6.470 -0.145) 12.942 7.472 ( -4.317 -2.492 4.388) 6.641 7.725 ( 4.347 2.510 -0.240) 5.025 8.006 ( 7.677 4.433 0.033) 8.865 8.589 ( -4.840 -2.794 -7.641) 9.466 9.762 ( 6.488 3.746 4.571) 8.776 13.363 ( 27.675 15.978 0.070) 31.957 16.770 ( 6.104 3.524 0.527) 7.068 17.167 ( 20.993 12.120 0.018) 24.241 19.150 ( 13.792 7.963 -3.604) 16.329 22.476 ( -12.875 -7.434 5.011) 15.689 22.861 ( 3.089 1.784 -0.066) 3.568 23.787 ( -8.697 -5.021 2.427) 10.331 24.049 ( 6.933 4.003 -1.381) 8.123 25.252 ( -0.650 -0.375 0.229) 0.784 25.382 ( 1.802 1.040 -0.779) 2.222 26.695 ( -9.602 -5.544 -0.062) 11.088 26.990 ( -5.373 -3.102 0.741) 6.248 27.756 ( -5.847 -3.376 -0.921) 6.814 29.101 ( -5.001 -2.887 -0.289) 5.782 29.125 ( -5.061 -2.922 0.503) 5.865 29.288 ( -2.285 -1.319 -0.144) 2.643 31.725 ( 1.776 1.025 -1.758) 2.701 32.872 ( -9.159 -5.288 -0.042) 10.576 51.820 ( -1.444 -0.834 -0.312) 1.697 52.789 ( 0.531 0.307 3.307) 3.363 53.471 ( -15.097 -8.716 -6.909) 18.751 55.313 ( 0.770 0.445 0.306) 0.940 55.682 ( -2.275 -1.313 -0.120) 2.629 55.829 ( 11.797 6.811 3.494) 14.063======================= Grid point 3 (4/147) =======================q-point: ( 0.23 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 371Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.146 ( 18.126 10.465 -2.406) 21.069 2.200 ( 27.682 15.982 -1.368) 31.994 2.984 ( 16.485 9.518 -1.144) 19.070 4.245 ( 20.718 11.962 3.694) 24.207 4.771 ( 9.688 5.593 -8.097) 13.809 4.998 ( 22.785 13.155 7.760) 27.430 6.764 ( -10.143 -5.856 -0.459) 11.721 7.364 ( -5.154 -2.976 3.750) 7.035 7.863 ( 7.856 4.536 -0.743) 9.101 8.155 ( 5.236 3.023 0.093) 6.047 8.450 ( -6.799 -3.926 -4.067) 8.842 9.906 ( 5.379 3.105 1.645) 6.425 14.040 ( 29.223 16.872 0.221) 33.745 16.974 ( 11.920 6.882 0.024) 13.764 17.723 ( 26.390 15.236 0.253) 30.473 19.505 ( 16.389 9.462 -3.785) 19.299 22.055 ( -22.407 -12.937 4.579) 26.275 22.937 ( 3.099 1.789 -0.158) 3.582 23.569 ( -9.610 -5.548 2.843) 11.455 24.307 ( 14.385 8.305 -0.468) 16.617 25.222 ( -2.109 -1.217 0.432) 2.473 25.428 ( 2.027 1.170 -1.019) 2.552 26.438 ( -12.242 -7.068 -0.075) 14.136 26.818 ( -9.483 -5.475 0.878) 10.985 27.624 ( -5.135 -2.965 -1.019) 6.016 28.969 ( -6.239 -3.602 -0.375) 7.214 28.978 ( -7.372 -4.256 0.662) 8.539 29.241 ( -1.804 -1.042 -0.122) 2.087 31.772 ( 2.141 1.236 -2.046) 3.208 32.634 ( -10.960 -6.328 -0.129) 12.656 51.783 ( -1.745 -1.007 -0.367) 2.048 52.621 ( -14.843 -8.570 2.691) 17.349 53.344 ( 4.294 2.479 -5.857) 7.674 55.333 ( 0.924 0.534 0.364) 1.128 55.564 ( -6.634 -3.830 -0.283) 7.665 56.110 ( 11.103 6.411 3.185) 13.211======================= Grid point 4 (5/147) =======================q-point: ( 0.31 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 371Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.468 ( 10.283 5.937 -2.090) 12.057 2.776 ( 21.844 12.612 -2.001) 25.302 3.246 ( 7.525 4.345 -2.125) 8.945 4.756 ( 22.715 13.114 3.722) 26.492 4.795 ( 0.062 0.036 -0.711) 0.715 5.697 ( 28.454 16.428 2.892) 32.983 6.538 ( -9.575 -5.528 -0.907) 11.093 7.225 ( -7.086 -4.091 3.117) 8.756 8.091 ( 11.031 6.368 -1.397) 12.813 8.250 ( 2.993 1.728 0.108) 3.457 8.306 ( -4.217 -2.435 -0.848) 4.943 9.990 ( 1.640 0.947 -0.817) 2.062 14.642 ( 21.807 12.590 0.377) 25.183 17.325 ( 18.139 10.473 -0.608) 20.954 18.346 ( 26.607 15.361 0.622) 30.729 19.879 ( 15.446 8.918 -2.964) 18.080 21.504 ( -23.995 -13.854 3.249) 27.897 22.980 ( -0.020 -0.012 -0.013) 0.027 23.377 ( -6.095 -3.519 2.326) 7.412 24.661 ( 15.224 8.789 0.221) 17.580 25.147 ( -4.553 -2.629 0.570) 5.288 25.468 ( 1.271 0.734 -1.092) 1.829 26.156 ( -11.478 -6.627 -0.069) 13.253 26.568 ( -11.521 -6.651 0.800) 13.327 27.528 ( -3.201 -1.848 -0.815) 3.786 28.802 ( -7.508 -4.335 0.662) 8.694 28.824 ( -6.098 -3.521 -0.381) 7.052 29.203 ( -1.490 -0.860 -0.030) 1.720 31.819 ( 1.794 1.036 -1.768) 2.723 32.387 ( -9.992 -5.769 -0.286) 11.541 51.743 ( -1.646 -0.951 -0.337) 1.931 52.240 ( -16.173 -9.338 0.665) 18.687 53.545 ( 11.277 6.511 -3.076) 13.380 55.354 ( 0.867 0.500 0.337) 1.056 55.387 ( -8.551 -4.937 -0.189) 9.876 56.328 ( 7.728 4.462 2.361) 9.231======================= Grid point 5 (6/147) =======================q-point: ( 0.38 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 371Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.643 ( 5.232 3.021 -1.352) 6.191 3.189 ( 13.530 7.811 -2.542) 15.828 3.367 ( 3.364 1.942 -1.792) 4.278 4.823 ( 2.216 1.279 2.025) 3.264 5.262 ( 20.594 11.890 3.276) 24.004 6.227 ( 17.479 10.092 0.496) 20.189 6.311 ( -10.400 -6.005 -1.453) 12.097 7.037 ( -8.987 -5.189 2.944) 10.787 8.147 ( -3.037 -1.754 -0.517) 3.545 8.298 ( 1.351 0.780 0.079) 1.562 8.475 ( 14.699 8.486 0.037) 16.973 9.979 ( -2.417 -1.396 -1.874) 3.362 15.026 ( 11.647 6.724 0.344) 13.453 17.762 ( 17.991 10.387 -0.821) 20.790 18.905 ( 20.722 11.964 0.905) 23.945 20.193 ( 11.244 6.492 -1.650) 13.088 21.002 ( -18.432 -10.642 1.643) 21.347 22.923 ( -4.138 -2.389 0.484) 4.803 23.309 ( -0.423 -0.244 0.952) 1.070 24.971 ( 11.017 6.361 0.339) 12.726 25.016 ( -6.283 -3.627 0.508) 7.272 25.478 ( -0.507 -0.293 -0.875) 1.053 25.937 ( -7.099 -4.098 -0.032) 8.197 26.325 ( -8.674 -5.008 0.594) 10.034 27.473 ( -1.644 -0.949 -0.504) 1.964 28.647 ( -5.590 -3.228 0.504) 6.475 28.699 ( -4.463 -2.577 -0.289) 5.161 29.174 ( -1.029 -0.594 0.027) 1.188 31.846 ( 0.359 0.207 -0.973) 1.057 32.196 ( -6.112 -3.529 -0.486) 7.074 51.710 ( -1.169 -0.675 -0.234) 1.370 51.920 ( -11.041 -6.375 0.091) 12.750 53.817 ( 11.492 6.635 -1.625) 13.369 55.180 ( -8.946 -5.165 -0.062) 10.331 55.371 ( 0.612 0.354 0.235) 0.745 56.468 ( 4.445 2.566 1.431) 5.328======================= Grid point 6 (7/147) =======================q-point: ( 0.46 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 371Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.720 ( 1.613 0.931 -0.462) 1.919 3.393 ( 4.063 2.346 -2.222) 5.192 3.416 ( 1.279 0.738 0.290) 1.505 4.875 ( 1.608 0.929 1.353) 2.298 5.692 ( 16.339 9.433 2.617) 19.048 6.046 ( -12.557 -7.250 -1.993) 14.636 6.531 ( 9.164 5.291 -1.383) 10.672 6.832 ( -7.773 -4.488 2.410) 9.293 8.096 ( -1.133 -0.654 -0.026) 1.308 8.317 ( 0.358 0.207 0.028) 0.414 8.762 ( 7.822 4.516 0.239) 9.035 9.908 ( -2.553 -1.474 -1.079) 3.139 15.197 ( 3.483 2.011 0.131) 4.024 18.074 ( 7.605 4.391 -0.384) 8.790 19.252 ( 8.232 4.753 0.537) 9.521 20.376 ( 4.207 2.429 -0.470) 4.881 20.697 ( -7.183 -4.147 0.361) 8.302 22.842 ( -2.134 -1.232 0.247) 2.477 23.315 ( 0.366 0.211 0.206) 0.470 24.895 ( -3.200 -1.847 0.206) 3.701 25.148 ( 3.975 2.295 0.129) 4.592 25.456 ( -0.907 -0.524 -0.318) 1.095 25.832 ( -2.166 -1.250 -0.002) 2.501 26.191 ( -2.842 -1.641 0.218) 3.289 27.449 ( -0.505 -0.292 -0.170) 0.607 28.556 ( -2.073 -1.197 0.191) 2.401 28.627 ( -1.640 -0.947 -0.108) 1.897 29.157 ( -0.370 -0.214 0.019) 0.428 31.839 ( -0.516 -0.298 -0.214) 0.633 32.111 ( -1.550 -0.895 -0.313) 1.817 51.691 ( -0.422 -0.244 -0.083) 0.495 51.745 ( -3.877 -2.238 -0.007) 4.476 54.031 ( 5.744 3.316 -0.547) 6.655 55.009 ( -4.768 -2.753 0.019) 5.506 55.381 ( 0.221 0.127 0.084) 0.268 56.536 ( 1.440 0.832 0.477) 1.730======================= Grid point 14 (8/147) =======================q-point: ( 0.08 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 371Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.309 ( 18.031 31.231 0.000) 36.063 1.452 ( 18.300 31.697 0.000) 36.600 2.150 ( 24.110 41.759 0.000) 48.219 3.758 ( 7.284 12.617 0.000) 14.569 4.040 ( 11.532 19.974 0.000) 23.064 4.945 ( -1.723 -2.984 0.000) 3.446 7.104 ( -5.607 -9.711 0.000) 11.214 7.526 ( -1.654 -2.864 0.000) 3.307 7.702 ( 2.174 3.766 0.000) 4.349 7.847 ( 0.172 0.297 0.000) 0.343 8.697 ( 1.695 2.936 0.000) 3.390 9.700 ( 2.489 4.312 0.000) 4.979 13.200 ( 14.925 25.850 0.000) 29.849 16.730 ( 2.470 4.278 0.000) 4.940 17.047 ( 11.089 19.206 0.000) 22.177 19.058 ( 6.641 11.502 0.000) 13.281 22.597 ( -2.815 -4.875 0.000) 5.630 22.843 ( 1.633 2.828 0.000) 3.265 23.728 ( -7.366 -12.758 0.000) 14.732 24.083 ( 3.145 5.447 0.000) 6.290 25.255 ( -0.225 -0.389 0.000) 0.449 25.372 ( 0.956 1.656 0.000) 1.912 26.745 ( -5.256 -9.104 0.000) 10.512 27.030 ( -1.960 -3.395 0.000) 3.920 27.788 ( -3.450 -5.975 0.000) 6.899 29.119 ( -3.157 -5.468 0.000) 6.313 29.170 ( -1.527 -2.645 0.000) 3.054 29.298 ( -1.705 -2.954 0.000) 3.411 31.715 ( 0.913 1.581 0.000) 1.826 32.926 ( -4.784 -8.286 0.000) 9.568 51.828 ( -0.768 -1.330 0.000) 1.536 52.798 ( 2.814 4.874 0.000) 5.628 53.543 ( -11.986 -20.760 0.000) 23.971 55.329 ( 0.809 1.401 0.000) 1.618 55.695 ( 7.802 13.514 0.000) 15.604 55.744 ( -1.654 -2.866 0.000) 3.309======================= Grid point 15 (9/147) =======================q-point: ( 0.15 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 677Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.933 ( 20.875 22.187 -0.784) 30.474 2.035 ( 17.083 23.555 -1.214) 29.123 2.818 ( 17.017 18.589 -0.262) 25.203 4.098 ( 13.975 17.836 1.945) 22.742 4.603 ( 23.172 27.299 -2.982) 35.931 4.890 ( 0.276 -1.997 2.236) 3.011 6.901 ( -9.344 -4.639 -0.337) 10.437 7.444 ( -5.673 -0.324 3.220) 6.531 7.791 ( 3.833 1.419 -0.490) 4.116 7.868 ( 9.785 -10.456 -1.456) 14.394 8.728 ( -7.088 11.546 -2.351) 13.751 9.803 ( 6.169 0.437 1.714) 6.418 13.813 ( 22.782 28.104 0.087) 36.178 16.860 ( 7.295 5.554 0.123) 9.170 17.524 ( 18.684 22.845 0.085) 29.513 19.335 ( 12.236 10.008 -1.992) 15.932 22.372 ( -18.529 -4.112 2.636) 19.162 22.911 ( 2.532 3.112 -0.055) 4.013 23.498 ( -0.869 -18.573 1.215) 18.633 24.241 ( 6.253 11.506 -0.259) 13.098 25.238 ( -1.112 -1.165 0.204) 1.624 25.412 ( 1.529 1.850 -0.517) 2.455 26.518 ( -8.465 -11.650 -0.029) 14.401 26.927 ( -6.402 -3.428 0.487) 7.278 27.651 ( -4.255 -6.943 -0.586) 8.164 28.985 ( -4.600 -7.339 0.021) 8.661 29.087 ( -5.424 -2.022 0.152) 5.790 29.239 ( -1.085 -3.523 -0.103) 3.688 31.754 ( 1.583 1.760 -1.083) 2.603 32.722 ( -8.039 -9.357 -0.049) 12.336 51.796 ( -1.258 -1.551 -0.188) 2.005 52.833 ( -10.915 3.701 3.701) 12.106 53.198 ( 2.090 -16.893 -5.462) 17.877 55.341 ( -0.711 0.722 0.120) 1.020 55.664 ( -5.303 0.147 -0.506) 5.329 55.978 ( 11.062 8.021 2.193) 13.838======================= Grid point 16 (10/147) =======================q-point: ( 0.23 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 677Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.374 ( 11.037 12.089 -1.577) 16.445 2.578 ( 19.247 20.256 -1.480) 27.981 3.154 ( 8.942 6.966 -1.345) 11.414 4.559 ( 16.523 16.852 2.704) 23.755 4.829 ( -0.214 4.530 -2.042) 4.974 5.386 ( 28.511 22.447 3.172) 36.426 6.693 ( -11.088 -1.388 -0.683) 11.195 7.319 ( -7.869 -1.957 3.284) 8.748 7.841 ( 11.497 -15.132 -1.484) 19.061 8.020 ( 10.308 4.369 -0.686) 11.217 8.684 ( -13.175 15.242 -0.845) 20.164 9.900 ( 6.216 -3.558 0.094) 7.163 14.477 ( 20.332 26.303 0.261) 33.247 17.112 ( 14.982 6.994 -0.322) 16.537 18.111 ( 21.731 22.199 0.362) 31.067 19.656 ( 15.337 5.205 -2.205) 16.345 21.917 ( -28.546 -1.576 2.386) 28.689 22.975 ( 1.200 1.780 0.008) 2.147 23.325 ( 1.211 -15.874 2.083) 16.056 24.523 ( 11.721 11.714 -0.044) 16.571 25.186 ( -2.929 -2.439 0.442) 3.837 25.456 ( 1.391 1.549 -0.836) 2.244 26.244 ( -9.087 -11.254 -0.039) 14.464 26.734 ( -11.764 -3.275 0.697) 12.231 27.522 ( -2.043 -7.258 -0.763) 7.578 28.825 ( -4.872 -7.533 0.154) 8.972 28.950 ( -8.004 -1.428 0.071) 8.131 29.192 ( -0.148 -3.858 -0.059) 3.861 31.801 ( 1.763 1.676 -1.456) 2.835 32.479 ( -8.924 -8.964 -0.158) 12.650 51.757 ( -1.378 -1.466 -0.253) 2.028 52.492 ( -20.632 -4.818 1.304) 21.227 53.302 ( 15.992 -5.478 -3.249) 17.214 55.308 ( -1.533 -4.253 0.199) 4.525 55.577 ( -7.525 5.726 -0.444) 9.467 56.221 ( 9.389 4.666 2.251) 10.724======================= Grid point 17 (11/147) =======================q-point: ( 0.31 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 677Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.609 ( 5.250 7.881 -1.336) 9.563 3.050 ( 14.597 13.947 -2.358) 20.326 3.313 ( 4.912 2.094 -1.589) 5.571 4.776 ( 3.682 -0.163 1.605) 4.020 5.133 ( 14.418 22.351 2.294) 26.697 6.006 ( 20.957 13.699 1.390) 25.076 6.485 ( -12.472 0.109 -1.059) 12.517 7.129 ( -8.930 -6.315 2.920) 11.320 7.912 ( 12.312 -11.975 -0.816) 17.195 8.295 ( 13.622 8.080 -0.656) 15.851 8.588 ( -14.178 13.639 0.322) 19.676 9.932 ( 3.108 -6.413 -1.431) 7.269 14.989 ( 10.191 21.944 0.368) 24.197 17.508 ( 20.866 7.917 -0.806) 22.332 18.675 ( 20.222 15.629 0.783) 25.570 19.942 ( 15.167 -2.335 -1.264) 15.398 21.424 ( -28.411 4.775 1.087) 28.831 22.954 ( -2.692 -3.407 0.720) 4.401 23.252 ( 3.547 -6.852 1.163) 7.803 24.837 ( 11.832 8.269 0.099) 14.436 25.087 ( -5.042 -2.976 0.649) 5.890 25.482 ( 0.149 0.560 -0.920) 1.087 26.009 ( -6.853 -6.804 -0.030) 9.658 26.478 ( -13.141 -2.960 0.659) 13.486 27.439 ( 0.588 -7.092 -0.606) 7.142 28.679 ( -4.005 -5.707 0.308) 6.979 28.796 ( -7.823 -1.119 -0.107) 7.903 29.156 ( 0.433 -3.842 0.020) 3.867 31.841 ( 0.972 1.219 -1.139) 1.931 32.256 ( -6.875 -7.114 -0.343) 9.899 51.723 ( -1.107 -0.899 -0.212) 1.442 52.120 ( -17.011 -2.848 0.245) 17.249 53.549 ( 17.968 -5.643 -1.758) 18.915 55.197 ( -3.803 -7.884 0.079) 8.753 55.530 ( -7.490 10.645 -0.200) 13.017 56.394 ( 6.655 2.102 1.677) 7.178======================= Grid point 18 (12/147) =======================q-point: ( 0.38 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 677Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.730 ( 1.263 5.482 -0.716) 5.671 3.342 ( 6.737 6.647 -3.619) 10.132 3.386 ( 2.852 0.337 0.494) 2.914 4.841 ( 3.241 1.042 2.157) 4.031 5.587 ( 12.841 19.672 2.212) 23.596 6.252 ( -14.849 0.186 -1.313) 14.908 6.392 ( 12.976 6.278 -0.894) 14.443 6.902 ( -8.127 -8.472 2.823) 12.074 8.013 ( 8.072 -4.413 -0.321) 9.205 8.468 ( -10.607 9.077 0.009) 13.961 8.619 ( 12.407 5.317 0.366) 13.503 9.887 ( 0.301 -7.186 -1.588) 7.365 15.270 ( 0.010 17.380 0.252) 17.382 17.919 ( 16.104 5.677 -0.766) 17.092 19.084 ( 14.548 4.317 0.944) 15.205 20.109 ( 11.594 -11.112 -0.278) 16.062 21.081 ( -21.239 14.310 -0.051) 25.610 22.861 ( -2.507 -3.790 0.689) 4.596 23.271 ( 3.201 -2.978 0.319) 4.384 24.958 ( -4.425 -0.878 0.049) 4.511 25.084 ( 6.482 4.327 0.548) 7.813 25.470 ( -1.267 -0.472 -0.662) 1.505 25.878 ( -3.877 -1.276 -0.008) 4.082 26.261 ( -7.950 -1.934 0.426) 8.193 27.396 ( 2.345 -6.712 -0.322) 7.118 28.583 ( -2.366 -2.217 0.342) 3.260 28.671 ( -4.996 -0.950 -0.219) 5.090 29.131 ( 1.085 -3.593 0.039) 3.754 31.852 ( -0.708 0.466 -0.418) 0.945 32.117 ( -2.327 -4.239 -0.454) 4.858 51.706 ( -0.361 0.492 -0.102) 0.619 51.862 ( -11.164 0.490 -0.019) 11.175 53.780 ( 16.588 -9.943 -0.818) 19.357 55.049 ( -4.456 -5.616 0.019) 7.169 55.519 ( -6.931 11.671 -0.050) 13.574 56.495 ( 3.775 0.086 0.873) 3.875======================= Grid point 19 (13/147) =======================q-point: ( 0.46 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 371Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.767 ( -2.080 3.602 0.000) 4.159 3.399 ( 0.983 -1.702 -0.000) 1.966 3.445 ( -1.113 1.927 -0.000) 2.226 4.881 ( 0.092 -0.160 -0.000) 0.184 5.957 ( -6.794 11.768 -0.000) 13.588 5.966 ( -2.241 3.881 0.000) 4.481 6.582 ( 0.702 -1.216 0.000) 1.404 6.734 ( 2.193 -3.798 0.000) 4.386 8.070 ( 1.237 -2.143 0.000) 2.474 8.409 ( -4.806 8.324 -0.000) 9.612 8.773 ( 1.852 -3.209 0.000) 3.705 9.843 ( 2.785 -4.825 -0.000) 5.571 15.354 ( -7.696 13.330 -0.000) 15.392 18.099 ( 1.046 -1.811 -0.000) 2.091 19.237 ( 3.597 -6.230 -0.000) 7.193 20.144 ( 8.700 -15.069 0.000) 17.400 20.974 ( -12.194 21.120 0.000) 24.387 22.818 ( 0.796 -1.378 -0.000) 1.592 23.285 ( 1.741 -3.016 0.000) 3.482 24.909 ( -1.831 3.172 0.000) 3.663 25.167 ( 0.133 -0.231 -0.000) 0.266 25.452 ( -0.049 0.085 0.000) 0.099 25.839 ( -1.119 1.937 0.000) 2.237 26.182 ( -0.433 0.751 -0.000) 0.867 27.383 ( 3.568 -6.180 0.000) 7.136 28.552 ( -0.498 0.862 -0.000) 0.995 28.620 ( -0.148 0.256 -0.000) 0.295 29.123 ( 1.844 -3.193 0.000) 3.687 31.843 ( -0.409 0.709 -0.000) 0.819 32.080 ( 1.212 -2.100 0.000) 2.425 51.723 ( 0.007 -0.011 0.000) 0.013 51.750 ( -3.480 6.027 0.000) 6.959 53.882 ( 9.468 -16.399 -0.000) 18.936 54.973 ( 0.358 -0.619 -0.000) 0.715 55.518 ( -6.775 11.735 0.000) 13.550 56.527 ( 0.942 -1.632 -0.000) 1.884======================= Grid point 29 (14/147) =======================q-point: ( 0.15 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 371Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.335 ( 9.745 16.879 0.000) 19.490 2.517 ( 14.031 24.302 0.000) 28.062 3.106 ( 6.039 10.460 0.000) 12.079 4.504 ( 11.506 19.929 0.000) 23.012 4.868 ( 1.942 3.364 0.000) 3.884 5.229 ( 18.428 31.918 0.000) 36.856 6.808 ( -2.920 -5.057 0.000) 5.840 7.460 ( 0.359 0.622 0.000) 0.719 7.552 ( -7.385 -12.791 0.000) 14.770 7.955 ( 5.269 9.125 0.000) 10.537 8.912 ( 3.217 5.572 0.000) 6.435 9.796 ( -0.445 -0.771 0.000) 0.890 14.437 ( 18.918 32.766 0.000) 37.835 17.007 ( 5.601 9.702 0.000) 11.203 18.035 ( 15.529 26.897 0.000) 31.059 19.538 ( 5.788 10.025 0.000) 11.576 22.234 ( -6.511 -11.277 0.000) 13.021 22.982 ( 2.162 3.744 0.000) 4.323 23.156 ( -7.909 -13.699 0.000) 15.818 24.485 ( 7.462 12.925 0.000) 14.924 25.199 ( -1.623 -2.811 0.000) 3.246 25.452 ( 1.153 1.997 0.000) 2.306 26.263 ( -7.440 -12.886 0.000) 14.880 26.835 ( -3.574 -6.190 0.000) 7.148 27.493 ( -4.792 -8.299 0.000) 9.583 28.830 ( -4.520 -7.829 0.000) 9.040 29.029 ( -2.403 -4.162 0.000) 4.805 29.158 ( -2.329 -4.034 0.000) 4.658 31.794 ( 1.259 2.181 0.000) 2.518 32.512 ( -6.514 -11.282 0.000) 13.027 51.762 ( -1.027 -1.778 0.000) 2.053 52.758 ( -9.550 -16.541 0.000) 19.100 53.018 ( 2.883 4.993 0.000) 5.766 55.304 ( -2.450 -4.244 0.000) 4.901 55.692 ( 1.255 2.174 0.000) 2.510 56.145 ( 4.814 8.339 0.000) 9.629======================= Grid point 30 (15/147) =======================q-point: ( 0.23 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 677Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.606 ( 6.104 10.753 -0.509) 12.375 2.974 ( 12.867 18.651 -1.139) 22.687 3.257 ( 4.011 3.371 -0.531) 5.267 4.720 ( 3.176 2.185 0.751) 3.927 5.158 ( 12.027 24.819 0.520) 27.584 5.819 ( 18.198 19.657 0.866) 26.801 6.691 ( -8.107 0.725 -0.505) 8.155 7.234 ( -11.813 -8.768 2.093) 14.860 7.585 ( 12.215 -5.999 -1.059) 13.650 8.178 ( 9.352 9.649 -0.392) 13.443 8.934 ( -8.847 9.129 0.145) 12.713 9.781 ( 3.535 -7.734 -0.557) 8.522 15.057 ( 14.232 30.463 0.185) 33.624 17.268 ( 14.029 9.145 -0.376) 16.750 18.544 ( 14.933 19.377 0.323) 24.466 19.724 ( 8.286 2.062 -0.416) 8.549 21.927 ( -20.838 0.719 -0.032) 20.850 22.935 ( -2.204 -10.170 1.438) 10.505 23.085 ( 6.120 -2.388 -0.161) 6.571 24.751 ( 8.915 11.024 -0.048) 14.177 25.125 ( -3.064 -3.473 0.314) 4.642 25.485 ( 0.566 1.126 -0.413) 1.326 26.038 ( -5.484 -8.360 -0.007) 9.998 26.666 ( -10.068 -4.070 0.377) 10.866 27.344 ( -1.286 -10.140 -0.367) 10.228 28.686 ( -3.681 -6.091 0.108) 7.117 28.916 ( -6.713 -2.053 -0.037) 7.020 29.093 ( 0.448 -5.813 0.017) 5.830 31.837 ( 1.254 1.888 -0.522) 2.326 32.289 ( -6.566 -9.631 -0.119) 11.657 51.729 ( -0.863 -1.182 -0.081) 1.466 52.407 ( -16.853 -4.161 0.356) 17.363 53.177 ( 13.961 -5.919 -0.977) 15.195 55.192 ( -3.743 -6.558 0.044) 7.551 55.734 ( -2.796 8.589 -0.375) 9.041 56.300 ( 6.069 3.269 0.960) 6.960======================= Grid point 31 (16/147) =======================q-point: ( 0.31 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 677Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.772 ( 2.272 8.260 -0.427) 8.577 3.301 ( 6.404 8.345 -5.707) 11.967 3.333 ( 4.323 2.305 3.206) 5.855 4.796 ( 3.621 2.494 1.743) 4.730 5.614 ( 10.604 24.296 0.853) 26.523 6.230 ( 13.179 8.683 0.070) 15.783 6.538 ( -13.123 5.404 -0.771) 14.213 6.953 ( -8.966 -10.993 2.200) 14.356 7.772 ( 13.672 -2.942 -0.374) 13.990 8.449 ( 11.130 7.023 -0.563) 13.172 8.814 ( -14.305 8.891 0.746) 16.859 9.755 ( 3.965 -10.568 -1.286) 11.360 15.494 ( 2.320 27.421 0.282) 27.520 17.659 ( 19.644 7.767 -0.806) 21.139 18.899 ( 11.122 5.421 0.861) 12.403 19.849 ( 7.810 -5.584 -0.093) 9.601 21.603 ( -21.790 11.114 -0.687) 24.471 22.822 ( 0.383 -9.460 1.511) 9.587 23.163 ( 4.877 -1.926 -0.115) 5.245 24.978 ( 4.959 5.575 -0.829) 7.507 25.057 ( -0.560 0.965 1.294) 1.709 25.486 ( -0.922 -0.300 -0.619) 1.150 25.919 ( -2.491 -1.966 -0.013) 3.174 26.427 ( -12.494 -2.530 0.459) 12.756 27.252 ( 2.900 -11.221 -0.363) 11.595 28.592 ( -1.783 -2.748 0.234) 3.284 28.773 ( -7.374 -1.192 -0.182) 7.472 29.054 ( 1.912 -6.207 0.068) 6.495 31.867 ( 0.088 1.343 -0.363) 1.394 32.112 ( -3.698 -6.997 -0.313) 7.920 51.713 ( -0.232 -0.062 -0.063) 0.248 52.119 ( -15.148 2.604 0.044) 15.370 53.354 ( 16.674 -12.987 -0.625) 21.144 55.061 ( -3.706 -5.700 0.019) 6.799 55.764 ( -5.682 12.044 -0.337) 13.321 56.413 ( 5.119 -0.152 0.886) 5.198======================= Grid point 32 (17/147) =======================q-point: ( 0.38 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 677Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.853 ( -1.502 6.666 -0.139) 6.835 3.346 ( 2.186 -2.792 -1.111) 3.716 3.476 ( 1.632 5.036 -0.123) 5.295 4.876 ( 1.648 2.500 1.048) 3.172 5.978 ( 6.758 16.047 0.523) 17.420 6.342 ( -16.685 10.551 -0.243) 19.743 6.483 ( 8.790 3.147 -1.590) 9.471 6.717 ( -6.190 -8.997 2.096) 11.120 7.954 ( 9.338 -3.778 -0.076) 10.073 8.625 ( -3.802 6.455 -1.151) 7.580 8.694 ( -0.997 3.282 1.376) 3.696 9.716 ( 3.695 -9.394 -0.731) 10.121 15.693 ( -8.304 23.808 0.131) 25.215 18.006 ( 10.449 3.486 -0.541) 11.029 19.044 ( 8.151 -8.155 0.692) 11.551 19.884 ( 6.116 -10.229 -0.020) 11.918 21.424 ( -15.811 18.541 -0.443) 24.371 22.760 ( 2.107 -6.863 0.605) 7.205 23.208 ( 2.994 -2.858 -0.046) 4.139 24.998 ( -2.913 4.804 -0.220) 5.622 25.150 ( 2.805 2.540 0.547) 3.823 25.456 ( -1.002 -1.087 -0.407) 1.533 25.894 ( -1.643 2.885 -0.023) 3.320 26.234 ( -6.184 -0.919 0.231) 6.256 27.213 ( 5.418 -11.193 -0.140) 12.436 28.572 ( 0.100 1.236 0.262) 1.268 28.654 ( -4.585 -0.781 -0.243) 4.657 29.034 ( 2.874 -5.970 0.037) 6.626 31.865 ( -1.130 0.871 -0.023) 1.427 32.032 ( 0.560 -4.164 -0.254) 4.210 51.719 ( 0.430 0.462 -0.012) 0.632 51.948 ( -10.312 8.223 -0.028) 13.189 53.472 ( 14.971 -19.354 -0.204) 24.469 54.970 ( -1.506 -2.596 0.001) 3.001 55.778 ( -7.276 13.320 -0.125) 15.178 56.472 ( 3.080 -2.388 0.338) 3.912======================= Grid point 43 (18/147) =======================q-point: ( 0.23 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 371Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.797 ( 4.762 8.249 0.000) 9.525 3.294 ( 0.284 0.492 0.000) 0.568 3.297 ( 7.586 13.139 0.000) 15.172 4.776 ( 2.357 4.083 0.000) 4.715 5.656 ( 13.322 23.074 0.000) 26.643 6.149 ( 7.684 13.310 0.000) 15.369 6.711 ( 0.646 1.119 0.000) 1.292 6.982 ( -8.148 -14.112 0.000) 16.296 7.599 ( 2.864 4.961 0.000) 5.729 8.385 ( 6.084 10.538 0.000) 12.168 9.027 ( -0.185 -0.320 0.000) 0.369 9.628 ( -3.687 -6.386 0.000) 7.374 15.634 ( 14.746 25.540 0.000) 29.491 17.502 ( 8.528 14.771 0.000) 17.056 18.828 ( 4.714 8.166 0.000) 9.429 19.751 ( 0.326 0.564 0.000) 0.652 21.902 ( -1.814 -3.141 0.000) 3.627 22.723 ( -4.851 -8.401 0.000) 9.701 23.110 ( 1.324 2.292 0.000) 2.647 24.957 ( 5.375 9.310 0.000) 10.750 25.071 ( -0.653 -1.130 0.000) 1.305 25.493 ( -0.264 -0.457 0.000) 0.528 25.929 ( -1.427 -2.472 0.000) 2.855 26.551 ( -4.477 -7.755 0.000) 8.955 27.145 ( -5.088 -8.812 0.000) 10.175 28.593 ( -1.680 -2.909 0.000) 3.360 28.859 ( -2.329 -4.033 0.000) 4.657 28.978 ( -2.806 -4.859 0.000) 5.611 31.873 ( 0.926 1.604 0.000) 1.852 32.109 ( -4.618 -7.999 0.000) 9.237 51.714 ( -0.153 -0.265 0.000) 0.305 52.315 ( -2.868 -4.967 0.000) 5.736 53.090 ( -1.571 -2.721 0.000) 3.142 55.065 ( -3.354 -5.810 0.000) 6.709 55.890 ( 3.825 6.626 0.000) 7.651 56.354 ( 1.273 2.206 0.000) 2.547======================= Grid point 44 (19/147) =======================q-point: ( 0.31 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 677Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.932 ( 1.438 7.586 0.007) 7.721 3.285 ( 0.641 -3.071 -0.708) 3.216 3.490 ( 3.344 6.425 -0.082) 7.244 4.875 ( 2.863 4.954 0.645) 5.758 6.026 ( 6.429 14.902 -0.039) 16.230 6.361 ( 6.849 4.753 -0.487) 8.351 6.692 ( -8.641 -1.440 1.048) 8.823 6.764 ( -5.316 5.292 -0.077) 7.501 7.718 ( 9.263 -4.525 -0.007) 10.309 8.581 ( 6.205 6.655 -0.383) 9.107 8.933 ( -10.325 2.460 0.591) 10.631 9.549 ( 3.000 -8.926 -0.574) 9.434 16.025 ( 1.193 23.782 0.123) 23.812 17.848 ( 14.046 11.929 -0.457) 18.434 18.869 ( 1.027 -8.260 0.513) 8.339 19.741 ( 1.350 -5.089 -0.014) 5.265 21.831 ( -10.276 11.539 -0.602) 15.463 22.606 ( 2.562 -11.602 0.773) 11.906 23.151 ( 1.735 0.190 -0.108) 1.748 25.080 ( -0.066 6.008 -1.141) 6.116 25.124 ( 4.248 4.282 1.375) 6.186 25.462 ( -1.574 -2.358 -0.299) 2.850 25.932 ( 0.917 3.311 -0.030) 3.436 26.362 ( -9.264 -4.414 0.206) 10.264 27.016 ( 1.933 -11.446 -0.135) 11.609 28.575 ( 0.650 1.103 0.127) 1.287 28.750 ( -6.568 -1.067 -0.180) 6.656 28.916 ( 2.300 -7.233 0.084) 7.590 31.893 ( -0.577 1.148 0.058) 1.286 31.987 ( -1.243 -5.211 -0.212) 5.361 51.717 ( 0.273 0.390 -0.007) 0.476 52.222 ( -8.883 7.627 0.004) 11.708 53.061 ( 8.451 -15.612 -0.122) 17.753 54.970 ( -1.990 -3.405 0.000) 3.944 55.991 ( -2.043 10.348 -0.182) 10.550 56.388 ( 2.720 -2.357 0.289) 3.610======================= Grid point 45 (20/147) =======================q-point: ( 0.38 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 371Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.986 ( -3.611 6.255 0.000) 7.223 3.272 ( 2.496 -4.324 -0.000) 4.993 3.549 ( -1.334 2.310 -0.000) 2.667 4.932 ( -1.530 2.649 -0.000) 3.059 6.157 ( -2.408 4.170 -0.000) 4.815 6.492 ( 1.501 -2.599 0.000) 3.001 6.534 ( 0.467 -0.809 0.000) 0.935 6.770 ( -12.210 21.148 0.000) 24.419 7.784 ( 7.788 -13.489 -0.000) 15.576 8.705 ( -1.290 2.235 0.000) 2.581 8.806 ( -4.082 7.071 0.000) 8.165 9.533 ( 4.766 -8.256 -0.000) 9.533 16.151 ( -11.318 19.604 -0.000) 22.637 18.079 ( -2.472 4.282 0.000) 4.945 18.796 ( 8.463 -14.658 -0.000) 16.925 19.721 ( 3.356 -5.812 -0.000) 6.711 21.798 ( -10.562 18.293 0.000) 21.123 22.571 ( 6.884 -11.924 -0.000) 13.769 23.168 ( 0.664 -1.151 -0.000) 1.329 25.120 ( -3.488 6.042 0.000) 6.976 25.194 ( -1.155 2.001 -0.000) 2.311 25.423 ( 1.299 -2.249 0.000) 2.597 25.982 ( -2.937 5.087 0.000) 5.874 26.227 ( -0.178 0.309 -0.000) 0.356 26.977 ( 6.490 -11.242 0.000) 12.981 28.626 ( -1.624 2.812 -0.000) 3.247 28.646 ( -0.676 1.171 0.000) 1.352 28.901 ( 4.060 -7.032 -0.000) 8.120 31.885 ( -0.639 1.107 -0.000) 1.278 31.958 ( 1.754 -3.037 0.000) 3.507 51.723 ( -0.035 0.060 0.000) 0.070 52.179 ( -8.228 14.252 0.000) 16.457 53.058 ( 11.995 -20.775 -0.000) 23.989 54.935 ( 0.597 -1.034 -0.000) 1.194 56.025 ( -6.264 10.850 0.000) 12.528 56.400 ( 2.694 -4.666 -0.000) 5.387======================= Grid point 58 (21/147) =======================q-point: ( 0.31 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 371Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.069 ( 3.327 5.762 0.000) 6.654 3.207 ( -2.488 -4.310 0.000) 4.977 3.571 ( 1.113 1.927 0.000) 2.225 4.962 ( 1.632 2.826 0.000) 3.263 6.199 ( 2.062 3.572 0.000) 4.125 6.437 ( 1.920 3.326 0.000) 3.840 6.535 ( -3.766 -6.522 0.000) 7.531 7.099 ( 10.161 17.599 0.000) 20.322 7.547 ( -6.755 -11.701 0.000) 13.511 8.729 ( 4.510 7.811 0.000) 9.019 8.897 ( -3.125 -5.413 0.000) 6.250 9.434 ( -1.417 -2.454 0.000) 2.834 16.369 ( 5.336 9.242 0.000) 10.672 18.148 ( 9.755 16.897 0.000) 19.511 18.601 ( -9.494 -16.444 0.000) 18.987 19.661 ( -1.338 -2.317 0.000) 2.675 22.059 ( 6.013 10.414 0.000) 12.025 22.374 ( -6.120 -10.600 0.000) 12.240 23.157 ( 0.146 0.253 0.000) 0.292 25.181 ( 1.149 1.990 0.000) 2.298 25.230 ( 3.998 6.925 0.000) 7.996 25.388 ( -2.776 -4.808 0.000) 5.552 26.044 ( 4.162 7.209 0.000) 8.324 26.239 ( -4.333 -7.504 0.000) 8.665 26.842 ( -2.792 -4.836 0.000) 5.585 28.633 ( 2.546 4.411 0.000) 5.093 28.722 ( -1.557 -2.696 0.000) 3.114 28.787 ( -2.482 -4.299 0.000) 4.964 31.909 ( 0.059 0.102 0.000) 0.118 31.914 ( -0.913 -1.581 0.000) 1.826 51.724 ( 0.110 0.190 0.000) 0.219 52.410 ( 5.798 10.043 0.000) 11.596 52.761 ( -7.488 -12.969 0.000) 14.975 54.925 ( -0.650 -1.126 0.000) 1.301 56.167 ( 3.890 6.738 0.000) 7.780 56.321 ( -2.286 -3.959 0.000) 4.571======================= Grid point 181 (22/147) =======================q-point: ( 0.00 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.719 ( 0.000 0.000 36.660) 36.660 0.719 ( 0.000 0.000 36.660) 36.660 1.108 ( 0.000 -0.000 56.638) 56.638 3.460 ( 0.000 0.000 -6.118) 6.118 3.460 ( 0.000 -0.000 -6.118) 6.118 5.849 ( 0.000 -0.000 -14.147) 14.147 7.504 ( -0.000 -0.000 0.003) 0.003 7.504 ( 0.000 0.000 0.003) 0.003 7.596 ( 0.000 0.000 -0.413) 0.413 7.596 ( 0.000 0.000 -0.413) 0.413 7.658 ( 0.000 0.000 2.592) 2.592 9.776 ( 0.000 -0.000 0.448) 0.448 12.640 ( 0.000 -0.000 0.329) 0.329 16.570 ( 0.000 0.000 -7.459) 7.459 16.570 ( -0.000 0.000 -7.459) 7.459 18.844 ( 0.000 -0.000 4.153) 4.153 18.844 ( 0.000 0.000 4.153) 4.153 22.781 ( 0.000 -0.000 -0.150) 0.150 24.007 ( 0.000 0.000 -0.369) 0.369 24.007 ( 0.000 0.000 -0.369) 0.369 25.269 ( 0.000 -0.000 1.091) 1.091 25.269 ( 0.000 0.000 1.091) 1.091 26.930 ( 0.000 0.000 0.217) 0.217 26.930 ( 0.000 0.000 0.217) 0.217 27.958 ( 0.000 0.000 0.394) 0.394 29.218 ( 0.000 0.000 -0.671) 0.671 29.218 ( 0.000 -0.000 -0.671) 0.671 29.368 ( 0.000 -0.000 -0.181) 0.181 33.098 ( 0.000 0.000 -0.355) 0.355 34.699 ( 0.000 0.000 0.093) 0.093 51.871 ( 0.000 0.000 1.444) 1.444 51.871 ( 0.000 -0.000 1.444) 1.444 54.589 ( 0.000 0.000 0.564) 0.564 55.285 ( 0.000 -0.000 -0.791) 0.791 55.285 ( 0.000 -0.000 -0.791) 0.791 55.806 ( 0.000 -0.000 -0.328) 0.328======================= Grid point 182 (23/147) =======================q-point: ( 0.08 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 364Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.080 ( 21.530 12.431 26.557) 36.378 1.093 ( 26.145 15.095 21.613) 37.128 1.701 ( 41.450 23.931 33.329) 58.323 3.565 ( 8.098 4.675 -4.565) 10.406 3.647 ( 13.459 7.771 -10.616) 18.821 5.168 ( -20.645 -11.919 8.146) 25.192 7.277 ( -11.697 -6.753 -0.009) 13.506 7.596 ( -0.363 -0.209 -0.467) 0.627 7.671 ( 1.463 0.845 1.936) 2.569 7.800 ( 9.760 5.635 -0.366) 11.276 8.288 ( 20.625 11.908 -21.177) 31.869 9.609 ( -3.116 -1.799 -3.505) 5.024 12.839 ( 16.736 9.662 0.352) 19.328 16.610 ( 3.071 1.773 -6.739) 7.615 16.729 ( 12.334 7.121 -6.023) 15.463 18.894 ( 6.057 3.497 2.181) 7.326 20.836 ( 89.054 51.416 -89.828) 136.540 22.802 ( 1.791 1.034 -0.132) 2.073 23.898 ( -6.835 -3.946 -2.638) 8.322 23.972 ( -4.050 -2.338 0.741) 4.735 25.270 ( -0.006 -0.003 1.092) 1.092 25.300 ( 2.160 1.247 -0.414) 2.528 26.869 ( -5.198 -3.001 0.172) 6.005 26.953 ( 0.892 0.515 -3.134) 3.299 27.901 ( -4.720 -2.725 1.069) 5.554 29.183 ( -2.867 -1.655 -0.777) 3.400 29.201 ( -1.716 -0.991 -0.534) 2.052 29.339 ( -2.315 -1.336 -0.287) 2.688 33.024 ( -8.279 -4.780 2.441) 9.867 33.334 ( -61.067 -35.257 71.822) 100.651 51.858 ( -0.950 -0.549 1.301) 1.702 52.318 ( 21.434 12.375 -19.227) 31.340 54.047 ( -29.585 -17.081 8.746) 35.264 55.294 ( 0.573 0.331 -0.646) 0.925 55.564 ( 14.679 8.475 2.990) 17.212 55.783 ( -1.623 -0.937 -0.393) 1.915======================= Grid point 183 (24/147) =======================q-point: ( 0.15 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 364Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.637 ( 25.633 14.799 12.544) 32.147 1.699 ( 24.206 13.975 10.334) 29.799 2.578 ( 29.894 17.259 17.198) 38.566 3.840 ( 15.678 9.052 -2.515) 18.277 4.088 ( 25.536 14.743 -6.931) 30.290 4.930 ( -2.808 -1.621 -0.454) 3.274 7.009 ( -11.339 -6.547 -0.006) 13.093 7.543 ( -3.846 -2.221 2.324) 5.013 7.728 ( 3.586 2.070 0.603) 4.184 8.003 ( 7.741 4.469 -0.323) 8.944 8.447 ( -0.917 -0.530 -6.339) 6.427 9.691 ( 7.226 4.172 -9.867) 12.922 13.368 ( 27.772 16.034 0.437) 32.071 16.718 ( 6.514 3.761 -5.567) 9.358 17.123 ( 21.415 12.364 -4.586) 25.149 19.113 ( 12.564 7.254 -0.003) 14.507 22.032 ( 20.164 11.642 -42.923) 48.831 22.860 ( 3.081 1.779 -0.092) 3.558 23.815 ( 3.058 1.766 -13.889) 14.331 23.829 ( -8.008 -4.624 1.743) 9.410 25.265 ( -0.543 -0.313 1.100) 1.266 25.354 ( 2.375 1.371 -0.848) 2.871 26.696 ( -9.651 -5.572 0.092) 11.144 26.932 ( -3.141 -1.813 -3.871) 5.305 27.762 ( -6.735 -3.888 1.004) 7.841 29.090 ( -5.078 -2.932 -0.856) 5.926 29.127 ( -4.893 -2.825 -0.300) 5.658 29.279 ( -2.473 -1.428 -0.686) 2.936 32.367 ( -22.687 -13.098 49.634) 56.123 32.878 ( -9.513 -5.492 1.461) 11.081 51.829 ( -1.537 -0.888 1.167) 2.125 52.679 ( 10.324 5.961 -11.225) 16.374 53.442 ( -21.856 -12.618 3.010) 25.415 55.311 ( 0.871 0.503 -0.500) 1.124 55.685 ( -3.895 -2.249 0.132) 4.499 55.918 ( 12.689 7.326 4.398) 15.297======================= Grid point 184 (25/147) =======================q-point: ( 0.23 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 364Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.168 ( 16.267 9.392 4.470) 19.308 2.222 ( 24.330 14.047 3.183) 28.274 3.050 ( 12.995 7.503 7.479) 16.766 4.277 ( 21.568 12.453 -0.573) 24.912 4.623 ( 12.222 7.056 -6.753) 15.645 5.122 ( 24.205 13.975 5.060) 28.404 6.758 ( -10.413 -6.012 -0.141) 12.025 7.435 ( -5.323 -3.073 3.082) 6.876 7.843 ( 6.685 3.859 -1.164) 7.806 8.154 ( 5.287 3.053 -0.247) 6.110 8.375 ( -4.307 -2.487 -3.208) 5.918 9.853 ( 5.909 3.412 -6.533) 9.447 14.048 ( 29.343 16.941 0.552) 33.887 16.928 ( 12.041 6.952 -4.519) 14.620 17.689 ( 26.868 15.512 -3.660) 31.240 19.451 ( 16.067 9.277 -1.556) 18.618 22.025 ( -14.786 -8.537 -6.942) 18.431 22.936 ( 3.214 1.856 0.055) 3.712 23.620 ( -9.584 -5.533 2.213) 11.286 24.080 ( 17.402 10.047 -20.197) 28.491 25.238 ( -1.975 -1.140 1.188) 2.572 25.408 ( 2.319 1.339 -0.492) 2.723 26.437 ( -12.280 -7.090 0.001) 14.180 26.798 ( -8.365 -4.830 -2.265) 9.921 27.615 ( -5.542 -3.200 0.130) 6.401 28.956 ( -6.263 -3.616 -0.888) 7.287 28.980 ( -7.485 -4.322 -0.394) 8.652 29.231 ( -1.777 -1.026 -0.897) 2.239 32.042 ( -7.943 -4.586 25.503) 27.102 32.637 ( -11.068 -6.390 0.599) 12.794 51.790 ( -1.774 -1.024 1.081) 2.316 52.656 ( -14.323 -8.270 0.561) 16.549 53.225 ( 5.737 3.312 -5.160) 8.397 55.332 ( 0.967 0.558 -0.391) 1.183 55.560 ( -6.623 -3.824 -0.183) 7.649 56.185 ( 10.040 5.797 3.800) 12.201======================= Grid point 185 (26/147) =======================q-point: ( 0.31 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 364Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.463 ( 9.734 5.620 1.577) 11.350 2.735 ( 19.649 11.344 -2.555) 22.832 3.264 ( 6.675 3.854 3.817) 8.601 4.765 ( 4.165 2.405 -1.718) 5.107 4.799 ( 22.857 13.196 0.462) 26.397 5.783 ( 26.681 15.404 5.297) 31.260 6.524 ( -9.979 -5.761 -0.454) 11.531 7.296 ( -6.756 -3.901 3.874) 8.710 8.046 ( 10.018 5.784 -3.100) 11.975 8.249 ( 3.006 1.736 -0.186) 3.476 8.285 ( -1.962 -1.133 -1.116) 2.526 9.943 ( 1.737 1.003 -3.755) 4.257 14.651 ( 21.783 12.576 0.535) 25.158 17.282 ( 18.318 10.576 -3.626) 21.460 18.323 ( 27.043 15.613 -2.891) 31.360 19.826 ( 15.824 9.136 -2.227) 18.407 21.562 ( -22.438 -12.955 2.910) 26.072 22.989 ( 0.765 0.442 0.771) 1.173 23.416 ( -7.233 -4.176 1.588) 8.502 24.501 ( 17.490 10.098 -15.980) 25.753 25.165 ( -4.541 -2.622 1.250) 5.390 25.456 ( 1.594 0.920 -0.024) 1.841 26.155 ( -11.454 -6.613 -0.035) 13.226 26.564 ( -11.143 -6.433 -1.028) 12.907 27.515 ( -3.150 -1.819 -0.389) 3.658 28.799 ( -7.790 -4.498 -0.850) 9.035 28.811 ( -6.051 -3.494 -0.858) 7.040 29.194 ( -1.415 -0.817 -0.872) 1.852 31.930 ( -2.682 -1.548 11.866) 12.263 32.387 ( -10.033 -5.792 0.516) 11.596 51.750 ( -1.609 -0.929 1.060) 2.140 52.263 ( -16.693 -9.637 1.577) 19.339 53.478 ( 13.292 7.674 -3.414) 15.723 55.354 ( 0.843 0.487 -0.343) 1.032 55.384 ( -8.462 -4.886 -0.121) 9.772 56.377 ( 6.620 3.822 2.347) 7.996======================= Grid point 186 (27/147) =======================q-point: ( 0.38 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 364Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.635 ( 5.399 3.117 0.515) 6.255 3.113 ( 12.936 7.469 -5.243) 15.831 3.388 ( 4.321 2.495 3.803) 6.274 4.854 ( 3.306 1.909 1.449) 4.083 5.303 ( 20.356 11.753 0.712) 23.516 6.263 ( 15.094 8.714 2.967) 17.679 6.286 ( -10.874 -6.278 -0.903) 12.589 7.122 ( -8.237 -4.755 5.412) 10.943 8.127 ( -1.769 -1.022 -1.385) 2.468 8.297 ( 1.332 0.769 -0.165) 1.547 8.459 ( 14.703 8.489 -1.639) 17.057 9.936 ( -2.026 -1.170 -2.321) 3.295 15.033 ( 11.447 6.609 0.288) 13.221 17.726 ( 18.495 10.678 -2.650) 21.520 18.889 ( 20.754 11.983 -2.519) 24.097 20.153 ( 11.851 6.842 -2.319) 13.879 21.076 ( -18.308 -10.570 5.909) 21.950 22.951 ( -3.626 -2.094 2.246) 4.752 23.317 ( -1.527 -0.882 -0.153) 1.770 24.845 ( 11.739 6.777 -12.923) 18.728 25.032 ( -6.518 -3.763 1.058) 7.601 25.475 ( 0.045 0.026 0.556) 0.559 25.938 ( -6.995 -4.039 0.088) 8.078 26.326 ( -8.660 -5.000 -0.502) 10.012 27.464 ( -1.424 -0.822 -0.390) 1.690 28.637 ( -5.974 -3.449 -1.467) 7.052 28.689 ( -4.345 -2.508 -0.761) 5.074 29.166 ( -0.989 -0.571 -0.795) 1.392 31.888 ( -1.382 -0.798 4.888) 5.142 32.197 ( -6.038 -3.486 0.681) 7.005 51.718 ( -1.079 -0.623 1.105) 1.666 51.936 ( -11.142 -6.433 1.521) 12.956 53.787 ( 12.802 7.391 -1.293) 14.839 55.179 ( -8.884 -5.129 -0.049) 10.259 55.370 ( 0.531 0.307 -0.364) 0.713 56.493 ( 3.455 1.995 0.954) 4.102======================= Grid point 187 (28/147) =======================q-point: ( 0.46 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 364Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.721 ( 2.172 1.254 0.497) 2.557 3.331 ( 6.116 3.531 -4.396) 8.319 3.464 ( 2.021 1.167 4.601) 5.159 4.894 ( -0.252 -0.146 0.813) 0.864 5.721 ( 15.060 8.695 0.073) 17.390 6.015 ( -12.175 -7.029 -0.930) 14.090 6.519 ( 7.692 4.441 0.185) 8.884 6.931 ( -7.713 -4.453 7.171) 11.434 8.089 ( -0.982 -0.567 -0.600) 1.283 8.316 ( 0.320 0.185 -0.181) 0.412 8.750 ( 7.711 4.452 -1.458) 9.023 9.886 ( -1.059 -0.611 -1.063) 1.620 15.198 ( 3.257 1.880 -0.010) 3.761 18.053 ( 8.298 4.791 -1.662) 9.725 19.227 ( 7.475 4.316 -2.939) 9.118 20.349 ( 4.774 2.757 -2.176) 5.927 20.769 ( -7.402 -4.274 6.904) 10.987 22.871 ( -2.364 -1.365 2.669) 3.818 23.308 ( -0.011 -0.007 -0.965) 0.965 24.904 ( -3.551 -2.050 0.650) 4.151 25.028 ( 3.992 2.305 -11.802) 12.670 25.467 ( -0.326 -0.189 1.142) 1.202 25.835 ( -2.118 -1.223 0.255) 2.459 26.189 ( -3.062 -1.768 -0.394) 3.557 27.445 ( -0.254 -0.147 -0.198) 0.354 28.537 ( -2.435 -1.406 -2.030) 3.468 28.620 ( -1.477 -0.853 -0.615) 1.814 29.150 ( -0.385 -0.222 -0.761) 0.881 31.860 ( -0.773 -0.446 2.230) 2.402 32.116 ( -1.201 -0.694 0.847) 1.626 51.702 ( -0.302 -0.174 1.199) 1.249 51.761 ( -3.853 -2.224 1.574) 4.719 54.027 ( 6.741 3.892 0.173) 7.786 55.008 ( -4.828 -2.787 -0.116) 5.576 55.377 ( 0.102 0.059 -0.444) 0.459 56.539 ( 0.628 0.363 -0.124) 0.736======================= Grid point 188 (29/147) =======================q-point: (-0.46 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 364Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.737 ( -0.772 -0.445 1.174) 1.474 3.395 ( -1.559 -0.900 -2.241) 2.875 3.469 ( -1.024 -0.591 5.413) 5.541 4.846 ( -3.335 -1.926 -1.255) 4.051 5.633 ( -16.874 -9.742 -3.221) 19.748 6.081 ( 12.105 6.989 1.459) 14.054 6.554 ( -7.217 -4.167 0.538) 8.351 6.859 ( 4.000 2.309 5.342) 7.061 8.090 ( 1.144 0.660 -0.594) 1.448 8.315 ( -0.404 -0.233 -0.221) 0.516 8.742 ( -8.047 -4.646 -1.738) 9.453 9.924 ( 3.828 2.210 0.494) 4.448 15.193 ( -3.645 -2.105 -0.201) 4.214 18.067 ( -7.234 -4.176 -1.113) 8.427 19.209 ( -8.769 -5.063 -3.579) 10.740 20.365 ( -3.297 -1.903 -1.551) 4.110 20.754 ( 5.849 3.377 5.982) 9.022 22.863 ( 1.714 0.990 2.398) 3.109 23.300 ( -0.714 -0.412 -1.293) 1.534 24.897 ( 2.958 1.708 0.354) 3.434 25.028 ( -3.989 -2.303 -11.396) 12.291 25.476 ( 1.109 0.640 1.349) 1.860 25.835 ( 2.133 1.231 0.257) 2.476 26.182 ( 2.439 1.408 -0.668) 2.895 27.451 ( 0.741 0.428 0.008) 0.855 28.530 ( 1.875 1.083 -2.304) 3.162 28.623 ( 1.795 1.036 -0.460) 2.123 29.149 ( 0.338 0.195 -0.784) 0.876 31.868 ( 1.562 0.902 2.608) 3.171 32.126 ( 1.915 1.106 1.138) 2.487 51.705 ( 0.549 0.317 1.319) 1.463 51.761 ( 3.848 2.222 1.584) 4.717 54.046 ( -5.149 -2.973 0.921) 6.017 55.007 ( 4.838 2.793 -0.133) 5.587 55.374 ( -0.352 -0.203 -0.565) 0.696 56.523 ( -2.054 -1.186 -0.785) 2.498======================= Grid point 189 (30/147) =======================q-point: (-0.38 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 364Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.682 ( -4.091 -2.362 2.533) 5.360 3.218 ( -13.188 -7.614 0.038) 15.228 3.440 ( -2.318 -1.338 5.489) 6.107 4.778 ( -1.917 -1.107 -2.303) 3.194 5.189 ( -21.264 -12.277 -3.959) 24.871 6.246 ( -18.576 -10.725 2.244) 21.566 6.336 ( 10.031 5.791 1.081) 11.633 7.020 ( 7.927 4.577 1.372) 9.256 8.146 ( 3.577 2.065 -0.598) 4.173 8.295 ( -1.397 -0.807 -0.277) 1.637 8.458 ( -14.406 -8.317 -1.660) 16.717 10.002 ( 1.761 1.017 0.493) 2.092 15.021 ( -11.671 -6.738 -0.218) 13.478 17.755 ( -18.310 -10.571 -1.463) 21.193 18.858 ( -20.668 -11.933 -3.706) 24.152 20.210 ( -9.847 -5.685 -0.078) 11.371 21.011 ( 15.704 9.067 2.502) 18.306 22.936 ( 3.960 2.286 1.898) 4.950 23.282 ( -0.305 -0.176 -1.746) 1.781 24.846 ( -11.506 -6.643 -11.635) 17.660 25.014 ( 6.229 3.596 0.326) 7.200 25.501 ( 0.529 0.306 1.247) 1.389 25.939 ( 7.065 4.079 0.136) 8.159 26.306 ( 8.273 4.776 -1.203) 9.628 27.480 ( 1.863 1.075 0.179) 2.158 28.619 ( 5.604 3.236 -2.195) 6.833 28.699 ( 4.560 2.633 -0.347) 5.276 29.165 ( 1.034 0.597 -0.812) 1.444 31.922 ( 2.727 1.574 6.284) 7.029 32.212 ( 5.792 3.344 1.050) 6.770 51.727 ( 1.279 0.738 1.441) 2.063 51.933 ( 10.769 6.218 1.390) 12.513 53.843 ( -11.109 -6.414 0.866) 12.856 55.182 ( 9.082 5.243 0.072) 10.487 55.362 ( -0.730 -0.421 -0.702) 1.097 56.444 ( -4.834 -2.791 -0.969) 5.665======================= Grid point 190 (31/147) =======================q-point: (-0.31 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 364Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.538 ( -8.757 -5.056 4.846) 11.213 2.814 ( -21.107 -12.186 1.498) 24.418 3.339 ( -6.826 -3.941 7.157) 10.647 4.667 ( -23.385 -13.501 -5.104) 27.481 4.769 ( 1.071 0.618 -3.453) 3.667 5.693 ( -29.296 -16.914 2.553) 33.925 6.556 ( 9.227 5.327 0.807) 10.685 7.187 ( 6.180 3.568 -0.695) 7.169 8.097 ( -11.250 -6.495 -0.740) 13.012 8.245 ( -3.021 -1.744 -0.337) 3.505 8.313 ( 6.332 3.656 -0.235) 7.316 9.974 ( -4.473 -2.582 -2.276) 5.644 14.638 ( -21.656 -12.503 -0.029) 25.006 17.304 ( -19.050 -10.998 -2.688) 22.160 18.302 ( -26.467 -15.281 -3.755) 30.792 19.929 ( -14.069 -8.123 1.839) 16.349 21.434 ( 19.663 11.352 -3.815) 23.023 22.992 ( -0.162 -0.093 1.173) 1.188 23.333 ( 5.599 3.232 -2.000) 6.767 24.518 ( -16.217 -9.363 -12.896) 22.737 25.145 ( 4.630 2.673 0.426) 5.363 25.488 ( -1.553 -0.896 0.874) 1.995 26.158 ( 11.484 6.631 0.066) 13.261 26.540 ( 11.062 6.386 -1.778) 12.896 27.540 ( 3.440 1.986 0.361) 3.988 28.776 ( 7.667 4.427 -1.824) 9.039 28.825 ( 6.115 3.530 -0.310) 7.067 29.195 ( 1.557 0.899 -0.776) 1.958 31.989 ( 3.390 1.957 14.197) 14.727 32.394 ( 9.699 5.599 0.381) 11.205 51.762 ( 1.716 0.991 1.545) 2.512 52.240 ( 15.107 8.722 0.632) 17.456 53.581 ( -10.604 -6.122 0.493) 12.254 55.342 ( -0.945 -0.546 -0.828) 1.370 55.391 ( 8.622 4.978 0.166) 9.957 56.298 ( -7.810 -4.509 -0.586) 9.037======================= Grid point 191 (32/147) =======================q-point: (-0.23 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 364Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.256 ( -16.194 -9.350 8.555) 20.563 2.273 ( -25.207 -14.553 5.449) 29.612 3.096 ( -15.297 -8.832 10.172) 20.383 4.143 ( -21.063 -12.160 -6.516) 25.179 4.795 ( -4.807 -2.775 -10.064) 11.493 4.952 ( -27.282 -15.751 7.389) 32.358 6.774 ( 9.838 5.680 0.508) 11.372 7.304 ( 4.204 2.427 -2.203) 5.331 7.871 ( -7.682 -4.435 0.072) 8.870 8.151 ( -5.227 -3.018 -0.376) 6.047 8.517 ( 10.240 5.912 2.690) 12.127 9.796 ( -10.739 -6.200 -8.911) 15.270 14.040 ( -29.059 -16.777 0.217) 33.555 16.928 ( -12.998 -7.505 -4.380) 15.635 17.681 ( -26.358 -15.218 -3.969) 30.693 19.581 ( -15.520 -8.961 3.610) 18.281 21.836 ( 12.586 7.267 -17.185) 22.506 22.942 ( -3.352 -1.936 0.362) 3.888 23.521 ( 9.661 5.578 -1.843) 11.306 24.143 ( -14.932 -8.621 -13.644) 21.987 25.223 ( 2.266 1.308 0.562) 2.677 25.438 ( -2.634 -1.521 0.205) 3.048 26.440 ( 12.270 7.084 0.105) 14.168 26.775 ( 8.611 4.972 -2.675) 10.297 27.643 ( 5.393 3.114 0.643) 6.261 28.957 ( 7.589 4.382 -1.391) 8.873 28.969 ( 6.186 3.572 -0.349) 7.152 29.235 ( 1.909 1.102 -0.641) 2.295 32.106 ( 7.610 4.393 27.654) 29.017 32.638 ( 10.902 6.294 0.166) 12.590 51.803 ( 1.756 1.014 1.610) 2.589 52.567 ( 10.698 6.176 -2.559) 12.615 53.414 ( -1.543 -0.891 1.219) 2.159 55.320 ( -0.944 -0.545 -0.916) 1.424 55.569 ( 6.691 3.863 0.153) 7.727 56.083 ( -10.701 -6.179 0.521) 12.368======================= Grid point 192 (33/147) =======================q-point: (-0.15 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 364Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.675 ( -26.044 -15.036 13.264) 32.868 1.775 ( -25.254 -14.581 13.989) 32.343 2.560 ( -32.347 -18.676 17.074) 41.069 3.735 ( -13.795 -7.965 -7.451) 17.586 4.165 ( -26.690 -15.409 -3.827) 31.055 4.938 ( 5.948 3.434 -0.577) 6.893 7.014 ( 10.974 6.336 0.206) 12.673 7.394 ( 3.807 2.198 -3.293) 5.492 7.737 ( -4.134 -2.387 0.992) 4.875 8.002 ( -7.626 -4.403 -0.366) 8.814 8.727 ( 4.999 2.886 6.467) 8.668 9.519 ( -10.833 -6.254 -18.379) 22.232 13.366 ( -27.610 -15.941 0.330) 31.883 16.702 ( -6.909 -3.989 -6.035) 10.003 17.124 ( -21.120 -12.194 -4.416) 24.784 19.237 ( -13.757 -7.943 4.822) 16.601 21.838 ( -17.511 -10.110 -51.100) 54.955 22.862 ( -3.219 -1.858 0.016) 3.717 23.745 ( 9.156 5.286 -1.682) 10.706 23.911 ( -3.626 -2.093 -7.744) 8.803 25.257 ( 0.833 0.481 0.760) 1.226 25.373 ( -2.916 -1.684 -0.594) 3.419 26.698 ( 9.621 5.555 0.175) 11.111 26.918 ( 3.659 2.113 -3.822) 5.698 27.780 ( 6.120 3.533 0.961) 7.132 29.100 ( 4.904 2.831 -0.439) 5.680 29.109 ( 5.304 3.062 -1.048) 6.213 29.284 ( 2.354 1.359 -0.424) 2.751 32.412 ( 21.512 12.420 50.729) 56.484 32.877 ( 9.433 5.446 0.878) 10.928 51.840 ( 1.390 0.803 1.617) 2.279 52.614 ( -6.552 -3.783 -11.070) 13.408 53.608 ( 17.338 10.010 5.016) 20.639 55.300 ( -0.723 -0.418 -0.943) 1.260 55.693 ( 3.440 1.986 0.549) 4.010 55.815 ( -11.626 -6.712 2.010) 13.574======================= Grid point 193 (34/147) =======================q-point: (-0.08 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 364Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.097 ( -23.450 -13.539 24.636) 36.609 1.140 ( -27.576 -15.921 23.500) 39.575 1.666 ( -40.231 -23.228 33.430) 57.233 3.511 ( -5.746 -3.317 -7.174) 9.771 3.697 ( -15.212 -8.783 -8.062) 19.327 5.190 ( 19.656 11.349 8.194) 24.131 7.276 ( 11.536 6.660 -0.044) 13.320 7.484 ( 3.879 2.240 -3.836) 5.897 7.671 ( -1.745 -1.008 1.755) 2.672 7.801 ( -9.665 -5.580 -0.303) 11.164 8.473 ( -31.292 -18.066 -18.340) 40.521 9.514 ( 11.621 6.710 -3.057) 13.763 12.839 ( -16.696 -9.639 0.339) 19.282 16.595 ( -2.647 -1.528 -7.203) 7.825 16.735 ( -12.215 -7.052 -5.533) 15.151 18.970 ( -8.886 -5.130 5.097) 11.457 20.745 ( -84.205 -48.616 -92.547) 134.235 22.802 ( -1.834 -1.059 -0.118) 2.121 23.923 ( 5.953 3.437 -1.223) 6.982 23.949 ( 4.488 2.591 -0.419) 5.199 25.268 ( 0.174 0.100 0.973) 0.994 25.306 ( -2.656 -1.533 -0.434) 3.097 26.871 ( 5.150 2.974 0.219) 5.951 26.949 ( -0.593 -0.342 -3.085) 3.160 27.905 ( 4.269 2.465 0.923) 5.015 29.188 ( 2.642 1.525 -0.553) 3.101 29.194 ( 2.130 1.230 -0.815) 2.591 29.340 ( 2.164 1.250 -0.237) 2.511 33.026 ( 7.490 4.324 1.951) 8.866 33.343 ( 60.646 35.014 72.037) 100.465 51.865 ( 0.703 0.406 1.559) 1.758 52.308 ( -20.371 -11.761 -19.097) 30.298 54.113 ( 25.219 14.560 8.101) 30.226 55.288 ( -0.331 -0.191 -0.899) 0.977 55.513 ( -12.020 -6.940 3.485) 14.310 55.781 ( 2.058 1.188 -0.380) 2.406======================= Grid point 195 (35/147) =======================q-point: ( 0.08 0.08 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 676Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.492 ( 13.166 25.791 16.568) 33.362 1.592 ( 13.190 28.991 13.583) 34.626 2.357 ( 21.892 35.176 20.575) 46.259 3.701 ( 11.022 11.148 -5.822) 16.723 3.978 ( 10.145 23.627 -5.936) 26.389 4.967 ( -4.987 -6.761 0.591) 8.422 7.106 ( -5.966 -9.470 0.190) 11.194 7.497 ( 5.228 -6.649 -2.666) 8.868 7.711 ( 1.719 3.428 1.022) 3.968 7.863 ( -1.457 2.306 1.350) 3.043 8.665 ( -5.327 14.654 -3.224) 15.922 9.544 ( 9.632 -0.231 -12.882) 16.086 13.204 ( 14.997 25.837 0.375) 29.876 16.666 ( 3.461 4.461 -6.218) 8.399 17.003 ( 11.191 19.582 -4.677) 23.034 19.087 ( 2.071 13.384 2.709) 13.811 21.803 ( 27.576 32.748 -62.442) 75.709 22.842 ( 1.595 2.904 -0.070) 3.315 23.719 ( -7.464 -12.495 -0.980) 14.588 23.958 ( 0.672 1.984 -5.464) 5.852 25.265 ( -0.009 -0.570 0.948) 1.106 25.347 ( 0.939 2.981 -0.813) 3.229 26.747 ( -5.336 -9.099 0.152) 10.549 26.951 ( -0.299 -1.405 -4.082) 4.327 27.808 ( -4.289 -6.207 1.135) 7.630 29.112 ( -3.256 -5.405 -0.699) 6.349 29.164 ( -1.181 -2.844 -0.630) 3.144 29.293 ( -1.981 -2.993 -0.456) 3.618 32.547 ( -18.343 -28.497 57.619) 66.847 32.934 ( -5.112 -9.044 2.190) 10.617 51.843 ( -1.152 -1.144 1.393) 2.139 52.593 ( 9.208 12.016 -14.313) 20.833 53.636 ( -19.377 -21.555 5.979) 29.595 55.314 ( 1.035 1.250 -1.222) 2.032 55.729 ( -1.708 1.627 0.522) 2.416 55.767 ( 10.645 6.000 3.591) 12.737======================= Grid point 196 (36/147) =======================q-point: ( 0.15 0.08 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 676Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.009 ( 17.363 20.700 7.876) 28.143 2.081 ( 13.534 21.782 5.592) 26.247 2.924 ( 13.517 15.507 10.651) 23.165 4.094 ( 17.188 16.901 -2.344) 24.219 4.504 ( 16.309 23.270 -6.368) 29.121 4.943 ( 8.363 4.975 2.503) 10.048 6.896 ( -9.731 -4.666 -0.100) 10.793 7.485 ( -1.511 -2.952 0.585) 3.368 7.786 ( 2.035 0.693 0.081) 2.151 7.852 ( 8.275 -9.174 0.021) 12.355 8.688 ( -8.765 15.449 -1.667) 17.840 9.725 ( 9.467 0.323 -8.855) 12.967 13.819 ( 22.941 28.105 0.482) 36.282 16.810 ( 7.734 5.694 -5.001) 10.828 17.487 ( 19.012 23.170 -3.892) 30.223 19.318 ( 9.521 11.834 0.324) 15.192 22.189 ( -2.870 3.457 -19.864) 20.366 22.910 ( 2.534 3.182 -0.015) 4.068 23.497 ( 0.780 -18.614 -1.659) 18.704 24.060 ( 4.035 13.441 -13.563) 19.516 25.250 ( -0.823 -1.301 1.027) 1.850 25.395 ( 1.383 2.570 -0.574) 2.974 26.518 ( -8.538 -11.645 0.056) 14.440 26.889 ( -4.862 -2.682 -3.075) 6.347 27.654 ( -5.230 -6.836 0.684) 8.634 28.978 ( -4.582 -7.306 -0.713) 8.654 29.084 ( -5.327 -2.208 -0.520) 5.789 29.229 ( -1.225 -3.545 -0.849) 3.845 32.134 ( -9.664 -9.005 33.173) 35.706 32.725 ( -8.122 -9.494 0.592) 12.508 51.806 ( -1.502 -1.411 1.198) 2.384 52.817 ( -0.287 7.779 -5.406) 9.477 53.140 ( -8.817 -17.247 0.597) 19.379 55.333 ( -0.153 0.597 -0.858) 1.056 55.652 ( -5.103 -0.430 -0.641) 5.161 56.049 ( 11.612 6.081 4.130) 13.743======================= Grid point 197 (37/147) =======================q-point: ( 0.23 0.08 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 676Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.393 ( 8.885 12.294 3.386) 15.542 2.559 ( 16.929 18.492 -0.784) 25.083 3.194 ( 6.939 6.561 5.218) 10.883 4.588 ( 17.692 16.148 0.331) 23.956 4.756 ( 4.064 8.677 -4.625) 10.640 5.480 ( 27.484 20.129 5.614) 34.527 6.682 ( -11.374 -1.601 -0.436) 11.494 7.383 ( -7.144 -2.215 3.001) 8.059 7.804 ( 11.272 -15.282 -2.016) 19.096 8.001 ( 10.001 3.935 -1.196) 10.814 8.666 ( -12.545 16.812 -0.910) 20.997 9.854 ( 6.679 -3.013 -4.578) 8.640 14.486 ( 20.456 26.322 0.592) 33.342 17.067 ( 15.073 7.090 -4.082) 17.150 18.084 ( 22.189 22.564 -3.067) 31.794 19.627 ( 14.175 7.297 -0.744) 15.961 21.918 ( -23.899 -2.006 -1.837) 24.053 22.980 ( 1.581 2.319 0.371) 2.831 23.350 ( 2.528 -17.478 0.102) 17.660 24.360 ( 12.279 14.807 -15.277) 24.564 25.202 ( -2.697 -2.549 1.132) 3.879 25.443 ( 1.360 1.942 -0.238) 2.383 26.243 ( -9.122 -11.227 -0.020) 14.465 26.722 ( -10.900 -3.058 -1.601) 11.433 27.514 ( -2.528 -7.040 -0.049) 7.480 28.819 ( -4.825 -7.575 -0.768) 9.014 28.943 ( -8.188 -1.552 -0.714) 8.365 29.181 ( -0.067 -3.853 -0.941) 3.967 31.969 ( -4.047 -2.597 16.621) 17.303 32.480 ( -8.973 -9.032 0.395) 12.738 51.766 ( -1.476 -1.353 1.095) 2.282 52.524 ( -21.567 -5.213 1.789) 22.260 53.226 ( 17.188 -2.711 -3.937) 17.840 55.307 ( -1.283 -4.246 -0.309) 4.446 55.564 ( -7.094 5.089 -0.833) 8.770 56.275 ( 8.969 3.389 2.893) 10.015======================= Grid point 198 (38/147) =======================q-point: ( 0.31 0.08 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 676Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.608 ( 4.511 8.383 1.251) 9.602 2.980 ( 13.171 12.335 -4.767) 18.664 3.340 ( 4.675 3.698 4.128) 7.250 4.806 ( 4.688 2.181 1.655) 5.429 5.153 ( 16.194 21.215 -0.305) 26.691 6.060 ( 19.386 11.718 3.834) 22.974 6.466 ( -12.828 -0.030 -0.795) 12.852 7.203 ( -8.204 -6.417 4.368) 11.295 7.885 ( 13.071 -11.591 -1.836) 17.566 8.268 ( 13.455 8.070 -2.022) 15.819 8.592 ( -13.546 14.374 0.132) 19.751 9.892 ( 2.969 -5.818 -2.535) 7.006 14.998 ( 10.071 21.944 0.512) 24.150 17.467 ( 21.171 8.021 -3.242) 22.871 18.659 ( 20.502 16.076 -2.354) 26.159 19.923 ( 14.831 0.131 -0.631) 14.845 21.459 ( -26.664 2.359 2.730) 26.907 22.979 ( -2.163 -2.376 1.679) 3.625 23.261 ( 3.250 -8.779 -0.305) 9.367 24.711 ( 12.387 9.960 -12.680) 20.333 25.104 ( -5.092 -3.135 1.021) 6.066 25.474 ( 0.422 0.780 0.179) 0.905 26.009 ( -6.813 -6.741 0.021) 9.584 26.476 ( -12.873 -2.919 -0.723) 13.220 27.429 ( 0.595 -6.891 -0.356) 6.926 28.672 ( -4.078 -5.779 -0.982) 7.141 28.786 ( -7.973 -1.196 -0.954) 8.119 29.147 ( 0.515 -3.828 -0.865) 3.958 31.910 ( -1.765 -0.514 7.407) 7.632 32.256 ( -6.855 -7.144 0.475) 9.912 51.732 ( -1.096 -0.763 1.104) 1.732 52.139 ( -17.331 -2.974 1.603) 17.657 53.513 ( 18.794 -3.961 -1.735) 19.285 55.198 ( -3.814 -7.925 -0.069) 8.795 55.520 ( -6.993 10.196 -0.776) 12.388 56.427 ( 5.916 1.218 1.508) 6.226======================= Grid point 199 (39/147) =======================q-point: ( 0.38 0.08 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 676Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.728 ( 1.282 5.923 0.560) 6.086 3.250 ( 7.805 5.276 -5.449) 10.883 3.443 ( 3.128 3.311 4.754) 6.583 4.887 ( 1.980 1.567 2.558) 3.594 5.612 ( 13.432 18.528 0.275) 22.886 6.222 ( -15.185 0.159 -1.534) 15.263 6.398 ( 10.975 4.708 1.413) 12.025 6.989 ( -7.232 -8.858 5.708) 12.781 8.000 ( 8.524 -4.091 -0.864) 9.494 8.466 ( -8.887 8.815 -0.196) 12.519 8.613 ( 10.859 6.215 -0.983) 12.550 9.856 ( 0.850 -6.339 -1.497) 6.568 15.275 ( -0.276 17.364 0.239) 17.368 17.889 ( 16.865 5.934 -2.212) 18.014 19.070 ( 13.954 4.499 -2.291) 14.839 20.112 ( 11.591 -8.911 0.451) 14.628 21.111 ( -20.310 11.801 3.400) 23.735 22.891 ( -2.659 -4.066 2.265) 5.361 23.265 ( 3.057 -3.522 -0.967) 4.762 24.934 ( 2.747 1.230 -6.299) 6.981 25.009 ( -1.227 2.950 -4.177) 5.259 25.472 ( -0.576 -0.323 0.750) 0.999 25.879 ( -3.804 -1.280 0.148) 4.016 26.262 ( -8.042 -1.985 -0.401) 8.293 27.390 ( 2.539 -6.544 -0.280) 7.025 28.571 ( -2.825 -2.229 -1.507) 3.901 28.660 ( -4.778 -1.007 -0.874) 4.961 29.124 ( 1.106 -3.607 -0.795) 3.855 31.879 ( -1.601 -0.152 2.921) 3.334 32.119 ( -2.116 -4.157 0.712) 4.719 51.718 ( -0.282 0.715 1.246) 1.464 51.877 ( -11.221 0.388 1.498) 11.327 53.769 ( 17.245 -8.944 -0.189) 19.427 55.048 ( -4.486 -5.672 -0.097) 7.232 55.512 ( -6.656 11.396 -0.622) 13.212 56.507 ( 3.014 -0.531 0.316) 3.076======================= Grid point 200 (40/147) =======================q-point: ( 0.46 0.08 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 676Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.774 ( -1.512 3.864 0.702) 4.208 3.369 ( 3.370 -0.016 -2.942) 4.473 3.496 ( -0.769 1.985 4.781) 5.234 4.887 ( -2.694 -0.332 0.838) 2.840 5.917 ( -19.196 3.015 -2.628) 19.608 5.989 ( 9.694 11.901 0.955) 15.379 6.568 ( 3.604 0.286 -0.843) 3.713 6.808 ( -1.613 -6.984 6.651) 9.778 8.066 ( 1.386 -1.803 -0.367) 2.303 8.409 ( -5.147 8.363 0.088) 9.820 8.760 ( 1.289 -3.149 -1.292) 3.640 9.841 ( 4.346 -3.826 -0.151) 5.791 15.354 ( -7.969 13.325 -0.016) 15.526 18.087 ( 1.735 -1.330 -1.220) 2.504 19.204 ( 2.504 -6.604 -3.135) 7.727 20.161 ( 8.229 -13.968 1.505) 16.281 21.001 ( -11.269 19.848 2.959) 23.015 22.838 ( 0.584 -2.283 1.995) 3.088 23.274 ( 1.540 -3.077 -1.142) 3.625 24.912 ( -1.781 2.920 0.156) 3.424 25.058 ( -0.678 0.601 -10.466) 10.505 25.467 ( 0.487 0.188 1.204) 1.312 25.841 ( -1.074 1.860 0.198) 2.157 26.177 ( -0.773 0.563 -0.477) 1.069 27.382 ( 3.802 -6.038 -0.087) 7.136 28.531 ( -0.918 0.741 -2.124) 2.430 28.615 ( 0.100 0.444 -0.504) 0.679 29.114 ( 1.823 -3.244 -0.794) 3.805 31.862 ( -0.048 0.626 1.867) 1.970 32.090 ( 1.677 -1.897 0.917) 2.693 51.739 ( 0.016 0.030 1.621) 1.621 51.762 ( -3.382 6.081 1.256) 7.071 53.890 ( 10.040 -15.988 0.729) 18.894 54.972 ( 0.343 -0.633 -0.170) 0.740 55.512 ( -6.721 11.694 -0.558) 13.499 56.522 ( 0.284 -2.016 -0.513) 2.100======================= Grid point 202 (41/147) =======================q-point: (-0.46 0.08 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 676Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.752 ( -4.329 1.753 1.533) 4.915 3.344 ( -6.176 -3.633 -2.065) 7.457 3.460 ( -2.594 -0.786 6.229) 6.793 4.811 ( -3.985 -1.457 -0.649) 4.292 5.534 ( -24.636 -0.532 -3.102) 24.837 6.270 ( 7.250 11.370 0.543) 13.496 6.424 ( -12.057 -7.810 1.909) 14.492 6.895 ( 10.304 1.666 2.317) 10.692 8.012 ( -0.262 -9.015 -0.402) 9.028 8.466 ( -2.565 14.473 -0.145) 14.700 8.600 ( -10.964 -8.414 -1.525) 13.905 9.912 ( 6.500 -3.749 0.827) 7.549 15.266 ( -15.222 8.737 -0.130) 17.551 17.915 ( -13.056 -11.043 -1.129) 17.137 19.038 ( -11.191 -10.341 -3.472) 15.628 20.123 ( 3.464 -14.970 1.054) 15.401 21.106 ( -2.189 24.590 2.460) 24.810 22.868 ( 4.581 -0.990 1.422) 4.898 23.254 ( 0.415 -4.125 -1.374) 4.367 24.950 ( -1.611 0.237 -4.191) 4.496 24.980 ( -3.148 0.398 -6.078) 6.856 25.491 ( 1.195 0.749 1.197) 1.850 25.880 ( 3.040 2.681 0.173) 4.057 26.247 ( 5.242 5.695 -0.922) 7.795 27.400 ( 4.865 -5.274 0.101) 7.176 28.559 ( 3.090 1.259 -2.032) 3.907 28.668 ( 3.288 3.728 -0.528) 4.998 29.122 ( 2.568 -2.803 -0.841) 3.894 31.894 ( 2.104 1.494 3.605) 4.434 32.134 ( 4.882 -0.252 1.122) 5.015 51.721 ( -0.202 0.558 1.397) 1.517 51.878 ( 5.112 9.895 1.522) 11.241 53.797 ( 0.774 -19.398 0.920) 19.436 55.047 ( 7.132 1.029 -0.110) 7.207 55.514 ( -6.700 12.009 -0.565) 13.763 56.477 ( -2.468 -3.328 -0.878) 4.235======================= Grid point 203 (42/147) =======================q-point: (-0.38 0.08 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 676Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.654 ( -7.915 -0.671 3.127) 8.537 3.072 ( -18.295 -6.557 -0.368) 19.439 3.393 ( -3.769 -3.202 6.375) 8.069 4.745 ( -2.056 -2.131 -1.336) 3.248 5.068 ( -27.469 -0.244 -4.175) 27.785 6.014 ( -23.101 -11.449 2.206) 25.876 6.503 ( 6.070 10.368 0.716) 12.035 7.101 ( 9.073 4.144 0.119) 9.975 7.915 ( 4.554 -16.462 -0.553) 17.089 8.291 ( -13.527 -7.497 -0.981) 15.497 8.580 ( -4.325 19.316 -0.437) 19.799 9.944 ( 2.411 -6.721 -0.292) 7.147 14.985 ( -24.095 2.336 -0.037) 24.208 17.495 ( -17.939 -14.626 -2.082) 23.239 18.632 ( -23.642 -9.252 -3.404) 25.615 19.968 ( -4.411 -14.200 1.290) 14.925 21.409 ( 6.917 26.349 -0.453) 27.246 22.956 ( 5.173 -0.446 1.041) 5.295 23.221 ( 2.850 -6.238 -1.937) 7.126 24.719 ( -14.610 -5.446 -11.149) 19.168 25.083 ( 5.412 2.956 0.317) 6.175 25.501 ( -0.575 -0.247 0.949) 1.137 26.010 ( 9.302 2.483 0.064) 9.628 26.455 ( 8.736 9.806 -1.431) 13.211 27.448 ( 6.077 -3.978 0.281) 7.268 28.660 ( 7.060 1.051 -1.559) 7.306 28.790 ( 4.817 6.034 -0.680) 7.751 29.147 ( 3.180 -2.354 -0.862) 4.049 31.949 ( 2.697 0.913 9.030) 9.468 32.265 ( 9.324 2.025 0.580) 9.559 51.739 ( 1.468 0.405 1.407) 2.074 52.130 ( 10.411 13.172 1.253) 16.836 53.573 ( -3.531 -18.779 0.586) 19.117 55.195 ( 8.584 -0.753 -0.170) 8.618 55.527 ( -5.411 12.019 -0.553) 13.193 56.370 ( -5.468 -4.328 -0.661) 7.005======================= Grid point 204 (43/147) =======================q-point: (-0.31 0.08 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 676Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.449 ( -13.973 -3.995 5.703) 15.612 2.617 ( -25.110 -7.013 2.104) 26.156 3.244 ( -9.369 -4.891 7.749) 13.105 4.490 ( -25.545 -3.871 -4.106) 26.161 4.801 ( -2.104 1.386 -5.010) 5.608 5.389 ( -34.419 -11.786 3.558) 36.554 6.706 ( 6.603 8.633 0.558) 10.883 7.269 ( 4.631 5.213 -1.715) 7.181 7.856 ( 7.429 -16.212 0.104) 17.833 8.026 ( -8.087 -7.003 -0.106) 10.698 8.694 ( -4.926 19.141 0.147) 19.765 9.852 ( -3.985 -8.516 -4.473) 10.412 14.476 ( -32.855 -4.207 0.197) 33.124 17.079 ( -14.473 -10.066 -3.551) 17.983 18.071 ( -30.216 -7.371 -3.567) 31.306 19.703 ( -10.678 -11.687 2.329) 16.001 21.817 ( 9.031 23.418 -7.795) 26.281 22.981 ( -2.085 -0.546 0.613) 2.241 23.282 ( 12.918 -8.229 -2.052) 15.453 24.382 ( -17.684 -3.831 -12.553) 22.022 25.187 ( 3.680 1.563 0.531) 4.034 25.468 ( -2.285 -1.064 0.444) 2.560 26.244 ( 14.330 2.204 0.032) 14.498 26.702 ( 8.050 8.475 -2.110) 11.878 27.536 ( 7.576 -1.899 0.529) 7.829 28.813 ( 9.127 0.731 -1.082) 9.220 28.941 ( 5.152 6.194 -0.761) 8.092 29.184 ( 3.550 -1.856 -0.797) 4.085 32.017 ( 4.993 0.582 18.442) 19.115 32.482 ( 12.138 3.083 0.159) 12.524 51.774 ( 2.090 0.266 1.457) 2.562 52.478 ( 12.218 14.798 -0.079) 19.190 53.336 ( -1.584 -17.244 0.230) 17.318 55.300 ( 4.038 -0.709 -0.598) 4.143 55.578 ( -0.857 9.133 -0.416) 9.182 56.202 ( -8.803 -4.429 0.350) 9.860======================= Grid point 205 (44/147) =======================q-point: (-0.23 0.08 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 676Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.034 ( -26.850 -7.148 8.581) 29.080 2.128 ( -24.826 -4.700 8.045) 26.517 2.936 ( -21.682 -5.421 11.622) 25.191 4.023 ( -23.702 -0.318 -5.535) 24.342 4.580 ( -32.650 -9.990 -5.529) 34.589 4.889 ( -1.353 1.480 2.029) 2.852 6.908 ( 8.555 5.473 0.394) 10.164 7.379 ( 2.596 5.842 -3.118) 7.113 7.801 ( -4.353 -2.091 0.466) 4.852 7.899 ( 5.191 -13.317 1.611) 14.383 8.774 ( -3.290 8.832 2.422) 9.730 9.661 ( -9.222 -4.065 -11.925) 15.613 13.816 ( -35.696 -5.518 0.350) 36.122 16.806 ( -9.382 -3.633 -5.061) 11.262 17.484 ( -29.346 -4.614 -3.967) 29.970 19.386 ( -13.589 -8.424 3.010) 16.269 22.078 ( -4.286 13.467 -25.787) 29.406 22.913 ( -4.030 -0.842 0.112) 4.119 23.471 ( 16.624 -6.196 -1.176) 17.780 24.084 ( -13.202 0.431 -11.883) 17.767 25.243 ( 1.642 0.702 0.736) 1.932 25.410 ( -2.952 -1.197 -0.263) 3.196 26.519 ( 14.377 1.467 0.095) 14.452 26.878 ( 4.858 3.884 -3.181) 6.986 27.668 ( 8.482 -0.141 0.853) 8.526 28.977 ( 8.782 0.391 -0.771) 8.825 29.078 ( 4.404 3.897 -0.748) 5.928 29.233 ( 3.747 -0.961 -0.643) 3.921 32.167 ( 12.751 0.996 34.166) 36.481 32.725 ( 12.208 2.284 0.325) 12.424 51.813 ( 2.059 0.008 1.468) 2.529 52.726 ( -2.735 8.980 -6.222) 11.262 53.286 ( 16.632 -10.635 3.046) 19.976 55.328 ( -0.485 0.971 -1.106) 1.550 55.665 ( 2.887 3.775 -0.437) 4.773 55.984 ( -12.183 -2.144 2.429) 12.606======================= Grid point 210 (45/147) =======================q-point: ( 0.15 0.15 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 676Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.390 ( 7.682 16.056 5.347) 18.585 2.530 ( 11.015 22.927 0.931) 25.453 3.176 ( 4.161 9.847 6.992) 12.773 4.488 ( 14.917 20.094 -1.451) 25.068 4.795 ( 2.103 7.876 -6.455) 10.398 5.293 ( 19.652 27.716 5.504) 34.419 6.808 ( -3.800 -4.635 0.032) 5.994 7.425 ( 7.563 -4.923 -2.751) 9.434 7.582 ( -12.749 -8.468 2.321) 15.480 7.948 ( 4.354 9.223 -0.653) 10.220 8.912 ( 2.032 6.036 -0.000) 6.369 9.738 ( 1.499 1.408 -5.477) 5.851 14.442 ( 19.169 32.675 0.484) 37.886 16.964 ( 5.602 10.306 -4.151) 12.443 18.003 ( 16.009 27.074 -3.238) 31.619 19.552 ( 3.955 11.029 1.378) 11.798 22.151 ( -1.013 -7.631 -8.244) 11.279 22.982 ( 2.325 3.636 0.033) 4.316 23.147 ( -6.577 -14.626 -0.887) 16.061 24.345 ( 7.850 14.914 -12.515) 20.992 25.208 ( -1.251 -3.074 0.820) 3.419 25.449 ( 0.662 2.619 -0.079) 2.703 26.263 ( -7.477 -12.894 0.018) 14.905 26.808 ( -2.612 -5.848 -2.237) 6.784 27.500 ( -5.550 -8.117 0.543) 9.848 28.821 ( -4.430 -7.971 -0.833) 9.158 29.022 ( -2.261 -4.227 -0.610) 4.832 29.148 ( -2.519 -4.062 -1.001) 4.883 32.008 ( -3.966 -4.050 19.462) 20.270 32.513 ( -6.589 -11.298 0.186) 13.080 51.774 ( -1.263 -1.693 1.243) 2.451 52.772 ( -2.972 -18.507 1.343) 18.792 52.991 ( -4.534 9.212 -2.455) 10.557 55.299 ( -2.132 -4.051 -0.536) 4.609 55.677 ( 0.420 2.451 -1.384) 2.846 56.172 ( 6.621 6.286 2.423) 9.446======================= Grid point 211 (46/147) =======================q-point: ( 0.23 0.15 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 676Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.628 ( 4.820 10.792 2.674) 12.118 2.923 ( 10.022 16.973 -4.005) 20.114 3.310 ( 3.515 5.138 5.506) 8.311 4.746 ( 4.884 3.414 2.052) 6.303 5.135 ( 14.054 24.986 -2.619) 28.787 5.867 ( 18.138 17.592 3.804) 25.552 6.681 ( -8.817 1.050 -0.519) 8.895 7.284 ( -10.253 -10.859 2.850) 15.203 7.552 ( 12.521 -4.602 -2.247) 13.528 8.159 ( 8.715 10.018 -1.416) 13.353 8.936 ( -8.372 9.562 -0.001) 12.709 9.753 ( 3.333 -6.422 -2.138) 7.544 15.066 ( 14.430 30.453 0.674) 33.706 17.228 ( 13.813 9.548 -3.553) 17.164 18.524 ( 15.588 19.695 -2.305) 25.223 19.731 ( 7.826 3.353 1.129) 8.589 21.914 ( -19.205 0.417 -1.050) 19.239 22.953 ( -0.453 -11.953 0.220) 11.964 23.076 ( 5.901 -1.710 -0.727) 6.187 24.638 ( 9.149 12.851 -10.933) 19.193 25.137 ( -2.713 -3.727 0.847) 4.688 25.479 ( 0.262 1.516 0.030) 1.539 26.038 ( -5.476 -8.327 0.013) 9.966 26.656 ( -9.301 -4.073 -1.222) 10.227 27.340 ( -1.842 -9.856 0.044) 10.027 28.677 ( -3.590 -6.208 -0.909) 7.229 28.908 ( -6.963 -2.039 -0.732) 7.292 29.082 ( 0.612 -5.880 -1.062) 6.007 31.936 ( -1.954 -0.879 9.725) 9.958 32.289 ( -6.630 -9.643 0.178) 11.704 51.740 ( -0.937 -1.066 1.154) 1.829 52.431 ( -17.145 -4.499 2.001) 17.838 53.150 ( 14.009 -4.010 -1.614) 14.661 55.190 ( -3.642 -6.571 -0.167) 7.514 55.715 ( -2.736 8.646 -1.490) 9.191 56.327 ( 6.387 1.960 1.660) 6.884======================= Grid point 212 (47/147) =======================q-point: ( 0.31 0.15 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 676Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.781 ( 1.662 8.595 1.297) 8.849 3.185 ( 6.159 6.952 -6.062) 11.091 3.424 ( 3.860 5.230 5.727) 8.663 4.857 ( 4.119 3.174 4.360) 6.786 5.611 ( 11.630 23.231 -1.096) 26.003 6.247 ( 11.897 7.185 1.517) 13.981 6.521 ( -13.622 5.733 -0.915) 14.808 7.013 ( -7.612 -12.195 3.694) 14.843 7.757 ( 14.190 -2.159 -1.080) 14.394 8.427 ( 10.803 7.500 -1.533) 13.240 8.830 ( -13.679 9.191 0.772) 16.498 9.731 ( 3.625 -9.607 -1.081) 10.325 15.503 ( 2.173 27.507 0.674) 27.601 17.621 ( 19.868 8.047 -2.890) 21.630 18.892 ( 11.377 5.765 -1.546) 12.848 19.866 ( 7.899 -4.646 1.722) 9.325 21.599 ( -21.057 9.986 0.530) 23.311 22.845 ( 0.900 -10.761 0.666) 10.819 23.155 ( 4.751 -1.627 -0.684) 5.068 24.885 ( 6.469 7.379 -8.973) 13.297 25.067 ( -2.159 0.219 0.165) 2.177 25.482 ( -0.817 -0.126 0.249) 0.864 25.919 ( -2.480 -1.984 0.064) 3.176 26.426 ( -12.239 -2.580 -0.563) 12.521 27.246 ( 2.834 -11.011 -0.212) 11.371 28.584 ( -1.795 -2.797 -1.043) 3.483 28.761 ( -7.550 -1.193 -0.976) 7.705 29.045 ( 2.009 -6.239 -0.920) 6.618 31.907 ( -1.457 0.191 4.078) 4.335 32.112 ( -3.618 -6.997 0.358) 7.885 51.725 ( -0.168 0.126 1.279) 1.296 52.136 ( -15.406 2.524 1.627) 15.696 53.345 ( 17.008 -11.970 -0.192) 20.798 55.060 ( -3.710 -5.754 -0.122) 6.847 55.749 ( -5.321 12.001 -1.141) 13.177 56.429 ( 4.743 -0.943 0.641) 4.878======================= Grid point 213 (48/147) =======================q-point: ( 0.38 0.15 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 676Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.859 ( -1.603 6.846 0.665) 7.063 3.300 ( 4.097 -0.157 -3.304) 5.265 3.524 ( 1.217 4.314 4.477) 6.335 4.926 ( -0.250 2.495 3.974) 4.699 5.975 ( 7.322 14.405 -0.656) 16.172 6.328 ( -18.027 12.462 -1.276) 21.953 6.462 ( 8.522 2.150 -0.330) 8.795 6.783 ( -5.273 -10.749 4.346) 12.737 7.952 ( 9.489 -3.288 -0.125) 10.043 8.604 ( -0.763 5.395 -0.942) 5.529 8.716 ( -4.317 4.650 0.813) 6.397 9.704 ( 4.395 -8.422 -0.455) 9.511 15.699 ( -8.661 23.938 0.460) 25.461 17.982 ( 11.462 3.938 -1.748) 12.245 19.030 ( 6.957 -8.445 -2.059) 11.133 19.911 ( 6.242 -9.713 2.594) 11.834 21.425 ( -14.829 17.875 0.731) 23.237 22.772 ( 1.940 -8.285 0.499) 8.524 23.201 ( 2.859 -2.453 -0.632) 3.820 24.981 ( -0.658 4.507 -2.844) 5.370 25.084 ( -0.358 3.617 -5.715) 6.773 25.460 ( -0.269 -0.963 0.733) 1.240 25.894 ( -1.600 2.787 0.040) 3.214 26.233 ( -6.374 -1.029 -0.366) 6.467 27.210 ( 5.578 -11.036 -0.150) 12.367 28.560 ( -0.467 1.210 -1.471) 1.961 28.643 ( -4.181 -0.663 -0.805) 4.309 29.026 ( 2.873 -6.036 -0.861) 6.740 31.881 ( -1.471 0.367 1.539) 2.160 32.036 ( 0.912 -4.037 0.675) 4.193 51.735 ( 0.539 0.636 1.600) 1.804 51.961 ( -10.414 8.163 1.312) 13.297 53.476 ( 15.273 -18.874 0.656) 24.289 54.968 ( -1.517 -2.622 -0.172) 3.034 55.769 ( -6.977 13.335 -0.791) 15.071 56.473 ( 2.546 -2.854 -0.229) 3.832======================= Grid point 214 (49/147) =======================q-point: (-0.54 0.15 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 676Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.863 ( -4.515 4.610 0.759) 6.497 3.336 ( 1.684 -2.969 -1.904) 3.908 3.532 ( -3.812 1.313 4.990) 6.415 4.890 ( -5.218 0.741 2.524) 5.844 5.954 ( -18.476 2.699 -1.767) 18.756 6.341 ( -0.379 19.548 -0.318) 19.554 6.506 ( -5.322 -6.096 0.446) 8.105 6.720 ( 8.990 -0.864 2.558) 9.386 7.955 ( -1.470 -10.013 -0.048) 10.121 8.646 ( -2.656 12.473 0.862) 12.782 8.666 ( -4.132 -3.065 -1.300) 5.306 9.729 ( 7.309 -7.434 0.604) 10.442 15.695 ( -16.786 19.281 0.266) 25.565 18.001 ( -7.875 -7.190 -0.987) 10.709 19.007 ( 2.290 -11.045 -2.918) 11.651 19.911 ( 5.330 -10.257 2.617) 11.852 21.437 ( -7.332 22.616 0.964) 23.794 22.752 ( 4.643 -6.992 -0.231) 8.396 23.203 ( 0.727 -3.393 -0.525) 3.510 24.999 ( -2.392 4.811 -0.802) 5.432 25.059 ( -4.620 -0.141 -7.731) 9.007 25.471 ( 1.759 0.153 0.941) 2.001 25.895 ( -1.609 2.863 0.087) 3.286 26.225 ( 3.484 4.704 -0.652) 5.890 27.215 ( 7.192 -10.181 0.020) 12.465 28.551 ( -1.143 0.847 -1.798) 2.293 28.651 ( 2.882 3.514 -0.505) 4.573 29.024 ( 3.709 -5.594 -0.914) 6.774 31.883 ( 0.783 1.343 1.675) 2.285 32.044 ( 3.636 -2.576 0.898) 4.545 51.736 ( -0.751 -0.141 1.617) 1.788 51.962 ( -1.797 13.081 1.355) 13.273 53.483 ( 9.494 -22.606 0.935) 24.536 54.968 ( 3.017 0.007 -0.170) 3.022 55.773 ( -7.755 13.013 -0.624) 15.161 56.461 ( 0.093 -3.973 -0.694) 4.034======================= Grid point 215 (50/147) =======================q-point: (-0.46 0.15 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 676Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.794 ( -7.301 2.012 1.648) 7.750 3.263 ( -7.913 -4.256 -3.772) 9.744 3.437 ( -5.546 -1.312 7.476) 9.401 4.796 ( -5.181 0.137 1.866) 5.508 5.578 ( -27.422 3.799 -2.693) 27.814 6.245 ( -14.332 -7.263 1.503) 16.137 6.547 ( 2.330 13.361 0.095) 13.563 6.938 ( 13.309 2.668 0.769) 13.595 7.770 ( -4.189 -13.551 -0.570) 14.195 8.447 ( -11.958 -6.073 -0.722) 13.431 8.804 ( -0.421 17.014 -0.264) 17.022 9.776 ( 6.855 -9.143 0.819) 11.457 15.493 ( -25.065 12.034 0.252) 27.805 17.649 ( -16.955 -13.856 -1.773) 21.968 18.863 ( -10.327 -6.073 -2.632) 12.266 19.870 ( 0.734 -9.416 1.960) 9.646 21.616 ( 0.605 24.004 0.488) 24.017 22.795 ( 8.148 -6.645 -1.117) 10.573 23.160 ( -1.242 -4.195 -0.396) 4.393 24.900 ( -10.693 -2.435 -8.790) 14.054 25.041 ( 1.954 2.874 0.120) 3.478 25.500 ( 0.782 0.110 0.730) 1.076 25.920 ( 2.922 1.137 0.091) 3.137 26.411 ( 8.097 9.580 -1.096) 12.591 27.258 ( 8.469 -8.114 0.203) 11.730 28.575 ( 3.330 0.513 -1.434) 3.662 28.768 ( 4.617 5.795 -0.664) 7.439 29.042 ( 4.458 -4.912 -1.011) 6.710 31.920 ( 1.605 0.945 4.674) 5.032 32.121 ( 7.710 -0.776 0.603) 7.773 51.727 ( 0.126 0.115 1.370) 1.381 52.134 ( 5.227 14.449 1.564) 15.445 53.367 ( 3.070 -21.359 0.657) 21.588 55.060 ( 6.770 0.355 -0.141) 6.780 55.760 ( -7.558 10.787 -0.732) 13.192 56.399 ( -2.625 -3.975 -0.522) 4.792======================= Grid point 216 (51/147) =======================q-point: (-0.38 0.15 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 676Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.645 ( -11.036 -0.477 3.212) 11.503 2.965 ( -20.252 -3.956 -2.096) 20.741 3.330 ( -5.448 -2.492 6.588) 8.904 4.719 ( -4.955 0.016 0.790) 5.018 5.114 ( -28.422 2.830 -3.883) 28.826 5.839 ( -25.732 -4.577 2.847) 26.291 6.699 ( 3.550 6.703 0.240) 7.589 7.209 ( 11.691 7.213 -0.431) 13.744 7.591 ( 0.540 -13.825 -0.471) 13.843 8.174 ( -12.901 -3.737 -0.782) 13.454 8.930 ( -3.091 12.461 -0.305) 12.842 9.773 ( 2.890 -7.959 -1.208) 8.553 15.059 ( -33.537 3.306 0.393) 33.702 17.241 ( -15.504 -8.377 -3.016) 17.879 18.513 ( -24.541 -2.604 -2.737) 24.830 19.746 ( -5.600 -6.601 1.788) 8.839 21.907 ( 6.993 18.280 -2.215) 19.697 22.906 ( 11.048 -3.806 -1.302) 11.758 23.083 ( -1.999 -4.773 -0.280) 5.182 24.644 ( -15.570 -2.026 -10.224) 18.736 25.127 ( 4.684 1.386 0.518) 4.912 25.492 ( -1.338 -0.635 0.399) 1.534 26.038 ( 9.966 0.553 0.019) 9.981 26.644 ( 8.116 6.967 -1.580) 10.812 27.352 ( 9.620 -4.244 0.395) 10.522 28.673 ( 7.216 0.401 -1.099) 7.310 28.909 ( 5.033 4.895 -0.659) 7.052 29.081 ( 4.934 -3.460 -1.065) 6.120 31.954 ( 2.325 -0.406 10.485) 10.747 32.292 ( 11.556 0.619 0.145) 11.573 51.743 ( 1.502 0.005 1.269) 1.966 52.418 ( 11.368 13.021 1.453) 17.346 53.184 ( -1.712 -16.563 -0.262) 16.653 55.189 ( 7.415 0.009 -0.224) 7.418 55.726 ( -6.006 5.998 -1.126) 8.562 56.295 ( -5.671 -1.954 0.533) 6.021======================= Grid point 224 (52/147) =======================q-point: ( 0.23 0.23 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 676Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.816 ( 4.279 7.880 1.812) 9.148 3.190 ( 2.125 8.455 -5.505) 10.311 3.419 ( 3.327 6.412 7.041) 10.087 4.817 ( 4.458 4.185 4.108) 7.367 5.632 ( 14.044 23.151 -2.250) 27.171 6.166 ( 7.422 12.317 1.570) 14.466 6.709 ( -0.051 1.419 -0.255) 1.442 6.997 ( -5.878 -15.193 1.455) 16.355 7.588 ( 2.550 5.499 -1.084) 6.158 8.376 ( 5.671 11.147 -0.783) 12.531 9.027 ( 0.797 -0.749 0.000) 1.094 9.630 ( -4.763 -4.996 0.193) 6.905 15.642 ( 15.144 25.499 0.801) 29.668 17.474 ( 7.883 15.481 -2.822) 17.600 18.811 ( 5.663 8.069 -1.667) 9.998 19.772 ( 0.405 0.872 2.109) 2.318 21.899 ( -2.711 -2.224 -0.339) 3.523 22.703 ( -2.820 -9.829 -1.889) 10.399 23.113 ( 0.999 2.561 0.321) 2.767 24.870 ( 5.359 10.217 -8.405) 14.274 25.078 ( 0.064 -1.390 0.528) 1.488 25.495 ( -0.736 -0.154 0.247) 0.791 25.929 ( -1.438 -2.462 0.049) 2.851 26.541 ( -3.850 -7.807 -1.000) 8.762 27.147 ( -5.542 -8.639 0.146) 10.265 28.582 ( -1.494 -3.052 -1.080) 3.566 28.854 ( -2.607 -3.825 -0.508) 4.656 28.965 ( -2.635 -5.026 -1.317) 5.826 31.926 ( -0.643 -0.328 5.028) 5.079 32.110 ( -4.828 -7.852 0.106) 9.218 51.728 ( -0.141 -0.126 1.315) 1.328 52.334 ( -2.770 -5.167 1.847) 6.146 53.089 ( -1.943 -1.898 -0.009) 2.716 55.063 ( -3.340 -5.820 -0.145) 6.712 55.877 ( 3.406 7.053 -1.309) 7.941 56.358 ( 1.994 1.269 0.414) 2.399======================= Grid point 225 (53/147) =======================q-point: ( 0.31 0.23 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 676Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.943 ( 1.154 7.471 1.080) 7.636 3.244 ( 1.223 -0.307 -3.120) 3.365 3.540 ( 2.480 5.399 4.637) 7.537 4.937 ( 3.203 4.689 5.570) 7.955 6.008 ( 6.537 14.758 -1.624) 16.222 6.356 ( 5.894 4.083 0.010) 7.170 6.716 ( -7.894 8.694 0.821) 11.772 6.768 ( -4.899 -5.544 0.937) 7.457 7.715 ( 9.670 -4.191 -0.302) 10.543 8.572 ( 5.677 7.381 -0.483) 9.324 8.947 ( -9.474 1.999 0.753) 9.712 9.544 ( 2.428 -8.018 0.133) 8.379 16.037 ( 1.149 23.954 1.089) 24.006 17.818 ( 14.059 12.388 -2.494) 18.904 18.861 ( 1.205 -8.685 -1.252) 8.857 19.768 ( 1.557 -4.705 2.755) 5.670 21.819 ( -10.509 11.582 -0.528) 15.648 22.601 ( 3.407 -12.830 -1.378) 13.346 23.152 ( 1.495 0.572 0.248) 1.620 25.017 ( 2.250 6.323 -6.333) 9.228 25.120 ( 1.941 4.514 -0.647) 4.956 25.461 ( -1.633 -2.213 0.222) 2.760 25.932 ( 0.846 3.251 -0.016) 3.359 26.359 ( -8.967 -4.521 -0.492) 10.055 27.014 ( 1.800 -11.264 -0.059) 11.407 28.566 ( 0.756 1.071 -1.042) 1.674 28.740 ( -6.892 -0.888 -0.827) 6.998 28.906 ( 2.500 -7.379 -1.072) 7.864 31.913 ( -1.375 0.333 1.852) 2.330 31.987 ( -1.107 -5.154 0.271) 5.279 51.733 ( 0.365 0.568 1.598) 1.735 52.237 ( -9.091 7.515 1.485) 11.888 53.066 ( 8.594 -15.200 0.640) 17.473 54.968 ( -2.002 -3.429 -0.176) 3.974 55.978 ( -1.941 10.570 -1.074) 10.800 56.390 ( 2.645 -2.903 -0.077) 3.928======================= Grid point 226 (54/147) =======================q-point: ( 0.38 0.23 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 676Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.991 ( -3.688 6.132 0.527) 7.175 3.260 ( 2.965 -3.368 -1.148) 4.631 3.592 ( -1.051 2.263 4.074) 4.777 4.984 ( -2.727 2.941 5.165) 6.539 6.142 ( -2.316 4.398 -1.476) 5.185 6.475 ( 4.407 -0.238 -0.920) 4.509 6.572 ( -2.631 -4.981 2.973) 6.369 6.759 ( -12.103 21.863 -0.990) 25.010 7.787 ( 7.707 -13.500 0.216) 15.546 8.701 ( -0.160 3.755 -0.336) 3.774 8.816 ( -5.561 5.669 0.905) 7.992 9.537 ( 5.309 -7.705 0.385) 9.365 16.162 ( -11.696 19.922 1.029) 23.124 18.064 ( -1.521 4.468 -1.505) 4.954 18.774 ( 7.479 -14.972 -2.181) 16.878 19.753 ( 3.293 -5.641 3.246) 7.294 21.792 ( -9.624 18.128 -0.500) 20.530 22.556 ( 6.407 -12.906 -1.523) 14.489 23.170 ( 0.601 -0.800 0.263) 1.035 25.085 ( -1.017 4.100 -5.307) 6.783 25.158 ( -4.376 4.428 -1.664) 6.445 25.429 ( 1.880 -2.241 0.534) 2.973 25.981 ( -2.791 5.098 -0.080) 5.812 26.222 ( -0.491 0.165 -0.410) 0.660 26.977 ( 6.605 -11.133 -0.024) 12.945 28.609 ( -2.634 2.469 -1.589) 3.945 28.643 ( 0.270 1.756 -0.361) 1.813 28.890 ( 4.036 -7.200 -1.025) 8.318 31.892 ( -0.610 0.747 0.681) 1.180 31.964 ( 2.101 -2.973 0.603) 3.690 51.742 ( -0.062 0.117 1.800) 1.805 52.192 ( -8.208 14.241 1.232) 16.484 53.068 ( 12.069 -20.657 0.994) 23.946 54.933 ( 0.604 -1.042 -0.199) 1.220 56.017 ( -6.054 10.945 -0.760) 12.531 56.394 ( 2.406 -4.872 -0.565) 5.463======================= Grid point 228 (55/147) =======================q-point: (-0.54 0.23 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 676Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.941 ( -6.827 2.674 0.898) 7.387 3.268 ( 0.981 -3.148 -2.157) 3.940 3.545 ( -5.759 0.125 4.983) 7.616 4.915 ( -6.757 1.504 4.664) 8.347 6.009 ( -16.596 1.946 -1.705) 16.796 6.372 ( -7.388 -4.600 0.503) 8.717 6.689 ( 4.977 8.354 0.774) 9.755 6.764 ( -1.176 6.965 -0.045) 7.064 7.715 ( -0.978 -10.491 -0.322) 10.541 8.585 ( -9.253 -2.433 0.007) 9.567 8.927 ( 2.803 10.708 -0.011) 11.068 9.564 ( 6.616 -7.480 0.944) 10.030 16.033 ( -21.506 11.288 0.899) 24.305 17.833 ( -17.473 -7.208 -1.864) 18.993 18.844 ( 6.625 -3.969 -1.888) 7.951 19.768 ( 3.281 -3.732 2.765) 5.687 21.837 ( -4.278 14.003 -0.012) 14.642 22.576 ( 8.359 -7.962 -2.205) 11.753 23.156 ( -1.044 -1.260 0.364) 1.676 25.037 ( -6.709 -0.646 -7.353) 9.975 25.095 ( -4.786 2.900 0.327) 5.606 25.469 ( 2.890 -0.377 0.414) 2.943 25.933 ( -3.289 0.808 0.031) 3.387 26.352 ( 8.170 5.992 -0.742) 10.159 27.018 ( 9.084 -7.478 0.102) 11.767 28.561 ( -1.322 0.307 -1.240) 1.839 28.747 ( 4.197 5.221 -0.531) 6.720 28.903 ( 5.107 -5.879 -1.215) 7.882 31.912 ( 0.783 1.316 1.814) 2.374 31.994 ( 4.989 -2.043 0.509) 5.415 51.734 ( -0.645 -0.054 1.608) 1.734 52.237 ( -1.998 11.590 1.480) 11.853 53.070 ( 9.193 -15.372 0.807) 17.929 54.968 ( 3.964 0.019 -0.174) 3.968 55.984 ( -7.956 6.634 -0.844) 10.393 56.380 ( 0.690 -3.069 -0.458) 3.179======================= Grid point 239 (56/147) =======================q-point: ( 0.31 0.31 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 676Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.074 ( 3.304 5.365 0.491) 6.320 3.201 ( -2.405 -3.415 -0.644) 4.226 3.614 ( 0.957 1.785 3.956) 4.445 5.022 ( 1.957 2.879 5.903) 6.852 6.187 ( 2.135 3.885 -1.152) 4.581 6.431 ( 1.050 3.845 -0.537) 4.022 6.545 ( -3.063 -7.801 0.883) 8.427 7.098 ( 10.227 17.820 -0.107) 20.546 7.547 ( -6.643 -11.591 0.080) 13.360 8.732 ( 4.162 8.152 0.295) 9.158 8.902 ( -2.585 -5.667 0.412) 6.243 9.441 ( -1.658 -2.329 0.654) 2.933 16.385 ( 5.494 9.390 1.555) 10.990 18.127 ( 9.412 17.246 -2.091) 19.758 18.582 ( -9.207 -16.916 -1.805) 19.344 19.695 ( -1.227 -2.105 3.403) 4.185 22.047 ( 5.285 10.275 -1.128) 11.609 22.354 ( -5.489 -10.725 -1.943) 12.204 23.162 ( 0.132 0.305 0.519) 0.616 25.117 ( 1.153 2.607 -6.316) 6.929 25.233 ( 4.327 6.345 0.156) 7.682 25.389 ( -3.037 -4.663 0.171) 5.567 26.043 ( 4.040 7.160 -0.143) 8.222 26.235 ( -4.128 -7.466 -0.397) 8.541 26.842 ( -2.848 -4.810 0.027) 5.590 28.624 ( 2.846 4.509 -0.921) 5.411 28.719 ( -1.993 -2.410 -0.362) 3.148 28.770 ( -2.321 -4.661 -1.596) 5.446 31.915 ( 1.057 -1.428 0.475) 1.839 31.918 ( -2.147 -0.367 0.436) 2.222 51.743 ( 0.150 0.261 1.850) 1.875 52.423 ( 5.742 9.923 1.251) 11.532 52.771 ( -7.458 -12.827 1.015) 14.872 54.923 ( -0.656 -1.135 -0.207) 1.328 56.159 ( 3.803 6.924 -0.811) 7.941 56.316 ( -2.193 -4.195 -0.561) 4.767======================= Grid point 362 (57/147) =======================q-point: ( 0.00 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 147Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.405 ( 0.000 -0.000 34.050) 34.050 1.405 ( 0.000 -0.000 34.050) 34.050 2.173 ( 0.000 0.000 53.385) 53.385 3.282 ( 0.000 0.000 -12.349) 12.349 3.282 ( 0.000 -0.000 -12.349) 12.349 5.462 ( 0.000 0.000 -25.458) 25.458 7.504 ( 0.000 0.000 0.006) 0.006 7.504 ( 0.000 -0.000 0.006) 0.006 7.585 ( 0.000 -0.000 -0.592) 0.592 7.585 ( -0.000 -0.000 -0.592) 0.592 7.715 ( 0.000 0.000 2.944) 2.944 9.787 ( 0.000 0.000 0.640) 0.640 12.648 ( 0.000 -0.000 0.465) 0.465 16.395 ( 0.000 -0.000 -9.687) 9.687 16.395 ( 0.000 0.000 -9.687) 9.687 18.938 ( 0.000 0.000 4.996) 4.996 18.938 ( 0.000 0.000 4.996) 4.996 22.777 ( 0.000 0.000 -0.212) 0.212 23.998 ( 0.000 -0.000 -0.492) 0.492 23.998 ( -0.000 0.000 -0.492) 0.492 25.296 ( 0.000 0.000 1.528) 1.528 25.296 ( 0.000 -0.000 1.528) 1.528 26.936 ( 0.000 -0.000 0.309) 0.309 26.936 ( 0.000 -0.000 0.309) 0.309 27.968 ( 0.000 0.000 0.570) 0.570 29.201 ( -0.000 -0.000 -0.958) 0.958 29.201 ( 0.000 -0.000 -0.958) 0.958 29.363 ( 0.000 0.000 -0.271) 0.271 33.090 ( 0.000 0.000 -0.498) 0.498 34.701 ( 0.000 -0.000 0.130) 0.130 51.907 ( 0.000 -0.000 2.067) 2.067 51.907 ( 0.000 0.000 2.067) 2.067 54.603 ( 0.000 -0.000 0.810) 0.810 55.266 ( 0.000 -0.000 -1.144) 1.144 55.266 ( 0.000 0.000 -1.144) 1.144 55.798 ( 0.000 0.000 -0.476) 0.476======================= Grid point 363 (58/147) =======================q-point: ( 0.08 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 371Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.584 ( 15.020 8.672 27.340) 32.377 1.633 ( 12.822 7.403 29.207) 32.745 2.470 ( 24.072 13.898 43.364) 51.508 3.417 ( 13.697 7.908 -13.427) 20.747 3.417 ( 9.762 5.636 -10.825) 15.628 5.122 ( -18.529 -10.698 -12.515) 24.787 7.276 ( -11.603 -6.699 -0.047) 13.398 7.548 ( 2.037 1.176 -3.713) 4.395 7.717 ( 0.666 0.385 2.523) 2.638 7.791 ( 9.747 5.628 -0.476) 11.265 8.024 ( 24.872 14.360 -6.771) 29.507 9.562 ( -12.622 -7.287 -1.517) 14.653 12.847 ( 16.780 9.688 0.491) 19.382 16.446 ( 3.953 2.282 -9.284) 10.346 16.571 ( 14.094 8.137 -9.231) 18.710 18.964 ( 4.612 2.663 4.534) 6.994 19.864 ( 63.308 36.551 -23.660) 76.835 22.799 ( 1.834 1.059 -0.178) 2.125 23.870 ( -8.890 -5.133 -0.516) 10.278 23.976 ( -3.402 -1.964 -0.309) 3.940 25.296 ( -0.071 -0.041 1.462) 1.465 25.313 ( 1.435 0.828 1.220) 2.057 26.874 ( -5.253 -3.033 0.281) 6.072 26.928 ( -0.884 -0.511 -0.374) 1.087 27.916 ( -4.372 -2.524 0.679) 5.093 29.165 ( -2.903 -1.676 -0.952) 3.484 29.186 ( -1.627 -0.939 -0.956) 2.108 29.332 ( -2.515 -1.452 -0.368) 2.928 33.025 ( -5.552 -3.206 -0.342) 6.421 34.141 ( -39.711 -22.927 20.911) 50.397 51.892 ( -1.034 -0.597 2.042) 2.365 52.121 ( 15.367 8.872 -4.137) 18.220 54.152 ( -28.184 -16.272 3.277) 32.708 55.276 ( 0.666 0.385 -1.112) 1.352 55.584 ( 17.790 10.271 -0.249) 20.544 55.773 ( -1.783 -1.030 -0.520) 2.124======================= Grid point 364 (59/147) =======================q-point: ( 0.15 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 371Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.940 ( 14.499 8.371 17.445) 24.179 1.973 ( 16.607 9.588 16.899) 25.560 2.990 ( 15.952 9.210 22.854) 29.353 3.737 ( 17.904 10.337 -7.997) 22.166 3.950 ( 31.041 17.922 -5.809) 36.311 4.872 ( -1.193 -0.689 -6.390) 6.537 7.010 ( -11.287 -6.516 0.139) 13.033 7.548 ( -2.155 -1.244 -1.786) 3.062 7.747 ( 2.197 1.269 1.213) 2.812 7.995 ( 7.779 4.491 -0.493) 8.996 8.376 ( 4.089 2.361 -0.465) 4.744 9.469 ( 5.816 3.358 -11.654) 13.451 13.378 ( 27.849 16.078 0.551) 32.161 16.580 ( 7.768 4.485 -7.950) 11.986 17.001 ( 22.695 13.103 -7.387) 27.227 19.146 ( 10.915 6.302 3.088) 12.976 21.225 ( 46.570 26.887 -34.714) 64.006 22.858 ( 3.179 1.835 -0.069) 3.671 23.655 ( -7.149 -4.127 -3.570) 8.994 23.848 ( -7.468 -4.312 0.106) 8.624 25.290 ( -0.576 -0.332 1.323) 1.481 25.357 ( 2.270 1.310 0.874) 2.763 26.699 ( -9.739 -5.623 0.194) 11.247 26.882 ( -3.380 -1.951 -1.474) 4.172 27.780 ( -6.907 -3.987 0.839) 8.019 29.072 ( -5.090 -2.939 -0.927) 5.950 29.115 ( -4.835 -2.791 -0.942) 5.662 29.265 ( -2.828 -1.632 -0.694) 3.338 32.836 ( -10.831 -6.253 1.499) 12.596 33.250 ( -32.931 -19.013 31.118) 49.135 51.861 ( -1.618 -0.934 1.983) 2.725 52.489 ( 14.685 8.478 -7.235) 18.436 53.518 ( -24.751 -14.290 4.121) 28.876 55.295 ( 0.971 0.561 -1.034) 1.525 55.684 ( -4.333 -2.501 -0.154) 5.005 55.971 ( 13.752 7.940 1.124) 15.919======================= Grid point 365 (60/147) =======================q-point: ( 0.23 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 371Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.303 ( 11.776 6.799 8.987) 16.299 2.305 ( 16.614 9.592 5.075) 19.844 3.232 ( 6.998 4.040 9.970) 12.833 4.222 ( 23.241 13.418 -5.019) 27.302 4.525 ( 13.930 8.042 -3.091) 16.379 5.192 ( 28.800 16.628 2.152) 33.325 6.759 ( -10.471 -6.045 0.276) 12.094 7.467 ( -4.348 -2.511 -0.019) 5.021 7.824 ( 4.780 2.760 -0.617) 5.554 8.147 ( 5.351 3.089 -0.445) 6.195 8.344 ( -3.842 -2.218 0.351) 4.450 9.690 ( 10.009 5.779 -9.398) 14.896 14.059 ( 29.348 16.944 0.555) 33.892 16.818 ( 13.269 7.661 -6.190) 16.525 17.593 ( 27.795 16.047 -5.883) 32.629 19.449 ( 14.790 8.539 1.290) 17.126 21.817 ( 4.169 2.407 -13.798) 14.614 22.938 ( 3.545 2.046 0.209) 4.098 23.646 ( -9.530 -5.502 0.395) 11.012 23.701 ( 12.873 7.432 -15.481) 21.462 25.263 ( -1.945 -1.123 1.244) 2.567 25.414 ( 2.523 1.457 0.855) 3.037 26.438 ( -12.365 -7.139 0.077) 14.278 26.756 ( -7.684 -4.436 -1.809) 9.055 27.624 ( -6.080 -3.510 0.646) 7.050 28.938 ( -6.244 -3.605 -0.886) 7.264 28.964 ( -7.814 -4.511 -1.166) 9.098 29.211 ( -1.893 -1.093 -1.000) 2.404 32.508 ( -16.503 -9.528 14.379) 23.872 32.706 ( -15.278 -8.821 11.235) 20.916 51.820 ( -1.829 -1.056 1.913) 2.849 52.638 ( -7.846 -4.530 -2.182) 9.319 53.178 ( 1.509 0.871 0.347) 1.777 55.319 ( 1.048 0.605 -0.934) 1.528 55.557 ( -6.595 -3.808 -0.145) 7.617 56.237 ( 9.346 5.396 1.448) 10.889======================= Grid point 366 (61/147) =======================q-point: ( 0.31 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 371Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.523 ( 7.536 4.351 4.392) 9.747 2.683 ( 15.617 9.017 -2.393) 18.191 3.368 ( 5.333 3.079 6.096) 8.664 4.747 ( 7.557 4.363 -0.090) 8.726 4.771 ( 23.608 13.630 -3.230) 27.451 5.881 ( 26.023 15.024 4.424) 30.373 6.523 ( -10.156 -5.864 0.318) 11.731 7.358 ( -5.138 -2.966 2.047) 6.276 7.987 ( 9.073 5.238 -2.570) 10.787 8.243 ( 3.056 1.765 -0.371) 3.549 8.269 ( -1.483 -0.856 -0.537) 1.795 9.861 ( 4.430 2.558 -4.263) 6.659 14.660 ( 21.582 12.460 0.351) 24.923 17.200 ( 19.495 11.256 -4.386) 22.934 18.244 ( 27.649 15.963 -4.862) 32.295 19.801 ( 15.025 8.675 -0.344) 17.353 21.613 ( -16.443 -9.494 1.918) 19.084 23.007 ( 1.971 1.138 1.100) 2.528 23.432 ( -8.301 -4.792 -0.015) 9.585 24.124 ( 19.947 11.516 -20.225) 30.652 25.190 ( -4.603 -2.658 1.189) 5.447 25.467 ( 1.906 1.100 1.044) 2.436 26.155 ( -11.426 -6.597 0.022) 13.193 26.538 ( -10.567 -6.101 -1.475) 12.291 27.514 ( -3.436 -1.984 0.209) 3.973 28.773 ( -8.344 -4.817 -1.736) 9.789 28.794 ( -6.001 -3.465 -0.836) 6.980 29.174 ( -1.397 -0.806 -1.108) 1.957 32.186 ( -10.750 -6.206 11.898) 17.194 32.420 ( -10.421 -6.017 3.628) 12.568 51.780 ( -1.626 -0.939 1.851) 2.637 52.294 ( -16.286 -9.403 1.504) 18.865 53.430 ( 14.806 8.548 -1.283) 17.144 55.342 ( 0.888 0.513 -0.837) 1.324 55.382 ( -8.387 -4.842 -0.052) 9.685 56.408 ( 5.577 3.220 0.726) 6.481======================= Grid point 367 (62/147) =======================q-point: ( 0.38 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 371Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.661 ( 4.555 2.630 2.116) 5.669 3.008 ( 12.228 7.060 -4.993) 14.977 3.484 ( 4.593 2.652 5.366) 7.545 4.885 ( 3.972 2.294 1.635) 4.870 5.285 ( 20.499 11.835 -2.460) 23.797 6.280 ( -11.041 -6.375 0.324) 12.753 6.326 ( 13.049 7.534 3.119) 15.387 7.227 ( -6.118 -3.532 4.997) 8.653 8.102 ( -0.383 -0.221 -1.031) 1.122 8.293 ( 1.352 0.781 -0.312) 1.592 8.416 ( 14.126 8.155 -2.686) 16.530 9.898 ( -0.761 -0.440 -1.422) 1.671 15.036 ( 11.176 6.452 0.015) 12.905 17.670 ( 19.533 11.277 -2.823) 22.730 18.818 ( 20.826 12.024 -4.382) 24.444 20.112 ( 11.350 6.553 -1.675) 13.212 21.217 ( -15.846 -9.149 8.004) 19.971 23.004 ( -2.389 -1.379 3.112) 4.159 23.301 ( -2.725 -1.573 -1.591) 3.526 24.522 ( 13.546 7.821 -18.710) 24.387 25.053 ( -6.809 -3.931 0.967) 7.922 25.494 ( 0.321 0.185 1.195) 1.251 25.941 ( -6.804 -3.929 0.173) 7.859 26.310 ( -8.338 -4.814 -1.053) 9.685 27.460 ( -1.432 -0.827 -0.042) 1.654 28.597 ( -6.538 -3.775 -2.421) 7.928 28.673 ( -4.273 -2.467 -0.793) 4.998 29.146 ( -0.938 -0.542 -1.091) 1.537 32.001 ( -5.707 -3.295 5.776) 8.763 32.226 ( -6.163 -3.558 2.383) 7.505 51.748 ( -1.060 -0.612 1.810) 2.185 51.973 ( -11.007 -6.355 2.051) 12.874 53.773 ( 14.089 8.134 -0.095) 16.269 55.179 ( -8.906 -5.142 -0.029) 10.283 55.358 ( 0.533 0.308 -0.764) 0.981 56.501 ( 2.569 1.483 -0.148) 2.971======================= Grid point 368 (63/147) =======================q-point: ( 0.46 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 371Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.738 ( 2.151 1.242 1.202) 2.760 3.236 ( 7.265 4.194 -4.997) 9.764 3.568 ( 2.335 1.348 5.386) 6.023 4.915 ( -1.327 -0.766 1.434) 2.099 5.691 ( 12.761 7.368 -2.932) 15.024 6.017 ( -10.189 -5.883 1.056) 11.813 6.532 ( 5.444 3.143 0.896) 6.349 7.086 ( -5.659 -3.267 8.228) 10.507 8.076 ( -0.886 -0.511 -0.643) 1.208 8.311 ( 0.314 0.181 -0.282) 0.459 8.709 ( 7.870 4.544 -2.638) 9.463 9.871 ( -0.200 -0.116 -0.477) 0.530 15.196 ( 3.093 1.786 -0.196) 3.577 18.017 ( 8.911 5.145 -1.875) 10.459 19.152 ( 7.140 4.122 -4.361) 9.327 20.301 ( 4.651 2.685 -2.577) 5.957 20.945 ( -6.899 -3.983 10.517) 13.194 22.938 ( -2.198 -1.269 4.079) 4.804 23.277 ( -0.252 -0.146 -2.187) 2.206 24.734 ( 4.815 2.780 -17.286) 18.158 24.918 ( -3.812 -2.201 0.682) 4.454 25.490 ( -0.222 -0.128 1.137) 1.165 25.841 ( -2.015 -1.163 0.390) 2.359 26.178 ( -2.985 -1.723 -0.705) 3.518 27.442 ( -0.183 -0.106 -0.119) 0.243 28.487 ( -2.754 -1.590 -2.901) 4.304 28.606 ( -1.401 -0.809 -0.769) 1.791 29.131 ( -0.370 -0.213 -1.044) 1.128 31.914 ( -1.711 -0.988 3.045) 3.630 32.140 ( -1.465 -0.846 1.430) 2.216 51.733 ( -0.256 -0.148 1.792) 1.817 51.800 ( -3.789 -2.187 2.234) 4.912 54.037 ( 7.517 4.340 0.831) 8.720 55.004 ( -4.970 -2.870 -0.189) 5.742 55.365 ( 0.063 0.036 -0.726) 0.729 56.531 ( 0.117 0.068 -0.689) 0.702======================= Grid point 369 (64/147) =======================q-point: (-0.46 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 371Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.762 ( -0.112 -0.065 1.238) 1.245 3.321 ( -0.685 -0.396 -5.127) 5.188 3.585 ( -0.617 -0.356 5.742) 5.786 4.844 ( -4.080 -2.356 1.314) 4.891 5.577 ( -16.762 -9.678 -2.319) 19.494 6.100 ( 11.468 6.621 0.407) 13.249 6.555 ( -4.740 -2.737 -0.187) 5.477 7.011 ( 0.350 0.202 9.276) 9.285 8.076 ( 1.043 0.602 -0.723) 1.404 8.309 ( -0.431 -0.249 -0.282) 0.573 8.700 ( -8.220 -4.746 -2.529) 9.823 9.925 ( 4.205 2.428 -0.429) 4.875 15.189 ( -3.655 -2.110 -0.204) 4.225 18.036 ( -7.393 -4.268 -1.867) 8.738 19.129 ( -8.831 -5.099 -4.236) 11.043 20.323 ( -2.635 -1.521 -2.627) 4.020 20.912 ( 3.844 2.219 9.870) 10.822 22.929 ( 1.498 0.865 4.232) 4.572 23.265 ( -0.917 -0.529 -2.288) 2.521 24.746 ( -3.714 -2.144 -16.600) 17.145 24.907 ( 2.965 1.712 0.677) 3.490 25.499 ( 1.076 0.621 1.048) 1.626 25.841 ( 2.036 1.175 0.389) 2.383 26.168 ( 2.165 1.250 -0.676) 2.589 27.449 ( 0.799 0.461 -0.160) 0.936 28.477 ( 1.957 1.130 -2.903) 3.679 28.611 ( 1.854 1.071 -0.766) 2.274 29.130 ( 0.312 0.180 -1.042) 1.102 31.928 ( 2.998 1.731 3.226) 4.732 32.149 ( 2.141 1.236 1.155) 2.728 51.737 ( 0.610 0.352 1.795) 1.929 51.800 ( 3.782 2.183 2.234) 4.905 54.064 ( -5.333 -3.079 0.796) 6.209 55.004 ( 5.011 2.893 -0.174) 5.788 55.361 ( -0.422 -0.244 -0.729) 0.877 56.508 ( -2.095 -1.210 -0.671) 2.511======================= Grid point 370 (65/147) =======================q-point: (-0.38 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 371Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.731 ( -2.560 -1.478 2.281) 3.733 3.173 ( -11.899 -6.870 -4.510) 14.462 3.559 ( -1.582 -0.914 5.885) 6.162 4.756 ( -3.255 -1.879 0.628) 3.811 5.123 ( -22.034 -12.721 -2.504) 25.565 6.300 ( -16.947 -9.785 2.949) 19.790 6.349 ( 9.951 5.745 0.202) 11.492 7.087 ( 4.937 2.851 5.205) 7.720 8.129 ( 3.408 1.968 -0.963) 4.052 8.289 ( -1.444 -0.834 -0.312) 1.696 8.415 ( -14.105 -8.144 -2.624) 16.497 9.996 ( 0.572 0.330 -1.185) 1.357 15.018 ( -11.510 -6.645 -0.013) 13.291 17.711 ( -19.237 -11.106 -2.788) 22.387 18.776 ( -20.813 -12.016 -4.278) 24.410 20.190 ( -8.556 -4.940 -1.797) 10.041 21.096 ( 11.300 6.524 6.168) 14.433 22.994 ( 3.399 1.963 3.969) 5.582 23.243 ( -0.380 -0.220 -2.326) 2.367 24.564 ( -11.837 -6.834 -16.397) 21.347 25.027 ( 6.390 3.689 0.948) 7.439 25.522 ( 0.328 0.189 0.902) 0.978 25.942 ( 6.909 3.989 0.176) 7.979 26.285 ( 7.907 4.565 -0.941) 9.179 27.480 ( 1.919 1.108 -0.194) 2.224 28.572 ( 6.001 3.465 -2.434) 7.344 28.687 ( 4.581 2.645 -0.785) 5.347 29.146 ( 1.020 0.589 -1.074) 1.594 32.053 ( 7.724 4.460 6.224) 10.876 32.236 ( 5.435 3.138 1.596) 6.476 51.760 ( 1.345 0.777 1.819) 2.392 51.968 ( 10.475 6.047 2.048) 12.267 53.848 ( -11.869 -6.853 -0.276) 13.708 55.183 ( 9.193 5.307 0.015) 10.615 55.347 ( -0.818 -0.472 -0.772) 1.220 56.434 ( -4.357 -2.515 -0.018) 5.031======================= Grid point 371 (66/147) =======================q-point: (-0.31 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 371Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.638 ( -5.771 -3.332 4.924) 8.286 2.813 ( -18.237 -10.529 -1.799) 21.135 3.497 ( -4.172 -2.409 7.969) 9.312 4.577 ( -24.789 -14.312 -3.740) 28.867 4.689 ( -2.872 -1.658 -3.628) 4.915 5.779 ( -27.833 -16.069 5.640) 32.630 6.567 ( 9.129 5.271 0.283) 10.545 7.199 ( 4.375 2.526 1.880) 5.390 8.068 ( -10.588 -6.113 -2.098) 12.405 8.238 ( -3.076 -1.776 -0.370) 3.571 8.299 ( 7.279 4.202 -0.982) 8.462 9.913 ( -8.219 -4.745 -3.801) 10.223 14.641 ( -21.405 -12.358 0.305) 24.719 17.233 ( -20.457 -11.811 -4.281) 24.006 18.214 ( -26.873 -15.515 -4.870) 31.410 19.942 ( -12.584 -7.265 -0.514) 14.539 21.378 ( 11.205 6.469 -1.362) 13.010 23.022 ( -1.697 -0.980 1.738) 2.619 23.307 ( 6.542 3.777 -0.529) 7.572 24.227 ( -16.277 -9.397 -15.863) 24.594 25.161 ( 4.730 2.731 1.163) 5.584 25.503 ( -1.909 -1.102 0.630) 2.293 26.159 ( 11.465 6.619 0.027) 13.238 26.510 ( 10.667 6.159 -1.212) 12.377 27.542 ( 3.587 2.071 -0.131) 4.144 28.739 ( 8.151 4.706 -1.768) 9.576 28.813 ( 6.093 3.518 -0.824) 7.083 29.177 ( 1.620 0.935 -1.070) 2.155 32.284 ( 12.442 7.184 14.039) 20.088 32.402 ( 8.868 5.120 0.802) 10.271 51.797 ( 1.779 1.027 1.864) 2.774 52.262 ( 14.074 8.126 1.506) 16.321 53.567 ( -11.461 -6.617 -1.810) 13.357 55.325 ( -1.034 -0.597 -0.850) 1.466 55.392 ( 8.563 4.944 -0.038) 9.888 56.305 ( -6.807 -3.930 1.210) 7.953======================= Grid point 372 (67/147) =======================q-point: (-0.23 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 371Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.374 ( -19.108 -11.032 4.393) 22.497 2.449 ( -11.052 -6.381 10.442) 16.489 3.346 ( -9.556 -5.517 14.134) 17.931 4.011 ( -23.205 -13.397 -6.516) 27.575 4.579 ( -10.178 -5.876 -10.838) 15.986 5.092 ( -26.435 -15.262 6.182) 31.144 6.782 ( 9.673 5.585 0.275) 11.173 7.285 ( 3.182 1.837 0.222) 3.681 7.867 ( -6.429 -3.712 -0.392) 7.433 8.142 ( -5.264 -3.039 -0.442) 6.095 8.548 ( 13.699 7.909 0.440) 15.824 9.606 ( -18.316 -10.575 -9.580) 23.219 14.047 ( -28.929 -16.702 0.522) 33.408 16.823 ( -14.522 -8.384 -5.979) 17.803 17.581 ( -27.007 -15.592 -5.891) 31.736 19.629 ( -14.089 -8.134 1.053) 16.303 21.483 ( -5.805 -3.352 -16.481) 17.792 22.949 ( -3.890 -2.246 0.318) 4.503 23.506 ( 9.750 5.629 0.364) 11.264 23.892 ( -10.389 -5.998 -11.270) 16.460 25.241 ( 2.359 1.362 1.222) 2.986 25.444 ( -2.968 -1.713 0.440) 3.455 26.442 ( 12.345 7.127 0.073) 14.254 26.735 ( 8.152 4.706 -1.436) 9.522 27.649 ( 5.672 3.275 0.139) 6.551 28.930 ( 7.958 4.595 -1.211) 9.269 28.957 ( 6.134 3.542 -0.873) 7.137 29.219 ( 2.080 1.201 -0.951) 2.583 32.614 ( 12.263 7.080 9.853) 17.251 32.669 ( 18.480 10.670 14.780) 25.958 51.839 ( 1.804 1.041 1.928) 2.838 52.531 ( 5.878 3.393 -1.093) 6.874 53.403 ( 0.426 0.246 -1.911) 1.973 55.301 ( -1.016 -0.587 -0.949) 1.509 55.568 ( 6.575 3.796 -0.231) 7.595 56.119 ( -9.371 -5.410 2.637) 11.138======================= Grid point 373 (68/147) =======================q-point: (-0.15 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 371Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.957 ( -16.705 -9.645 14.852) 24.344 2.109 ( -18.254 -10.539 19.277) 28.563 3.008 ( -20.823 -12.022 27.066) 36.204 3.557 ( -15.226 -8.791 -10.514) 20.485 4.041 ( -28.845 -16.654 -8.445) 34.361 4.875 ( 3.924 2.266 -6.510) 7.932 7.018 ( 10.773 6.220 0.149) 12.440 7.355 ( 3.050 1.761 -0.679) 3.586 7.760 ( -3.104 -1.792 1.299) 3.813 7.993 ( -7.617 -4.398 -0.488) 8.809 8.839 ( -1.817 -1.049 5.125) 5.538 9.151 ( -7.971 -4.602 -17.801) 20.039 13.375 ( -27.607 -15.939 0.540) 31.882 16.563 ( -8.270 -4.775 -7.642) 12.231 17.005 ( -22.163 -12.796 -7.320) 26.618 19.314 ( -12.642 -7.299 2.785) 14.861 20.964 ( -40.116 -23.161 -33.765) 57.322 22.862 ( -3.402 -1.964 -0.050) 3.928 23.729 ( 9.098 5.252 0.122) 10.506 23.817 ( 3.256 1.880 -3.193) 4.932 25.278 ( 0.984 0.568 1.302) 1.728 25.375 ( -2.868 -1.656 0.594) 3.364 26.701 ( 9.696 5.598 0.186) 11.198 26.872 ( 3.841 2.218 -1.242) 4.606 27.793 ( 6.309 3.643 0.473) 7.300 29.086 ( 4.841 2.795 -0.916) 5.664 29.089 ( 5.463 3.154 -0.962) 6.381 29.273 ( 2.606 1.504 -0.677) 3.084 32.854 ( 9.209 5.317 0.516) 10.646 33.269 ( 33.010 19.059 31.244) 49.286 51.877 ( 1.408 0.813 1.997) 2.574 52.443 ( -11.593 -6.693 -6.069) 14.698 53.661 ( 19.708 11.379 1.115) 22.784 55.280 ( -0.759 -0.438 -1.048) 1.366 55.693 ( 4.182 2.415 -0.347) 4.842 55.873 ( -11.884 -6.861 3.054) 14.058======================= Grid point 374 (69/147) =======================q-point: (-0.08 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 371Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.600 ( -14.219 -8.209 26.707) 31.350 1.662 ( -18.120 -10.462 28.792) 35.591 2.449 ( -22.547 -13.017 44.167) 51.269 3.320 ( -5.627 -3.249 -12.556) 14.138 3.507 ( -16.671 -9.625 -11.928) 22.647 5.135 ( 17.663 10.198 -13.136) 24.259 7.275 ( 11.370 6.564 -0.038) 13.128 7.430 ( 3.523 2.034 -1.622) 4.379 7.714 ( -1.108 -0.640 2.468) 2.780 7.793 ( -9.614 -5.551 -0.473) 11.111 8.192 ( -36.601 -21.132 -10.189) 43.475 9.499 ( 20.449 11.806 0.412) 23.616 12.847 ( -16.721 -9.654 0.489) 19.314 16.429 ( -3.492 -2.016 -9.026) 9.886 16.582 ( -14.078 -8.128 -9.223) 18.690 19.066 ( -8.477 -4.894 4.289) 10.687 19.750 ( -57.711 -33.320 -23.269) 70.585 22.799 ( -1.899 -1.096 -0.176) 2.200 23.908 ( 6.088 3.515 -0.296) 7.036 23.944 ( 5.442 3.142 -0.511) 6.305 25.292 ( 0.317 0.183 1.442) 1.488 25.319 ( -1.821 -1.051 1.164) 2.403 26.876 ( 5.189 2.996 0.275) 5.998 26.925 ( 1.070 0.618 -0.332) 1.279 27.918 ( 4.124 2.381 0.601) 4.799 29.173 ( 2.581 1.490 -0.946) 3.126 29.176 ( 2.208 1.275 -0.958) 2.724 29.334 ( 2.305 1.331 -0.371) 2.687 33.026 ( 5.338 3.082 -0.357) 6.174 34.147 ( 39.115 22.583 20.683) 49.676 51.901 ( 0.680 0.393 2.050) 2.195 52.111 ( -14.767 -8.526 -4.093) 17.536 54.195 ( 24.600 14.203 2.030) 28.478 55.267 ( -0.319 -0.184 -1.120) 1.179 55.553 ( -15.313 -8.841 0.849) 17.702 55.773 ( 2.093 1.208 -0.472) 2.462======================= Grid point 376 (70/147) =======================q-point: ( 0.08 0.08 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 677Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.848 ( 8.357 15.380 18.836) 25.714 1.941 ( 6.342 21.068 21.338) 30.650 2.872 ( 12.995 21.654 30.077) 39.273 3.544 ( 14.801 12.342 -9.836) 21.637 3.827 ( 11.335 27.893 -9.189) 31.478 4.904 ( -4.926 -7.303 -8.033) 11.922 7.111 ( -6.125 -9.254 0.276) 11.101 7.441 ( 6.272 -6.733 -2.810) 9.622 7.739 ( 0.892 2.404 1.634) 3.041 7.890 ( 0.163 3.593 1.337) 3.837 8.586 ( -2.435 28.971 -4.413) 29.406 9.320 ( 6.985 -11.454 -8.955) 16.130 13.213 ( 15.057 25.871 0.534) 29.938 16.518 ( 4.181 5.619 -8.254) 10.825 16.876 ( 11.832 21.068 -7.788) 25.387 19.149 ( -0.076 13.112 3.408) 13.548 20.816 ( 39.048 48.723 -35.816) 71.982 22.841 ( 1.625 3.032 -0.102) 3.442 23.704 ( -9.250 -11.273 -0.209) 14.584 23.903 ( -0.857 -3.601 -1.492) 3.991 25.288 ( 0.045 -0.739 1.351) 1.540 25.350 ( 0.846 2.662 0.816) 2.909 26.750 ( -5.401 -9.162 0.218) 10.638 26.905 ( -0.808 -2.009 -1.153) 2.453 27.825 ( -4.088 -6.317 0.688) 7.555 29.095 ( -3.284 -5.368 -0.921) 6.360 29.147 ( -1.044 -2.926 -0.965) 3.253 29.282 ( -2.238 -3.238 -0.576) 3.978 32.904 ( -5.479 -8.610 0.305) 10.210 33.476 ( -21.909 -36.488 31.396) 52.887 51.877 ( -1.349 -1.117 1.992) 2.653 52.385 ( 10.200 15.002 -6.930) 19.420 53.723 ( -19.124 -23.376 3.167) 30.367 55.289 ( 1.160 0.929 -1.286) 1.965 55.725 ( -2.480 -2.518 -0.414) 3.558 55.827 ( 11.374 11.229 1.979) 16.105======================= Grid point 377 (71/147) =======================q-point: ( 0.15 0.08 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 677Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.177 ( 11.892 15.067 8.273) 20.902 2.253 ( 7.187 15.817 12.006) 21.118 3.179 ( 6.010 9.051 13.885) 17.630 4.016 ( 20.015 18.420 -5.525) 27.757 4.387 ( 16.020 20.388 -4.840) 26.376 4.967 ( 14.268 12.897 -0.390) 19.237 6.897 ( -9.969 -4.723 0.213) 11.033 7.465 ( 2.696 -5.280 -2.363) 6.382 7.794 ( 0.816 2.786 0.556) 2.956 7.873 ( 4.945 -10.113 1.979) 11.430 8.671 ( -10.079 17.550 0.194) 20.239 9.513 ( 14.290 2.681 -11.797) 18.723 13.830 ( 23.018 28.154 0.597) 36.371 16.688 ( 8.723 6.666 -6.891) 12.962 17.384 ( 19.715 24.210 -6.223) 31.836 19.345 ( 7.646 12.041 2.250) 14.440 21.721 ( 20.225 19.598 -25.030) 37.678 22.911 ( 2.632 3.331 0.075) 4.246 23.448 ( -2.327 -15.398 -2.265) 15.736 23.871 ( -2.665 7.052 -5.768) 9.492 25.273 ( -0.738 -1.426 1.247) 2.033 25.398 ( 1.508 2.603 0.700) 3.088 26.520 ( -8.628 -11.710 0.111) 14.546 26.841 ( -4.524 -2.434 -1.786) 5.439 27.669 ( -5.518 -7.060 0.728) 8.990 28.961 ( -4.614 -7.346 -0.940) 8.726 29.068 ( -5.333 -2.297 -0.974) 5.888 29.211 ( -1.464 -3.770 -0.933) 4.150 32.657 ( -12.190 -11.554 8.122) 18.657 32.847 ( -15.855 -18.812 20.688) 32.145 51.838 ( -1.631 -1.441 1.900) 2.889 52.694 ( 6.982 11.296 -5.932) 14.544 53.188 ( -14.654 -18.079 3.402) 23.519 55.313 ( 0.397 0.536 -1.157) 1.336 55.640 ( -4.812 -1.348 -0.527) 5.025 56.112 ( 10.854 6.075 2.125) 12.619======================= Grid point 378 (72/147) =======================q-point: ( 0.23 0.08 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 677Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.492 ( 5.095 10.842 6.277) 13.525 2.543 ( 13.044 13.774 -0.618) 18.980 3.327 ( 4.001 5.279 7.529) 10.028 4.570 ( 20.178 20.786 -2.778) 29.102 4.677 ( 7.137 7.764 -2.553) 10.850 5.581 ( 27.371 20.406 4.521) 34.438 6.678 ( -11.447 -1.993 0.074) 11.619 7.417 ( -4.218 -2.026 0.184) 4.683 7.777 ( 8.694 -14.831 -0.499) 17.199 7.979 ( 9.403 2.396 -0.873) 9.743 8.653 ( -12.331 17.575 -0.371) 21.473 9.745 ( 9.771 0.094 -5.970) 11.451 14.497 ( 20.366 26.388 0.562) 33.338 16.972 ( 16.135 7.761 -5.289) 18.669 18.002 ( 22.745 23.503 -4.966) 33.082 19.630 ( 12.625 8.462 1.072) 15.236 21.853 ( -12.822 1.790 -4.991) 13.875 22.988 ( 2.265 2.797 0.533) 3.638 23.322 ( 4.938 -18.560 -2.813) 19.410 24.041 ( 7.980 18.072 -14.891) 24.739 25.226 ( -2.630 -2.743 1.149) 3.971 25.450 ( 1.646 2.017 0.844) 2.736 26.243 ( -9.160 -11.240 0.016) 14.500 26.688 ( -10.164 -2.715 -1.693) 10.655 27.518 ( -3.058 -7.157 0.438) 7.795 28.799 ( -4.994 -7.728 -1.138) 9.272 28.925 ( -8.431 -1.603 -1.113) 8.654 29.160 ( -0.030 -3.984 -1.140) 4.144 32.311 ( -12.217 -9.361 14.683) 21.272 32.512 ( -9.378 -10.360 4.518) 14.687 51.795 ( -1.515 -1.402 1.816) 2.750 52.552 ( -20.844 -3.829 0.978) 21.216 53.172 ( 17.732 -1.738 -1.362) 17.869 55.298 ( -0.875 -3.843 -0.630) 3.991 55.548 ( -6.714 3.985 -0.773) 7.846 56.318 ( 7.928 2.783 1.364) 8.512======================= Grid point 379 (73/147) =======================q-point: ( 0.31 0.08 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 677Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.652 ( 2.740 7.927 3.076) 8.934 2.883 ( 11.719 10.387 -4.658) 16.338 3.443 ( 4.026 4.356 5.803) 8.298 4.843 ( 5.340 5.211 2.074) 7.745 5.122 ( 17.723 21.060 -2.725) 27.660 6.138 ( 17.866 10.028 3.871) 20.850 6.457 ( -12.784 -0.542 -0.112) 12.796 7.281 ( -6.299 -5.940 3.244) 9.246 7.850 ( 13.874 -11.325 -1.618) 17.983 8.225 ( 12.862 7.929 -2.158) 15.263 8.593 ( -13.240 15.037 -0.105) 20.035 9.845 ( 4.206 -3.986 -2.092) 6.160 15.007 ( 9.716 22.024 0.312) 24.074 17.396 ( 22.365 8.489 -3.672) 24.202 18.593 ( 20.581 16.957 -4.137) 26.986 19.920 ( 13.559 2.510 0.288) 13.793 21.526 ( -21.975 0.970 3.800) 22.322 23.014 ( -0.806 -1.876 1.934) 2.813 23.237 ( 3.681 -10.846 -2.248) 11.672 24.403 ( 12.012 14.192 -17.137) 25.286 25.123 ( -5.238 -3.654 0.917) 6.452 25.487 ( 0.803 0.811 1.069) 1.564 26.010 ( -6.706 -6.658 0.070) 9.450 26.456 ( -12.405 -2.689 -1.262) 12.756 27.426 ( 0.379 -6.885 0.076) 6.895 28.645 ( -4.642 -5.883 -1.671) 7.678 28.764 ( -7.952 -1.270 -1.155) 8.135 29.126 ( 0.623 -3.882 -1.159) 4.099 32.075 ( -7.348 -4.746 8.143) 11.951 32.282 ( -6.600 -7.549 2.534) 10.342 51.761 ( -1.058 -0.740 1.786) 2.204 52.175 ( -17.366 -2.722 1.998) 17.691 53.490 ( 19.824 -2.535 -0.488) 19.991 55.195 ( -3.683 -7.895 -0.181) 8.714 55.503 ( -6.580 9.664 -0.934) 11.729 56.445 ( 4.937 0.581 0.333) 4.982======================= Grid point 380 (74/147) =======================q-point: ( 0.38 0.08 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 677Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.749 ( 0.645 5.805 1.552) 6.044 3.144 ( 8.716 6.037 -5.006) 11.725 3.546 ( 2.934 3.547 5.371) 7.074 4.940 ( 0.374 3.325 2.746) 4.329 5.596 ( 13.695 18.710 -1.945) 23.268 6.203 ( -14.856 -0.978 -0.290) 14.891 6.434 ( 9.124 3.260 1.929) 9.879 7.103 ( -4.793 -9.461 5.620) 12.003 7.983 ( 9.080 -3.531 -0.767) 9.773 8.462 ( -6.064 8.754 -0.102) 10.650 8.583 ( 7.893 7.652 -2.063) 11.185 9.835 ( 1.355 -5.417 -0.557) 5.612 15.278 ( -0.652 17.498 0.028) 17.510 17.843 ( 17.922 6.391 -2.288) 19.165 19.005 ( 13.261 4.972 -3.994) 14.714 20.121 ( 10.742 -5.177 0.388) 11.930 21.211 ( -17.778 7.809 6.522) 20.483 22.942 ( -1.597 -5.485 2.725) 6.330 23.234 ( 3.046 -3.564 -2.145) 5.156 24.681 ( 6.822 7.523 -16.039) 18.984 24.996 ( -5.883 -0.885 0.411) 5.963 25.492 ( -0.270 -0.337 1.160) 1.238 25.883 ( -3.646 -1.296 0.250) 3.878 26.248 ( -7.816 -1.856 -0.864) 8.080 27.386 ( 2.553 -6.494 -0.084) 6.978 28.530 ( -3.725 -2.202 -2.482) 4.989 28.642 ( -4.348 -1.043 -0.888) 4.559 29.104 ( 1.187 -3.644 -1.101) 3.987 31.947 ( -3.742 -2.068 3.632) 5.610 32.145 ( -2.218 -4.451 1.788) 5.285 51.749 ( -0.202 0.975 1.869) 2.118 51.914 ( -11.246 0.294 2.144) 11.452 53.773 ( 17.941 -8.021 0.604) 19.661 55.045 ( -4.529 -5.788 -0.160) 7.351 55.497 ( -6.395 11.151 -0.849) 12.883 56.505 ( 2.332 -0.980 -0.468) 2.572======================= Grid point 381 (75/147) =======================q-point: ( 0.46 0.08 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 677Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.792 ( -1.269 3.874 1.053) 4.210 3.294 ( 3.848 1.235 -4.512) 6.057 3.601 ( -0.121 1.915 5.338) 5.673 4.920 ( -4.875 1.380 2.523) 5.660 5.865 ( -17.835 6.079 -2.592) 19.020 6.002 ( 8.345 8.049 0.417) 11.602 6.559 ( 2.513 -0.390 -0.169) 2.548 6.956 ( 0.104 -8.868 7.968) 11.922 8.058 ( 1.236 -1.293 -0.391) 1.831 8.413 ( -5.648 8.866 0.338) 10.518 8.726 ( 0.815 -2.541 -2.173) 3.441 9.837 ( 4.933 -3.234 -0.268) 5.905 15.353 ( -8.213 13.537 -0.083) 15.834 18.057 ( 1.964 -1.025 -1.656) 2.766 19.130 ( 2.005 -6.370 -4.121) 7.847 20.189 ( 6.607 -10.701 1.071) 12.622 21.092 ( -9.581 15.534 6.291) 19.305 22.888 ( 1.473 -4.178 2.957) 5.327 23.243 ( 1.278 -2.713 -1.971) 3.589 24.785 ( -0.507 2.460 -15.166) 15.373 24.929 ( -2.649 3.080 0.169) 4.066 25.489 ( 0.564 0.058 1.049) 1.192 25.847 ( -0.972 1.710 0.334) 1.995 26.166 ( -0.886 0.508 -0.640) 1.205 27.380 ( 3.863 -5.990 -0.136) 7.129 28.480 ( -1.136 0.870 -2.869) 3.206 28.602 ( 0.128 0.547 -0.729) 0.920 29.095 ( 1.844 -3.311 -1.067) 3.937 31.907 ( 0.465 0.260 2.553) 2.608 32.111 ( 1.729 -2.010 1.090) 2.867 51.779 ( -0.011 0.101 2.294) 2.296 51.793 ( -3.338 6.103 1.790) 7.182 53.908 ( 10.192 -15.713 1.064) 18.759 54.967 ( 0.350 -0.643 -0.249) 0.773 55.499 ( -6.641 11.569 -0.800) 13.363 56.509 ( 0.025 -2.175 -0.760) 2.304======================= Grid point 383 (76/147) =======================q-point: (-0.46 0.08 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 677Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.783 ( -3.209 1.922 1.429) 4.004 3.274 ( -5.397 -4.013 -4.976) 8.366 3.585 ( -2.309 0.059 5.890) 6.326 4.829 ( -5.963 0.791 2.660) 6.577 5.479 ( -25.619 -0.543 -2.193) 25.718 6.273 ( 7.830 10.584 -0.226) 13.168 6.453 ( -9.845 -6.881 1.100) 12.062 6.984 ( 8.064 -1.586 6.335) 10.377 7.999 ( -0.787 -9.032 -0.758) 9.098 8.465 ( -3.063 14.549 0.080) 14.868 8.564 ( -11.318 -7.580 -2.181) 13.795 9.916 ( 6.172 -3.611 -0.442) 7.165 15.265 ( -15.297 9.041 0.010) 17.770 17.880 ( -13.752 -11.514 -2.290) 18.081 18.964 ( -11.428 -9.695 -3.821) 15.466 20.143 ( 1.421 -12.525 0.737) 12.627 21.177 ( -1.814 20.415 4.865) 21.065 22.913 ( 5.411 -3.112 2.971) 6.913 23.220 ( -0.173 -3.632 -2.043) 4.170 24.706 ( -8.976 -1.682 -15.161) 17.699 24.974 ( 3.313 4.180 0.694) 5.378 25.512 ( 1.181 0.466 0.915) 1.565 25.884 ( 2.970 2.560 0.261) 3.930 26.230 ( 4.887 5.505 -0.793) 7.404 27.400 ( 4.916 -5.218 -0.167) 7.171 28.512 ( 3.282 1.919 -2.494) 4.547 28.654 ( 3.240 3.474 -0.877) 4.830 29.102 ( 2.574 -2.908 -1.096) 4.035 31.972 ( 5.367 2.535 3.965) 7.138 32.157 ( 5.032 -0.414 1.287) 5.211 51.755 ( -0.355 0.597 1.877) 2.002 51.915 ( 5.142 9.868 2.141) 11.332 53.812 ( 0.215 -19.543 0.539) 19.552 55.045 ( 7.261 0.996 -0.140) 7.331 55.499 ( -6.693 11.850 -0.867) 13.638 56.464 ( -2.246 -3.103 -0.414) 3.853======================= Grid point 384 (77/147) =======================q-point: (-0.38 0.08 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 677Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.716 ( -5.596 -0.269 2.906) 6.311 3.028 ( -15.601 -7.143 -3.996) 17.617 3.530 ( -2.987 -2.194 6.746) 7.697 4.740 ( -5.303 -0.012 1.223) 5.442 4.988 ( -29.365 -1.136 -3.566) 29.603 6.079 ( -21.310 -11.025 4.096) 24.341 6.510 ( 6.347 9.900 -0.050) 11.760 7.133 ( 7.170 2.607 3.056) 8.219 7.894 ( 4.558 -16.715 -1.418) 17.383 8.261 ( -13.022 -6.831 -1.993) 14.839 8.573 ( -4.734 19.405 -0.259) 19.976 9.923 ( -0.059 -7.380 -1.777) 7.591 14.987 ( -24.020 2.711 0.272) 24.174 17.436 ( -19.035 -15.574 -3.645) 24.863 18.556 ( -24.342 -8.712 -4.073) 26.172 19.987 ( -4.880 -12.366 0.543) 13.305 21.412 ( 3.172 22.055 1.035) 22.306 22.995 ( 5.722 -2.095 2.888) 6.743 23.180 ( 2.394 -5.992 -2.291) 6.847 24.455 ( -16.152 -3.773 -14.974) 22.346 25.097 ( 5.676 2.967 0.985) 6.480 25.518 ( -0.733 -0.589 0.719) 1.183 26.012 ( 9.195 2.404 0.069) 9.505 26.430 ( 8.362 9.624 -1.082) 12.795 27.449 ( 6.158 -3.838 -0.135) 7.257 28.625 ( 7.361 1.733 -1.815) 7.777 28.773 ( 4.848 5.783 -1.022) 7.615 29.126 ( 3.250 -2.470 -1.137) 4.237 32.139 ( 10.092 3.786 9.128) 14.125 32.279 ( 8.703 1.213 1.151) 8.863 51.772 ( 1.540 0.312 1.792) 2.383 52.163 ( 9.857 13.176 1.995) 16.576 53.571 ( -4.531 -19.118 -0.700) 19.660 55.191 ( 8.390 -0.894 -0.169) 8.440 55.511 ( -5.187 11.589 -1.003) 12.736 56.370 ( -4.757 -3.596 0.586) 5.991======================= Grid point 385 (78/147) =======================q-point: (-0.31 0.08 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 677Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.566 ( -10.935 -4.178 5.176) 12.799 2.644 ( -18.640 -5.796 1.086) 19.550 3.425 ( -5.730 -4.493 9.624) 12.068 4.417 ( -30.214 -1.948 -3.227) 30.448 4.675 ( -6.571 -0.426 -6.457) 9.222 5.493 ( -32.212 -10.850 6.179) 34.547 6.713 ( 6.721 8.390 0.117) 10.751 7.256 ( 3.231 3.567 0.414) 4.831 7.848 ( 7.800 -14.369 -0.806) 16.369 8.017 ( -6.399 -7.164 -0.719) 9.632 8.689 ( -4.047 19.534 -0.572) 19.957 9.749 ( -9.802 -10.425 -5.625) 15.375 14.484 ( -32.789 -3.932 0.524) 33.028 16.990 ( -15.809 -10.935 -5.194) 19.912 17.985 ( -31.141 -7.146 -4.975) 32.335 19.737 ( -10.050 -10.929 1.084) 14.887 21.649 ( -2.474 18.089 -8.303) 20.057 22.997 ( -3.178 -1.141 0.920) 3.499 23.255 ( 14.024 -8.089 -0.687) 16.204 24.119 ( -17.315 -1.812 -13.205) 21.851 25.204 ( 3.807 1.643 1.157) 4.304 25.477 ( -2.557 -1.351 0.509) 2.936 26.245 ( 14.382 2.192 0.012) 14.548 26.667 ( 7.569 8.143 -1.405) 11.206 27.542 ( 7.754 -1.604 0.082) 7.919 28.788 ( 9.409 1.112 -1.250) 9.556 28.923 ( 5.184 6.153 -1.028) 8.111 29.165 ( 3.743 -1.955 -1.099) 4.364 32.399 ( 15.846 3.382 18.555) 24.633 32.484 ( 12.334 3.296 0.031) 12.766 51.808 ( 2.233 0.128 1.823) 2.885 52.488 ( 9.698 14.243 1.025) 17.262 53.317 ( -1.681 -17.257 -1.912) 17.444 55.287 ( 3.338 -0.727 -0.644) 3.476 55.563 ( -0.125 8.112 -0.963) 8.170 56.228 ( -7.705 -3.108 2.035) 8.553======================= Grid point 386 (79/147) =======================q-point: (-0.23 0.08 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 677Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.203 ( -19.697 -5.303 7.926) 21.884 2.334 ( -16.198 -5.320 12.573) 21.184 3.225 ( -12.412 -5.225 16.276) 21.125 3.903 ( -27.312 1.667 -6.345) 28.089 4.429 ( -24.659 -7.037 -8.659) 27.066 4.930 ( -15.414 -2.058 1.304) 15.606 6.915 ( 8.561 5.421 0.236) 10.136 7.335 ( 2.256 4.165 -1.362) 4.929 7.810 ( -3.906 -1.471 0.448) 4.198 7.926 ( 5.553 -11.194 1.137) 12.547 8.820 ( 1.012 7.961 2.188) 8.318 9.400 ( -18.420 -5.250 -13.614) 23.499 13.826 ( -35.721 -5.416 0.583) 36.134 16.686 ( -10.850 -4.123 -6.759) 13.432 17.381 ( -30.439 -4.636 -6.213) 31.410 19.438 ( -12.388 -9.006 2.126) 15.463 21.542 ( -28.555 8.095 -25.402) 39.066 22.915 ( -4.305 -1.015 0.115) 4.425 23.460 ( 16.800 -5.195 0.054) 17.585 23.899 ( -6.885 2.237 -6.897) 9.999 25.263 ( 1.737 0.843 1.240) 2.294 25.412 ( -3.129 -1.300 0.491) 3.423 26.521 ( 14.488 1.475 0.108) 14.563 26.831 ( 4.567 3.583 -1.582) 6.016 27.680 ( 8.674 0.172 0.445) 8.687 28.959 ( 8.925 0.502 -0.965) 8.991 29.061 ( 4.409 3.984 -0.972) 6.021 29.217 ( 4.068 -1.027 -0.902) 4.291 32.693 ( 13.586 1.148 4.622) 14.397 32.843 ( 26.444 5.060 23.645) 35.833 51.847 ( 2.189 -0.150 1.906) 2.906 52.623 ( -9.190 5.242 -4.079) 11.339 53.320 ( 19.625 -7.433 0.809) 21.001 55.305 ( -0.800 0.721 -1.202) 1.613 55.652 ( 3.409 2.897 -0.791) 4.543 56.043 ( -11.226 -0.782 3.123) 11.678======================= Grid point 391 (80/147) =======================q-point: ( 0.15 0.15 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 677Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.502 ( 7.283 15.001 3.542) 17.047 2.556 ( 4.587 15.496 3.690) 16.577 3.345 ( 1.121 7.496 9.351) 12.037 4.456 ( 19.197 24.096 -2.065) 30.878 4.663 ( 4.967 9.637 -5.994) 12.388 5.405 ( 18.748 27.049 5.412) 33.353 6.809 ( -4.338 -4.598 0.055) 6.322 7.373 ( 6.910 -4.195 -2.492) 8.460 7.625 ( -11.418 -10.192 1.990) 15.434 7.934 ( 3.480 8.714 -0.735) 9.412 8.911 ( 1.228 5.703 -0.037) 5.834 9.611 ( 4.816 6.822 -6.932) 10.853 14.454 ( 19.334 32.701 0.681) 37.995 16.864 ( 6.043 11.426 -5.696) 14.125 17.920 ( 16.709 28.024 -4.905) 32.994 19.586 ( 3.194 11.457 2.001) 12.061 21.943 ( 8.824 2.254 -12.235) 15.252 22.986 ( 2.150 3.846 0.328) 4.419 23.129 ( -7.727 -14.537 -0.608) 16.474 24.095 ( 6.241 14.491 -11.586) 19.575 25.228 ( -1.180 -3.287 1.127) 3.670 25.454 ( 0.706 2.816 0.572) 2.960 26.264 ( -7.514 -12.942 0.027) 14.965 26.768 ( -2.334 -5.346 -1.733) 6.085 27.510 ( -5.675 -8.352 0.458) 10.108 28.801 ( -4.442 -8.192 -1.089) 9.382 29.007 ( -2.173 -4.229 -0.935) 4.846 29.125 ( -2.787 -4.281 -1.247) 5.258 32.402 ( -10.340 -12.570 16.598) 23.246 32.532 ( -6.563 -13.383 3.707) 15.360 51.805 ( -1.408 -1.736 1.773) 2.853 52.804 ( 6.591 -16.891 1.765) 18.217 52.940 ( -13.105 10.256 -2.423) 16.816 55.286 ( -1.712 -3.490 -0.697) 3.950 55.647 ( 0.137 1.892 -1.545) 2.446 56.221 ( 6.341 5.008 2.302) 8.402======================= Grid point 392 (81/147) =======================q-point: ( 0.23 0.15 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 677Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.699 ( 3.160 9.392 4.256) 10.785 2.832 ( 7.622 14.270 -5.026) 16.940 3.438 ( 2.304 5.763 6.900) 9.281 4.800 ( 6.429 6.506 3.234) 9.702 5.068 ( 16.804 26.008 -3.979) 31.219 5.950 ( 17.017 15.640 4.340) 23.517 6.672 ( -9.335 1.045 -0.335) 9.399 7.336 ( -9.044 -11.306 2.184) 14.642 7.504 ( 13.186 -4.378 -2.411) 14.102 8.130 ( 8.044 10.277 -1.427) 13.128 8.934 ( -7.961 9.828 -0.220) 12.650 9.708 ( 4.649 -3.356 -2.221) 6.149 15.080 ( 14.382 30.661 0.744) 33.874 17.145 ( 14.474 10.200 -4.544) 18.281 18.463 ( 16.142 20.778 -3.686) 26.568 19.764 ( 7.287 4.774 2.103) 8.962 21.889 ( -13.916 1.364 -1.708) 14.086 22.936 ( 2.053 -15.784 -1.810) 16.020 23.067 ( 3.782 1.762 0.010) 4.173 24.385 ( 8.379 15.902 -13.582) 22.529 25.154 ( -2.794 -4.115 0.847) 5.045 25.488 ( 0.444 1.570 0.758) 1.799 26.038 ( -5.440 -8.273 0.033) 9.902 26.628 ( -8.697 -3.779 -1.485) 9.598 27.344 ( -2.254 -9.882 0.275) 10.139 28.654 ( -3.719 -6.395 -1.336) 7.518 28.890 ( -7.331 -1.899 -1.034) 7.643 29.057 ( 0.862 -6.127 -1.373) 6.338 32.150 ( -7.524 -6.653 10.518) 14.543 32.302 ( -6.089 -10.370 1.596) 12.131 51.769 ( -0.936 -1.019 1.725) 2.212 52.476 ( -17.776 -4.121 2.452) 18.411 53.123 ( 15.325 -2.513 -1.032) 15.564 55.186 ( -3.491 -6.448 -0.259) 7.337 55.683 ( -2.246 8.282 -1.639) 8.737 56.355 ( 5.577 1.064 1.064) 5.777======================= Grid point 393 (82/147) =======================q-point: ( 0.31 0.15 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 677Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.818 ( 0.386 8.249 2.341) 8.583 3.071 ( 7.113 7.801 -5.409) 11.862 3.540 ( 2.801 5.193 5.796) 8.271 4.954 ( 3.690 5.833 5.228) 8.658 5.578 ( 12.964 23.064 -2.190) 26.548 6.282 ( 10.203 5.032 2.002) 11.551 6.506 ( -13.713 5.625 -0.660) 14.837 7.082 ( -5.955 -13.310 3.139) 14.915 7.734 ( 15.282 -1.221 -1.201) 15.378 8.396 ( 10.519 8.561 -1.498) 13.644 8.841 ( -13.165 9.509 0.302) 16.243 9.718 ( 3.629 -8.132 -0.229) 8.908 15.517 ( 1.734 27.917 0.610) 27.977 17.559 ( 21.005 8.413 -3.219) 22.855 18.845 ( 11.077 6.684 -3.027) 13.286 19.909 ( 7.797 -2.781 2.550) 8.662 21.626 ( -18.803 8.020 2.145) 20.554 22.839 ( 3.252 -13.765 -1.308) 14.204 23.143 ( 3.604 0.164 -0.346) 3.624 24.658 ( 6.573 11.069 -13.164) 18.412 25.071 ( -3.206 -0.695 0.284) 3.293 25.495 ( -0.456 -0.234 0.945) 1.075 25.921 ( -2.416 -2.003 0.123) 3.141 26.409 ( -11.839 -2.401 -1.052) 12.126 27.244 ( 2.644 -10.955 0.020) 11.269 28.555 ( -2.193 -2.831 -1.749) 3.986 28.740 ( -7.650 -1.110 -1.131) 7.813 29.022 ( 2.217 -6.351 -1.266) 6.844 31.998 ( -4.890 -2.999 4.517) 7.301 32.130 ( -3.038 -7.355 1.650) 8.127 51.757 ( -0.017 0.396 1.876) 1.917 52.175 ( -15.744 2.523 2.260) 16.104 53.348 ( 17.731 -10.970 0.428) 20.854 55.057 ( -3.715 -5.813 -0.187) 6.901 55.724 ( -4.776 11.831 -1.289) 12.823 56.435 ( 3.970 -1.554 -0.049) 4.264======================= Grid point 394 (83/147) =======================q-point: ( 0.38 0.15 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 677Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.877 ( -2.098 6.666 1.206) 7.091 3.229 ( 5.171 2.165 -3.693) 6.713 3.622 ( 1.011 3.734 5.011) 6.330 5.020 ( -2.457 4.657 5.351) 7.508 5.958 ( 8.414 13.487 -1.040) 15.930 6.297 ( -18.636 13.603 -1.658) 23.132 6.468 ( 7.176 0.536 0.734) 7.233 6.869 ( -3.007 -12.830 4.134) 13.811 7.950 ( 9.775 -2.605 -0.038) 10.116 8.591 ( 1.747 5.016 -0.366) 5.324 8.723 ( -7.182 6.366 -0.025) 9.597 9.700 ( 4.478 -7.676 0.057) 8.887 15.709 ( -9.172 24.469 0.436) 26.135 17.945 ( 12.608 4.294 -1.900) 13.454 18.974 ( 5.747 -8.196 -3.446) 10.587 19.973 ( 6.216 -8.095 3.516) 10.795 21.457 ( -13.538 15.280 2.600) 20.580 22.773 ( 3.641 -11.135 -0.579) 11.729 23.189 ( 2.087 -1.054 -0.494) 2.389 24.817 ( 1.759 6.163 -12.220) 13.798 25.033 ( -3.913 4.392 -0.385) 5.895 25.478 ( 0.038 -1.174 0.980) 1.530 25.896 ( -1.527 2.610 0.140) 3.027 26.222 ( -6.287 -0.944 -0.699) 6.395 27.208 ( 5.585 -10.973 -0.098) 12.313 28.520 ( -1.470 1.239 -2.438) 3.105 28.627 ( -3.530 -0.422 -0.773) 3.638 29.005 ( 2.963 -6.138 -1.169) 6.916 31.917 ( -1.927 -0.925 1.970) 2.906 32.055 ( 0.860 -4.332 1.171) 4.569 51.775 ( 0.767 1.013 2.270) 2.602 51.993 ( -10.679 7.944 1.906) 13.446 53.495 ( 15.546 -18.387 1.161) 24.106 54.964 ( -1.543 -2.674 -0.253) 3.097 55.751 ( -6.679 13.258 -1.005) 14.879 56.463 ( 2.124 -3.178 -0.693) 3.885======================= Grid point 395 (84/147) =======================q-point: (-0.54 0.15 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 677Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.880 ( -4.089 4.608 0.966) 6.236 3.281 ( 0.400 -2.352 -3.566) 4.291 3.637 ( -2.358 1.407 5.179) 5.862 4.970 ( -7.212 3.439 5.432) 9.661 5.920 ( -19.542 2.303 -1.552) 19.738 6.328 ( 0.265 20.408 -1.042) 20.436 6.504 ( -3.269 -5.405 -0.305) 6.324 6.799 ( 8.183 -5.034 4.991) 10.827 7.953 ( -2.067 -10.046 -0.083) 10.256 8.638 ( -3.914 1.450 -1.143) 4.328 8.666 ( -4.079 8.943 0.765) 9.859 9.737 ( 7.603 -6.877 0.098) 10.252 15.702 ( -17.166 19.896 0.424) 26.281 17.972 ( -8.261 -7.709 -1.906) 11.459 18.944 ( 2.235 -10.129 -3.317) 10.890 19.975 ( 4.118 -9.455 3.609) 10.926 21.464 ( -6.471 20.221 1.875) 21.314 22.749 ( 5.863 -9.956 -0.258) 11.557 23.192 ( 0.046 -1.995 -0.480) 2.053 24.831 ( -5.183 1.939 -12.554) 13.720 25.017 ( -2.869 5.006 0.331) 5.780 25.488 ( 1.799 -0.249 0.789) 1.980 25.898 ( -1.467 2.747 0.154) 3.118 26.212 ( 3.189 4.584 -0.660) 5.623 27.214 ( 7.248 -10.108 -0.130) 12.439 28.509 ( -0.963 1.558 -2.379) 3.002 28.637 ( 2.596 3.274 -0.831) 4.260 29.003 ( 3.721 -5.767 -1.171) 6.963 31.922 ( 2.484 1.177 2.170) 3.502 32.062 ( 3.871 -2.722 0.927) 4.823 51.775 ( -1.157 -0.146 2.270) 2.552 51.995 ( -1.449 13.195 1.909) 13.411 53.504 ( 9.233 -22.578 1.147) 24.420 54.964 ( 3.080 0.007 -0.247) 3.090 55.757 ( -7.736 12.822 -1.019) 15.009 56.447 ( 0.164 -3.891 -0.676) 3.952======================= Grid point 396 (85/147) =======================q-point: (-0.46 0.15 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 677Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.828 ( -6.005 2.305 1.620) 6.633 3.177 ( -8.303 -5.338 -5.005) 11.067 3.577 ( -4.369 -0.930 6.401) 7.805 4.868 ( -7.688 2.751 5.290) 9.729 5.523 ( -28.727 3.701 -2.717) 29.092 6.281 ( -12.571 -7.103 2.052) 14.585 6.541 ( 2.971 13.085 -0.748) 13.439 6.980 ( 12.463 1.319 3.347) 12.972 7.752 ( -4.931 -14.095 -1.205) 14.981 8.425 ( -12.506 -5.388 -1.464) 13.696 8.805 ( -0.914 16.824 0.318) 16.852 9.784 ( 5.855 -8.967 -0.112) 10.710 15.502 ( -25.274 12.679 0.575) 28.282 17.598 ( -17.840 -14.930 -3.247) 23.489 18.807 ( -10.925 -5.061 -2.868) 12.378 19.918 ( -0.378 -8.672 2.817) 9.126 21.622 ( -0.268 21.768 0.305) 21.772 22.781 ( 9.328 -9.559 -0.305) 13.359 23.151 ( -1.999 -2.554 -0.347) 3.262 24.682 ( -12.304 -0.883 -12.694) 17.700 25.050 ( 2.223 3.018 0.643) 3.803 25.514 ( 0.803 -0.262 0.667) 1.076 25.922 ( 2.874 1.053 0.131) 3.064 26.390 ( 7.722 9.428 -0.943) 12.223 27.259 ( 8.561 -7.977 -0.084) 11.701 28.542 ( 3.517 1.033 -1.813) 4.089 28.750 ( 4.547 5.835 -1.064) 7.473 29.019 ( 4.496 -5.188 -1.268) 6.982 32.022 ( 6.695 2.201 5.061) 8.677 32.136 ( 7.329 -1.587 0.968) 7.561 51.760 ( -0.118 0.076 1.879) 1.885 52.173 ( 5.270 14.671 2.260) 15.751 53.377 ( 2.283 -21.713 0.380) 21.836 55.056 ( 6.800 0.329 -0.175) 6.810 55.739 ( -7.689 10.241 -1.372) 12.880 56.394 ( -2.018 -3.318 0.062) 3.884======================= Grid point 397 (86/147) =======================q-point: (-0.38 0.15 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 677Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.714 ( -8.669 -0.102 3.322) 9.284 2.901 ( -16.365 -5.392 -4.077) 17.706 3.477 ( -5.026 -2.748 7.524) 9.457 4.757 ( -8.418 1.696 3.116) 9.135 5.024 ( -31.509 3.010 -4.755) 32.007 5.915 ( -23.536 -3.957 4.537) 24.294 6.699 ( 3.888 6.482 -0.254) 7.563 7.219 ( 9.266 6.855 1.385) 11.609 7.569 ( 2.076 -13.882 -1.667) 14.135 8.152 ( -12.685 -3.693 -1.322) 13.278 8.923 ( -3.209 12.569 -0.354) 12.977 9.740 ( -0.714 -8.589 -2.022) 8.853 15.070 ( -33.667 3.727 0.716) 33.880 17.164 ( -16.499 -9.129 -4.534) 19.393 18.448 ( -25.684 -2.159 -3.657) 26.033 19.787 ( -6.121 -6.255 2.266) 9.041 21.846 ( 1.877 16.937 -3.688) 17.435 22.891 ( 12.951 -6.287 -0.193) 14.398 23.078 ( -3.238 -2.611 -0.197) 4.164 24.407 ( -17.186 -1.449 -12.919) 21.549 25.142 ( 4.962 1.492 0.908) 5.260 25.502 ( -1.458 -0.885 0.589) 1.804 26.039 ( 9.905 0.542 0.030) 9.919 26.614 ( 7.631 6.765 -1.349) 10.286 27.357 ( 9.798 -4.050 0.130) 10.603 28.648 ( 7.456 0.675 -1.383) 7.613 28.893 ( 4.981 5.166 -0.994) 7.245 29.056 ( 5.119 -3.825 -1.363) 6.535 32.184 ( 10.563 0.266 11.917) 15.927 32.294 ( 11.480 0.577 0.012) 11.495 51.773 ( 1.507 -0.088 1.726) 2.293 52.457 ( 10.762 13.842 2.384) 17.695 53.170 ( -2.899 -17.709 -1.057) 17.976 55.184 ( 7.188 -0.013 -0.253) 7.193 55.696 ( -6.003 5.241 -1.800) 8.170 56.315 ( -4.578 -0.900 1.304) 4.845======================= Grid point 405 (87/147) =======================q-point: ( 0.23 0.23 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 677Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.859 ( 4.081 6.605 2.459) 8.144 3.081 ( 1.798 9.951 -5.612) 11.565 3.554 ( 1.971 5.663 6.421) 8.785 4.924 ( 6.380 6.067 6.539) 10.966 5.579 ( 15.047 23.789 -2.943) 28.302 6.203 ( 6.176 10.116 2.064) 12.030 6.702 ( -0.352 1.454 -0.438) 1.558 7.035 ( -4.872 -15.369 2.294) 16.285 7.560 ( 2.805 6.418 -1.802) 7.232 8.358 ( 5.765 11.915 -0.962) 13.271 9.027 ( 1.346 -0.669 -0.046) 1.504 9.635 ( -4.639 -3.346 0.305) 5.728 15.661 ( 15.490 25.734 1.093) 30.056 17.405 ( 7.906 16.251 -3.930) 18.495 18.769 ( 6.354 8.735 -2.437) 11.073 19.826 ( 0.731 1.693 3.267) 3.752 21.889 ( -1.594 -1.663 -0.795) 2.437 22.659 ( -3.135 -10.423 -2.399) 11.146 23.122 ( 1.074 2.729 0.655) 3.006 24.666 ( 6.090 11.982 -11.664) 17.796 25.088 ( -0.183 -1.666 0.480) 1.743 25.504 ( -0.779 -0.152 0.638) 1.018 25.931 ( -1.439 -2.446 0.085) 2.839 26.518 ( -3.517 -7.491 -1.160) 8.357 27.150 ( -5.703 -8.714 0.116) 10.415 28.556 ( -1.449 -3.236 -1.537) 3.864 28.841 ( -2.780 -3.593 -0.756) 4.605 28.934 ( -2.548 -5.241 -1.708) 6.073 32.041 ( -3.646 -4.515 6.154) 8.459 32.113 ( -4.558 -8.011 0.246) 9.220 51.760 ( -0.015 0.144 1.864) 1.870 52.379 ( -2.838 -5.467 2.637) 6.701 53.090 ( -1.591 -0.698 0.049) 1.738 55.060 ( -3.346 -5.835 -0.195) 6.729 55.845 ( 3.454 7.383 -1.763) 8.339 56.367 ( 1.797 0.285 0.404) 1.864======================= Grid point 406 (88/147) =======================q-point: ( 0.31 0.23 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 677Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.971 ( 0.492 6.866 1.703) 7.091 3.178 ( 2.616 2.694 -3.547) 5.166 3.640 ( 1.606 4.428 5.091) 6.936 5.073 ( 2.878 5.876 7.817) 10.194 5.972 ( 7.060 14.787 -1.970) 16.504 6.358 ( 5.529 2.798 0.111) 6.197 6.716 ( -8.233 16.127 -0.420) 18.112 6.802 ( -4.500 -13.608 2.091) 14.485 7.707 ( 10.656 -3.585 -0.454) 11.252 8.564 ( 5.537 8.486 -0.245) 10.136 8.959 ( -8.719 1.862 0.452) 8.927 9.553 ( 1.781 -7.289 0.739) 7.540 16.062 ( 0.846 24.666 1.335) 24.716 17.761 ( 15.000 12.612 -3.044) 19.832 18.825 ( 0.604 -8.689 -2.319) 9.014 19.839 ( 2.005 -3.647 4.240) 5.941 21.814 ( -10.068 10.297 0.108) 14.401 22.556 ( 4.344 -13.796 -2.964) 14.764 23.162 ( 1.125 1.088 0.734) 1.729 24.845 ( 3.136 7.734 -10.419) 13.349 25.114 ( 0.614 4.733 -0.110) 4.774 25.470 ( -1.378 -2.433 0.669) 2.875 25.932 ( 0.785 3.109 0.030) 3.207 26.345 ( -8.633 -4.359 -0.817) 9.705 27.013 ( 1.645 -11.199 0.001) 11.319 28.538 ( 0.567 1.130 -1.736) 2.148 28.722 ( -7.222 -0.655 -0.978) 7.317 28.880 ( 2.920 -7.603 -1.412) 8.266 31.952 ( -3.428 -1.684 1.781) 4.214 32.000 ( -0.301 -5.343 1.103) 5.464 51.773 ( 0.593 0.966 2.265) 2.533 52.273 ( -9.549 7.259 2.120) 12.180 53.083 ( 9.064 -14.674 1.054) 17.280 54.964 ( -2.034 -3.485 -0.255) 4.043 55.954 ( -1.562 10.720 -1.337) 10.915 56.385 ( 2.183 -3.412 -0.445) 4.075======================= Grid point 407 (89/147) =======================q-point: ( 0.38 0.23 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 677Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.005 ( -3.800 5.846 0.871) 7.027 3.230 ( 2.650 -1.832 -1.797) 3.688 3.683 ( -0.763 2.089 4.653) 5.157 5.116 ( -4.012 4.409 7.787) 9.807 6.109 ( -2.372 4.422 -1.757) 5.316 6.463 ( 3.453 -1.160 -0.324) 3.657 6.630 ( 0.259 -7.842 2.807) 8.333 6.736 ( -13.201 23.983 -1.230) 27.404 7.792 ( 7.606 -13.455 0.329) 15.460 8.696 ( -0.576 4.822 -0.173) 4.859 8.835 ( -5.540 5.097 0.990) 7.593 9.546 ( 5.340 -7.124 0.509) 8.918 16.186 ( -12.327 20.848 1.347) 24.258 18.027 ( -0.802 3.997 -2.105) 4.588 18.721 ( 6.940 -14.737 -3.035) 16.569 19.835 ( 2.995 -5.118 4.874) 7.676 21.783 ( -8.755 16.535 -0.281) 18.712 22.515 ( 6.933 -14.008 -2.561) 15.838 23.179 ( 0.256 -0.165 0.672) 0.738 24.921 ( -1.668 3.817 -10.217) 11.034 25.148 ( -4.467 6.295 0.010) 7.718 25.440 ( 2.036 -2.649 0.597) 3.394 25.979 ( -2.651 4.962 -0.070) 5.626 26.212 ( -0.622 0.179 -0.567) 0.860 26.976 ( 6.604 -11.042 -0.069) 12.867 28.570 ( -2.637 2.882 -2.335) 4.551 28.633 ( 0.089 1.737 -0.543) 1.822 28.867 ( 4.091 -7.406 -1.281) 8.557 31.909 ( -0.132 0.132 0.964) 0.982 31.978 ( 2.187 -3.211 0.719) 3.951 51.786 ( -0.139 0.251 2.554) 2.570 52.222 ( -8.178 14.206 1.757) 16.486 53.093 ( 12.033 -20.503 1.427) 23.816 54.928 ( 0.620 -1.063 -0.294) 1.265 55.999 ( -5.953 10.941 -1.085) 12.503 56.380 ( 2.330 -5.010 -0.826) 5.587======================= Grid point 409 (90/147) =======================q-point: (-0.54 0.23 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 677Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.963 ( -6.115 3.169 1.223) 6.996 3.214 ( -1.832 -3.690 -3.176) 5.202 3.650 ( -4.070 -0.039 5.217) 6.617 5.041 ( -8.023 3.142 7.822) 11.637 5.969 ( -17.308 1.928 -2.156) 17.548 6.376 ( -5.804 -5.178 -0.032) 7.778 6.711 ( -4.449 13.187 0.863) 13.943 6.771 ( 8.280 2.170 1.160) 8.638 7.707 ( -1.922 -10.987 -0.496) 11.165 8.581 ( -10.082 -2.101 -0.307) 10.303 8.932 ( 2.419 10.457 0.540) 10.747 9.581 ( 6.691 -7.176 0.741) 9.839 16.055 ( -22.060 12.050 1.312) 25.171 17.783 ( -18.029 -8.394 -3.062) 20.121 18.803 ( 6.862 -3.018 -2.214) 7.817 19.840 ( 2.195 -3.626 4.277) 6.021 21.831 ( -3.697 13.245 -0.565) 13.763 22.529 ( 8.661 -9.087 -2.408) 12.782 23.165 ( -1.280 -0.736 0.671) 1.622 24.855 ( -7.957 0.329 -10.618) 13.272 25.101 ( -4.592 2.856 0.329) 5.418 25.478 ( 3.001 -0.667 0.509) 3.117 25.934 ( -3.148 0.745 0.034) 3.235 26.336 ( 7.808 5.930 -0.773) 9.836 27.019 ( 9.160 -7.393 -0.032) 11.771 28.531 ( -1.312 0.694 -1.750) 2.295 28.732 ( 4.178 5.556 -0.932) 7.013 28.875 ( 5.078 -6.440 -1.445) 8.327 31.952 ( 3.692 1.781 2.079) 4.596 32.007 ( 4.726 -2.685 0.782) 5.491 51.773 ( -1.090 -0.062 2.265) 2.514 52.273 ( -1.563 11.836 2.123) 12.126 53.089 ( 8.630 -15.640 1.046) 17.893 54.964 ( 4.029 0.013 -0.252) 4.037 55.962 ( -8.226 6.255 -1.370) 10.424 56.372 ( 1.204 -2.660 -0.411) 2.949======================= Grid point 420 (91/147) =======================q-point: ( 0.31 0.31 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 677Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.087 ( 3.056 4.463 0.757) 5.461 3.184 ( -1.704 -1.601 -0.992) 2.540 3.702 ( 0.759 1.537 4.595) 4.904 5.170 ( 2.256 3.160 8.716) 9.541 6.160 ( 2.423 4.460 -1.491) 5.290 6.418 ( 1.241 3.987 -0.684) 4.231 6.563 ( -4.012 -9.347 0.900) 10.211 7.097 ( 10.455 18.203 0.056) 20.992 7.550 ( -6.398 -11.225 0.166) 12.922 8.739 ( 4.177 8.463 0.419) 9.447 8.912 ( -2.372 -5.667 0.564) 6.169 9.456 ( -1.768 -2.308 0.870) 3.035 16.422 ( 5.772 9.803 2.110) 11.570 18.076 ( 9.408 17.604 -2.941) 20.176 18.538 ( -9.364 -17.513 -2.554) 20.023 19.782 ( -0.948 -1.621 5.213) 5.541 22.020 ( 4.662 9.253 -1.558) 10.477 22.306 ( -5.184 -10.317 -2.817) 11.884 23.177 ( 0.176 0.388 0.967) 1.057 24.958 ( 1.592 3.032 -9.418) 10.021 25.236 ( 4.125 6.461 0.154) 7.667 25.395 ( -3.066 -4.804 0.340) 5.709 26.039 ( 3.888 6.955 -0.191) 7.970 26.225 ( -3.938 -7.234 -0.539) 8.254 26.843 ( -2.866 -4.807 -0.005) 5.596 28.598 ( 3.057 4.692 -1.669) 5.844 28.710 ( -2.721 -1.904 -0.532) 3.363 28.734 ( -1.767 -5.296 -1.846) 5.881 31.923 ( -0.401 -1.557 0.393) 1.655 31.932 ( -1.149 -1.001 0.797) 1.720 51.788 ( 0.252 0.440 2.626) 2.675 52.454 ( 5.582 9.639 1.789) 11.281 52.796 ( -7.305 -12.530 1.451) 14.576 54.918 ( -0.671 -1.159 -0.308) 1.375 56.139 ( 3.890 7.187 -1.155) 8.254 56.301 ( -2.315 -4.546 -0.821) 5.167======================= Grid point 543 (92/147) =======================q-point: ( 0.00 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.024 ( 0.000 0.000 29.807) 29.807 2.024 ( 0.000 -0.000 29.807) 29.807 2.983 ( 0.000 0.000 -18.505) 18.505 2.983 ( -0.000 -0.000 -18.505) 18.505 3.151 ( 0.000 0.000 47.115) 47.115 4.888 ( 0.000 0.000 -33.186) 33.186 7.504 ( 0.000 -0.000 0.006) 0.006 7.504 ( 0.000 0.000 0.006) 0.006 7.575 ( 0.000 0.000 -0.425) 0.425 7.575 ( -0.000 0.000 -0.425) 0.425 7.762 ( 0.000 0.000 1.737) 1.737 9.799 ( 0.000 -0.000 0.457) 0.457 12.656 ( 0.000 -0.000 0.329) 0.329 16.232 ( 0.000 0.000 -6.403) 6.403 16.232 ( -0.000 -0.000 -6.403) 6.403 19.019 ( 0.000 -0.000 3.074) 3.074 19.019 ( 0.000 0.000 3.074) 3.074 22.774 ( 0.000 0.000 -0.150) 0.150 23.990 ( 0.000 0.000 -0.329) 0.329 23.990 ( 0.000 0.000 -0.329) 0.329 25.323 ( 0.000 -0.000 1.072) 1.072 25.323 ( 0.000 0.000 1.072) 1.072 26.941 ( 0.000 -0.000 0.220) 0.220 26.941 ( 0.000 -0.000 0.220) 0.220 27.978 ( 0.000 -0.000 0.412) 0.412 29.185 ( 0.000 -0.000 -0.684) 0.684 29.185 ( 0.000 0.000 -0.684) 0.684 29.358 ( -0.000 0.000 -0.202) 0.202 33.081 ( 0.000 0.000 -0.350) 0.350 34.703 ( 0.000 -0.000 0.091) 0.091 51.943 ( 0.000 0.000 1.480) 1.480 51.943 ( 0.000 0.000 1.480) 1.480 54.617 ( 0.000 0.000 0.581) 0.581 55.246 ( 0.000 0.000 -0.827) 0.827 55.246 ( 0.000 -0.000 -0.827) 0.827 55.789 ( 0.000 0.000 -0.345) 0.345======================= Grid point 544 (93/147) =======================q-point: ( 0.08 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 364Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.103 ( 7.828 4.519 25.615) 27.163 2.167 ( 5.570 3.216 24.682) 25.506 3.128 ( 14.323 8.270 -14.316) 21.875 3.150 ( 12.040 6.951 -16.633) 21.678 3.306 ( 15.009 8.666 40.497) 44.049 4.734 ( -9.130 -5.271 -26.300) 28.334 7.275 ( -11.434 -6.601 -0.051) 13.203 7.480 ( 1.094 0.632 -2.982) 3.239 7.758 ( 0.233 0.134 1.549) 1.572 7.783 ( 9.691 5.595 -0.305) 11.195 7.966 ( 24.288 14.023 -0.422) 28.049 9.541 ( -17.738 -10.241 -0.786) 20.498 12.856 ( 16.809 9.705 0.341) 19.413 16.288 ( 4.544 2.623 -6.332) 8.223 16.414 ( 14.855 8.577 -6.220) 18.246 19.051 ( 4.435 2.560 4.182) 6.611 19.606 ( 44.055 25.435 -6.995) 51.349 22.796 ( 1.894 1.094 -0.118) 2.191 23.874 ( -8.510 -4.913 0.827) 9.861 23.961 ( -3.525 -2.035 -1.170) 4.235 25.321 ( -0.203 -0.117 0.962) 0.990 25.337 ( 1.227 0.709 1.028) 1.751 26.879 ( -5.289 -3.054 0.221) 6.111 26.925 ( -1.491 -0.861 -0.014) 1.721 27.927 ( -4.277 -2.470 0.436) 4.958 29.150 ( -2.843 -1.641 -0.565) 3.331 29.168 ( -1.703 -0.983 -0.820) 2.130 29.326 ( -2.639 -1.524 -0.250) 3.058 33.018 ( -5.300 -3.060 -0.250) 6.124 34.375 ( -25.855 -14.928 6.131) 30.478 51.929 ( -1.017 -0.587 1.593) 1.979 52.086 ( 11.240 6.490 -0.516) 12.990 54.197 ( -26.417 -15.252 1.603) 30.545 55.255 ( 0.659 0.381 -0.933) 1.204 55.572 ( 18.672 10.780 -0.699) 21.572 55.765 ( -1.954 -1.128 -0.355) 2.284======================= Grid point 545 (94/147) =======================q-point: ( 0.15 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 364Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.252 ( 3.902 2.253 13.004) 13.762 2.309 ( 8.815 5.089 16.783) 19.629 3.330 ( 4.446 2.567 9.742) 11.012 3.540 ( 21.347 12.325 -11.840) 27.346 3.969 ( 33.718 19.467 10.268) 40.266 4.667 ( 7.226 4.172 -14.669) 16.876 7.014 ( -11.076 -6.395 0.210) 12.792 7.488 ( -1.032 -0.596 -3.846) 4.026 7.771 ( 1.237 0.714 1.138) 1.826 7.986 ( 7.769 4.485 -0.371) 8.979 8.430 ( 8.971 5.179 5.743) 11.844 9.265 ( 0.393 0.227 -9.408) 9.419 13.387 ( 27.854 16.081 0.335) 32.165 16.443 ( 8.986 5.188 -5.510) 11.748 16.870 ( 23.898 13.798 -5.437) 28.126 19.220 ( 9.935 5.736 4.208) 12.219 20.731 ( 46.897 27.076 -17.498) 56.908 22.857 ( 3.331 1.923 0.006) 3.847 23.641 ( -10.023 -5.787 1.463) 11.665 23.833 ( -7.373 -4.257 -1.581) 8.659 25.311 ( -0.727 -0.420 0.756) 1.130 25.377 ( 2.190 1.265 0.976) 2.711 26.702 ( -9.816 -5.667 0.176) 11.336 26.865 ( -3.972 -2.293 -0.525) 4.617 27.794 ( -6.842 -3.950 0.531) 7.919 29.058 ( -5.027 -2.902 -0.448) 5.822 29.094 ( -4.955 -2.861 -1.045) 5.817 29.254 ( -3.068 -1.771 -0.358) 3.561 32.846 ( -9.388 -5.420 0.176) 10.842 33.671 ( -31.982 -18.465 13.123) 39.192 51.898 ( -1.640 -0.947 1.647) 2.510 52.397 ( 14.014 8.091 -2.846) 16.430 53.590 ( -24.247 -13.999 3.191) 28.180 55.275 ( 1.011 0.584 -0.973) 1.520 55.681 ( -4.338 -2.504 -0.128) 5.010 55.972 ( 14.363 8.292 -0.728) 16.600======================= Grid point 546 (95/147) =======================q-point: ( 0.23 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 364Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.401 ( 9.146 5.281 4.274) 11.393 2.488 ( 6.619 3.821 9.318) 12.052 3.403 ( 2.758 1.592 7.696) 8.329 4.095 ( 25.627 14.796 -7.612) 30.554 4.495 ( 13.281 7.668 -0.836) 15.358 5.209 ( 34.459 19.895 -0.070) 39.790 6.767 ( -10.280 -5.935 0.531) 11.882 7.435 ( -3.055 -1.764 -2.950) 4.599 7.824 ( 3.577 2.065 0.526) 4.164 8.138 ( 5.390 3.112 -0.380) 6.236 8.387 ( -6.488 -3.746 3.758) 8.381 9.523 ( 14.985 8.651 -7.209) 18.745 14.067 ( 29.216 16.868 0.209) 33.736 16.714 ( 14.769 8.527 -4.101) 17.540 17.486 ( 28.706 16.574 -4.561) 33.459 19.495 ( 13.418 7.747 3.233) 15.827 21.534 ( 18.913 10.919 -14.260) 26.082 22.943 ( 3.935 2.272 0.303) 4.554 23.533 ( 3.691 2.131 -2.356) 4.870 23.634 ( -9.500 -5.485 -1.665) 11.095 25.282 ( -2.038 -1.176 0.556) 2.418 25.434 ( 2.606 1.505 1.038) 3.184 26.440 ( -12.444 -7.185 0.105) 14.370 26.730 ( -7.826 -4.519 -0.971) 9.089 27.636 ( -6.253 -3.610 0.576) 7.243 28.926 ( -6.191 -3.575 -0.355) 7.158 28.939 ( -8.135 -4.697 -1.314) 9.485 29.195 ( -2.065 -1.192 -0.550) 2.447 32.599 ( -11.642 -6.722 1.289) 13.505 32.999 ( -25.044 -14.459 12.311) 31.429 51.857 ( -1.878 -1.084 1.635) 2.716 52.589 ( -2.783 -1.607 -2.482) 4.061 53.219 ( -2.430 -1.403 3.311) 4.340 55.300 ( 1.121 0.647 -0.941) 1.601 55.555 ( -6.507 -3.757 -0.023) 7.514 56.242 ( 9.172 5.296 -0.743) 10.617======================= Grid point 547 (96/147) =======================q-point: ( 0.31 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 364Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.618 ( 4.745 2.739 4.987) 7.409 2.658 ( 12.473 7.201 0.040) 14.402 3.480 ( 3.930 2.269 5.301) 6.979 4.684 ( 24.796 14.316 -5.362) 29.130 4.747 ( 9.133 5.273 -0.404) 10.554 5.943 ( 26.012 15.018 1.783) 30.089 6.535 ( -9.996 -5.771 0.875) 11.575 7.365 ( -2.887 -1.667 -1.226) 3.552 7.960 ( 8.509 4.913 -0.095) 9.826 8.236 ( 3.114 1.798 -0.339) 3.611 8.265 ( -3.157 -1.823 0.094) 3.647 9.797 ( 7.903 4.563 -2.004) 9.343 14.663 ( 21.307 12.302 -0.075) 24.604 17.130 ( 20.925 12.081 -2.504) 24.291 18.154 ( 28.204 16.283 -3.954) 32.806 19.814 ( 13.598 7.851 1.633) 15.786 21.611 ( -8.120 -4.688 -2.750) 9.771 23.029 ( 3.188 1.841 1.097) 3.841 23.414 ( -8.980 -5.185 -1.841) 10.532 23.817 ( 17.637 10.183 -9.796) 22.599 25.206 ( -4.709 -2.719 0.413) 5.453 25.489 ( 2.005 1.157 1.137) 2.579 26.156 ( -11.403 -6.583 0.070) 13.167 26.513 ( -10.408 -6.009 -1.114) 12.069 27.521 ( -3.690 -2.131 0.435) 4.283 28.739 ( -8.802 -5.082 -1.666) 10.299 28.782 ( -5.978 -3.451 -0.316) 6.910 29.155 ( -1.457 -0.841 -0.703) 1.823 32.324 ( -11.747 -6.782 3.292) 13.959 32.537 ( -15.056 -8.692 6.601) 18.596 51.815 ( -1.688 -0.975 1.567) 2.501 52.315 ( -15.143 -8.743 0.553) 17.494 53.430 ( 14.859 8.579 1.188) 17.199 55.325 ( 0.976 0.564 -0.850) 1.412 55.382 ( -8.328 -4.808 0.067) 9.616 56.405 ( 5.119 2.955 -0.960) 5.988======================= Grid point 548 (97/147) =======================q-point: ( 0.38 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 364Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.709 ( 3.124 1.804 2.590) 4.441 2.943 ( 11.512 6.646 -1.287) 13.355 3.576 ( 4.119 2.378 3.972) 6.197 4.906 ( 4.259 2.459 0.128) 4.919 5.217 ( 21.008 12.129 -4.194) 24.618 6.297 ( -10.799 -6.235 1.252) 12.533 6.372 ( 11.936 6.891 1.451) 13.859 7.296 ( -3.228 -1.864 1.746) 4.117 8.093 ( -0.042 -0.024 0.126) 0.135 8.287 ( 1.400 0.808 -0.276) 1.640 8.365 ( 13.339 7.701 -2.266) 15.568 9.888 ( 0.513 0.296 0.476) 0.760 15.033 ( 10.997 6.349 -0.289) 12.701 17.628 ( 20.468 11.817 -1.317) 23.671 18.737 ( 21.052 12.154 -3.600) 24.573 20.094 ( 10.103 5.833 -0.131) 11.666 21.348 ( -11.937 -6.892 4.391) 14.466 23.067 ( -0.645 -0.372 3.284) 3.367 23.255 ( -3.868 -2.233 -3.143) 5.461 24.202 ( 13.907 8.029 -12.371) 20.271 25.065 ( -6.988 -4.035 0.296) 8.075 25.516 ( 0.228 0.131 1.071) 1.102 25.944 ( -6.632 -3.829 0.159) 7.660 26.289 ( -8.040 -4.642 -0.964) 9.334 27.462 ( -1.593 -0.920 0.216) 1.852 28.552 ( -6.929 -4.001 -1.994) 8.246 28.661 ( -4.293 -2.479 -0.355) 4.970 29.128 ( -0.917 -0.529 -0.752) 1.299 32.089 ( -7.985 -4.610 3.302) 9.793 32.279 ( -7.793 -4.499 2.571) 9.358 51.781 ( -1.125 -0.649 1.461) 1.955 52.008 ( -10.701 -6.179 1.377) 12.434 53.783 ( 14.607 8.433 1.031) 16.898 55.179 ( -8.985 -5.188 0.037) 10.375 55.343 ( 0.619 0.357 -0.723) 1.016 56.488 ( 2.262 1.306 -1.070) 2.823======================= Grid point 549 (98/147) =======================q-point: ( 0.46 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 364Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.763 ( 1.536 0.887 1.230) 2.158 3.158 ( 6.495 3.750 -2.598) 7.937 3.653 ( 2.198 1.269 3.235) 4.112 4.942 ( -0.841 -0.485 0.937) 1.350 5.625 ( 12.276 7.088 -3.546) 14.612 6.046 ( -9.223 -5.325 1.724) 10.789 6.547 ( 3.915 2.260 0.565) 4.556 7.221 ( -2.944 -1.700 5.147) 6.168 8.067 ( -0.998 -0.576 -0.358) 1.207 8.306 ( 0.342 0.197 -0.218) 0.451 8.658 ( 8.210 4.740 -2.280) 9.750 9.870 ( -0.547 -0.316 0.420) 0.759 15.191 ( 3.095 1.787 -0.274) 3.584 17.988 ( 9.077 5.240 -0.983) 10.527 19.075 ( 7.407 4.276 -3.195) 9.130 20.260 ( 3.966 2.290 -1.507) 4.821 21.135 ( -5.592 -3.229 7.972) 10.259 23.020 ( -1.901 -1.097 4.091) 4.643 23.225 ( -0.105 -0.061 -3.079) 3.082 24.424 ( 5.188 2.995 -12.923) 14.244 24.928 ( -3.828 -2.210 0.311) 4.431 25.509 ( -0.425 -0.245 0.761) 0.905 25.848 ( -1.914 -1.105 0.296) 2.230 26.165 ( -2.715 -1.568 -0.585) 3.189 27.441 ( -0.299 -0.173 0.003) 0.346 28.436 ( -2.837 -1.638 -2.092) 3.887 28.593 ( -1.458 -0.842 -0.470) 1.748 29.113 ( -0.339 -0.196 -0.725) 0.824 31.967 ( -2.432 -1.404 2.259) 3.604 32.164 ( -2.316 -1.337 0.956) 2.840 51.765 ( -0.314 -0.181 1.338) 1.386 51.839 ( -3.720 -2.148 1.585) 4.579 54.056 ( 7.644 4.413 0.979) 8.880 55.001 ( -5.126 -2.960 -0.142) 5.921 55.352 ( 0.130 0.075 -0.585) 0.604 56.515 ( 0.190 0.110 -0.838) 0.866======================= Grid point 550 (99/147) =======================q-point: (-0.46 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 364Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.780 ( -0.050 -0.029 0.553) 0.556 3.217 ( -1.876 -1.083 -5.045) 5.491 3.669 ( -0.741 -0.428 2.716) 2.848 4.891 ( -3.110 -1.795 3.008) 4.684 5.551 ( -15.641 -9.030 -0.304) 18.063 6.097 ( 10.619 6.131 -0.614) 12.277 6.553 ( -3.821 -2.206 -0.006) 4.412 7.178 ( -0.436 -0.252 7.195) 7.213 8.065 ( 1.014 0.585 -0.373) 1.229 8.305 ( -0.425 -0.246 -0.178) 0.523 8.653 ( -8.328 -4.808 -1.992) 9.821 9.909 ( 3.444 1.989 -1.137) 4.137 15.186 ( -3.500 -2.021 -0.083) 4.042 18.002 ( -7.994 -4.615 -1.532) 9.357 19.061 ( -8.523 -4.921 -2.550) 10.166 20.274 ( -2.588 -1.494 -2.133) 3.672 21.103 ( 2.689 1.552 8.859) 9.388 23.016 ( 1.738 1.004 4.452) 4.884 23.214 ( -1.005 -0.580 -2.840) 3.068 24.442 ( -3.593 -2.075 -13.244) 13.879 24.920 ( 3.223 1.861 0.607) 3.771 25.515 ( 0.957 0.553 0.496) 1.212 25.848 ( 1.929 1.113 0.294) 2.246 26.158 ( 2.161 1.248 -0.308) 2.514 27.445 ( 0.692 0.400 -0.203) 0.825 28.429 ( 2.271 1.311 -1.818) 3.191 28.597 ( 1.782 1.029 -0.625) 2.150 29.113 ( 0.301 0.173 -0.702) 0.783 31.980 ( 3.563 2.057 1.888) 4.527 32.167 ( 2.473 1.428 0.657) 2.930 51.768 ( 0.568 0.328 1.219) 1.384 51.839 ( 3.715 2.145 1.575) 4.570 54.074 ( -6.146 -3.548 0.230) 7.100 55.001 ( 5.174 2.987 -0.125) 5.976 55.349 ( -0.387 -0.223 -0.464) 0.644 56.499 ( -1.564 -0.903 -0.177) 1.815======================= Grid point 551 (100/147) =======================q-point: (-0.38 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 364Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.761 ( -1.598 -0.922 0.572) 1.932 3.064 ( -10.966 -6.331 -6.115) 14.062 3.636 ( -1.715 -0.990 1.791) 2.670 4.805 ( -4.554 -2.629 3.915) 6.556 5.102 ( -22.297 -12.873 0.473) 25.751 6.344 ( 10.113 5.839 -0.729) 11.700 6.351 ( -14.086 -8.133 2.192) 16.412 7.199 ( 1.911 1.103 5.778) 6.185 8.113 ( 2.724 1.573 -0.665) 3.215 8.284 ( -1.465 -0.846 -0.164) 1.699 8.365 ( -13.815 -7.976 -2.243) 16.109 9.960 ( -0.515 -0.297 -2.336) 2.411 15.020 ( -11.246 -6.493 0.217) 12.987 17.658 ( -20.236 -11.683 -2.504) 23.500 18.709 ( -21.109 -12.187 -2.411) 24.494 20.148 ( -8.156 -4.709 -2.373) 9.712 21.237 ( 7.967 4.600 7.712) 12.004 23.081 ( 2.224 1.284 4.705) 5.360 23.194 ( 0.828 0.478 -2.623) 2.792 24.262 ( -11.665 -6.735 -13.478) 19.055 25.047 ( 6.684 3.859 1.028) 7.786 25.534 ( 0.153 0.089 0.283) 0.334 25.945 ( 6.709 3.874 0.111) 7.748 26.273 ( 7.784 4.494 -0.252) 8.991 27.474 ( 1.872 1.081 -0.358) 2.191 28.534 ( 6.543 3.777 -1.267) 7.660 28.671 ( 4.514 2.606 -0.769) 5.268 29.127 ( 0.983 0.568 -0.733) 1.352 32.131 ( 9.401 5.428 1.731) 10.992 32.277 ( 7.149 4.128 2.371) 8.589 51.790 ( 1.329 0.767 1.125) 1.903 52.004 ( 10.322 5.960 1.509) 12.015 53.834 ( -13.145 -7.590 -1.128) 15.221 55.182 ( 9.190 5.306 -0.083) 10.611 55.335 ( -0.823 -0.475 -0.384) 1.025 56.442 ( -3.422 -1.976 0.853) 4.043======================= Grid point 552 (101/147) =======================q-point: (-0.31 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 364Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.706 ( -3.128 -1.806 1.724) 4.002 2.755 ( -14.658 -8.463 -3.799) 17.346 3.596 ( -1.737 -1.003 1.598) 2.564 4.540 ( -26.038 -15.033 0.197) 30.067 4.666 ( -7.730 -4.463 1.388) 9.034 5.884 ( -26.449 -15.270 4.626) 30.889 6.566 ( 9.298 5.368 -0.386) 10.744 7.252 ( 2.480 1.432 3.371) 4.423 8.022 ( -9.560 -5.520 -2.468) 11.312 8.232 ( -3.126 -1.805 -0.188) 3.615 8.281 ( 6.999 4.041 -0.806) 8.122 9.839 ( -10.523 -6.076 -3.479) 12.639 14.648 ( -21.186 -12.232 0.490) 24.469 17.154 ( -21.558 -12.446 -3.443) 25.130 18.133 ( -27.693 -15.989 -3.089) 32.126 19.912 ( -11.898 -6.869 -2.434) 13.953 21.401 ( 3.949 2.280 3.939) 6.025 23.048 ( -3.671 -2.120 0.664) 4.291 23.319 ( 8.400 4.850 1.777) 9.861 23.944 ( -14.324 -8.270 -12.732) 20.873 25.186 ( 4.800 2.771 1.237) 5.678 25.511 ( -2.031 -1.173 0.146) 2.350 26.159 ( 11.428 6.598 -0.032) 13.196 26.495 ( 10.541 6.086 -0.317) 12.176 27.537 ( 3.714 2.145 -0.349) 4.303 28.714 ( 8.656 4.997 -0.695) 10.019 28.796 ( 6.044 3.490 -0.864) 7.032 29.158 ( 1.623 0.937 -0.792) 2.035 32.382 ( 11.046 6.377 -0.365) 12.760 32.527 ( 15.708 9.069 8.021) 19.833 51.827 ( 1.799 1.038 1.082) 2.342 52.292 ( 13.616 7.861 1.498) 15.794 53.521 ( -12.755 -7.364 -2.727) 14.979 55.312 ( -1.082 -0.625 -0.365) 1.302 55.390 ( 8.418 4.860 -0.218) 9.722 56.338 ( -5.743 -3.316 1.978) 6.921======================= Grid point 553 (102/147) =======================q-point: (-0.23 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 364Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.437 ( -11.992 -6.924 2.145) 14.013 2.614 ( -5.050 -2.916 5.369) 7.926 3.553 ( -2.215 -1.279 5.082) 5.689 3.923 ( -26.692 -15.411 -1.805) 30.874 4.435 ( -13.231 -7.639 -2.711) 15.517 5.177 ( -31.842 -18.384 2.595) 36.860 6.783 ( 9.728 5.616 -0.118) 11.233 7.311 ( 2.533 1.462 2.337) 3.744 7.856 ( -4.830 -2.788 -0.723) 5.624 8.135 ( -5.328 -3.076 -0.251) 6.157 8.533 ( 14.747 8.514 -2.111) 17.159 9.461 ( -22.275 -12.861 -4.850) 26.174 14.058 ( -28.907 -16.689 0.544) 33.383 16.719 ( -15.601 -9.007 -4.238) 18.506 17.477 ( -28.134 -16.243 -4.247) 32.762 19.619 ( -12.957 -7.481 -1.935) 15.086 21.276 ( -17.779 -10.265 -4.303) 20.976 22.952 ( -4.271 -2.466 -0.007) 4.932 23.534 ( 9.720 5.612 2.392) 11.475 23.706 ( -4.175 -2.411 -8.353) 9.644 25.266 ( 2.333 1.347 1.182) 2.942 25.451 ( -2.885 -1.666 0.215) 3.338 26.443 ( 12.426 7.174 0.001) 14.348 26.718 ( 8.142 4.701 -0.387) 9.410 27.650 ( 5.969 3.446 -0.102) 6.893 28.914 ( 8.235 4.755 -0.325) 9.515 28.939 ( 6.113 3.530 -0.895) 7.116 29.202 ( 2.195 1.267 -0.791) 2.655 32.628 ( 10.401 6.005 -0.404) 12.017 33.009 ( 25.526 14.738 12.120) 31.870 51.870 ( 1.861 1.074 1.106) 2.417 52.526 ( 2.663 1.537 0.535) 3.121 53.354 ( 2.222 1.283 -3.033) 3.973 55.287 ( -1.100 -0.635 -0.417) 1.336 55.562 ( 6.442 3.719 -0.354) 7.447 56.171 ( -8.854 -5.112 2.599) 10.549======================= Grid point 554 (103/147) =======================q-point: (-0.15 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 364Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.224 ( -6.503 -3.754 12.048) 14.196 2.458 ( -8.941 -5.162 14.569) 17.856 3.360 ( -20.543 -11.860 -8.356) 25.150 3.468 ( -5.872 -3.390 13.610) 15.205 3.924 ( -31.473 -18.171 2.577) 36.434 4.680 ( -7.176 -4.143 -13.469) 15.813 7.019 ( 10.715 6.186 -0.002) 12.373 7.366 ( 2.207 1.274 1.702) 3.065 7.782 ( -1.944 -1.122 0.758) 2.369 7.985 ( -7.655 -4.419 -0.328) 8.845 8.806 ( -27.962 -16.144 -12.051) 34.464 8.984 ( 18.282 10.555 4.168) 21.518 13.385 ( -27.674 -15.978 0.441) 31.958 16.434 ( -9.321 -5.382 -5.035) 11.883 16.873 ( -23.512 -13.575 -5.583) 27.718 19.335 ( -11.163 -6.445 -0.625) 12.905 20.556 ( -42.243 -24.389 -10.025) 49.798 22.860 ( -3.506 -2.024 -0.102) 4.050 23.749 ( 8.525 4.922 1.844) 10.015 23.758 ( 6.863 3.962 -3.278) 8.576 25.303 ( 1.014 0.586 1.096) 1.604 25.387 ( -2.526 -1.458 0.508) 2.960 26.704 ( 9.785 5.650 0.094) 11.299 26.859 ( 4.214 2.433 -0.264) 4.873 27.800 ( 6.537 3.774 0.218) 7.551 29.068 ( 4.849 2.799 -0.865) 5.665 29.076 ( 5.420 3.129 -0.304) 6.266 29.260 ( 2.888 1.668 -0.604) 3.390 32.854 ( 8.841 5.104 -0.224) 10.211 33.681 ( 31.647 18.271 12.566) 38.643 51.909 ( 1.489 0.860 1.197) 2.095 52.373 ( -12.549 -7.245 -1.653) 14.585 53.665 ( 21.381 12.344 -0.604) 24.696 55.264 ( -0.859 -0.496 -0.530) 1.125 55.686 ( 4.219 2.436 -0.380) 4.887 55.920 ( -13.006 -7.509 1.921) 15.141======================= Grid point 555 (104/147) =======================q-point: (-0.08 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 364Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.099 ( -5.471 -3.159 23.962) 24.781 2.204 ( -11.613 -6.705 26.214) 29.445 3.033 ( -7.526 -4.345 -16.660) 18.791 3.232 ( -19.979 -11.535 -15.470) 27.777 3.294 ( -11.020 -6.362 41.254) 43.171 4.739 ( 8.698 5.022 -26.523) 28.361 7.275 ( 11.266 6.504 -0.016) 13.008 7.418 ( 2.680 1.547 0.239) 3.104 7.756 ( -0.595 -0.344 1.668) 1.804 7.785 ( -9.598 -5.542 -0.367) 11.089 8.053 ( -31.004 -17.900 -4.949) 36.141 9.512 ( 21.618 12.481 0.804) 24.976 12.856 ( -16.765 -9.679 0.354) 19.362 16.279 ( -4.299 -2.482 -5.855) 7.676 16.421 ( -14.910 -8.608 -6.570) 18.427 19.121 ( -7.089 -4.093 1.253) 8.280 19.529 ( -40.375 -23.310 -3.719) 46.769 22.796 ( -1.944 -1.122 -0.133) 2.248 23.913 ( 5.419 3.129 0.794) 6.307 23.926 ( 6.070 3.505 -1.303) 7.129 25.318 ( 0.381 0.220 1.082) 1.168 25.340 ( -1.443 -0.833 0.882) 1.885 26.880 ( 5.246 3.029 0.174) 6.060 26.924 ( 1.586 0.916 0.055) 1.833 27.928 ( 4.170 2.407 0.387) 4.830 29.155 ( 2.612 1.508 -0.789) 3.118 29.161 ( 2.112 1.219 -0.537) 2.497 29.327 ( 2.494 1.440 -0.299) 2.895 33.019 ( 5.169 2.984 -0.293) 5.975 34.378 ( 25.615 14.789 6.002) 30.180 51.936 ( 0.762 0.440 1.335) 1.599 52.079 ( -10.899 -6.293 -0.243) 12.588 54.217 ( 24.608 14.208 0.500) 28.420 55.249 ( -0.409 -0.236 -0.680) 0.828 55.559 ( -17.417 -10.056 0.067) 20.112 55.764 ( 2.066 1.193 -0.336) 2.410======================= Grid point 557 (105/147) =======================q-point: ( 0.08 0.08 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 676Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.193 ( 3.691 4.400 15.771) 16.784 2.344 ( 0.826 12.173 18.413) 22.089 3.267 ( 9.258 11.543 -3.005) 15.099 3.431 ( 7.079 12.958 2.126) 14.918 3.734 ( 20.261 32.332 10.128) 39.477 4.649 ( -0.166 0.720 -18.034) 18.049 7.116 ( -5.919 -9.191 0.206) 10.933 7.398 ( 3.257 -4.763 -1.515) 5.966 7.768 ( 0.398 1.386 1.200) 1.877 7.910 ( 2.093 4.482 0.711) 4.998 8.514 ( 6.965 34.015 -2.678) 34.824 9.202 ( -2.556 -19.676 -3.625) 20.170 13.223 ( 15.065 25.937 0.380) 29.997 16.378 ( 4.419 6.805 -5.545) 9.828 16.736 ( 12.688 22.386 -5.787) 26.374 19.208 ( 1.204 11.170 2.389) 11.486 20.368 ( 33.385 45.270 -13.056) 57.744 22.839 ( 1.707 3.121 -0.075) 3.558 23.713 ( -9.151 -11.009 0.943) 14.347 23.876 ( -1.305 -5.200 -1.348) 5.528 25.312 ( -0.104 -0.785 0.967) 1.250 25.368 ( 0.899 2.262 0.775) 2.555 26.754 ( -5.417 -9.254 0.155) 10.724 26.893 ( -1.270 -2.516 -0.287) 2.833 27.835 ( -3.918 -6.442 0.396) 7.551 29.080 ( -3.237 -5.360 -0.598) 6.290 29.130 ( -1.182 -2.854 -0.737) 3.176 29.272 ( -2.303 -3.539 -0.416) 4.242 32.904 ( -4.966 -8.141 -0.110) 9.537 33.873 ( -18.754 -31.811 11.731) 38.747 51.912 ( -1.240 -1.272 1.430) 2.280 52.305 ( 8.973 14.096 -2.028) 16.833 53.767 ( -16.994 -24.412 1.426) 29.779 55.268 ( 1.005 0.914 -0.851) 1.603 55.717 ( -2.164 -3.066 -0.328) 3.767 55.848 ( 10.274 13.779 0.434) 17.193======================= Grid point 558 (106/147) =======================q-point: ( 0.15 0.08 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 676Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.322 ( 5.990 6.410 6.295) 10.798 2.485 ( 2.497 9.829 10.611) 14.677 3.402 ( 0.754 4.617 8.875) 10.033 3.882 ( 20.484 21.435 -8.198) 30.762 4.354 ( 15.763 15.740 1.337) 22.316 4.926 ( 21.769 23.177 -3.381) 31.977 6.904 ( -9.945 -4.729 0.419) 11.020 7.409 ( 2.955 -5.086 -3.025) 6.614 7.805 ( 0.912 2.917 0.641) 3.123 7.914 ( 3.226 -10.024 1.960) 10.711 8.703 ( -11.391 15.988 3.194) 19.889 9.302 ( 18.180 5.449 -9.521) 21.233 13.840 ( 22.953 28.222 0.352) 36.379 16.570 ( 9.682 7.725 -4.686) 13.243 17.272 ( 20.485 25.372 -4.737) 32.952 19.397 ( 7.521 10.881 2.912) 13.544 21.314 ( 27.525 27.779 -16.045) 42.269 22.913 ( 2.841 3.503 0.112) 4.512 23.437 ( -5.997 -14.237 0.951) 15.478 23.797 ( -4.578 1.990 -2.541) 5.601 25.294 ( -0.920 -1.451 0.740) 1.870 25.414 ( 1.716 2.371 0.821) 3.040 26.522 ( -8.685 -11.807 0.098) 14.658 26.817 ( -4.867 -2.633 -0.752) 5.584 27.680 ( -5.421 -7.238 0.479) 9.056 28.945 ( -4.688 -7.444 -0.633) 8.821 29.050 ( -5.452 -2.214 -0.865) 5.948 29.196 ( -1.587 -4.042 -0.534) 4.375 32.697 ( -8.524 -9.089 0.498) 12.470 33.218 ( -21.628 -24.685 13.333) 35.425 51.872 ( -1.569 -1.628 1.497) 2.711 52.607 ( 7.527 12.335 -3.059) 14.770 53.252 ( -13.814 -18.761 3.036) 23.496 55.292 ( 0.581 0.670 -0.898) 1.262 55.632 ( -4.549 -1.941 -0.279) 4.954 56.132 ( 9.789 7.181 0.114) 12.141======================= Grid point 559 (107/147) =======================q-point: ( 0.23 0.08 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 676Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.537 ( 9.318 8.800 0.423) 12.823 2.620 ( 2.802 8.053 5.954) 10.400 3.461 ( 1.720 4.000 6.171) 7.552 4.475 ( 21.095 22.806 -6.039) 31.648 4.665 ( 9.318 9.544 0.075) 13.339 5.645 ( 27.706 21.740 1.937) 35.270 6.685 ( -11.268 -2.330 0.573) 11.521 7.391 ( -1.249 -1.833 -2.572) 3.396 7.785 ( 5.770 -13.835 1.097) 15.030 7.971 ( 8.715 0.650 0.066) 8.739 8.652 ( -12.752 16.889 0.283) 21.164 9.647 ( 13.476 3.758 -3.748) 14.484 14.505 ( 20.087 26.457 0.175) 33.218 16.884 ( 17.514 8.523 -3.340) 19.761 17.911 ( 23.186 24.557 -3.912) 33.999 19.664 ( 11.516 8.329 2.319) 14.400 21.725 ( -1.160 7.859 -7.940) 11.232 22.999 ( 2.962 3.140 0.557) 4.353 23.270 ( 4.151 -17.806 -1.692) 18.361 23.839 ( 1.588 15.518 -6.058) 16.734 25.242 ( -2.768 -2.866 0.509) 4.017 25.469 ( 1.912 1.900 0.972) 2.866 26.244 ( -9.176 -11.286 0.038) 14.545 26.661 ( -10.123 -2.667 -1.042) 10.520 27.528 ( -3.233 -7.332 0.475) 8.027 28.778 ( -5.359 -7.898 -0.930) 9.589 28.905 ( -8.471 -1.545 -0.817) 8.649 29.142 ( -0.061 -4.171 -0.695) 4.229 32.441 ( -10.375 -8.758 1.994) 13.723 32.685 ( -15.761 -15.990 9.257) 24.286 51.829 ( -1.471 -1.591 1.479) 2.624 52.558 ( -18.513 -1.541 -0.367) 18.580 53.175 ( 16.655 -3.014 1.514) 16.993 55.285 ( -0.577 -3.250 -0.602) 3.355 55.536 ( -6.500 3.058 -0.378) 7.193 56.327 ( 6.951 3.028 -0.420) 7.594======================= Grid point 560 (108/147) =======================q-point: ( 0.31 0.08 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 676Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.711 ( 1.655 6.432 2.515) 7.102 2.826 ( 10.626 8.908 -0.695) 13.883 3.545 ( 3.060 4.068 4.526) 6.812 4.871 ( 5.815 7.501 0.351) 9.497 5.057 ( 17.946 22.073 -3.749) 28.693 6.196 ( 17.018 9.553 1.862) 19.604 6.462 ( -12.499 -1.329 0.654) 12.586 7.314 ( -3.763 -4.820 -0.013) 6.115 7.831 ( 14.043 -11.759 -0.201) 18.317 8.193 ( 11.969 7.852 -0.941) 14.345 8.588 ( -13.369 15.238 -0.380) 20.275 9.821 ( 5.935 -2.113 -0.211) 6.304 15.009 ( 9.328 22.130 -0.102) 24.015 17.339 ( 23.728 8.988 -1.933) 25.447 18.515 ( 20.549 17.854 -3.435) 27.438 19.934 ( 11.999 3.594 1.215) 12.584 21.578 ( -15.908 1.635 0.744) 16.009 23.051 ( 0.935 -2.301 1.879) 3.114 23.182 ( 3.936 -11.551 -3.123) 12.597 24.125 ( 9.214 16.686 -10.112) 21.577 25.136 ( -5.361 -4.006 0.289) 6.699 25.509 ( 0.949 0.711 1.069) 1.596 26.012 ( -6.584 -6.597 0.079) 9.320 26.433 ( -12.194 -2.541 -1.044) 12.500 27.430 ( 0.171 -7.002 0.310) 7.011 28.613 ( -5.429 -5.920 -1.494) 8.170 28.746 ( -7.673 -1.340 -0.600) 7.812 29.107 ( 0.678 -3.975 -0.784) 4.108 32.184 ( -9.335 -6.803 3.306) 12.015 32.353 ( -8.567 -9.409 3.925) 13.316 51.794 ( -1.016 -0.848 1.427) 1.946 52.208 ( -17.063 -2.222 1.220) 17.251 53.495 ( 20.363 -2.181 0.887) 20.498 55.191 ( -3.486 -7.781 -0.180) 8.528 55.487 ( -6.430 9.325 -0.588) 11.342 56.440 ( 4.256 0.522 -0.855) 4.372======================= Grid point 561 (109/147) =======================q-point: ( 0.38 0.08 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 676Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.781 ( -0.099 5.134 1.524) 5.357 3.075 ( 8.473 6.092 -1.772) 10.585 3.634 ( 2.525 3.271 3.515) 5.425 4.981 ( -0.401 5.245 1.140) 5.382 5.544 ( 13.472 19.942 -3.207) 24.279 6.212 ( -14.311 -2.077 1.035) 14.498 6.464 ( 8.246 2.477 1.091) 8.679 7.187 ( -1.685 -9.892 2.597) 10.365 7.974 ( 9.432 -3.155 -0.205) 9.947 8.465 ( -2.780 8.954 0.456) 9.386 8.539 ( 4.083 8.885 -2.320) 10.050 9.837 ( 1.444 -5.007 0.790) 5.271 15.276 ( -0.886 17.697 -0.214) 17.721 17.809 ( 18.669 6.739 -1.024) 19.874 18.932 ( 12.975 5.499 -3.255) 14.464 20.128 ( 9.195 -2.386 0.387) 9.507 21.332 ( -14.236 5.100 4.962) 15.915 22.988 ( 0.611 -8.807 1.781) 9.006 23.189 ( 2.594 -1.633 -2.131) 3.733 24.399 ( 5.465 10.473 -11.379) 16.403 25.002 ( -5.869 -1.384 0.155) 6.032 25.513 ( -0.401 -0.476 0.919) 1.110 25.888 ( -3.489 -1.292 0.211) 3.727 26.232 ( -7.498 -1.679 -0.791) 7.724 27.386 ( 2.421 -6.569 0.102) 7.002 28.485 ( -4.333 -2.168 -1.981) 5.235 28.629 ( -4.135 -1.049 -0.422) 4.287 29.085 ( 1.269 -3.682 -0.773) 3.970 32.007 ( -4.863 -3.503 2.450) 6.475 32.179 ( -3.270 -5.300 1.517) 6.410 51.783 ( -0.173 1.106 1.404) 1.796 51.952 ( -11.217 0.281 1.531) 11.324 53.790 ( 18.268 -7.698 0.998) 19.848 55.043 ( -4.567 -5.901 -0.117) 7.463 55.483 ( -6.275 11.077 -0.591) 12.745 56.491 ( 2.101 -1.012 -0.940) 2.515======================= Grid point 562 (110/147) =======================q-point: ( 0.46 0.08 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 676Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.811 ( -1.508 3.681 0.810) 4.060 3.213 ( 2.394 1.439 -3.430) 4.424 3.682 ( -0.065 1.596 2.885) 3.298 4.974 ( -4.965 3.697 2.577) 6.706 5.823 ( -14.013 10.164 -1.616) 17.386 6.007 ( 4.972 3.738 0.140) 6.222 6.559 ( 1.350 -0.963 0.105) 1.661 7.089 ( 3.197 -10.311 5.263) 12.010 8.053 ( 0.878 -0.921 -0.181) 1.286 8.422 ( -6.178 9.886 0.522) 11.670 8.684 ( 0.752 -1.917 -1.929) 2.822 9.832 ( 4.166 -3.402 -0.230) 5.384 15.351 ( -8.274 13.835 -0.102) 16.121 18.029 ( 1.608 -1.099 -1.119) 2.246 19.060 ( 2.265 -5.807 -2.755) 6.815 20.199 ( 4.583 -7.132 0.138) 8.479 21.222 ( -7.395 10.821 6.238) 14.515 22.941 ( 3.550 -7.119 2.142) 8.239 23.205 ( 0.543 -1.217 -1.703) 2.162 24.507 ( -1.940 4.918 -11.834) 12.961 24.936 ( -2.181 2.985 0.347) 3.714 25.505 ( 0.409 -0.097 0.604) 0.735 25.853 ( -0.893 1.577 0.265) 1.832 26.155 ( -0.740 0.587 -0.422) 1.034 27.378 ( 3.754 -6.050 -0.103) 7.121 28.431 ( -1.064 1.104 -1.949) 2.480 28.590 ( -0.018 0.540 -0.522) 0.751 29.077 ( 1.887 -3.351 -0.726) 3.913 31.951 ( 0.725 -0.211 1.797) 1.949 32.127 ( 1.491 -2.267 0.589) 2.777 51.819 ( -0.060 0.161 1.624) 1.633 51.825 ( -3.375 6.077 1.276) 7.068 53.927 ( 9.855 -15.727 0.776) 18.576 54.963 ( 0.366 -0.648 -0.183) 0.766 55.485 ( -6.580 11.437 -0.573) 13.207 56.496 ( 0.306 -2.019 -0.562) 2.118======================= Grid point 564 (111/147) =======================q-point: (-0.46 0.08 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 676Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.802 ( -2.801 2.014 0.529) 3.490 3.168 ( -6.439 -3.659 -5.465) 9.204 3.666 ( -2.316 0.119 2.368) 3.314 4.903 ( -6.690 2.729 4.361) 8.439 5.458 ( -25.842 -0.794 0.152) 25.855 6.261 ( 8.597 10.497 -1.002) 13.605 6.469 ( -7.650 -6.134 0.578) 9.822 7.110 ( 7.172 -4.530 5.971) 10.373 7.985 ( -1.461 -9.300 -0.668) 9.438 8.472 ( -3.851 14.498 0.690) 15.016 8.521 ( -11.650 -6.468 -2.061) 13.484 9.896 ( 5.233 -3.527 -1.533) 6.494 15.266 ( -15.225 9.414 0.155) 17.902 17.836 ( -14.634 -12.246 -2.107) 19.198 18.904 ( -11.615 -8.962 -2.070) 14.816 20.148 ( -0.899 -9.424 -0.233) 9.470 21.286 ( -0.820 15.111 5.858) 16.228 22.971 ( 7.496 -6.065 2.688) 10.010 23.181 ( -1.298 -2.127 -1.746) 3.043 24.430 ( -10.153 0.688 -12.064) 15.783 24.989 ( 3.703 4.185 0.738) 5.637 25.525 ( 1.093 0.308 0.379) 1.197 25.889 ( 2.873 2.417 0.188) 3.759 26.219 ( 4.792 5.445 -0.265) 7.258 27.395 ( 4.831 -5.232 -0.281) 7.127 28.472 ( 3.648 2.490 -1.465) 4.654 28.637 ( 3.141 3.252 -0.759) 4.585 29.084 ( 2.567 -2.982 -0.726) 4.001 32.030 ( 6.819 2.800 1.747) 7.576 32.181 ( 6.008 -0.020 1.124) 6.113 51.787 ( -0.598 0.655 1.254) 1.535 51.952 ( 5.207 9.845 1.507) 11.239 53.816 ( -0.947 -19.671 -0.111) 19.694 55.042 ( 7.394 0.978 -0.103) 7.459 55.484 ( -6.627 11.470 -0.648) 13.262 56.462 ( -1.484 -2.716 0.254) 3.105======================= Grid point 565 (112/147) =======================q-point: (-0.38 0.08 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 676Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.753 ( -4.183 -0.241 0.641) 4.239 2.936 ( -13.432 -5.877 -4.866) 15.448 3.619 ( -2.477 -1.053 2.001) 3.354 4.790 ( -8.785 0.808 3.442) 9.470 4.951 ( -30.415 -2.650 0.052) 30.530 6.156 ( -18.744 -10.229 3.496) 21.638 6.501 ( 6.917 9.594 -0.841) 11.858 7.208 ( 5.158 0.765 4.249) 6.727 7.865 ( 4.402 -17.330 -1.499) 17.943 8.221 ( -12.612 -6.091 -1.979) 14.144 8.572 ( -5.490 19.405 0.187) 20.168 9.880 ( -1.984 -7.427 -2.453) 8.070 14.995 ( -23.900 3.061 0.446) 24.099 17.368 ( -19.952 -16.389 -3.093) 26.004 18.490 ( -25.371 -8.432 -2.383) 26.842 19.986 ( -6.481 -9.749 -0.710) 11.728 21.459 ( 1.051 16.066 3.854) 16.556 23.060 ( 5.836 -3.878 3.532) 7.846 23.134 ( 2.920 -5.641 -2.390) 6.787 24.187 ( -16.640 -0.952 -11.661) 20.342 25.117 ( 5.999 2.866 1.046) 6.730 25.527 ( -0.857 -0.671 0.226) 1.112 26.013 ( 9.058 2.345 0.037) 9.356 26.416 ( 8.231 9.477 -0.317) 12.557 27.444 ( 6.171 -3.709 -0.339) 7.208 28.597 ( 7.749 2.203 -0.922) 8.109 28.754 ( 4.882 5.642 -0.871) 7.512 29.107 ( 3.257 -2.568 -0.784) 4.221 32.234 ( 11.695 4.484 0.829) 12.553 32.341 ( 11.955 2.294 4.661) 13.035 51.801 ( 1.507 0.287 1.123) 1.901 52.199 ( 9.615 13.308 1.570) 16.493 53.549 ( -6.195 -19.171 -1.434) 20.198 55.189 ( 8.256 -0.968 -0.079) 8.313 55.492 ( -4.927 10.882 -0.812) 11.973 56.389 ( -3.680 -3.082 1.315) 4.977======================= Grid point 566 (113/147) =======================q-point: (-0.31 0.08 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 676Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.590 ( -12.583 -6.158 -1.444) 14.084 2.696 ( -7.348 -0.981 2.757) 7.909 3.561 ( -2.095 -2.702 3.524) 4.910 4.366 ( -33.038 -2.747 -1.765) 33.199 4.610 ( -12.104 -1.254 0.250) 12.172 5.599 ( -32.099 -11.492 4.350) 34.370 6.710 ( 7.081 8.268 -0.421) 10.894 7.282 ( 2.089 1.552 2.140) 3.369 7.830 ( 8.451 -12.569 -1.015) 15.180 8.000 ( -4.812 -7.147 -1.028) 8.677 8.675 ( -4.518 19.707 -0.777) 20.233 9.654 ( -13.589 -11.409 -3.851) 18.156 14.495 ( -32.775 -3.792 0.569) 32.999 16.898 ( -16.796 -11.539 -3.871) 20.742 17.899 ( -32.470 -7.222 -3.412) 33.438 19.741 ( -10.636 -8.696 -0.747) 13.759 21.542 ( -10.695 10.397 -1.914) 15.038 23.010 ( -4.505 -1.479 0.289) 4.751 23.255 ( 15.425 -8.605 0.460) 17.669 23.903 ( -14.096 2.098 -8.730) 16.712 25.228 ( 3.924 1.500 1.115) 4.347 25.485 ( -2.606 -1.266 0.225) 2.906 26.245 ( 14.410 2.216 -0.014) 14.579 26.649 ( 7.504 7.880 -0.459) 10.891 27.541 ( 7.917 -1.270 -0.164) 8.020 28.769 ( 9.673 1.258 -0.621) 9.774 28.905 ( 5.269 6.210 -0.770) 8.180 29.145 ( 3.848 -2.028 -0.831) 4.429 32.477 ( 11.841 3.003 -0.454) 12.224 32.683 ( 22.709 5.927 10.067) 25.538 51.838 ( 2.301 0.131 1.117) 2.562 52.513 ( 8.123 13.990 1.501) 16.247 53.272 ( -2.388 -16.551 -2.665) 16.933 55.278 ( 2.786 -0.807 -0.314) 2.917 55.545 ( 0.580 7.243 -0.808) 7.311 56.270 ( -6.747 -2.873 2.147) 7.641======================= Grid point 567 (114/147) =======================q-point: (-0.23 0.08 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 676Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.333 ( -10.041 -3.056 5.372) 11.790 2.555 ( -7.753 -3.375 8.605) 12.065 3.475 ( -4.401 -5.333 8.146) 10.686 3.795 ( -29.810 1.107 -5.001) 30.247 4.319 ( -22.082 -2.859 -0.789) 22.280 4.921 ( -29.260 -6.513 -2.082) 30.048 6.916 ( 8.692 5.674 -0.074) 10.381 7.328 ( 2.309 1.037 0.661) 2.616 7.817 ( -3.106 -0.759 0.207) 3.204 7.942 ( 5.891 -8.996 0.433) 10.762 8.846 ( 6.181 12.606 -0.255) 14.042 9.186 ( -26.487 -10.580 -7.087) 29.389 13.836 ( -35.791 -5.438 0.484) 36.205 16.570 ( -11.977 -4.579 -4.624) 13.631 17.270 ( -31.933 -4.802 -4.658) 32.626 19.462 ( -11.968 -6.903 0.237) 13.818 21.186 ( -37.803 1.641 -10.795) 39.349 22.916 ( -4.567 -1.033 -0.010) 4.682 23.468 ( 16.763 -4.581 0.526) 17.386 23.802 ( -1.616 4.325 -3.417) 5.744 25.286 ( 1.802 0.730 1.032) 2.201 25.423 ( -2.987 -1.053 0.430) 3.196 26.523 ( 14.589 1.520 0.059) 14.668 26.812 ( 4.833 3.373 -0.503) 5.915 27.686 ( 8.845 0.530 0.166) 8.863 28.943 ( 8.996 0.500 -0.577) 9.028 29.044 ( 4.454 3.957 -0.642) 5.993 29.201 ( 4.334 -0.958 -0.728) 4.498 32.708 ( 11.707 1.809 -0.081) 11.846 33.225 ( 32.362 5.819 13.053) 35.377 51.879 ( 2.285 -0.059 1.226) 2.594 52.572 ( -12.438 2.648 -1.230) 12.776 53.323 ( 21.348 -3.619 -0.494) 21.658 55.286 ( -0.980 0.411 -0.664) 1.253 55.638 ( 3.845 2.613 -0.578) 4.685 56.093 ( -11.196 -1.622 1.991) 11.487======================= Grid point 572 (115/147) =======================q-point: ( 0.15 0.15 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 676Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.512 ( 5.382 12.060 -0.382) 13.212 2.665 ( 2.045 8.040 5.005) 9.689 3.499 ( -0.719 4.740 5.966) 7.653 4.382 ( 19.547 27.762 -5.110) 34.336 4.614 ( 8.550 11.615 0.663) 14.438 5.487 ( 18.349 29.156 2.919) 34.573 6.810 ( -4.191 -5.067 0.054) 6.576 7.334 ( 4.019 -2.079 -1.432) 4.746 7.656 ( -9.641 -12.595 1.161) 15.904 7.922 ( 3.295 7.836 -0.395) 8.510 8.911 ( 1.105 4.462 -0.036) 4.597 9.496 ( 7.548 12.106 -4.467) 14.949 14.466 ( 19.295 32.833 0.478) 38.086 16.766 ( 6.687 12.329 -3.921) 14.564 17.833 ( 17.307 29.315 -3.647) 34.237 19.623 ( 3.934 11.117 1.592) 11.899 21.728 ( 13.399 11.865 -8.788) 19.939 22.992 ( 2.148 4.275 0.244) 4.791 23.131 ( -9.186 -14.703 0.717) 17.352 23.924 ( 4.541 10.544 -6.058) 12.981 25.247 ( -1.434 -3.350 0.796) 3.730 25.466 ( 0.991 2.655 0.561) 2.889 26.264 ( -7.530 -12.996 0.020) 15.020 26.743 ( -2.588 -5.213 -0.801) 5.875 27.517 ( -5.468 -8.664 0.241) 10.248 28.783 ( -4.588 -8.347 -0.714) 9.552 28.990 ( -2.210 -4.148 -0.712) 4.753 29.104 ( -2.886 -4.566 -0.835) 5.466 32.498 ( -7.139 -10.436 0.492) 12.653 32.745 ( -12.554 -21.708 10.505) 27.188 51.836 ( -1.377 -1.885 1.265) 2.656 52.831 ( 15.851 -5.051 0.791) 16.656 52.909 ( -20.676 -0.354 -0.759) 20.693 55.274 ( -1.459 -2.910 -0.475) 3.290 55.622 ( 0.132 1.095 -0.947) 1.453 56.254 ( 5.030 5.111 1.110) 7.256======================= Grid point 573 (116/147) =======================q-point: ( 0.23 0.15 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 676Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.749 ( 7.111 11.754 -3.110) 14.085 2.777 ( 2.206 7.455 3.482) 8.518 3.553 ( 1.329 4.985 4.731) 7.000 4.849 ( 7.478 10.728 1.128) 13.126 5.002 ( 17.599 26.655 -2.363) 32.028 6.020 ( 15.720 14.847 2.561) 21.774 6.669 ( -9.397 0.588 0.079) 9.416 7.352 ( -8.055 -6.696 -0.847) 10.509 7.476 ( 13.016 -8.598 -0.127) 15.600 8.110 ( 7.758 10.219 -0.534) 12.841 8.927 ( -7.807 9.806 -0.398) 12.540 9.676 ( 6.597 -0.565 -0.887) 6.680 15.091 ( 14.077 30.964 0.356) 34.016 17.070 ( 15.613 10.667 -2.873) 19.126 18.396 ( 16.372 22.059 -2.867) 27.620 19.806 ( 6.986 5.561 2.037) 9.158 21.842 ( -7.555 3.722 -3.121) 8.982 22.903 ( 1.213 -16.698 -1.098) 16.778 23.074 ( 2.738 3.110 0.530) 4.177 24.166 ( 6.761 16.313 -8.149) 19.448 25.167 ( -3.115 -4.379 0.427) 5.391 25.504 ( 0.761 1.395 0.770) 1.765 26.039 ( -5.392 -8.221 0.033) 9.832 26.604 ( -8.644 -3.581 -0.968) 9.406 27.349 ( -2.313 -10.074 0.283) 10.340 28.631 ( -4.053 -6.543 -1.020) 7.764 28.872 ( -7.509 -1.730 -0.703) 7.738 29.034 ( 1.034 -6.397 -0.915) 6.545 32.265 ( -8.417 -8.456 1.874) 12.077 32.384 ( -8.374 -13.745 5.653) 17.059 51.800 ( -0.861 -1.073 1.287) 1.884 52.516 ( -18.341 -3.115 1.409) 18.657 53.114 ( 16.952 -2.491 0.129) 17.134 55.181 ( -3.380 -6.260 -0.200) 7.117 55.657 ( -1.746 7.820 -0.967) 8.071 56.366 ( 4.364 1.011 0.058) 4.480======================= Grid point 574 (117/147) =======================q-point: ( 0.31 0.15 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 676Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.858 ( -0.774 7.728 1.299) 7.875 2.995 ( 8.392 7.679 -1.847) 11.524 3.634 ( 2.042 4.635 3.786) 6.323 5.038 ( 2.761 8.872 2.920) 9.740 5.532 ( 13.649 23.967 -2.355) 27.682 6.318 ( 9.368 3.317 1.589) 10.064 6.497 ( -13.768 5.272 -0.229) 14.745 7.123 ( -4.826 -13.559 0.867) 14.419 7.715 ( 16.459 -0.788 -0.634) 16.490 8.375 ( 10.275 9.513 -0.567) 14.014 8.840 ( -12.948 9.711 -0.328) 16.189 9.724 ( 3.921 -7.097 0.840) 8.151 15.524 ( 1.249 28.398 0.161) 28.426 17.509 ( 22.367 8.616 -1.682) 24.028 18.787 ( 10.539 7.644 -2.617) 13.280 19.956 ( 7.331 -1.027 2.085) 7.691 21.665 ( -15.349 6.535 1.293) 16.732 22.803 ( 5.129 -15.942 -1.971) 16.862 23.144 ( 2.355 1.770 0.369) 2.969 24.431 ( 5.335 13.531 -8.991) 17.099 25.075 ( -3.507 -1.126 0.054) 3.684 25.513 ( -0.273 -0.464 0.863) 1.017 25.923 ( -2.322 -2.003 0.118) 3.069 26.389 ( -11.615 -2.196 -0.891) 11.855 27.246 ( 2.489 -11.046 0.173) 11.325 28.523 ( -2.803 -2.841 -1.472) 4.254 28.722 ( -7.528 -1.021 -0.581) 7.619 29.001 ( 2.392 -6.465 -0.893) 6.950 32.062 ( -6.395 -5.291 2.107) 8.563 32.172 ( -3.790 -8.453 2.162) 9.513 51.790 ( 0.131 0.578 1.377) 1.499 52.214 ( -15.948 2.621 1.569) 16.238 53.360 ( 18.380 -10.585 0.764) 21.224 55.054 ( -3.722 -5.851 -0.135) 6.936 55.704 ( -4.345 11.661 -0.740) 12.467 56.428 ( 3.258 -1.653 -0.632) 3.708======================= Grid point 575 (118/147) =======================q-point: ( 0.38 0.15 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 676Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.900 ( -2.528 6.358 0.926) 6.905 3.171 ( 4.908 3.203 -1.998) 6.192 3.701 ( 0.711 3.249 3.000) 4.479 5.112 ( -3.563 7.418 3.527) 8.953 5.936 ( 9.476 14.457 -1.301) 17.335 6.274 ( -19.343 12.540 -0.504) 23.058 6.483 ( 6.293 -0.223 0.740) 6.341 6.931 ( -0.421 -14.239 2.011) 14.387 7.951 ( 10.112 -2.179 0.043) 10.344 8.591 ( 4.089 4.874 0.301) 6.369 8.716 ( -9.775 8.128 -0.714) 12.733 9.706 ( 3.851 -7.619 0.564) 8.556 15.715 ( -9.520 25.073 0.147) 26.820 17.916 ( 13.247 4.338 -0.941) 13.971 18.911 ( 5.214 -7.674 -2.746) 9.675 20.033 ( 5.699 -6.021 2.407) 8.632 21.514 ( -11.791 12.078 2.765) 17.104 22.751 ( 5.973 -13.660 -1.432) 14.977 23.186 ( 1.060 0.451 0.154) 1.162 24.594 ( 0.238 8.722 -9.320) 12.767 25.032 ( -3.645 4.290 0.006) 5.629 25.495 ( -0.058 -1.451 0.697) 1.611 25.899 ( -1.457 2.451 0.156) 2.856 26.209 ( -6.032 -0.762 -0.597) 6.109 27.207 ( 5.466 -11.024 -0.007) 12.305 28.476 ( -2.026 1.328 -1.882) 3.068 28.615 ( -3.274 -0.276 -0.381) 3.307 28.985 ( 3.078 -6.197 -0.809) 6.967 31.951 ( -1.953 -2.037 1.429) 3.163 32.075 ( 0.246 -4.936 0.783) 5.004 51.814 ( 0.981 1.379 1.611) 2.337 52.027 ( -10.955 7.689 1.386) 13.455 53.516 ( 15.635 -18.175 0.978) 23.994 54.959 ( -1.575 -2.728 -0.182) 3.156 55.734 ( -6.538 13.142 -0.641) 14.692 56.449 ( 2.045 -3.177 -0.740) 3.850======================= Grid point 576 (119/147) =======================q-point: (-0.54 0.15 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 676Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.898 ( -4.084 4.665 0.795) 6.251 3.210 ( -1.618 -1.647 -3.425) 4.130 3.713 ( -2.001 1.347 2.552) 3.512 5.077 ( -7.635 6.072 4.978) 10.952 5.902 ( -19.983 1.239 -0.198) 20.022 6.303 ( 0.816 21.368 -1.420) 21.431 6.499 ( -2.722 -5.327 -0.211) 5.986 6.890 ( 9.636 -7.775 3.937) 12.993 7.952 ( -2.801 -10.087 -0.034) 10.469 8.617 ( -5.993 -2.487 -0.931) 6.555 8.682 ( -3.003 13.919 0.826) 14.263 9.733 ( 6.980 -6.541 -0.496) 9.578 15.710 ( -17.361 20.572 0.340) 26.920 17.935 ( -9.156 -8.567 -1.702) 12.654 18.891 ( 2.749 -9.049 -1.883) 9.643 20.036 ( 2.709 -7.959 2.382) 8.738 21.509 ( -5.514 16.524 2.503) 17.598 22.739 ( 7.840 -12.462 -0.664) 14.738 23.188 ( -0.775 -0.547 0.038) 0.949 24.604 ( -6.705 4.329 -9.668) 12.537 25.025 ( -2.450 5.048 0.395) 5.625 25.501 ( 1.739 -0.494 0.421) 1.856 25.900 ( -1.363 2.573 0.110) 2.913 26.202 ( 3.164 4.590 -0.309) 5.583 27.210 ( 7.160 -10.107 -0.178) 12.388 28.469 ( -0.621 2.171 -1.558) 2.743 28.622 ( 2.249 3.016 -0.677) 3.823 28.983 ( 3.747 -5.863 -0.756) 6.999 31.958 ( 3.486 0.782 1.298) 3.801 32.077 ( 4.247 -2.683 0.556) 5.054 51.815 ( -1.608 -0.152 1.594) 2.269 52.028 ( -1.118 13.315 1.344) 13.430 53.523 ( 8.668 -22.575 0.699) 24.192 54.959 ( 3.153 0.006 -0.184) 3.158 55.738 ( -7.842 12.509 -0.807) 14.786 56.437 ( 0.674 -3.673 -0.275) 3.745======================= Grid point 577 (120/147) =======================q-point: (-0.46 0.15 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 676Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.851 ( -5.594 2.689 0.787) 6.257 3.081 ( -9.128 -4.832 -4.620) 11.314 3.666 ( -3.687 -0.329 2.679) 4.569 4.979 ( -9.698 4.157 5.436) 11.869 5.487 ( -29.357 2.692 -0.786) 29.491 6.318 ( -10.009 -6.934 1.594) 12.281 6.521 ( 3.350 13.524 -1.222) 13.986 7.053 ( 12.332 -0.789 3.788) 12.925 7.728 ( -6.189 -14.786 -1.140) 16.070 8.396 ( -13.104 -4.506 -1.380) 13.925 8.815 ( -1.563 16.478 0.708) 16.567 9.772 ( 4.723 -8.237 -1.060) 9.554 15.514 ( -25.388 13.269 0.583) 28.652 17.536 ( -18.665 -15.724 -2.799) 24.565 18.762 ( -11.662 -4.512 -1.529) 12.597 19.967 ( -1.875 -7.387 1.851) 7.843 21.636 ( -0.662 17.892 1.274) 17.950 22.778 ( 10.922 -11.833 -0.114) 16.103 23.149 ( -2.700 -1.065 0.070) 2.904 24.455 ( -13.449 1.270 -9.667) 16.611 25.063 ( 2.573 2.836 0.632) 3.881 25.524 ( 0.792 -0.315 0.333) 0.914 25.924 ( 2.838 0.978 0.091) 3.004 26.377 ( 7.550 9.225 -0.351) 11.926 27.255 ( 8.553 -7.819 -0.245) 11.591 28.512 ( 3.803 1.404 -1.082) 4.196 28.731 ( 4.509 5.844 -0.894) 7.435 28.998 ( 4.486 -5.382 -0.801) 7.052 32.086 ( 9.115 2.633 1.295) 9.576 32.167 ( 8.565 -1.390 2.131) 8.935 51.793 ( -0.412 0.076 1.286) 1.353 52.213 ( 5.404 14.958 1.632) 15.988 53.380 ( 1.104 -21.801 -0.085) 21.829 55.053 ( 6.867 0.304 -0.116) 6.875 55.713 ( -7.852 9.695 -1.150) 12.529 56.400 ( -1.091 -2.994 0.533) 3.231======================= Grid point 578 (121/147) =======================q-point: (-0.38 0.15 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 676Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.744 ( -9.405 -0.405 -0.706) 9.440 2.841 ( -11.109 -3.773 -1.333) 11.808 3.589 ( -3.829 -1.877 3.610) 5.587 4.820 ( -12.290 1.744 2.474) 12.658 4.959 ( -33.502 2.200 -1.199) 33.595 5.997 ( -21.495 -4.217 3.536) 22.189 6.689 ( 4.308 6.859 -0.676) 8.128 7.258 ( 6.788 5.286 2.573) 8.980 7.532 ( 3.751 -14.089 -2.041) 14.722 8.127 ( -12.522 -3.046 -1.169) 12.940 8.918 ( -3.736 12.308 -0.094) 12.863 9.702 ( -3.624 -8.215 -1.817) 9.161 15.084 ( -33.797 3.920 0.637) 34.030 17.083 ( -17.325 -9.395 -3.411) 20.002 18.386 ( -27.060 -2.167 -2.435) 27.255 19.825 ( -7.184 -5.133 1.385) 8.937 21.786 ( -2.412 13.268 -1.925) 13.623 22.895 ( 14.622 -8.199 0.303) 16.767 23.078 ( -4.158 -0.983 0.180) 4.276 24.188 ( -16.878 0.062 -8.869) 19.066 25.159 ( 5.311 1.264 0.776) 5.514 25.512 ( -1.507 -0.721 0.379) 1.713 26.039 ( 9.828 0.539 0.027) 9.843 26.595 ( 7.457 6.392 -0.592) 9.840 27.357 ( 9.920 -3.673 -0.081) 10.578 28.625 ( 7.730 0.757 -0.831) 7.811 28.875 ( 5.007 5.425 -0.776) 7.423 29.034 ( 5.216 -4.119 -0.909) 6.708 32.292 ( 11.336 0.767 -0.233) 11.365 32.373 ( 16.553 1.138 7.026) 18.018 51.803 ( 1.470 -0.069 1.172) 1.881 52.501 ( 10.566 14.595 1.957) 18.124 53.148 ( -4.458 -17.984 -1.224) 18.569 55.180 ( 7.007 -0.076 -0.143) 7.009 55.664 ( -5.908 4.911 -1.339) 7.798 56.340 ( -3.557 -1.043 1.195) 3.894======================= Grid point 586 (122/147) =======================q-point: ( 0.23 0.23 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 676Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.902 ( 5.195 5.324 1.858) 7.667 2.986 ( 1.653 10.800 -3.947) 11.617 3.652 ( 1.529 4.656 3.521) 6.034 5.043 ( 6.959 8.627 4.975) 12.149 5.530 ( 15.399 24.618 -1.894) 29.100 6.238 ( 4.707 7.835 1.446) 9.254 6.693 ( -0.049 1.324 -0.388) 1.381 7.077 ( -5.752 -14.855 1.821) 16.033 7.525 ( 3.609 7.473 -1.517) 8.436 8.343 ( 6.309 12.326 -0.590) 13.859 9.026 ( 1.163 -0.092 -0.056) 1.168 9.641 ( -3.396 -2.511 0.232) 4.230 15.680 ( 15.546 26.105 0.742) 30.393 17.337 ( 8.557 16.619 -2.742) 18.893 18.727 ( 6.465 9.707 -1.761) 11.795 19.886 ( 1.197 2.599 2.572) 3.848 21.869 ( 0.295 -0.964 -1.104) 1.495 22.622 ( -5.145 -10.507 -1.197) 11.760 23.136 ( 1.386 2.797 0.693) 3.197 24.463 ( 6.664 12.849 -8.312) 16.691 25.096 ( -0.633 -1.865 0.302) 1.993 25.516 ( -0.586 -0.341 0.539) 0.866 25.932 ( -1.426 -2.434 0.073) 2.822 26.500 ( -3.611 -7.140 -0.705) 8.032 27.151 ( -5.569 -8.923 0.041) 10.518 28.529 ( -1.633 -3.385 -1.094) 3.915 28.828 ( -2.652 -3.506 -0.554) 4.431 28.905 ( -2.637 -5.332 -1.125) 6.054 32.113 ( -5.618 -6.837 0.383) 8.858 32.147 ( -4.468 -9.535 3.630) 11.138 51.792 ( 0.148 0.378 1.322) 1.383 52.426 ( -3.043 -5.683 1.884) 6.716 53.091 ( -0.757 0.135 0.076) 0.772 55.057 ( -3.369 -5.857 -0.133) 6.758 55.815 ( 3.802 7.449 -1.205) 8.450 56.373 ( 0.977 -0.161 0.179) 1.006======================= Grid point 587 (123/147) =======================q-point: ( 0.31 0.23 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 676Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.002 ( -0.508 6.318 1.219) 6.455 3.119 ( 4.404 4.433 -2.100) 6.593 3.721 ( 1.183 3.784 3.049) 5.001 5.208 ( 2.025 7.664 5.383) 9.582 5.938 ( 7.682 15.111 -1.378) 17.008 6.361 ( 5.645 1.463 0.204) 5.836 6.709 ( -8.657 16.470 -0.270) 18.608 6.835 ( -4.802 -14.096 1.046) 14.928 7.699 ( 11.702 -2.990 -0.364) 12.083 8.563 ( 5.783 9.284 0.090) 10.939 8.963 ( -8.456 2.129 -0.053) 8.720 9.570 ( 1.468 -7.215 0.913) 7.419 16.083 ( 0.428 25.502 0.781) 25.518 17.712 ( 16.300 12.464 -1.823) 20.600 18.781 ( -0.289 -8.344 -1.940) 8.571 19.916 ( 2.283 -2.430 3.284) 4.680 21.819 ( -8.665 8.545 0.214) 12.172 22.500 ( 4.281 -13.945 -2.416) 14.786 23.178 ( 0.928 1.398 0.828) 1.871 24.659 ( 2.972 9.131 -7.785) 12.362 25.113 ( 0.288 4.770 -0.045) 4.779 25.483 ( -1.220 -2.765 0.574) 3.077 25.933 ( 0.778 2.958 0.061) 3.059 26.330 ( -8.476 -4.090 -0.647) 9.434 27.014 ( 1.567 -11.262 0.045) 11.371 28.506 ( 0.123 1.183 -1.416) 1.850 28.706 ( -7.246 -0.539 -0.512) 7.284 28.856 ( 3.267 -7.701 -0.975) 8.422 31.976 ( -3.793 -3.297 0.762) 5.083 32.025 ( -0.950 -5.905 1.195) 6.099 51.812 ( 0.825 1.353 1.605) 2.255 52.310 ( -9.993 7.012 1.516) 12.302 53.103 ( 9.584 -14.352 0.845) 17.278 54.960 ( -2.071 -3.550 -0.183) 4.114 55.932 ( -1.148 10.732 -0.842) 10.826 56.375 ( 1.633 -3.600 -0.527) 3.988======================= Grid point 588 (124/147) =======================q-point: ( 0.38 0.23 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 676Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.022 ( -3.788 5.577 0.787) 6.788 3.197 ( 1.686 -0.571 -1.480) 2.315 3.756 ( -0.791 1.987 2.677) 3.426 5.254 ( -4.546 6.049 5.708) 9.478 6.080 ( -2.361 4.132 -1.073) 4.878 6.461 ( 2.627 -2.173 0.005) 3.410 6.669 ( 3.854 -9.695 0.941) 10.475 6.721 ( -14.912 25.693 -0.148) 29.708 7.798 ( 7.566 -13.355 0.256) 15.351 8.695 ( -1.578 5.023 0.008) 5.266 8.851 ( -4.734 5.440 0.577) 7.234 9.555 ( 4.841 -6.865 0.333) 8.407 16.209 ( -12.831 21.847 0.873) 25.351 17.991 ( -0.737 3.135 -1.467) 3.539 18.669 ( 7.109 -14.161 -2.119) 15.986 19.923 ( 2.566 -4.351 3.655) 6.235 21.784 ( -7.989 14.135 0.251) 16.238 22.466 ( 7.786 -14.349 -2.216) 16.475 23.194 ( -0.090 0.298 0.775) 0.835 24.736 ( -2.698 5.152 -7.789) 9.720 25.150 ( -4.115 6.529 0.113) 7.719 25.450 ( 1.988 -3.010 0.400) 3.630 25.978 ( -2.589 4.746 -0.028) 5.406 26.203 ( -0.528 0.318 -0.390) 0.729 26.974 ( 6.510 -11.017 -0.068) 12.797 28.528 ( -2.361 3.234 -1.709) 4.354 28.624 ( -0.333 1.591 -0.388) 1.671 28.846 ( 4.159 -7.445 -0.814) 8.566 31.926 ( 0.374 -0.463 0.700) 0.919 31.989 ( 2.087 -3.478 0.401) 4.076 51.830 ( -0.220 0.388 1.812) 1.866 52.253 ( -8.159 14.166 1.254) 16.396 53.118 ( 11.914 -20.403 1.025) 23.649 54.923 ( 0.634 -1.088 -0.218) 1.278 55.980 ( -6.010 10.842 -0.775) 12.420 56.365 ( 2.497 -5.002 -0.602) 5.623======================= Grid point 590 (125/147) =======================q-point: (-0.54 0.23 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 676Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.986 ( -5.693 3.808 1.177) 6.950 3.154 ( -4.312 -3.569 -2.883) 6.296 3.729 ( -3.364 0.158 2.748) 4.347 5.186 ( -8.645 3.949 6.287) 11.395 5.934 ( -17.741 1.584 -1.298) 17.858 6.373 ( -4.261 -5.305 -0.288) 6.810 6.713 ( -9.743 15.543 -0.315) 18.346 6.808 ( 13.951 -0.860 2.121) 14.137 7.698 ( -3.056 -11.560 -0.343) 11.962 8.574 ( -10.865 -1.372 -0.401) 10.959 8.945 ( 2.128 9.698 0.712) 9.954 9.590 ( 6.422 -6.323 0.102) 9.013 16.078 ( -22.504 12.709 0.971) 25.863 17.727 ( -18.673 -9.076 -2.453) 20.906 18.767 ( 7.150 -2.705 -1.303) 7.755 19.917 ( 1.060 -3.313 3.278) 4.780 21.821 ( -3.430 11.912 -0.333) 12.400 22.489 ( 9.530 -9.971 -1.562) 13.881 23.180 ( -1.566 -0.262 0.714) 1.741 24.665 ( -9.062 1.461 -8.024) 12.192 25.107 ( -4.417 2.593 0.267) 5.129 25.487 ( 3.133 -0.663 0.352) 3.221 25.934 ( -2.991 0.707 0.013) 3.074 26.324 ( 7.601 5.715 -0.396) 9.518 27.017 ( 9.148 -7.228 -0.117) 11.659 28.501 ( -1.145 0.920 -1.218) 1.908 28.714 ( 4.119 5.795 -0.808) 7.156 28.852 ( 4.998 -6.805 -0.831) 8.484 31.981 ( 5.283 1.381 0.736) 5.509 32.025 ( 5.366 -2.288 1.021) 5.922 51.812 ( -1.553 -0.060 1.595) 2.227 52.310 ( -1.113 12.112 1.521) 12.258 53.107 ( 7.952 -15.786 0.678) 17.689 54.960 ( 4.108 0.011 -0.185) 4.112 55.937 ( -8.551 6.046 -1.072) 10.528 56.366 ( 1.864 -2.564 -0.146) 3.173======================= Grid point 601 (126/147) =======================q-point: ( 0.31 0.31 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 676Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.102 ( 2.619 3.432 0.694) 4.373 3.165 ( -0.715 0.213 -0.884) 1.157 3.775 ( 0.705 1.401 2.720) 3.140 5.323 ( 2.259 3.354 6.265) 7.456 6.136 ( 2.789 4.991 -0.933) 5.793 6.407 ( 1.752 4.027 -0.476) 4.417 6.577 ( -5.335 -10.520 0.465) 11.805 7.100 ( 10.635 18.450 0.178) 21.296 7.553 ( -6.141 -10.758 0.158) 12.388 8.746 ( 4.488 8.578 0.297) 9.686 8.921 ( -2.557 -5.454 0.385) 6.036 9.471 ( -1.695 -2.410 0.575) 3.002 16.458 ( 5.999 10.240 1.428) 11.953 18.025 ( 9.731 17.767 -2.070) 20.363 18.494 ( -9.821 -17.882 -1.804) 20.481 19.877 ( -0.677 -1.148 3.999) 4.216 21.993 ( 4.408 8.039 -1.086) 9.233 22.257 ( -5.298 -9.720 -2.026) 11.254 23.197 ( 0.241 0.459 0.929) 1.064 24.788 ( 1.925 3.471 -7.149) 8.177 25.238 ( 4.004 6.636 0.117) 7.751 25.401 ( -3.058 -5.054 0.279) 5.914 26.036 ( 3.790 6.714 -0.127) 7.710 26.216 ( -3.865 -6.967 -0.367) 7.976 26.842 ( -2.842 -4.821 -0.028) 5.597 28.566 ( 2.802 4.470 -1.446) 5.471 28.700 ( -4.737 -0.803 -0.396) 4.821 28.706 ( 0.524 -6.133 -1.004) 6.236 31.930 ( -0.747 -1.290 0.262) 1.514 31.945 ( -1.196 -1.989 0.512) 2.377 51.834 ( 0.362 0.628 1.864) 2.000 52.485 ( 5.408 9.350 1.279) 10.876 52.822 ( -7.122 -12.251 1.038) 14.209 54.912 ( -0.688 -1.188 -0.228) 1.392 56.118 ( 4.081 7.371 -0.823) 8.465 56.287 ( -2.562 -4.801 -0.599) 5.475======================= Grid point 724 (127/147) =======================q-point: ( 0.00 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 77Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.496 ( 0.000 -0.000 -0.000) 0.000 2.496 ( 0.000 0.000 -0.000) 0.000 2.621 ( 0.000 0.000 0.000) 0.000 2.621 ( 0.000 0.000 0.000) 0.000 3.816 ( 0.000 0.000 -0.000) 0.000 4.357 ( 0.000 0.000 0.000) 0.000 7.504 ( 0.000 0.000 0.000) 0.000 7.504 ( 0.000 0.000 0.000) 0.000 7.571 ( 0.000 -0.000 0.000) 0.000 7.571 ( -0.000 0.000 0.000) 0.000 7.779 ( 0.000 -0.000 0.000) 0.000 9.803 ( 0.000 0.000 0.000) 0.000 12.659 ( 0.000 -0.000 0.000) 0.000 16.168 ( 0.000 0.000 0.000) 0.000 16.168 ( -0.000 0.000 0.000) 0.000 19.049 ( 0.000 0.000 0.000) 0.000 19.049 ( 0.000 0.000 0.000) 0.000 22.772 ( 0.000 0.000 0.000) 0.000 23.986 ( 0.000 -0.000 0.000) 0.000 23.986 ( -0.000 0.000 0.000) 0.000 25.334 ( 0.000 0.000 0.000) 0.000 25.334 ( 0.000 -0.000 0.000) 0.000 26.943 ( 0.000 -0.000 0.000) 0.000 26.943 ( 0.000 -0.000 0.000) 0.000 27.982 ( -0.000 0.000 0.000) 0.000 29.178 ( 0.000 0.000 0.000) 0.000 29.178 ( 0.000 0.000 0.000) 0.000 29.356 ( 0.000 -0.000 0.000) 0.000 33.077 ( 0.000 0.000 0.000) 0.000 34.704 ( 0.000 -0.000 0.000) 0.000 51.958 ( 0.000 -0.000 0.000) 0.000 51.958 ( -0.000 0.000 0.000) 0.000 54.623 ( 0.000 -0.000 0.000) 0.000 55.237 ( 0.000 -0.000 0.000) 0.000 55.237 ( 0.000 -0.000 0.000) 0.000 55.786 ( 0.000 0.000 0.000) 0.000======================= Grid point 726 (128/147) =======================q-point: ( 0.08 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 371Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.434 ( -3.940 -2.275 -4.434) 6.353 2.505 ( 1.368 0.790 8.618) 8.762 2.831 ( 16.717 9.652 -9.091) 21.337 2.965 ( 25.200 14.549 5.379) 29.592 3.920 ( 8.430 4.867 -0.635) 9.755 4.261 ( -4.651 -2.685 0.455) 5.390 7.275 ( -11.291 -6.519 -0.020) 13.038 7.436 ( -1.039 -0.600 -1.586) 1.989 7.773 ( 0.252 0.145 -0.057) 0.296 7.780 ( 9.629 5.559 0.046) 11.119 7.985 ( 26.632 15.376 2.230) 30.833 9.527 ( -20.504 -11.838 -0.733) 23.687 12.859 ( 16.803 9.701 -0.010) 19.402 16.222 ( 4.677 2.700 -0.239) 5.406 16.353 ( 15.032 8.679 0.196) 17.358 19.113 ( 5.464 3.155 1.979) 6.613 19.523 ( 37.235 21.497 -2.194) 43.051 22.795 ( 1.941 1.120 0.011) 2.241 23.898 ( -7.257 -4.190 1.501) 8.513 23.935 ( -4.354 -2.514 -1.382) 5.214 25.330 ( -0.331 -0.191 -0.094) 0.394 25.348 ( 1.252 0.723 0.100) 1.449 26.882 ( -5.287 -3.053 0.030) 6.105 26.925 ( -1.683 -0.972 -0.040) 1.943 27.932 ( -4.230 -2.442 0.021) 4.885 29.146 ( -2.721 -1.571 0.161) 3.147 29.157 ( -1.901 -1.098 -0.202) 2.204 29.324 ( -2.632 -1.519 0.033) 3.039 33.016 ( -5.166 -2.983 0.028) 5.966 34.430 ( -22.136 -12.780 0.048) 25.560 51.947 ( -0.904 -0.522 0.187) 1.060 52.081 ( 9.968 5.755 -0.195) 11.511 54.217 ( -25.257 -14.582 0.537) 29.169 55.244 ( 0.552 0.319 -0.183) 0.663 55.562 ( 18.429 10.640 -0.318) 21.282 55.761 ( -2.028 -1.171 -0.004) 2.342======================= Grid point 728 (129/147) =======================q-point: ( 0.15 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 371Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.372 ( -0.299 -0.173 -1.549) 1.587 2.556 ( 2.792 1.612 5.969) 6.784 3.333 ( 25.556 14.755 -6.916) 30.309 3.454 ( 10.321 5.959 6.305) 13.483 4.167 ( 12.185 7.035 -5.943) 15.274 4.428 ( 24.362 14.065 3.279) 28.321 7.018 ( -10.838 -6.257 0.155) 12.516 7.416 ( -1.335 -0.771 -3.350) 3.688 7.786 ( 1.221 0.705 0.335) 1.449 7.982 ( 7.717 4.456 -0.028) 8.911 8.584 ( 15.344 8.859 9.961) 20.325 9.104 ( -6.401 -3.695 -7.373) 10.440 13.390 ( 27.778 16.038 -0.081) 32.076 16.385 ( 9.584 5.534 -0.211) 11.069 16.815 ( 24.185 13.963 0.074) 27.926 19.295 ( 10.073 5.816 3.293) 12.089 20.517 ( 43.337 25.020 -4.942) 50.284 22.858 ( 3.468 2.002 0.085) 4.005 23.691 ( -9.172 -5.296 3.369) 11.114 23.792 ( -7.801 -4.504 -2.411) 9.324 25.316 ( -0.908 -0.524 -0.251) 1.078 25.390 ( 2.279 1.316 0.276) 2.646 26.705 ( -9.835 -5.678 0.054) 11.357 26.859 ( -4.260 -2.460 -0.138) 4.921 27.800 ( -6.726 -3.883 0.144) 7.767 29.056 ( -4.926 -2.844 0.300) 5.696 29.078 ( -5.204 -3.004 -0.531) 6.032 29.252 ( -3.080 -1.778 0.179) 3.561 32.849 ( -8.985 -5.188 0.222) 10.378 33.794 ( -30.381 -17.540 0.247) 35.081 51.918 ( -1.587 -0.916 0.325) 1.861 52.365 ( 13.001 7.506 -0.643) 15.026 53.640 ( -22.891 -13.216 1.961) 26.504 55.262 ( 0.965 0.557 -0.320) 1.159 55.680 ( -4.270 -2.465 0.126) 4.932 55.951 ( 14.032 8.102 -1.332) 16.258======================= Grid point 730 (130/147) =======================q-point: ( 0.23 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 371Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.452 ( 7.302 4.216 0.823) 8.472 2.626 ( 3.179 1.835 3.996) 5.426 3.533 ( 0.908 0.524 5.378) 5.479 3.959 ( 27.785 16.042 -5.328) 32.523 4.459 ( 12.448 7.187 -3.038) 14.691 5.203 ( 36.401 21.016 -0.523) 42.035 6.777 ( -9.972 -5.757 0.458) 11.523 7.369 ( -2.440 -1.409 -3.507) 4.499 7.840 ( 3.694 2.133 0.955) 4.371 8.134 ( 5.381 3.107 -0.090) 6.214 8.469 ( -11.353 -6.555 4.185) 13.761 9.431 ( 20.093 11.601 -1.846) 23.275 14.066 ( 29.024 16.757 -0.255) 33.515 16.674 ( 15.699 9.064 0.190) 18.128 17.436 ( 28.880 16.674 -0.257) 33.349 19.563 ( 12.696 7.330 3.546) 15.082 21.313 ( 22.236 12.838 -7.548) 26.762 22.949 ( 4.241 2.448 0.264) 4.904 23.571 ( 1.067 0.616 5.235) 5.378 23.588 ( -9.576 -5.529 -2.871) 11.424 25.283 ( -2.200 -1.270 -0.453) 2.580 25.449 ( 2.723 1.572 0.477) 3.181 26.442 ( -12.468 -7.199 0.072) 14.397 26.718 ( -8.058 -4.652 -0.324) 9.310 27.645 ( -6.191 -3.575 0.344) 7.157 28.918 ( -8.299 -4.792 -0.716) 9.610 28.926 ( -6.137 -3.543 0.388) 7.097 29.192 ( -2.187 -1.263 0.185) 2.532 32.617 ( -10.809 -6.240 0.708) 12.501 33.121 ( -26.525 -15.314 0.319) 30.630 51.877 ( -1.892 -1.092 0.382) 2.218 52.548 ( -1.508 -0.871 -1.704) 2.437 53.289 ( -3.237 -1.869 3.632) 5.212 55.286 ( 1.144 0.660 -0.379) 1.374 55.556 ( -6.430 -3.712 0.202) 7.428 56.215 ( 8.985 5.187 -1.933) 10.553======================= Grid point 732 (131/147) =======================q-point: ( 0.31 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 371Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.686 ( 12.157 7.019 2.806) 14.315 2.697 ( 2.784 1.607 2.628) 4.152 3.569 ( 2.332 1.347 3.638) 4.527 4.586 ( 25.955 14.985 -4.238) 30.268 4.716 ( 9.388 5.420 -2.770) 11.189 5.945 ( 26.050 15.040 -1.579) 30.122 6.553 ( -9.640 -5.566 0.872) 11.166 7.319 ( -1.727 -0.997 -3.256) 3.819 7.979 ( 8.685 5.014 1.857) 10.198 8.231 ( 3.143 1.815 -0.106) 3.631 8.270 ( -5.490 -3.169 0.384) 6.350 9.790 ( 10.346 5.973 1.283) 12.015 14.658 ( 21.138 12.204 -0.423) 24.412 17.112 ( 21.759 12.563 0.713) 25.135 18.108 ( 28.277 16.326 -0.629) 32.658 19.858 ( 12.335 7.121 2.793) 14.514 21.512 ( -2.464 -1.422 -6.565) 7.154 23.047 ( 4.036 2.330 0.619) 4.701 23.367 ( -9.172 -5.295 -2.810) 10.957 23.769 ( 14.131 8.159 4.289) 16.872 25.204 ( -4.792 -2.767 -0.596) 5.566 25.507 ( 2.034 1.174 0.586) 2.421 26.158 ( -11.401 -6.582 0.074) 13.165 26.497 ( -10.462 -6.040 -0.490) 12.091 27.529 ( -3.775 -2.180 0.441) 4.382 28.715 ( -8.918 -5.149 -0.697) 10.321 28.783 ( -5.996 -3.462 0.394) 6.935 29.149 ( -1.552 -0.896 0.074) 1.794 32.364 ( -10.863 -6.272 1.383) 12.619 32.607 ( -17.654 -10.193 -0.055) 20.385 51.834 ( -1.761 -1.017 0.349) 2.063 52.314 ( -14.026 -8.098 -0.663) 16.210 53.468 ( 13.964 8.062 2.541) 16.323 55.312 ( 1.058 0.611 -0.349) 1.271 55.385 ( -8.325 -4.807 0.205) 9.615 56.376 ( 5.180 2.990 -1.872) 6.267======================= Grid point 734 (132/147) =======================q-point: ( 0.38 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 371Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.751 ( 1.866 1.077 1.517) 2.635 2.965 ( 10.918 6.303 3.493) 13.082 3.633 ( 2.966 1.712 1.802) 3.870 4.878 ( 4.590 2.650 -2.996) 6.088 5.141 ( 21.799 12.586 -3.324) 25.390 6.323 ( -10.425 -6.019 1.333) 12.111 6.379 ( 12.196 7.041 -0.647) 14.097 7.286 ( -1.231 -0.711 -2.745) 3.092 8.101 ( -1.322 -0.763 0.582) 1.634 8.283 ( 1.447 0.835 -0.079) 1.673 8.341 ( 13.361 7.714 0.026) 15.428 9.914 ( 0.991 0.572 2.111) 2.401 15.026 ( 11.028 6.367 -0.371) 12.740 17.624 ( 20.748 11.979 0.856) 23.973 18.692 ( 21.224 12.253 -0.800) 24.520 20.108 ( 8.807 5.085 1.527) 10.283 21.356 ( -8.290 -4.786 -3.565) 10.215 23.125 ( 2.219 1.281 2.310) 3.450 23.184 ( -5.898 -3.405 -3.624) 7.715 24.099 ( 12.441 7.183 2.157) 14.527 25.063 ( -6.937 -4.005 -0.527) 8.027 25.532 ( 0.029 0.017 0.483) 0.484 25.946 ( -6.590 -3.805 0.035) 7.610 26.275 ( -7.847 -4.531 -0.470) 9.073 27.467 ( -1.761 -1.017 0.347) 2.062 28.527 ( -6.923 -3.997 -0.518) 8.010 28.660 ( -4.394 -2.537 0.297) 5.083 29.120 ( -0.938 -0.541 -0.009) 1.083 32.132 ( -8.554 -4.938 1.251) 9.956 32.305 ( -8.911 -5.145 -0.139) 10.291 51.799 ( -1.237 -0.714 0.242) 1.449 52.021 ( -10.413 -6.012 -0.094) 12.025 53.808 ( 14.212 8.206 1.443) 16.474 55.180 ( -9.096 -5.251 0.106) 10.503 55.333 ( 0.740 0.427 -0.244) 0.888 56.464 ( 2.602 1.502 -1.300) 3.273======================= Grid point 736 (133/147) =======================q-point: ( 0.46 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 371Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.780 ( 0.654 0.377 0.498) 0.904 3.148 ( 4.276 2.469 1.685) 5.217 3.689 ( 1.502 0.867 0.472) 1.798 4.938 ( 1.000 0.577 -1.471) 1.869 5.568 ( 13.772 7.951 -2.054) 16.035 6.077 ( -9.693 -5.596 1.395) 11.279 6.553 ( 3.495 2.018 0.090) 4.037 7.263 ( -0.635 -0.367 -1.149) 1.363 8.062 ( -1.084 -0.626 -0.062) 1.253 8.303 ( 0.388 0.224 -0.028) 0.449 8.633 ( 8.387 4.842 -0.123) 9.685 9.886 ( -1.921 -1.109 1.127) 2.488 15.187 ( 3.266 1.886 -0.139) 3.774 17.982 ( 8.693 5.019 0.393) 10.046 19.039 ( 7.977 4.606 -0.408) 9.220 20.248 ( 3.132 1.808 0.419) 3.641 21.208 ( -3.603 -2.080 -1.042) 4.289 23.072 ( -2.290 -1.322 0.036) 2.645 23.178 ( 0.975 0.563 -0.437) 1.207 24.297 ( 4.357 2.515 0.647) 5.072 24.929 ( -3.583 -2.069 -0.212) 4.143 25.518 ( -0.719 -0.415 0.168) 0.847 25.851 ( -1.877 -1.084 0.001) 2.168 26.157 ( -2.388 -1.379 -0.187) 2.764 27.442 ( -0.500 -0.289 0.129) 0.591 28.413 ( -2.634 -1.521 -0.194) 3.048 28.589 ( -1.617 -0.934 0.111) 1.871 29.106 ( -0.310 -0.179 -0.016) 0.359 31.995 ( -3.090 -1.784 0.402) 3.590 32.174 ( -2.764 -1.596 0.029) 3.192 51.779 ( -0.444 -0.256 0.086) 0.520 51.855 ( -3.689 -2.130 0.007) 4.259 54.071 ( 7.086 4.091 0.512) 8.199 55.000 ( -5.217 -3.012 -0.004) 6.024 55.345 ( 0.265 0.153 -0.087) 0.318 56.502 ( 0.783 0.452 -0.459) 1.014======================= Grid point 752 (134/147) =======================q-point: ( 0.08 0.08 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 345Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.373 ( -1.288 -2.231 -0.000) 2.576 2.549 ( 1.704 2.951 -0.000) 3.408 3.178 ( 14.050 24.336 0.000) 28.100 3.371 ( 10.283 17.810 0.000) 20.565 4.096 ( 6.884 11.923 -0.000) 13.767 4.303 ( 7.812 13.531 0.000) 15.624 7.118 ( -5.419 -9.387 0.000) 10.839 7.383 ( -1.243 -2.153 0.000) 2.486 7.780 ( 0.491 0.851 0.000) 0.983 7.917 ( 2.819 4.883 0.000) 5.638 8.488 ( 17.747 30.739 0.000) 35.494 9.169 ( -11.253 -19.491 -0.000) 22.506 13.226 ( 15.010 25.998 0.000) 30.020 16.322 ( 4.266 7.389 0.000) 8.532 16.677 ( 13.133 22.748 0.000) 26.267 19.232 ( 4.948 8.570 0.000) 9.896 20.249 ( 26.278 45.514 0.000) 52.555 22.838 ( 1.801 3.119 0.000) 3.602 23.726 ( -6.984 -12.096 0.000) 13.968 23.860 ( -2.731 -4.730 0.000) 5.462 25.322 ( -0.389 -0.674 -0.000) 0.778 25.376 ( 1.150 1.991 0.000) 2.299 26.756 ( -5.380 -9.319 0.000) 10.760 26.891 ( -1.511 -2.617 0.000) 3.022 27.839 ( -3.781 -6.549 0.000) 7.562 29.074 ( -3.123 -5.409 0.000) 6.246 29.122 ( -1.532 -2.654 0.000) 3.064 29.268 ( -2.167 -3.753 0.000) 4.333 32.902 ( -4.703 -8.146 0.000) 9.406 33.980 ( -17.133 -29.676 0.000) 34.267 51.927 ( -0.878 -1.521 0.000) 1.756 52.288 ( 7.981 13.823 0.000) 15.961 53.780 ( -14.744 -25.537 -0.000) 29.488 55.259 ( 0.640 1.108 0.000) 1.280 55.714 ( -1.898 -3.287 0.000) 3.796 55.851 ( 8.798 15.238 0.000) 17.595======================= Grid point 754 (135/147) =======================q-point: ( 0.15 0.08 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 677Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.390 ( 3.640 2.890 0.141) 4.650 2.619 ( 2.061 4.296 2.307) 5.294 3.530 ( 0.988 1.751 3.269) 3.838 3.746 ( 21.027 25.836 -3.147) 33.460 4.365 ( 9.565 12.178 -2.131) 15.631 4.884 ( 27.719 29.778 0.305) 40.684 6.912 ( -9.667 -4.692 0.361) 10.752 7.357 ( 0.819 -3.455 -2.235) 4.196 7.816 ( 1.367 2.415 0.333) 2.795 7.940 ( 3.462 -9.502 0.678) 10.136 8.788 ( -14.763 9.169 4.939) 18.067 9.164 ( 23.035 11.083 -4.122) 25.893 13.842 ( 22.775 28.273 -0.101) 36.305 16.523 ( 10.191 8.254 0.012) 13.114 17.223 ( 20.669 25.819 -0.071) 33.074 19.446 ( 9.216 8.915 1.879) 12.959 21.121 ( 24.353 31.523 -3.673) 40.003 22.915 ( 3.075 3.543 0.101) 4.693 23.464 ( -5.689 -15.451 1.175) 16.507 23.769 ( -4.706 1.673 -0.085) 4.996 25.299 ( -1.256 -1.349 -0.212) 1.856 25.425 ( 2.039 2.159 0.228) 2.979 26.523 ( -8.678 -11.875 0.026) 14.708 26.809 ( -5.185 -2.685 -0.131) 5.840 27.687 ( -5.202 -7.350 0.152) 9.006 28.938 ( -4.818 -7.538 -0.049) 8.947 29.039 ( -5.589 -2.024 -0.155) 5.946 29.192 ( -1.522 -4.229 0.146) 4.497 32.704 ( -7.851 -9.052 0.270) 11.985 33.347 ( -21.786 -25.293 0.182) 33.382 51.889 ( -1.346 -1.866 0.194) 2.308 52.570 ( 6.173 12.435 -0.893) 13.912 53.300 ( -11.075 -19.506 1.845) 22.507 55.281 ( 0.447 0.898 -0.179) 1.019 55.631 ( -4.329 -2.167 0.146) 4.843 56.122 ( 8.437 8.218 -1.018) 11.822======================= Grid point 756 (136/147) =======================q-point: ( 0.23 0.08 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 677Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.557 ( 9.276 6.554 1.578) 11.467 2.703 ( 2.076 5.506 2.220) 6.289 3.557 ( 1.108 1.969 3.325) 4.020 4.377 ( 21.417 24.924 -3.260) 33.023 4.647 ( 8.729 11.421 -2.127) 14.531 5.653 ( 27.320 22.337 -1.159) 35.309 6.698 ( -10.960 -2.325 0.726) 11.227 7.333 ( -0.879 -1.430 -3.058) 3.488 7.809 ( 5.356 -13.416 1.185) 14.494 7.981 ( 8.300 -0.042 0.837) 8.342 8.661 ( -13.826 15.207 0.642) 20.562 9.612 ( 16.281 6.191 0.254) 17.421 14.504 ( 19.788 26.496 -0.299) 33.071 16.854 ( 18.439 8.911 0.419) 20.483 17.867 ( 23.121 25.014 -0.370) 34.065 19.711 ( 11.546 6.989 2.223) 13.679 21.582 ( 2.171 12.796 -5.629) 14.147 23.009 ( 3.529 3.347 0.353) 4.877 23.260 ( 1.162 -17.977 0.042) 18.015 23.798 ( 1.099 13.378 1.780) 13.541 25.243 ( -3.033 -2.820 -0.430) 4.163 25.483 ( 2.175 1.746 0.435) 2.823 26.244 ( -9.159 -11.339 0.036) 14.577 26.648 ( -10.343 -2.650 -0.334) 10.683 27.536 ( -3.137 -7.446 0.345) 8.087 28.766 ( -5.777 -7.907 -0.271) 9.796 28.897 ( -8.253 -1.480 0.014) 8.384 29.136 ( -0.120 -4.318 0.108) 4.321 32.465 ( -9.150 -8.665 0.852) 12.631 32.780 ( -17.796 -17.784 0.092) 25.159 51.847 ( -1.367 -1.811 0.259) 2.284 52.541 ( -16.561 -0.067 -1.257) 16.608 53.219 ( 15.610 -4.791 2.687) 16.548 55.277 ( -0.515 -2.815 -0.213) 2.870 55.535 ( -6.433 2.708 0.242) 6.984 56.306 ( 6.171 3.668 -1.557) 7.346======================= Grid point 758 (137/147) =======================q-point: ( 0.31 0.08 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 677Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.744 ( 2.900 4.318 1.191) 5.336 2.856 ( 9.275 8.403 3.229) 12.926 3.612 ( 2.166 2.954 2.249) 4.298 4.850 ( 6.076 9.126 -2.360) 11.215 4.988 ( 17.080 23.328 -3.202) 29.088 6.203 ( 17.059 9.996 -1.159) 19.806 6.481 ( -12.096 -1.646 1.136) 12.261 7.282 ( -2.251 -3.951 -3.094) 5.500 7.840 ( 13.510 -12.398 1.001) 18.364 8.192 ( 11.350 7.901 0.824) 13.853 8.579 ( -13.688 14.993 -0.479) 20.307 9.837 ( 7.209 -1.338 1.746) 7.537 15.003 ( 9.154 22.211 -0.408) 24.027 17.328 ( 24.468 9.211 0.833) 26.158 18.473 ( 20.354 18.224 -0.718) 27.330 19.962 ( 11.145 2.962 1.515) 11.631 21.543 ( -12.143 4.312 -3.925) 13.470 23.089 ( 2.597 -2.586 2.101) 4.224 23.124 ( 2.208 -11.012 -2.958) 11.614 24.046 ( 7.607 15.899 2.041) 17.743 25.133 ( -5.461 -4.024 -0.523) 6.804 25.525 ( 1.004 0.550 0.496) 1.248 26.013 ( -6.520 -6.600 0.030) 9.277 26.418 ( -12.209 -2.448 -0.458) 12.460 27.437 ( 0.087 -7.120 0.382) 7.131 28.593 ( -5.899 -5.803 -0.457) 8.287 28.743 ( -7.403 -1.404 0.244) 7.539 29.099 ( 0.663 -4.067 0.005) 4.120 32.225 ( -8.874 -7.233 1.303) 11.523 32.394 ( -10.280 -10.669 -0.231) 14.817 51.811 ( -0.993 -1.025 0.218) 1.443 52.218 ( -16.623 -1.781 -0.248) 16.720 53.520 ( 20.271 -2.881 1.545) 20.533 55.189 ( -3.322 -7.658 -0.067) 8.348 55.483 ( -6.572 9.329 0.130) 11.412 56.416 ( 4.079 0.951 -1.423) 4.423======================= Grid point 760 (138/147) =======================q-point: ( 0.38 0.08 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 677Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.802 ( -0.308 4.087 0.571) 4.138 3.085 ( 7.260 5.203 2.716) 9.336 3.678 ( 1.753 2.670 0.976) 3.340 4.972 ( -0.084 6.773 -2.229) 7.131 5.485 ( 13.477 21.238 -2.478) 25.275 6.237 ( -13.818 -2.464 1.419) 14.107 6.475 ( 8.269 2.621 0.048) 8.675 7.192 ( 0.542 -9.547 -2.124) 9.795 7.975 ( 9.310 -3.133 0.329) 9.829 8.480 ( -5.741 10.194 0.801) 11.727 8.502 ( 6.542 8.125 -1.111) 10.490 9.863 ( 1.031 -5.391 1.704) 5.747 15.271 ( -0.834 17.858 -0.270) 17.879 17.807 ( 18.674 6.787 0.764) 19.884 18.891 ( 13.134 5.761 -0.767) 14.362 20.138 ( 8.160 -1.927 0.609) 8.407 21.368 ( -11.607 5.456 -1.650) 12.931 23.003 ( 2.421 -12.059 -0.377) 12.305 23.164 ( 1.731 1.396 -0.240) 2.236 24.293 ( 4.090 10.895 1.051) 11.685 25.000 ( -5.705 -1.387 -0.378) 5.883 25.525 ( -0.627 -0.661 0.319) 0.965 25.890 ( -3.438 -1.279 0.020) 3.668 26.220 ( -7.231 -1.516 -0.349) 7.396 27.390 ( 2.251 -6.691 0.237) 7.063 28.461 ( -4.390 -2.059 -0.364) 4.863 28.627 ( -4.191 -1.070 0.239) 4.332 29.077 ( 1.314 -3.709 -0.033) 3.935 32.038 ( -5.326 -4.255 0.733) 6.856 32.194 ( -3.878 -5.764 -0.031) 6.947 51.798 ( -0.203 1.047 0.110) 1.072 51.968 ( -11.165 0.338 0.016) 11.170 53.808 ( 18.087 -8.105 0.752) 19.834 55.041 ( -4.575 -5.955 0.000) 7.510 55.477 ( -6.358 11.210 0.032) 12.888 56.473 ( 2.407 -0.641 -0.819) 2.622======================= Grid point 762 (139/147) =======================q-point: ( 0.46 0.08 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 345Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.820 ( -1.980 3.430 0.000) 3.961 3.177 ( -0.206 0.357 0.000) 0.412 3.710 ( -0.661 1.145 0.000) 1.323 5.001 ( -3.202 5.546 0.000) 6.404 5.807 ( -8.222 14.240 0.000) 16.443 6.008 ( 0.002 -0.003 0.000) 0.003 6.560 ( 0.724 -1.254 0.000) 1.448 7.143 ( 5.894 -10.210 0.000) 11.789 8.051 ( 0.515 -0.892 0.000) 1.030 8.429 ( -6.199 10.737 0.000) 12.398 8.663 ( 0.985 -1.706 0.000) 1.970 9.830 ( 2.463 -4.266 0.000) 4.926 15.350 ( -8.116 14.058 0.000) 16.233 18.018 ( 0.859 -1.488 0.000) 1.718 19.032 ( 3.018 -5.227 0.000) 6.036 20.200 ( 3.398 -5.886 0.000) 6.797 21.290 ( -5.440 9.423 0.000) 10.881 22.962 ( 5.251 -9.095 0.000) 10.501 23.187 ( -0.152 0.264 0.000) 0.304 24.384 ( -3.289 5.697 0.000) 6.578 24.939 ( -1.800 3.118 0.000) 3.601 25.511 ( 0.150 -0.260 0.000) 0.300 25.856 ( -0.876 1.518 0.000) 1.752 26.151 ( -0.436 0.756 0.000) 0.872 27.376 ( 3.559 -6.164 0.000) 7.117 28.411 ( -0.771 1.336 0.000) 1.543 28.584 ( -0.252 0.437 0.000) 0.504 29.070 ( 1.932 -3.347 0.000) 3.865 31.970 ( 0.381 -0.659 0.000) 0.761 32.133 ( 1.372 -2.376 0.000) 2.744 51.835 ( -0.100 0.174 0.000) 0.201 51.838 ( -3.475 6.018 0.000) 6.950 53.935 ( 9.243 -16.009 0.000) 18.486 54.961 ( 0.375 -0.649 0.000) 0.750 55.479 ( -6.568 11.376 0.000) 13.136 56.490 ( 0.951 -1.647 0.000) 1.902======================= Grid point 782 (140/147) =======================q-point: ( 0.15 0.15 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 345Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.508 ( 5.143 8.907 0.000) 10.285 2.716 ( 2.985 5.170 -0.000) 5.970 3.560 ( 1.072 1.857 -0.000) 2.144 4.321 ( 17.481 30.278 0.000) 34.962 4.631 ( 8.049 13.941 0.000) 16.097 5.515 ( 17.820 30.866 0.000) 35.641 6.810 ( -3.327 -5.762 0.000) 6.654 7.320 ( 0.148 0.256 0.000) 0.296 7.668 ( -8.121 -14.066 0.000) 16.242 7.919 ( 4.045 7.007 0.000) 8.091 8.910 ( 1.879 3.255 0.000) 3.758 9.451 ( 8.360 14.481 0.000) 16.721 14.471 ( 19.059 33.010 0.000) 38.117 16.726 ( 7.228 12.520 0.000) 14.456 17.795 ( 17.340 30.034 0.000) 34.680 19.639 ( 5.818 10.077 0.000) 11.636 21.639 ( 10.169 17.613 0.000) 20.338 22.994 ( 2.410 4.174 -0.000) 4.820 23.142 ( -8.793 -15.230 -0.000) 17.586 23.864 ( 4.774 8.268 0.000) 9.547 25.255 ( -1.850 -3.204 -0.000) 3.700 25.472 ( 1.390 2.408 0.000) 2.781 26.264 ( -7.521 -13.026 0.000) 15.041 26.736 ( -2.934 -5.082 0.000) 5.868 27.519 ( -5.150 -8.920 0.000) 10.300 28.776 ( -4.806 -8.325 0.000) 9.613 28.983 ( -2.336 -4.046 0.000) 4.672 29.095 ( -2.754 -4.770 0.000) 5.508 32.501 ( -6.254 -10.832 0.000) 12.507 32.848 ( -13.507 -23.396 0.000) 27.015 51.849 ( -1.185 -2.052 0.000) 2.370 52.837 ( 6.664 11.542 0.000) 13.327 52.904 ( -9.906 -17.158 -0.000) 19.812 55.269 ( -1.499 -2.596 0.000) 2.998 55.612 ( 0.363 0.629 0.000) 0.727 56.264 ( 3.412 5.909 0.000) 6.823======================= Grid point 784 (141/147) =======================q-point: ( 0.23 0.15 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 677Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.722 ( 7.025 9.840 0.376) 12.096 2.825 ( 3.683 6.144 1.323) 7.284 3.612 ( 1.812 3.390 1.116) 4.003 4.844 ( 8.955 15.670 -0.809) 18.067 4.972 ( 14.445 25.636 -1.372) 29.458 6.039 ( 14.708 15.253 -0.650) 21.199 6.676 ( -8.890 -0.035 0.590) 8.909 7.312 ( -6.253 -3.076 -2.767) 7.498 7.495 ( 10.489 -11.319 1.678) 15.523 8.110 ( 8.124 9.797 0.497) 12.737 8.920 ( -8.129 9.644 -0.279) 12.616 9.676 ( 8.325 0.326 0.755) 8.365 15.093 ( 13.697 31.200 -0.214) 34.075 17.045 ( 16.574 10.692 0.385) 19.727 18.364 ( 16.104 22.737 -0.293) 27.864 19.833 ( 7.307 5.116 0.585) 8.939 21.786 ( -6.106 7.043 -1.917) 9.516 22.896 ( -0.103 -17.061 0.056) 17.062 23.080 ( 2.623 3.408 0.052) 4.301 24.092 ( 6.698 15.249 0.700) 16.670 25.169 ( -3.495 -4.321 -0.231) 5.562 25.514 ( 1.092 1.158 0.223) 1.608 26.040 ( -5.366 -8.204 0.003) 9.803 26.592 ( -8.901 -3.421 -0.224) 9.539 27.354 ( -2.121 -10.278 0.209) 10.496 28.619 ( -4.408 -6.512 -0.155) 7.865 28.866 ( -7.419 -1.622 0.076) 7.595 29.024 ( 1.066 -6.576 -0.005) 6.662 32.284 ( -7.051 -9.042 0.575) 11.480 32.443 ( -10.315 -15.291 -0.127) 18.445 51.814 ( -0.753 -1.194 0.082) 1.414 52.526 ( -18.367 -2.119 -0.423) 18.493 53.126 ( 17.887 -3.659 0.952) 18.282 55.179 ( -3.358 -6.116 -0.039) 6.978 55.649 ( -1.408 7.551 0.205) 7.684 56.359 ( 3.260 1.614 -0.711) 3.707======================= Grid point 786 (142/147) =======================q-point: ( 0.31 0.15 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 677Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.862 ( 0.134 7.107 -0.430) 7.122 3.008 ( 8.185 6.522 2.669) 10.801 3.681 ( 1.755 3.739 0.976) 4.244 5.051 ( 1.868 10.764 -1.659) 11.050 5.494 ( 13.284 25.496 -1.407) 28.784 6.335 ( 10.051 3.406 -0.030) 10.613 6.501 ( -14.010 4.548 0.701) 14.747 7.111 ( -4.579 -12.575 -1.996) 13.531 7.712 ( 16.750 -1.191 0.373) 16.796 8.376 ( 10.202 9.704 0.596) 14.093 8.829 ( -13.055 9.765 -0.729) 16.319 9.747 ( 4.376 -7.167 1.403) 8.513 15.523 ( 1.025 28.686 -0.316) 28.706 17.500 ( 23.163 8.556 0.777) 24.705 18.754 ( 10.033 8.123 -0.700) 12.927 19.981 ( 7.040 -0.706 0.365) 7.085 21.664 ( -13.289 7.272 -1.213) 15.197 22.779 ( 5.172 -16.407 -0.434) 17.209 23.150 ( 1.956 2.255 0.103) 2.987 24.347 ( 4.755 13.688 0.745) 14.509 25.072 ( -3.665 -1.131 -0.340) 3.850 25.525 ( -0.181 -0.697 0.292) 0.777 25.925 ( -2.256 -1.986 0.022) 3.006 26.377 ( -11.611 -2.025 -0.344) 11.791 27.250 ( 2.439 -11.188 0.256) 11.454 28.504 ( -3.195 -2.750 -0.298) 4.226 28.719 ( -7.369 -0.978 0.249) 7.438 28.991 ( 2.469 -6.551 -0.069) 7.001 32.088 ( -6.201 -6.229 0.719) 8.819 32.193 ( -4.692 -9.140 -0.182) 10.275 51.805 ( 0.195 0.573 0.066) 0.609 52.230 ( -15.905 2.745 -0.044) 16.140 53.374 ( 18.611 -10.959 0.577) 21.605 55.052 ( -3.716 -5.847 -0.008) 6.928 55.699 ( -4.216 11.595 0.254) 12.341 56.413 ( 2.922 -1.246 -0.774) 3.270======================= Grid point 788 (143/147) =======================q-point: ( 0.38 0.15 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 677Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.908 ( -2.276 6.139 -0.137) 6.549 3.162 ( 3.464 2.462 1.199) 4.416 3.734 ( 0.202 2.745 0.369) 2.777 5.139 ( -3.107 9.338 -0.966) 9.888 5.911 ( 9.652 16.543 -1.043) 19.182 6.279 ( -19.557 10.804 0.899) 22.361 6.494 ( 6.049 -0.405 0.383) 6.075 6.940 ( 1.479 -14.092 -1.107) 14.213 7.951 ( 10.298 -2.203 0.030) 10.531 8.601 ( 5.729 4.498 0.729) 7.321 8.699 ( -11.413 9.398 -0.942) 14.815 9.720 ( 2.878 -8.310 0.772) 8.828 15.714 ( -9.498 25.419 -0.143) 27.136 17.912 ( 13.007 4.067 0.535) 13.638 18.878 ( 5.505 -7.179 -0.559) 9.064 20.059 ( 5.231 -5.190 0.111) 7.370 21.541 ( -10.442 11.108 -0.311) 15.249 22.732 ( 7.025 -14.384 -0.246) 16.010 23.189 ( 0.601 0.978 0.051) 1.149 24.501 ( -0.779 9.432 0.315) 9.469 25.031 ( -3.362 4.384 -0.193) 5.528 25.503 ( -0.250 -1.665 0.145) 1.690 25.901 ( -1.461 2.391 0.038) 2.802 26.201 ( -5.746 -0.569 -0.190) 5.777 27.208 ( 5.305 -11.137 0.108) 12.337 28.455 ( -2.009 1.480 -0.206) 2.504 28.613 ( -3.407 -0.298 0.189) 3.425 28.976 ( 3.174 -6.205 -0.039) 6.970 31.968 ( -2.070 -2.683 0.228) 3.396 32.083 ( -0.082 -5.224 0.006) 5.224 51.831 ( 1.052 1.508 0.012) 1.839 52.041 ( -11.077 7.555 0.032) 13.409 53.528 ( 15.500 -18.342 0.190) 24.015 54.957 ( -1.594 -2.754 0.004) 3.182 55.729 ( -6.627 13.058 0.112) 14.643 56.438 ( 2.337 -2.866 -0.321) 3.712======================= Grid point 810 (144/147) =======================q-point: ( 0.23 0.23 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 345Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.932 ( 5.663 9.808 0.000) 11.326 2.935 ( 3.084 5.342 -0.000) 6.168 3.686 ( 2.197 3.805 -0.000) 4.393 5.094 ( 6.052 10.482 0.000) 12.103 5.511 ( 14.604 25.294 0.000) 29.207 6.253 ( 3.979 6.892 0.000) 7.959 6.689 ( 0.599 1.037 0.000) 1.197 7.096 ( -7.961 -13.788 0.000) 15.922 7.509 ( 4.507 7.807 0.000) 9.015 8.337 ( 7.033 12.181 0.000) 14.066 9.025 ( 0.343 0.594 0.000) 0.686 9.643 ( -1.676 -2.903 0.000) 3.352 15.687 ( 15.259 26.429 0.000) 30.518 17.309 ( 9.465 16.393 0.000) 18.929 18.709 ( 6.003 10.397 -0.000) 12.005 19.913 ( 1.650 2.857 0.000) 3.299 21.856 ( 0.075 0.129 0.000) 0.150 22.612 ( -6.143 -10.639 0.000) 12.285 23.144 ( 1.605 2.779 0.000) 3.209 24.378 ( 7.329 12.694 0.000) 14.658 25.099 ( -1.046 -1.813 -0.000) 2.093 25.522 ( -0.310 -0.537 0.000) 0.620 25.933 ( -1.407 -2.437 0.000) 2.814 26.493 ( -3.958 -6.855 0.000) 7.916 27.152 ( -5.277 -9.141 0.000) 10.555 28.518 ( -1.932 -3.346 0.000) 3.863 28.822 ( -2.147 -3.719 0.000) 4.294 28.894 ( -2.990 -5.179 0.000) 5.981 32.115 ( -4.427 -7.668 0.000) 8.854 32.184 ( -5.966 -10.333 0.000) 11.932 51.806 ( 0.258 0.447 0.000) 0.516 52.445 ( -3.281 -5.683 0.000) 6.562 53.092 ( 0.095 0.164 0.000) 0.190 55.055 ( -3.387 -5.866 0.000) 6.774 55.803 ( 4.216 7.303 0.000) 8.433 56.374 ( 0.028 0.048 0.000) 0.055======================= Grid point 812 (145/147) =======================q-point: ( 0.31 0.23 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 677Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.006 ( -1.086 6.730 -0.713) 6.854 3.111 ( 5.642 3.705 1.258) 6.866 3.753 ( 1.194 3.252 0.257) 3.473 5.257 ( 1.174 9.077 -0.642) 9.176 5.923 ( 7.856 15.727 -0.148) 17.580 6.366 ( 6.128 0.678 0.346) 6.175 6.708 ( -8.765 16.460 0.149) 18.649 6.838 ( -5.515 -13.585 -0.766) 14.682 7.695 ( 12.090 -2.775 -0.035) 12.404 8.567 ( 6.209 9.365 0.321) 11.241 8.957 ( -8.754 2.605 -0.502) 9.147 9.585 ( 1.680 -7.830 0.576) 8.029 16.090 ( 0.166 25.992 -0.146) 25.992 17.698 ( 17.205 12.056 0.439) 21.013 18.757 ( -1.004 -7.894 -0.407) 7.968 19.951 ( 2.367 -1.966 0.054) 3.078 21.819 ( -7.758 8.097 -0.102) 11.214 22.475 ( 3.793 -13.793 -0.191) 14.306 23.188 ( 0.908 1.446 0.046) 1.708 24.580 ( 2.934 9.421 0.180) 9.869 25.111 ( 0.118 4.891 -0.147) 4.895 25.490 ( -1.114 -2.993 0.110) 3.195 25.934 ( 0.822 2.886 0.035) 3.001 26.322 ( -8.533 -3.848 -0.161) 9.362 27.015 ( 1.587 -11.394 0.101) 11.505 28.490 ( -0.219 1.290 -0.142) 1.316 28.704 ( -7.153 -0.558 0.226) 7.178 28.845 ( 3.445 -7.724 -0.116) 8.459 31.985 ( -3.446 -3.958 0.182) 5.251 32.037 ( -1.598 -6.268 -0.051) 6.469 51.829 ( 0.923 1.498 0.007) 1.759 52.326 ( -10.154 6.915 -0.002) 12.285 53.113 ( 9.844 -14.399 0.114) 17.443 54.958 ( -2.084 -3.582 0.003) 4.144 55.925 ( -0.907 10.619 0.149) 10.659 56.367 ( 1.275 -3.389 -0.254) 3.630======================= Grid point 814 (146/147) =======================q-point: ( 0.38 0.23 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 345Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.031 ( -3.305 5.725 -0.000) 6.610 3.181 ( 0.329 -0.570 0.000) 0.658 3.782 ( -1.074 1.860 0.000) 2.148 5.312 ( -4.069 7.047 0.000) 8.138 6.070 ( -2.295 3.975 0.000) 4.590 6.461 ( 1.700 -2.944 0.000) 3.400 6.674 ( 2.564 -4.442 0.000) 5.129 6.723 ( -12.081 20.925 0.000) 24.162 7.801 ( 7.650 -13.249 0.000) 15.299 8.695 ( -2.670 4.624 0.000) 5.339 8.857 ( -3.549 6.148 0.000) 7.099 9.558 ( 4.087 -7.079 0.000) 8.174 16.218 ( -12.899 22.341 0.000) 25.797 17.976 ( -1.379 2.389 0.000) 2.758 18.647 ( 7.830 -13.562 0.000) 15.660 19.960 ( 2.294 -3.972 0.000) 4.587 21.788 ( -7.475 12.947 0.000) 14.950 22.442 ( 8.207 -14.216 0.000) 16.415 23.203 ( -0.243 0.422 0.000) 0.487 24.656 ( -3.272 5.668 0.000) 6.545 25.151 ( -3.846 6.662 0.000) 7.693 25.454 ( 1.850 -3.204 -0.000) 3.700 25.978 ( -2.653 4.596 0.000) 5.307 26.199 ( -0.284 0.492 0.000) 0.568 26.974 ( 6.385 -11.059 0.000) 12.770 28.511 ( -2.003 3.470 0.000) 4.007 28.620 ( -0.791 1.370 0.000) 1.582 28.838 ( 4.262 -7.382 0.000) 8.524 31.933 ( 0.457 -0.792 0.000) 0.914 31.993 ( 2.052 -3.554 0.000) 4.103 51.849 ( -0.257 0.445 0.000) 0.514 52.266 ( -8.165 14.142 0.000) 16.329 53.128 ( 11.784 -20.411 0.000) 23.568 54.920 ( 0.636 -1.102 0.000) 1.272 55.972 ( -6.185 10.713 0.000) 12.370 56.359 ( 2.805 -4.858 0.000) 5.610======================= Grid point 840 (147/147) =======================q-point: ( 0.31 0.31 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 7.40e-04 7.40e-04 8.24e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 345Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.110 ( 1.805 3.126 0.000) 3.609 3.155 ( 0.444 0.769 0.000) 0.888 3.802 ( 0.773 1.338 0.000) 1.546 5.387 ( 2.004 3.471 0.000) 4.008 6.126 ( 3.015 5.222 0.000) 6.030 6.402 ( 2.243 3.885 0.000) 4.486 6.581 ( -6.214 -10.763 0.000) 12.428 7.102 ( 10.690 18.515 0.000) 21.380 7.555 ( -6.071 -10.515 0.000) 12.141 8.749 ( 4.887 8.464 0.000) 9.774 8.925 ( -2.984 -5.168 0.000) 5.968 9.477 ( -1.480 -2.564 0.000) 2.961 16.473 ( 6.035 10.453 0.000) 12.070 18.004 ( 10.188 17.646 0.000) 20.376 18.475 ( -10.306 -17.851 0.000) 20.613 19.918 ( -0.555 -0.961 0.000) 1.109 21.982 ( 4.355 7.544 0.000) 8.711 22.236 ( -5.458 -9.454 0.000) 10.916 23.207 ( 0.277 0.480 0.000) 0.554 24.714 ( 2.095 3.629 0.000) 4.191 25.239 ( 3.898 6.751 0.000) 7.796 25.404 ( -3.002 -5.200 0.000) 6.004 26.035 ( 3.800 6.582 0.000) 7.601 26.212 ( -3.931 -6.809 0.000) 7.863 26.842 ( -2.798 -4.846 0.000) 5.596 28.551 ( 2.499 4.328 0.000) 4.998 28.696 ( -2.459 -4.260 0.000) 4.919 28.697 ( -1.452 -2.515 0.000) 2.904 31.932 ( -0.729 -1.262 0.000) 1.457 31.950 ( -1.338 -2.317 0.000) 2.675 51.853 ( 0.409 0.708 0.000) 0.818 52.498 ( 5.329 9.230 0.000) 10.658 52.832 ( -7.016 -12.153 0.000) 14.033 54.910 ( -0.694 -1.202 0.000) 1.388 56.110 ( 4.262 7.383 0.000) 8.525 56.281 ( -2.788 -4.829 0.000) 5.576=================== 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 3/48672 10.0 2128.291 2128.291 2678.282 0.000 -0.000 0.000 3/48672 20.0 875.682 875.682 719.766 0.000 0.000 0.000 3/48672 30.0 396.225 396.225 297.781 0.000 -0.000 0.000 3/48672 40.0 210.530 210.530 147.742 0.000 -0.000 0.000 3/48672 50.0 131.600 131.600 88.113 0.000 -0.000 0.000 3/48672 60.0 92.534 92.534 59.589 0.000 -0.000 0.000 3/48672 70.0 70.539 70.539 43.869 0.000 -0.000 0.000 3/48672 80.0 56.840 56.840 34.257 0.000 -0.000 0.000 3/48672 90.0 47.600 47.600 27.899 0.000 -0.000 0.000 3/48672 100.0 40.955 40.955 23.425 0.000 -0.000 0.000 3/48672 110.0 35.925 35.925 20.118 0.000 0.000 0.000 3/48672 120.0 31.959 31.959 17.575 0.000 0.000 0.000 3/48672 130.0 28.732 28.732 15.555 0.000 0.000 0.000 3/48672 140.0 26.042 26.042 13.911 0.000 0.000 0.000 3/48672 150.0 23.758 23.758 12.544 0.000 0.000 0.000 3/48672 160.0 21.793 21.793 11.391 0.000 0.000 0.000 3/48672 170.0 20.085 20.085 10.407 0.000 0.000 0.000 3/48672 180.0 18.588 18.588 9.557 0.000 0.000 0.000 3/48672 190.0 17.268 17.268 8.818 0.000 0.000 0.000 3/48672 200.0 16.099 16.099 8.171 0.000 0.000 0.000 3/48672 210.0 15.058 15.058 7.602 0.000 0.000 0.000 3/48672 220.0 14.128 14.128 7.098 0.000 0.000 0.000 3/48672 230.0 13.294 13.294 6.649 0.000 0.000 0.000 3/48672 240.0 12.543 12.543 6.249 0.000 0.000 0.000 3/48672 250.0 11.865 11.865 5.890 0.000 0.000 0.000 3/48672 260.0 11.251 11.251 5.567 0.000 0.000 0.000 3/48672 270.0 10.693 10.693 5.275 0.000 0.000 0.000 3/48672 280.0 10.185 10.185 5.011 0.000 0.000 0.000 3/48672 290.0 9.720 9.720 4.771 0.000 0.000 0.000 3/48672 300.0 9.295 9.295 4.551 0.000 0.000 0.000 3/48672 310.0 8.903 8.903 4.351 0.000 0.000 0.000 3/48672 320.0 8.543 8.543 4.167 0.000 0.000 0.000 3/48672 330.0 8.210 8.210 3.998 0.000 0.000 0.000 3/48672 340.0 7.902 7.902 3.842 0.000 0.000 0.000 3/48672 350.0 7.616 7.616 3.697 0.000 0.000 0.000 3/48672 360.0 7.350 7.350 3.563 0.000 0.000 0.000 3/48672 370.0 7.102 7.102 3.439 0.000 0.000 0.000 3/48672 380.0 6.870 6.870 3.323 0.000 0.000 0.000 3/48672 390.0 6.654 6.654 3.215 0.000 0.000 0.000 3/48672 400.0 6.450 6.450 3.114 0.000 0.000 0.000 3/48672 410.0 6.260 6.260 3.019 0.000 0.000 0.000 3/48672 420.0 6.080 6.080 2.930 0.000 0.000 0.000 3/48672 430.0 5.911 5.911 2.847 0.000 0.000 0.000 3/48672 440.0 5.751 5.751 2.768 0.000 0.000 0.000 3/48672 450.0 5.600 5.600 2.693 0.000 0.000 0.000 3/48672 460.0 5.457 5.457 2.623 0.000 0.000 0.000 3/48672 470.0 5.321 5.321 2.557 0.000 0.000 0.000 3/48672 480.0 5.193 5.193 2.493 0.000 0.000 0.000 3/48672 490.0 5.070 5.070 2.434 0.000 0.000 0.000 3/48672 500.0 4.954 4.954 2.377 0.000 0.000 0.000 3/48672 510.0 4.843 4.843 2.322 0.000 0.000 0.000 3/48672 520.0 4.737 4.737 2.271 0.000 0.000 0.000 3/48672 530.0 4.635 4.635 2.221 0.000 0.000 0.000 3/48672 540.0 4.539 4.539 2.174 0.000 0.000 0.000 3/48672 550.0 4.446 4.446 2.129 0.000 0.000 0.000 3/48672 560.0 4.357 4.357 2.086 0.000 0.000 0.000 3/48672 570.0 4.272 4.272 2.045 0.000 0.000 0.000 3/48672 580.0 4.190 4.190 2.005 0.000 0.000 0.000 3/48672 590.0 4.112 4.112 1.967 0.000 0.000 0.000 3/48672 600.0 4.037 4.037 1.931 0.000 0.000 0.000 3/48672 610.0 3.964 3.964 1.895 0.000 0.000 0.000 3/48672 620.0 3.894 3.894 1.862 0.000 0.000 0.000 3/48672 630.0 3.827 3.827 1.829 0.000 0.000 0.000 3/48672 640.0 3.762 3.762 1.798 0.000 0.000 0.000 3/48672 650.0 3.699 3.699 1.767 0.000 0.000 0.000 3/48672 660.0 3.638 3.638 1.738 0.000 0.000 0.000 3/48672 670.0 3.580 3.580 1.710 0.000 0.000 0.000 3/48672 680.0 3.523 3.523 1.683 0.000 0.000 0.000 3/48672 690.0 3.469 3.469 1.656 0.000 0.000 0.000 3/48672 700.0 3.416 3.416 1.631 0.000 0.000 0.000 3/48672 710.0 3.364 3.364 1.606 0.000 0.000 0.000 3/48672 720.0 3.315 3.315 1.582 0.000 0.000 0.000 3/48672 730.0 3.266 3.266 1.559 0.000 0.000 0.000 3/48672 740.0 3.220 3.220 1.536 0.000 0.000 0.000 3/48672 750.0 3.174 3.174 1.514 0.000 0.000 0.000 3/48672 760.0 3.130 3.130 1.493 0.000 0.000 0.000 3/48672 770.0 3.087 3.087 1.473 0.000 0.000 0.000 3/48672 780.0 3.046 3.046 1.453 0.000 0.000 0.000 3/48672 790.0 3.005 3.005 1.433 0.000 0.000 0.000 3/48672 800.0 2.966 2.966 1.414 0.000 0.000 0.000 3/48672 810.0 2.927 2.927 1.396 0.000 0.000 0.000 3/48672 820.0 2.890 2.890 1.378 0.000 0.000 0.000 3/48672 830.0 2.854 2.854 1.360 0.000 0.000 0.000 3/48672 840.0 2.818 2.818 1.343 0.000 0.000 0.000 3/48672 850.0 2.784 2.784 1.327 0.000 0.000 0.000 3/48672 860.0 2.750 2.750 1.311 0.000 0.000 0.000 3/48672 870.0 2.717 2.717 1.295 0.000 0.000 0.000 3/48672 880.0 2.685 2.685 1.280 0.000 0.000 0.000 3/48672 890.0 2.654 2.654 1.265 0.000 0.000 0.000 3/48672 900.0 2.624 2.624 1.250 0.000 0.000 0.000 3/48672 910.0 2.594 2.594 1.236 0.000 0.000 0.000 3/48672 920.0 2.565 2.565 1.222 0.000 0.000 0.000 3/48672 930.0 2.536 2.536 1.208 0.000 0.000 0.000 3/48672 940.0 2.509 2.509 1.195 0.000 0.000 0.000 3/48672 950.0 2.481 2.481 1.182 0.000 0.000 0.000 3/48672 960.0 2.455 2.455 1.169 0.000 0.000 0.000 3/48672 970.0 2.429 2.429 1.156 0.000 0.000 0.000 3/48672 980.0 2.403 2.403 1.144 0.000 0.000 0.000 3/48672 990.0 2.379 2.379 1.132 0.000 0.000 0.000 3/48672 1000.0 2.354 2.354 1.121 0.000 0.000 0.000 3/48672Thermal conductivity related properties were written into "kappa-m13138.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 21:07:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | 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