# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/5d859e04-7ee2-4152-9c7b-1c4cc5b63782/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 LiHF2 / R-3m (166) / materials id 24199](https://mdr.nims.go.jp/datasets/3b06ba66-1777-49d7-b262-93b00c5b593d) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 05:48:04]-------------------------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: [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)Number of symmetry operations in supercell: 324------------------------------ primitive cell ------------------------------Lattice vectors: a 1.484368794351230 0.857000722995362 4.380710123333329 b -1.484368794351228 0.857000722995362 4.380710123333329 c 0.000000000000002 -1.714001445990726 4.380710123333329Atomic positions (fractional): *1 H 0.50000000000000 0.50000000000000 0.50000000000000 1.008 *2 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 *3 F 0.41309134544122 0.41309134544122 0.41309134544122 18.998 4 F 0.58690865455878 0.58690865455878 0.58690865455878 18.998-------------------------------- unit cell ---------------------------------Lattice vectors: a 2.968737588702459 0.000000000000000 0.000000000000000 b -1.484368794351230 2.571002168986088 0.000000000000000 c 0.000000000000000 0.000000000000000 13.142130370000000Atomic positions (fractional): *1 H 0.66666666666667 0.33333333333333 0.83333333333333 1.008 > 1 2 H 0.33333333333333 0.66666666666667 0.16666666666667 1.008 > 1 3 H 0.00000000000000 0.00000000000000 0.50000000000000 1.008 > 1 *4 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 2 5 Li 0.66666666666667 0.33333333333333 0.33333333333333 6.941 > 2 6 Li 0.33333333333333 0.66666666666667 0.66666666666667 6.941 > 2 *7 F 0.66666666666667 0.33333333333333 0.74642467877455 18.998 > 3 8 F 0.66666666666667 0.33333333333333 0.92024198789212 18.998 > 4 9 F 0.33333333333333 0.66666666666667 0.07975801210788 18.998 > 3 10 F 0.33333333333333 0.66666666666667 0.25357532122545 18.998 > 4 11 F 0.00000000000000 0.00000000000000 0.41309134544122 18.998 > 3 12 F 0.00000000000000 0.00000000000000 0.58690865455878 18.998 > 4-------------------------------- super cell --------------------------------Lattice vectors: a 8.906212766107377 0.000000000000000 0.000000000000000 b -4.453106383053690 7.713006506958264 0.000000000000000 c 0.000000000000000 0.000000000000000 13.142130370000000Atomic positions (fractional): *1 H 0.22222222222222 0.11111111111111 0.83333333333333 1.008 > 1 2 H 0.55555555555556 0.11111111111111 0.83333333333333 1.008 > 1 3 H 0.88888888888889 0.11111111111111 0.83333333333333 1.008 > 1 4 H 0.22222222222222 0.44444444444444 0.83333333333333 1.008 > 1 5 H 0.55555555555556 0.44444444444444 0.83333333333333 1.008 > 1 6 H 0.88888888888889 0.44444444444444 0.83333333333333 1.008 > 1 7 H 0.22222222222222 0.77777777777778 0.83333333333333 1.008 > 1 8 H 0.55555555555556 0.77777777777778 0.83333333333333 1.008 > 1 9 H 0.88888888888889 0.77777777777778 0.83333333333333 1.008 > 1 10 H 0.11111111111111 0.22222222222222 0.16666666666667 1.008 > 1 11 H 0.44444444444444 0.22222222222222 0.16666666666667 1.008 > 1 12 H 0.77777777777778 0.22222222222222 0.16666666666667 1.008 > 1 13 H 0.11111111111111 0.55555555555556 0.16666666666667 1.008 > 1 14 H 0.44444444444444 0.55555555555556 0.16666666666667 1.008 > 1 15 H 0.77777777777778 0.55555555555556 0.16666666666667 1.008 > 1 16 H 0.11111111111111 0.88888888888889 0.16666666666667 1.008 > 1 17 H 0.44444444444444 0.88888888888889 0.16666666666667 1.008 > 1 18 H 0.77777777777778 0.88888888888889 0.16666666666667 1.008 > 1 19 H 0.00000000000000 0.00000000000000 0.50000000000000 1.008 > 1 20 H 0.33333333333333 0.00000000000000 0.50000000000000 1.008 > 1 21 H 0.66666666666667 0.00000000000000 0.50000000000000 1.008 > 1 22 H 0.00000000000000 0.33333333333333 0.50000000000000 1.008 > 1 23 H 0.33333333333333 0.33333333333333 0.50000000000000 1.008 > 1 24 H 0.66666666666667 0.33333333333333 0.50000000000000 1.008 > 1 25 H 0.00000000000000 0.66666666666667 0.50000000000000 1.008 > 1 26 H 0.33333333333333 0.66666666666667 0.50000000000000 1.008 > 1 27 H 0.66666666666667 0.66666666666667 0.50000000000000 1.008 > 1 *28 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 2 29 Li 0.33333333333333 0.00000000000000 0.00000000000000 6.941 > 2 30 Li 0.66666666666667 0.00000000000000 0.00000000000000 6.941 > 2 31 Li 0.00000000000000 0.33333333333333 0.00000000000000 6.941 > 2 32 Li 0.33333333333333 0.33333333333333 0.00000000000000 6.941 > 2 33 Li 0.66666666666667 0.33333333333333 0.00000000000000 6.941 > 2 34 Li 0.00000000000000 0.66666666666667 0.00000000000000 6.941 > 2 35 Li 0.33333333333333 0.66666666666667 0.00000000000000 6.941 > 2 36 Li 0.66666666666667 0.66666666666667 0.00000000000000 6.941 > 2 37 Li 0.22222222222222 0.11111111111111 0.33333333333333 6.941 > 2 38 Li 0.55555555555556 0.11111111111111 0.33333333333333 6.941 > 2 39 Li 0.88888888888889 0.11111111111111 0.33333333333333 6.941 > 2 40 Li 0.22222222222222 0.44444444444444 0.33333333333333 6.941 > 2 41 Li 0.55555555555556 0.44444444444444 0.33333333333333 6.941 > 2 42 Li 0.88888888888889 0.44444444444444 0.33333333333333 6.941 > 2 43 Li 0.22222222222222 0.77777777777778 0.33333333333333 6.941 > 2 44 Li 0.55555555555556 0.77777777777778 0.33333333333333 6.941 > 2 45 Li 0.88888888888889 0.77777777777778 0.33333333333333 6.941 > 2 46 Li 0.11111111111111 0.22222222222222 0.66666666666667 6.941 > 2 47 Li 0.44444444444444 0.22222222222222 0.66666666666667 6.941 > 2 48 Li 0.77777777777778 0.22222222222222 0.66666666666667 6.941 > 2 49 Li 0.11111111111111 0.55555555555556 0.66666666666667 6.941 > 2 50 Li 0.44444444444444 0.55555555555556 0.66666666666667 6.941 > 2 51 Li 0.77777777777778 0.55555555555556 0.66666666666667 6.941 > 2 52 Li 0.11111111111111 0.88888888888889 0.66666666666667 6.941 > 2 53 Li 0.44444444444444 0.88888888888889 0.66666666666667 6.941 > 2 54 Li 0.77777777777778 0.88888888888889 0.66666666666667 6.941 > 2 *55 F 0.22222222222222 0.11111111111111 0.74642467877455 18.998 > 3 56 F 0.55555555555556 0.11111111111111 0.74642467877455 18.998 > 3 57 F 0.88888888888889 0.11111111111111 0.74642467877455 18.998 > 3 58 F 0.22222222222222 0.44444444444444 0.74642467877455 18.998 > 3 59 F 0.55555555555556 0.44444444444444 0.74642467877455 18.998 > 3 60 F 0.88888888888889 0.44444444444444 0.74642467877455 18.998 > 3 61 F 0.22222222222222 0.77777777777778 0.74642467877455 18.998 > 3 62 F 0.55555555555556 0.77777777777778 0.74642467877455 18.998 > 3 63 F 0.88888888888889 0.77777777777778 0.74642467877455 18.998 > 3 64 F 0.22222222222222 0.11111111111111 0.92024198789212 18.998 > 4 65 F 0.55555555555556 0.11111111111111 0.92024198789212 18.998 > 4 66 F 0.88888888888889 0.11111111111111 0.92024198789212 18.998 > 4 67 F 0.22222222222222 0.44444444444444 0.92024198789212 18.998 > 4 68 F 0.55555555555556 0.44444444444444 0.92024198789212 18.998 > 4 69 F 0.88888888888889 0.44444444444444 0.92024198789212 18.998 > 4 70 F 0.22222222222222 0.77777777777778 0.92024198789212 18.998 > 4 71 F 0.55555555555556 0.77777777777778 0.92024198789212 18.998 > 4 72 F 0.88888888888889 0.77777777777778 0.92024198789212 18.998 > 4 73 F 0.11111111111111 0.22222222222222 0.07975801210788 18.998 > 3 74 F 0.44444444444444 0.22222222222222 0.07975801210788 18.998 > 3 75 F 0.77777777777778 0.22222222222222 0.07975801210788 18.998 > 3 76 F 0.11111111111111 0.55555555555556 0.07975801210788 18.998 > 3 77 F 0.44444444444444 0.55555555555556 0.07975801210788 18.998 > 3 78 F 0.77777777777778 0.55555555555556 0.07975801210788 18.998 > 3 79 F 0.11111111111111 0.88888888888889 0.07975801210788 18.998 > 3 80 F 0.44444444444444 0.88888888888889 0.07975801210788 18.998 > 3 81 F 0.77777777777778 0.88888888888889 0.07975801210788 18.998 > 3 82 F 0.11111111111111 0.22222222222222 0.25357532122545 18.998 > 4 83 F 0.44444444444444 0.22222222222222 0.25357532122545 18.998 > 4 84 F 0.77777777777778 0.22222222222222 0.25357532122545 18.998 > 4 85 F 0.11111111111111 0.55555555555556 0.25357532122545 18.998 > 4 86 F 0.44444444444444 0.55555555555556 0.25357532122545 18.998 > 4 87 F 0.77777777777778 0.55555555555556 0.25357532122545 18.998 > 4 88 F 0.11111111111111 0.88888888888889 0.25357532122545 18.998 > 4 89 F 0.44444444444444 0.88888888888889 0.25357532122545 18.998 > 4 90 F 0.77777777777778 0.88888888888889 0.25357532122545 18.998 > 4 91 F 0.00000000000000 0.00000000000000 0.41309134544122 18.998 > 3 92 F 0.33333333333333 0.00000000000000 0.41309134544122 18.998 > 3 93 F 0.66666666666667 0.00000000000000 0.41309134544122 18.998 > 3 94 F 0.00000000000000 0.33333333333333 0.41309134544122 18.998 > 3 95 F 0.33333333333333 0.33333333333333 0.41309134544122 18.998 > 3 96 F 0.66666666666667 0.33333333333333 0.41309134544122 18.998 > 3 97 F 0.00000000000000 0.66666666666667 0.41309134544122 18.998 > 3 98 F 0.33333333333333 0.66666666666667 0.41309134544122 18.998 > 3 99 F 0.66666666666667 0.66666666666667 0.41309134544122 18.998 > 3 100 F 0.00000000000000 0.00000000000000 0.58690865455878 18.998 > 4 101 F 0.33333333333333 0.00000000000000 0.58690865455878 18.998 > 4 102 F 0.66666666666667 0.00000000000000 0.58690865455878 18.998 > 4 103 F 0.00000000000000 0.33333333333333 0.58690865455878 18.998 > 4 104 F 0.33333333333333 0.33333333333333 0.58690865455878 18.998 > 4 105 F 0.66666666666667 0.33333333333333 0.58690865455878 18.998 > 4 106 F 0.00000000000000 0.66666666666667 0.58690865455878 18.998 > 4 107 F 0.33333333333333 0.66666666666667 0.58690865455878 18.998 > 4 108 F 0.66666666666667 0.66666666666667 0.58690865455878 18.998 > 4----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 1.8480798 0.0000000 0.0000000 0.0000000 1.8480798 0.0000000 0.0000000 0.0000000 2.1272974-------------------------- Born effective charges -------------------------- 1 H 0.3837548 0.0000000 0.0000000 -0.0000000 0.3837548 0.0000000 0.0000000 0.0000000 1.9883001 2 Li 1.0693382 0.0000000 0.0000000 0.0000000 1.0693382 0.0000000 0.0000000 0.0000000 1.0715937 3 F -0.7265465 -0.0000000 0.0000000 -0.0000000 -0.7265465 0.0000000 0.0000000 0.0000000 -1.5299469 4 F -0.7265465 -0.0000000 0.0000000 -0.0000000 -0.7265465 0.0000000 0.0000000 0.0000000 -1.5299469----------------------------------------------------------------------------Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".-------------------------------- Symfc start -------------------------------Symfc version 1.5.4 (https://github.com/symfc/symfc)Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024)Computing [2] order force constants.Permutation basis: 324/324Permutation basis: 2568/2568Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 215Number of blocks in projector: 192Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 5--- Eigsh_solver_block: 1 / 5 ---Block_size: 97Use standard eigh solver.--- Eigsh_solver_block: 2 / 5 ---Block_size: 62Use standard eigh solver.--- Eigsh_solver_block: 3 / 5 ---Block_size: 54Use standard eigh solver.--- Eigsh_solver_block: 4 / 5 ---Block_size: 1Use standard eigh solver.--- Eigsh_solver_block: 5 / 5 ---Block_size: 1Use standard eigh solver.Tree of FC basis block matrices:- (215, 209), data: False|-- (1, 1), data: True|-- (1, 1), data: True|-- (54, 51), data: True|-- (62, 62), data: True|-- (97, 94), data: True-----Solver_atoms: 1 -- 108 / 108Time (Solver_compr_matrix_reshape): 0.006Solver_block: 80 / 80 - Time: 0.115Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.122--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 324/324Permutation basis: 2568/2568Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 215Number of blocks in projector: 192Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 5--- Eigsh_solver_block: 1 / 5 ---Block_size: 97Use standard eigh solver.--- Eigsh_solver_block: 2 / 5 ---Block_size: 62Use standard eigh solver.--- Eigsh_solver_block: 3 / 5 ---Block_size: 54Use standard eigh solver.--- Eigsh_solver_block: 4 / 5 ---Block_size: 1Use standard eigh solver.--- Eigsh_solver_block: 5 / 5 ---Block_size: 1Use standard eigh solver.Tree of FC basis block matrices:- (215, 209), data: False|-- (1, 1), data: True|-- (1, 1), data: True|-- (54, 51), data: True|-- (62, 62), data: True|-- (97, 94), 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 05:48:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 05:48:08]-------------------------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): [3 3 1]Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)------------------------------ primitive cell ------------------------------Lattice vectors: a 1.484368794351230 0.857000722995362 4.380710123333329 b -1.484368794351228 0.857000722995362 4.380710123333329 c 0.000000000000002 -1.714001445990726 4.380710123333329Atomic positions (fractional): 1 H 0.50000000000000 0.50000000000000 0.50000000000000 1.008 2 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 3 F 0.41309134544122 0.41309134544122 0.41309134544122 18.998 4 F 0.58690865455878 0.58690865455878 0.58690865455878 18.998-------------------------------- supercell ---------------------------------Lattice vectors: a 8.906212766107377 0.000000000000000 0.000000000000000 b -4.453106383053690 7.713006506958264 0.000000000000000 c 0.000000000000000 0.000000000000000 13.142130370000000Atomic positions (fractional): 1 H 0.22222222222222 0.11111111111111 0.83333333333333 1.008 > 1 2 H 0.55555555555556 0.11111111111111 0.83333333333333 1.008 > 1 3 H 0.88888888888889 0.11111111111111 0.83333333333333 1.008 > 1 4 H 0.22222222222222 0.44444444444444 0.83333333333333 1.008 > 1 5 H 0.55555555555556 0.44444444444444 0.83333333333333 1.008 > 1 6 H 0.88888888888889 0.44444444444444 0.83333333333333 1.008 > 1 7 H 0.22222222222222 0.77777777777778 0.83333333333333 1.008 > 1 8 H 0.55555555555556 0.77777777777778 0.83333333333333 1.008 > 1 9 H 0.88888888888889 0.77777777777778 0.83333333333333 1.008 > 1 10 H 0.11111111111111 0.22222222222222 0.16666666666667 1.008 > 1 11 H 0.44444444444444 0.22222222222222 0.16666666666667 1.008 > 1 12 H 0.77777777777778 0.22222222222222 0.16666666666667 1.008 > 1 13 H 0.11111111111111 0.55555555555556 0.16666666666667 1.008 > 1 14 H 0.44444444444444 0.55555555555556 0.16666666666667 1.008 > 1 15 H 0.77777777777778 0.55555555555556 0.16666666666667 1.008 > 1 16 H 0.11111111111111 0.88888888888889 0.16666666666667 1.008 > 1 17 H 0.44444444444444 0.88888888888889 0.16666666666667 1.008 > 1 18 H 0.77777777777778 0.88888888888889 0.16666666666667 1.008 > 1 19 H 0.00000000000000 0.00000000000000 0.50000000000000 1.008 > 1 20 H 0.33333333333333 0.00000000000000 0.50000000000000 1.008 > 1 21 H 0.66666666666667 0.00000000000000 0.50000000000000 1.008 > 1 22 H 0.00000000000000 0.33333333333333 0.50000000000000 1.008 > 1 23 H 0.33333333333333 0.33333333333333 0.50000000000000 1.008 > 1 24 H 0.66666666666667 0.33333333333333 0.50000000000000 1.008 > 1 25 H 0.00000000000000 0.66666666666667 0.50000000000000 1.008 > 1 26 H 0.33333333333333 0.66666666666667 0.50000000000000 1.008 > 1 27 H 0.66666666666667 0.66666666666667 0.50000000000000 1.008 > 1 28 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 28 29 Li 0.33333333333333 0.00000000000000 0.00000000000000 6.941 > 28 30 Li 0.66666666666667 0.00000000000000 0.00000000000000 6.941 > 28 31 Li 0.00000000000000 0.33333333333333 0.00000000000000 6.941 > 28 32 Li 0.33333333333333 0.33333333333333 0.00000000000000 6.941 > 28 33 Li 0.66666666666667 0.33333333333333 0.00000000000000 6.941 > 28 34 Li 0.00000000000000 0.66666666666667 0.00000000000000 6.941 > 28 35 Li 0.33333333333333 0.66666666666667 0.00000000000000 6.941 > 28 36 Li 0.66666666666667 0.66666666666667 0.00000000000000 6.941 > 28 37 Li 0.22222222222222 0.11111111111111 0.33333333333333 6.941 > 28 38 Li 0.55555555555556 0.11111111111111 0.33333333333333 6.941 > 28 39 Li 0.88888888888889 0.11111111111111 0.33333333333333 6.941 > 28 40 Li 0.22222222222222 0.44444444444444 0.33333333333333 6.941 > 28 41 Li 0.55555555555556 0.44444444444444 0.33333333333333 6.941 > 28 42 Li 0.88888888888889 0.44444444444444 0.33333333333333 6.941 > 28 43 Li 0.22222222222222 0.77777777777778 0.33333333333333 6.941 > 28 44 Li 0.55555555555556 0.77777777777778 0.33333333333333 6.941 > 28 45 Li 0.88888888888889 0.77777777777778 0.33333333333333 6.941 > 28 46 Li 0.11111111111111 0.22222222222222 0.66666666666667 6.941 > 28 47 Li 0.44444444444444 0.22222222222222 0.66666666666667 6.941 > 28 48 Li 0.77777777777778 0.22222222222222 0.66666666666667 6.941 > 28 49 Li 0.11111111111111 0.55555555555556 0.66666666666667 6.941 > 28 50 Li 0.44444444444444 0.55555555555556 0.66666666666667 6.941 > 28 51 Li 0.77777777777778 0.55555555555556 0.66666666666667 6.941 > 28 52 Li 0.11111111111111 0.88888888888889 0.66666666666667 6.941 > 28 53 Li 0.44444444444444 0.88888888888889 0.66666666666667 6.941 > 28 54 Li 0.77777777777778 0.88888888888889 0.66666666666667 6.941 > 28 55 F 0.22222222222222 0.11111111111111 0.74642467877455 18.998 > 55 56 F 0.55555555555556 0.11111111111111 0.74642467877455 18.998 > 55 57 F 0.88888888888889 0.11111111111111 0.74642467877455 18.998 > 55 58 F 0.22222222222222 0.44444444444444 0.74642467877455 18.998 > 55 59 F 0.55555555555556 0.44444444444444 0.74642467877455 18.998 > 55 60 F 0.88888888888889 0.44444444444444 0.74642467877455 18.998 > 55 61 F 0.22222222222222 0.77777777777778 0.74642467877455 18.998 > 55 62 F 0.55555555555556 0.77777777777778 0.74642467877455 18.998 > 55 63 F 0.88888888888889 0.77777777777778 0.74642467877455 18.998 > 55 64 F 0.22222222222222 0.11111111111111 0.92024198789212 18.998 > 64 65 F 0.55555555555556 0.11111111111111 0.92024198789212 18.998 > 64 66 F 0.88888888888889 0.11111111111111 0.92024198789212 18.998 > 64 67 F 0.22222222222222 0.44444444444444 0.92024198789212 18.998 > 64 68 F 0.55555555555556 0.44444444444444 0.92024198789212 18.998 > 64 69 F 0.88888888888889 0.44444444444444 0.92024198789212 18.998 > 64 70 F 0.22222222222222 0.77777777777778 0.92024198789212 18.998 > 64 71 F 0.55555555555556 0.77777777777778 0.92024198789212 18.998 > 64 72 F 0.88888888888889 0.77777777777778 0.92024198789212 18.998 > 64 73 F 0.11111111111111 0.22222222222222 0.07975801210788 18.998 > 55 74 F 0.44444444444444 0.22222222222222 0.07975801210788 18.998 > 55 75 F 0.77777777777778 0.22222222222222 0.07975801210788 18.998 > 55 76 F 0.11111111111111 0.55555555555556 0.07975801210788 18.998 > 55 77 F 0.44444444444444 0.55555555555556 0.07975801210788 18.998 > 55 78 F 0.77777777777778 0.55555555555556 0.07975801210788 18.998 > 55 79 F 0.11111111111111 0.88888888888889 0.07975801210788 18.998 > 55 80 F 0.44444444444444 0.88888888888889 0.07975801210788 18.998 > 55 81 F 0.77777777777778 0.88888888888889 0.07975801210788 18.998 > 55 82 F 0.11111111111111 0.22222222222222 0.25357532122545 18.998 > 64 83 F 0.44444444444444 0.22222222222222 0.25357532122545 18.998 > 64 84 F 0.77777777777778 0.22222222222222 0.25357532122545 18.998 > 64 85 F 0.11111111111111 0.55555555555556 0.25357532122545 18.998 > 64 86 F 0.44444444444444 0.55555555555556 0.25357532122545 18.998 > 64 87 F 0.77777777777778 0.55555555555556 0.25357532122545 18.998 > 64 88 F 0.11111111111111 0.88888888888889 0.25357532122545 18.998 > 64 89 F 0.44444444444444 0.88888888888889 0.25357532122545 18.998 > 64 90 F 0.77777777777778 0.88888888888889 0.25357532122545 18.998 > 64 91 F 0.00000000000000 0.00000000000000 0.41309134544122 18.998 > 55 92 F 0.33333333333333 0.00000000000000 0.41309134544122 18.998 > 55 93 F 0.66666666666667 0.00000000000000 0.41309134544122 18.998 > 55 94 F 0.00000000000000 0.33333333333333 0.41309134544122 18.998 > 55 95 F 0.33333333333333 0.33333333333333 0.41309134544122 18.998 > 55 96 F 0.66666666666667 0.33333333333333 0.41309134544122 18.998 > 55 97 F 0.00000000000000 0.66666666666667 0.41309134544122 18.998 > 55 98 F 0.33333333333333 0.66666666666667 0.41309134544122 18.998 > 55 99 F 0.66666666666667 0.66666666666667 0.41309134544122 18.998 > 55 100 F 0.00000000000000 0.00000000000000 0.58690865455878 18.998 > 64 101 F 0.33333333333333 0.00000000000000 0.58690865455878 18.998 > 64 102 F 0.66666666666667 0.00000000000000 0.58690865455878 18.998 > 64 103 F 0.00000000000000 0.33333333333333 0.58690865455878 18.998 > 64 104 F 0.33333333333333 0.33333333333333 0.58690865455878 18.998 > 64 105 F 0.66666666666667 0.33333333333333 0.58690865455878 18.998 > 64 106 F 0.00000000000000 0.66666666666667 0.58690865455878 18.998 > 64 107 F 0.33333333333333 0.66666666666667 0.58690865455878 18.998 > 64 108 F 0.66666666666667 0.66666666666667 0.58690865455878 18.998 > 64----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 1.8480798 0.0000000 0.0000000 0.0000000 1.8480798 0.0000000 0.0000000 0.0000000 2.1272974-------------------------- Born effective charges -------------------------- 1 H 0.3837548 0.0000000 0.0000000 -0.0000000 0.3837548 0.0000000 0.0000000 0.0000000 1.9883001 2 Li 1.0693382 0.0000000 0.0000000 0.0000000 1.0693382 0.0000000 0.0000000 0.0000000 1.0715937 3 F -0.7265465 -0.0000000 0.0000000 -0.0000000 -0.7265465 0.0000000 0.0000000 0.0000000 -1.5299469 4 F -0.7265465 -0.0000000 0.0000000 -0.0000000 -0.7265465 0.0000000 0.0000000 0.0000000 -1.5299469----------------------------------------------------------------------------Sets of supercell forces were read from "FORCES_FC3.xz".Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".----------------------------- Force constants ------------------------------Computing fc3[ 1, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 28, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 55, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 05:48:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 05:48:13]-------------------------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): [3 3 1]Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)------------------------------ primitive cell ------------------------------Lattice vectors: a 1.484368794351230 0.857000722995362 4.380710123333329 b -1.484368794351228 0.857000722995362 4.380710123333329 c 0.000000000000002 -1.714001445990726 4.380710123333329Atomic positions (fractional): 1 H 0.50000000000000 0.50000000000000 0.50000000000000 1.008 2 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 3 F 0.41309134544122 0.41309134544122 0.41309134544122 18.998 4 F 0.58690865455878 0.58690865455878 0.58690865455878 18.998-------------------------------- supercell ---------------------------------Lattice vectors: a 8.906212766107377 0.000000000000000 0.000000000000000 b -4.453106383053690 7.713006506958264 0.000000000000000 c 0.000000000000000 0.000000000000000 13.142130370000000Atomic positions (fractional): 1 H 0.22222222222222 0.11111111111111 0.83333333333333 1.008 > 1 2 H 0.55555555555556 0.11111111111111 0.83333333333333 1.008 > 1 3 H 0.88888888888889 0.11111111111111 0.83333333333333 1.008 > 1 4 H 0.22222222222222 0.44444444444444 0.83333333333333 1.008 > 1 5 H 0.55555555555556 0.44444444444444 0.83333333333333 1.008 > 1 6 H 0.88888888888889 0.44444444444444 0.83333333333333 1.008 > 1 7 H 0.22222222222222 0.77777777777778 0.83333333333333 1.008 > 1 8 H 0.55555555555556 0.77777777777778 0.83333333333333 1.008 > 1 9 H 0.88888888888889 0.77777777777778 0.83333333333333 1.008 > 1 10 H 0.11111111111111 0.22222222222222 0.16666666666667 1.008 > 1 11 H 0.44444444444444 0.22222222222222 0.16666666666667 1.008 > 1 12 H 0.77777777777778 0.22222222222222 0.16666666666667 1.008 > 1 13 H 0.11111111111111 0.55555555555556 0.16666666666667 1.008 > 1 14 H 0.44444444444444 0.55555555555556 0.16666666666667 1.008 > 1 15 H 0.77777777777778 0.55555555555556 0.16666666666667 1.008 > 1 16 H 0.11111111111111 0.88888888888889 0.16666666666667 1.008 > 1 17 H 0.44444444444444 0.88888888888889 0.16666666666667 1.008 > 1 18 H 0.77777777777778 0.88888888888889 0.16666666666667 1.008 > 1 19 H 0.00000000000000 0.00000000000000 0.50000000000000 1.008 > 1 20 H 0.33333333333333 0.00000000000000 0.50000000000000 1.008 > 1 21 H 0.66666666666667 0.00000000000000 0.50000000000000 1.008 > 1 22 H 0.00000000000000 0.33333333333333 0.50000000000000 1.008 > 1 23 H 0.33333333333333 0.33333333333333 0.50000000000000 1.008 > 1 24 H 0.66666666666667 0.33333333333333 0.50000000000000 1.008 > 1 25 H 0.00000000000000 0.66666666666667 0.50000000000000 1.008 > 1 26 H 0.33333333333333 0.66666666666667 0.50000000000000 1.008 > 1 27 H 0.66666666666667 0.66666666666667 0.50000000000000 1.008 > 1 28 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 28 29 Li 0.33333333333333 0.00000000000000 0.00000000000000 6.941 > 28 30 Li 0.66666666666667 0.00000000000000 0.00000000000000 6.941 > 28 31 Li 0.00000000000000 0.33333333333333 0.00000000000000 6.941 > 28 32 Li 0.33333333333333 0.33333333333333 0.00000000000000 6.941 > 28 33 Li 0.66666666666667 0.33333333333333 0.00000000000000 6.941 > 28 34 Li 0.00000000000000 0.66666666666667 0.00000000000000 6.941 > 28 35 Li 0.33333333333333 0.66666666666667 0.00000000000000 6.941 > 28 36 Li 0.66666666666667 0.66666666666667 0.00000000000000 6.941 > 28 37 Li 0.22222222222222 0.11111111111111 0.33333333333333 6.941 > 28 38 Li 0.55555555555556 0.11111111111111 0.33333333333333 6.941 > 28 39 Li 0.88888888888889 0.11111111111111 0.33333333333333 6.941 > 28 40 Li 0.22222222222222 0.44444444444444 0.33333333333333 6.941 > 28 41 Li 0.55555555555556 0.44444444444444 0.33333333333333 6.941 > 28 42 Li 0.88888888888889 0.44444444444444 0.33333333333333 6.941 > 28 43 Li 0.22222222222222 0.77777777777778 0.33333333333333 6.941 > 28 44 Li 0.55555555555556 0.77777777777778 0.33333333333333 6.941 > 28 45 Li 0.88888888888889 0.77777777777778 0.33333333333333 6.941 > 28 46 Li 0.11111111111111 0.22222222222222 0.66666666666667 6.941 > 28 47 Li 0.44444444444444 0.22222222222222 0.66666666666667 6.941 > 28 48 Li 0.77777777777778 0.22222222222222 0.66666666666667 6.941 > 28 49 Li 0.11111111111111 0.55555555555556 0.66666666666667 6.941 > 28 50 Li 0.44444444444444 0.55555555555556 0.66666666666667 6.941 > 28 51 Li 0.77777777777778 0.55555555555556 0.66666666666667 6.941 > 28 52 Li 0.11111111111111 0.88888888888889 0.66666666666667 6.941 > 28 53 Li 0.44444444444444 0.88888888888889 0.66666666666667 6.941 > 28 54 Li 0.77777777777778 0.88888888888889 0.66666666666667 6.941 > 28 55 F 0.22222222222222 0.11111111111111 0.74642467877455 18.998 > 55 56 F 0.55555555555556 0.11111111111111 0.74642467877455 18.998 > 55 57 F 0.88888888888889 0.11111111111111 0.74642467877455 18.998 > 55 58 F 0.22222222222222 0.44444444444444 0.74642467877455 18.998 > 55 59 F 0.55555555555556 0.44444444444444 0.74642467877455 18.998 > 55 60 F 0.88888888888889 0.44444444444444 0.74642467877455 18.998 > 55 61 F 0.22222222222222 0.77777777777778 0.74642467877455 18.998 > 55 62 F 0.55555555555556 0.77777777777778 0.74642467877455 18.998 > 55 63 F 0.88888888888889 0.77777777777778 0.74642467877455 18.998 > 55 64 F 0.22222222222222 0.11111111111111 0.92024198789212 18.998 > 64 65 F 0.55555555555556 0.11111111111111 0.92024198789212 18.998 > 64 66 F 0.88888888888889 0.11111111111111 0.92024198789212 18.998 > 64 67 F 0.22222222222222 0.44444444444444 0.92024198789212 18.998 > 64 68 F 0.55555555555556 0.44444444444444 0.92024198789212 18.998 > 64 69 F 0.88888888888889 0.44444444444444 0.92024198789212 18.998 > 64 70 F 0.22222222222222 0.77777777777778 0.92024198789212 18.998 > 64 71 F 0.55555555555556 0.77777777777778 0.92024198789212 18.998 > 64 72 F 0.88888888888889 0.77777777777778 0.92024198789212 18.998 > 64 73 F 0.11111111111111 0.22222222222222 0.07975801210788 18.998 > 55 74 F 0.44444444444444 0.22222222222222 0.07975801210788 18.998 > 55 75 F 0.77777777777778 0.22222222222222 0.07975801210788 18.998 > 55 76 F 0.11111111111111 0.55555555555556 0.07975801210788 18.998 > 55 77 F 0.44444444444444 0.55555555555556 0.07975801210788 18.998 > 55 78 F 0.77777777777778 0.55555555555556 0.07975801210788 18.998 > 55 79 F 0.11111111111111 0.88888888888889 0.07975801210788 18.998 > 55 80 F 0.44444444444444 0.88888888888889 0.07975801210788 18.998 > 55 81 F 0.77777777777778 0.88888888888889 0.07975801210788 18.998 > 55 82 F 0.11111111111111 0.22222222222222 0.25357532122545 18.998 > 64 83 F 0.44444444444444 0.22222222222222 0.25357532122545 18.998 > 64 84 F 0.77777777777778 0.22222222222222 0.25357532122545 18.998 > 64 85 F 0.11111111111111 0.55555555555556 0.25357532122545 18.998 > 64 86 F 0.44444444444444 0.55555555555556 0.25357532122545 18.998 > 64 87 F 0.77777777777778 0.55555555555556 0.25357532122545 18.998 > 64 88 F 0.11111111111111 0.88888888888889 0.25357532122545 18.998 > 64 89 F 0.44444444444444 0.88888888888889 0.25357532122545 18.998 > 64 90 F 0.77777777777778 0.88888888888889 0.25357532122545 18.998 > 64 91 F 0.00000000000000 0.00000000000000 0.41309134544122 18.998 > 55 92 F 0.33333333333333 0.00000000000000 0.41309134544122 18.998 > 55 93 F 0.66666666666667 0.00000000000000 0.41309134544122 18.998 > 55 94 F 0.00000000000000 0.33333333333333 0.41309134544122 18.998 > 55 95 F 0.33333333333333 0.33333333333333 0.41309134544122 18.998 > 55 96 F 0.66666666666667 0.33333333333333 0.41309134544122 18.998 > 55 97 F 0.00000000000000 0.66666666666667 0.41309134544122 18.998 > 55 98 F 0.33333333333333 0.66666666666667 0.41309134544122 18.998 > 55 99 F 0.66666666666667 0.66666666666667 0.41309134544122 18.998 > 55 100 F 0.00000000000000 0.00000000000000 0.58690865455878 18.998 > 64 101 F 0.33333333333333 0.00000000000000 0.58690865455878 18.998 > 64 102 F 0.66666666666667 0.00000000000000 0.58690865455878 18.998 > 64 103 F 0.00000000000000 0.33333333333333 0.58690865455878 18.998 > 64 104 F 0.33333333333333 0.33333333333333 0.58690865455878 18.998 > 64 105 F 0.66666666666667 0.33333333333333 0.58690865455878 18.998 > 64 106 F 0.00000000000000 0.66666666666667 0.58690865455878 18.998 > 64 107 F 0.33333333333333 0.66666666666667 0.58690865455878 18.998 > 64 108 F 0.66666666666667 0.66666666666667 0.58690865455878 18.998 > 64----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 1.8480798 0.0000000 0.0000000 0.0000000 1.8480798 0.0000000 0.0000000 0.0000000 2.1272974-------------------------- Born effective charges -------------------------- 1 H 0.3837548 0.0000000 0.0000000 -0.0000000 0.3837548 0.0000000 0.0000000 0.0000000 1.9883001 2 Li 1.0693382 0.0000000 0.0000000 0.0000000 1.0693382 0.0000000 0.0000000 0.0000000 1.0715937 3 F -0.7265465 -0.0000000 0.0000000 -0.0000000 -0.7265465 0.0000000 0.0000000 0.0000000 -1.5299469 4 F -0.7265465 -0.0000000 0.0000000 -0.0000000 -0.7265465 0.0000000 0.0000000 0.0000000 -1.5299469----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz)Max drift of fc2: 0.00000000 (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 ... [ 20 20 20 ]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: 1.29, Number of G-points: 299, Lambda: 0.19Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/781) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 781Calculating 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 4.830 ( 0.000 0.000 0.000) 0.000 4.830 ( 0.000 0.000 0.000) 0.000 9.283 ( 0.000 0.000 0.000) 0.000 9.283 ( 0.000 0.000 0.000) 0.000 9.996 ( 0.000 0.000 0.000) 0.000 20.248 ( 0.000 0.000 0.000) 0.000 33.783 ( 0.000 0.000 0.000) 0.000 33.783 ( 0.000 0.000 0.000) 0.000 53.735 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/781) =======================q-point: ( 0.05 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.397 ( 6.763 3.904 75.341) 75.744 0.629 ( 27.705 15.995 1.188) 32.013 1.124 ( 48.585 28.050 6.218) 56.444 4.845 ( 1.355 0.782 -0.238) 1.583 4.944 ( 9.883 5.706 -0.195) 11.413 9.292 ( 0.927 0.535 -0.807) 1.341 9.915 ( 4.774 2.756 -30.394) 30.890 14.632 ( -14.264 -8.235 89.790) 91.289 20.230 ( -1.035 -0.598 -3.030) 3.257 33.796 ( 1.147 0.662 -0.285) 1.355 35.653 ( 17.825 10.291 -85.594) 88.034 54.627 ( -98.697 -56.983 511.197) 523.747======================= Grid point 2 (3/781) =======================q-point: ( 0.10 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.895 ( 13.935 8.045 64.670) 66.642 1.251 ( 27.244 15.730 1.455) 31.493 2.220 ( 46.771 27.003 6.160) 54.357 4.887 ( 2.482 1.433 -0.510) 2.911 5.250 ( 16.813 9.707 -0.014) 19.414 9.319 ( 1.834 1.059 -1.389) 2.532 9.901 ( 0.285 0.164 -7.344) 7.352 14.662 ( -3.944 -2.277 33.340) 33.649 20.181 ( -1.840 -1.063 -5.438) 5.838 33.832 ( 2.227 1.285 -0.487) 2.617 35.763 ( 12.852 7.420 -37.896) 40.698 54.232 ( -66.290 -38.273 256.744) 267.912======================= Grid point 3 (4/781) =======================q-point: ( 0.15 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.504 ( 19.550 11.287 55.388) 59.812 1.860 ( 26.363 15.220 1.792) 30.494 3.262 ( 43.752 25.260 6.178) 50.896 4.949 ( 3.204 1.850 -0.821) 3.790 5.673 ( 20.347 11.747 0.387) 23.498 9.364 ( 2.673 1.543 -1.598) 3.476 9.869 ( -2.351 -1.357 2.551) 3.725 14.706 ( 0.284 0.164 10.843) 10.848 20.110 ( -2.271 -1.311 -6.820) 7.307 33.891 ( 3.161 1.825 -0.551) 3.691 35.939 ( 12.522 7.229 -20.257) 24.888 53.623 ( -59.920 -34.595 171.313) 184.758======================= Grid point 4 (5/781) =======================q-point: ( 0.20 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.178 ( 22.526 13.006 48.161) 54.736 2.445 ( 24.938 14.398 2.076) 28.871 4.224 ( 39.589 22.857 6.462) 46.167 5.021 ( 3.421 1.975 -1.136) 4.110 6.147 ( 21.349 12.326 0.627) 24.660 9.426 ( 3.365 1.943 -1.411) 4.133 9.811 ( -4.617 -2.666 7.657) 9.330 14.755 ( 2.427 1.401 -1.600) 3.228 20.031 ( -2.312 -1.335 -7.112) 7.596 33.969 ( 3.857 2.227 -0.473) 4.479 36.166 ( 12.832 7.408 -10.609) 18.223 52.870 ( -57.054 -32.940 127.035) 143.102======================= Grid point 5 (6/781) =======================q-point: ( 0.25 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.866 ( 23.175 13.380 41.841) 49.667 2.991 ( 22.878 13.208 2.211) 26.509 5.083 ( 34.461 19.896 7.228) 40.443 5.090 ( 3.103 1.792 -1.398) 3.846 6.623 ( 20.578 11.881 0.430) 23.765 9.502 ( 3.799 2.193 -0.934) 4.485 9.718 ( -6.630 -3.828 9.317) 12.059 14.801 ( 3.315 1.914 -8.444) 9.271 19.955 ( -2.061 -1.190 -6.553) 6.972 34.058 ( 4.219 2.436 -0.294) 4.880 36.427 ( 12.789 7.384 -4.667) 15.488 52.056 ( -52.949 -30.570 98.123) 115.612======================= Grid point 6 (7/781) =======================q-point: ( 0.30 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.484 ( 20.147 11.632 2.157) 23.363 3.522 ( 21.854 12.617 35.325) 43.412 5.146 ( 2.286 1.320 -1.545) 3.058 5.822 ( 28.657 16.545 8.509) 34.166 7.064 ( 18.435 10.644 -0.209) 21.288 9.584 ( -8.169 -4.717 8.110) 12.440 9.587 ( 3.866 2.232 -0.362) 4.479 14.838 ( 3.341 1.929 -11.181) 11.828 19.891 ( -1.655 -0.955 -5.504) 5.826 34.153 ( 4.167 2.406 -0.088) 4.812 36.696 ( 11.953 6.901 -1.072) 13.844 51.266 ( -46.291 -26.726 75.817) 92.765======================= Grid point 7 (8/781) =======================q-point: ( 0.35 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.907 ( 16.752 9.672 1.929) 19.440 4.102 ( 18.738 10.818 27.900) 35.306 5.178 ( 1.076 0.621 -1.542) 1.980 6.432 ( 22.430 12.950 9.790) 27.688 7.441 ( 15.193 8.772 -0.908) 17.567 9.416 ( -8.883 -5.128 4.896) 11.365 9.670 ( 3.488 2.014 0.100) 4.029 14.865 ( 2.803 1.618 -10.787) 11.263 19.840 ( -1.201 -0.693 -4.245) 4.466 34.241 ( 3.662 2.114 0.071) 4.229 36.946 ( 10.140 5.854 0.780) 11.734 50.577 ( -37.054 -21.393 56.261) 70.682======================= Grid point 8 (9/781) =======================q-point: ( 0.40 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.245 ( 12.619 7.286 1.556) 14.654 4.561 ( 13.885 8.017 19.340) 25.122 5.182 ( -0.245 -0.141 -1.355) 1.385 6.899 ( 15.752 9.094 9.713) 20.619 7.735 ( 11.187 6.459 -1.027) 12.958 9.231 ( -8.315 -4.801 1.144) 9.669 9.740 ( 2.652 1.531 0.310) 3.078 14.882 ( 1.955 1.129 -8.222) 8.527 19.804 ( -0.761 -0.439 -2.896) 3.026 34.314 ( 2.728 1.575 0.136) 3.153 37.149 ( 7.380 4.261 1.298) 8.620 50.046 ( -25.783 -14.886 37.557) 47.926======================= Grid point 9 (10/781) =======================q-point: ( 0.45 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.477 ( 7.273 4.199 0.966) 8.453 4.859 ( 7.453 4.303 9.886) 13.107 5.162 ( -0.938 -0.541 -0.889) 1.401 7.203 ( 8.276 4.778 6.463) 11.537 7.931 ( 6.395 3.692 -0.367) 7.393 9.069 ( -5.620 -3.245 -0.986) 6.564 9.788 ( 1.435 0.828 0.243) 1.674 14.891 ( 0.988 0.570 -4.387) 4.533 19.783 ( -0.363 -0.209 -1.475) 1.533 34.362 ( 1.457 0.841 0.100) 1.685 37.281 ( 3.888 2.245 0.889) 4.577 49.714 ( -13.201 -7.622 18.863) 24.252======================= Grid point 10 (11/781) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1062Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.563 ( 0.000 0.000 0.000) 0.000 4.963 ( 0.000 0.000 0.000) 0.000 5.147 ( 0.000 0.000 0.000) 0.000 7.310 ( 0.000 0.000 0.000) 0.000 8.006 ( 0.000 0.000 0.000) 0.000 8.999 ( 0.000 0.000 0.000) 0.000 9.805 ( 0.000 0.000 0.000) 0.000 14.894 ( 0.000 0.000 0.000) 0.000 19.777 ( 0.000 0.000 0.000) 0.000 34.379 ( 0.000 0.000 0.000) 0.000 37.327 ( 0.000 0.000 0.000) 0.000 49.601 ( 0.000 0.000 0.000) 0.000======================= Grid point 22 (12/781) =======================q-point: ( 0.05 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2110Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.646 ( -0.000 31.498 4.125) 31.767 0.687 ( -0.000 7.354 72.907) 73.277 1.163 ( -0.000 51.982 18.923) 55.319 4.847 ( -0.000 1.695 0.205) 1.707 4.947 ( -0.000 11.719 0.175) 11.721 9.301 ( -0.000 1.523 0.870) 1.754 9.789 ( 0.000 16.163 -35.213) 38.745 15.002 ( -0.000 -49.607 109.864) 120.544 20.216 ( 0.000 -1.609 -4.149) 4.450 33.801 ( -0.000 1.554 0.655) 1.686 35.267 ( 0.000 45.185 -103.716) 113.132 57.135 ( -0.000 -307.489 753.582) 813.901======================= Grid point 23 (13/781) =======================q-point: ( 0.10 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.085 ( 5.952 9.406 68.148) 69.051 1.109 ( 15.034 26.921 7.040) 31.628 1.972 ( 26.357 45.204 13.935) 54.151 4.888 ( 1.465 3.320 -0.407) 3.652 5.148 ( 8.109 14.983 0.924) 17.062 9.320 ( -0.089 2.527 0.083) 2.530 9.852 ( 2.993 6.219 -13.408) 15.080 14.836 ( -7.645 -21.814 48.511) 53.737 20.168 ( -1.061 -1.932 -6.503) 6.867 33.828 ( 0.677 2.534 0.376) 2.649 35.464 ( 14.098 22.532 -55.836) 61.840 56.128 ( -82.394 -140.809 416.397) 447.216======================= Grid point 24 (14/781) =======================q-point: ( 0.15 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.587 ( 11.737 11.572 63.335) 65.445 1.678 ( 19.327 24.561 4.743) 31.611 2.937 ( 33.425 37.807 10.888) 51.625 4.952 ( 1.330 5.237 -0.785) 5.460 5.501 ( 14.954 15.451 1.386) 21.547 9.353 ( 0.848 3.251 -0.686) 3.429 9.889 ( 0.180 1.120 0.124) 1.141 14.725 ( -1.612 -10.399 14.673) 18.056 20.098 ( -1.567 -1.991 -8.149) 8.534 33.877 ( 1.627 3.537 0.053) 3.893 35.711 ( 13.821 13.891 -30.326) 36.106 55.046 ( -71.753 -80.848 256.904) 278.720======================= Grid point 25 (15/781) =======================q-point: ( 0.20 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.176 ( 16.844 13.687 52.889) 57.170 2.259 ( 19.745 22.401 6.953) 30.659 3.889 ( 34.266 31.882 9.607) 47.780 5.027 ( 1.097 6.604 -1.072) 6.780 5.939 ( 18.502 14.575 1.585) 23.607 9.406 ( 1.756 3.776 -0.868) 4.254 9.880 ( -2.651 -1.824 7.513) 8.173 14.678 ( 2.908 -6.026 -4.153) 7.876 20.019 ( -1.658 -1.898 -8.580) 8.942 33.950 ( 2.315 4.538 -0.047) 5.094 35.973 ( 13.711 10.649 -16.401) 23.882 54.049 ( -64.507 -59.916 179.229) 199.685======================= Grid point 26 (16/781) =======================q-point: ( 0.25 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.793 ( 19.946 17.203 21.477) 33.986 2.836 ( 18.318 17.522 30.599) 39.735 4.772 ( 32.211 26.533 9.334) 42.763 5.106 ( 0.517 7.623 -1.338) 7.757 6.403 ( 19.636 12.912 1.335) 23.539 9.477 ( 2.400 3.992 -0.536) 4.688 9.820 ( -5.261 -3.796 10.379) 12.240 14.668 ( 5.858 -4.252 -14.749) 16.430 19.943 ( -1.443 -1.717 -8.007) 8.315 34.041 ( 2.605 5.476 0.015) 6.064 36.253 ( 13.762 8.716 -8.025) 18.160 53.069 ( -59.387 -49.143 133.695) 154.325======================= Grid point 27 (17/781) =======================q-point: ( 0.30 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.324 ( 17.621 18.698 3.465) 25.925 3.448 ( 18.990 13.130 40.876) 46.945 5.177 ( -0.527 8.180 -1.288) 8.298 5.556 ( 28.474 21.562 9.578) 36.978 6.850 ( 19.012 10.794 0.590) 21.871 9.554 ( 2.272 2.643 0.730) 3.561 9.712 ( -7.090 -3.747 8.916) 11.992 14.677 ( 7.605 -3.744 -19.679) 21.427 19.878 ( -1.054 -1.529 -6.807) 7.056 34.142 ( 2.425 6.246 0.154) 6.702 36.539 ( 13.391 6.901 -2.875) 15.336 52.125 ( -53.464 -40.901 102.325) 122.482======================= Grid point 28 (18/781) =======================q-point: ( 0.35 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.781 ( 14.586 16.762 2.922) 22.411 4.015 ( 17.495 10.567 33.010) 38.825 5.233 ( -2.121 8.856 -1.136) 9.177 6.219 ( 23.760 16.372 10.138) 30.584 7.249 ( 17.008 8.432 -0.325) 18.986 9.514 ( -6.878 -7.287 6.331) 11.853 9.673 ( 0.385 5.456 0.532) 5.496 14.699 ( 8.398 -3.954 -20.436) 22.445 19.826 ( -0.593 -1.371 -5.320) 5.526 34.242 ( 1.748 6.741 0.282) 6.969 36.809 ( 12.226 4.832 0.059) 13.146 51.270 ( -45.616 -32.966 77.600) 95.861======================= Grid point 29 (19/781) =======================q-point: ( 0.40 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.159 ( 10.950 14.290 2.664) 18.199 4.477 ( 14.015 6.690 23.730) 28.360 5.269 ( -4.043 9.855 -0.477) 10.663 6.745 ( 18.170 10.997 9.536) 23.281 7.579 ( 13.958 5.976 -0.686) 15.199 9.323 ( -8.448 -7.173 2.689) 11.404 9.745 ( 0.996 5.408 0.214) 5.504 14.726 ( 8.470 -4.543 -18.349) 20.714 19.791 ( -0.114 -1.233 -3.743) 3.943 34.330 ( 0.617 6.878 0.338) 6.914 37.037 ( 10.133 2.465 1.344) 10.515 50.554 ( -35.765 -24.831 55.985) 70.922======================= Grid point 30 (20/781) =======================q-point: ( 0.45 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.441 ( 6.441 11.253 2.159) 13.144 4.782 ( 8.870 1.339 13.612) 16.302 5.288 ( -5.923 11.556 0.698) 13.004 7.107 ( 11.545 5.393 6.060) 14.110 7.826 ( 10.005 3.329 0.097) 10.545 9.131 ( -6.917 -5.428 -0.328) 8.799 9.805 ( -0.007 4.843 0.165) 4.846 14.755 ( 8.051 -5.242 -14.618) 17.492 19.770 ( 0.344 -1.088 -2.157) 2.440 34.396 ( -0.851 6.624 0.300) 6.685 37.201 ( 7.189 -0.069 1.433) 7.330 50.019 ( -24.306 -16.585 35.816) 46.353======================= Grid point 31 (21/781) =======================q-point: ( 0.50 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.598 ( 0.297 7.216 1.064) 7.300 4.905 ( 3.094 -3.395 4.898) 6.715 5.298 ( -7.337 12.635 0.727) 14.629 7.275 ( 3.911 0.013 -0.352) 3.927 7.969 ( 4.428 -0.133 0.982) 4.538 9.008 ( -2.400 -2.161 -0.328) 3.247 9.837 ( -1.421 4.100 -0.052) 4.340 14.784 ( 7.318 -5.848 -10.161) 13.820 19.764 ( 0.754 -0.914 -0.611) 1.333 34.430 ( -2.479 6.000 0.195) 6.495 37.285 ( 3.638 -2.555 0.776) 4.513 49.692 ( -11.777 -8.490 16.497) 21.975======================= Grid point 32 (22/781) =======================q-point: (-0.45 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.589 ( -7.030 2.483 -0.586) 7.478 4.865 ( -3.447 -6.044 -1.956) 7.228 5.291 ( -7.440 11.970 -0.613) 14.107 7.238 ( -4.048 -4.372 -6.552) 8.857 7.970 ( -2.291 -3.986 1.016) 4.709 9.017 ( 3.508 1.195 1.106) 3.867 9.836 ( -2.905 3.255 -0.299) 4.373 14.810 ( 6.336 -6.263 -5.611) 10.529 19.773 ( 1.121 -0.688 0.829) 1.555 34.430 ( -4.057 5.082 0.078) 6.503 37.279 ( -0.171 -4.752 -0.159) 4.758 49.585 ( 1.264 -0.841 -1.947) 2.469======================= Grid point 33 (23/781) =======================q-point: (-0.40 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.419 ( -12.926 -1.091 -1.876) 13.107 4.641 ( -12.184 -8.142 -10.651) 18.116 5.285 ( -6.002 10.092 -0.035) 11.742 7.015 ( -11.670 -7.533 -9.488) 16.821 7.834 ( -7.760 -6.942 1.255) 10.488 9.135 ( 7.132 2.715 0.110) 7.632 9.802 ( -4.195 2.454 -0.399) 4.877 14.831 ( 5.095 -6.478 -1.465) 8.370 19.795 ( 1.482 -0.393 2.104) 2.604 34.394 ( -5.379 3.985 0.014) 6.694 37.188 ( -3.844 -6.440 -0.905) 7.554 49.702 ( 14.197 6.038 -19.232) 24.655======================= Grid point 34 (24/781) =======================q-point: (-0.35 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.129 ( -17.336 -3.804 -3.569) 18.104 4.229 ( -19.384 -9.568 -18.016) 28.140 5.276 ( -5.754 7.864 0.798) 9.777 6.635 ( -18.931 -9.920 -9.146) 23.247 7.590 ( -12.279 -9.247 1.181) 15.417 9.292 ( 8.502 2.879 -2.851) 9.418 9.742 ( -5.103 1.899 -0.245) 5.451 14.842 ( 3.597 -6.512 1.740) 7.640 19.831 ( 1.874 -0.040 3.194) 3.704 34.328 ( -6.285 2.843 0.044) 6.898 37.023 ( -7.005 -7.453 -1.040) 10.281 50.028 ( 26.256 11.753 -35.126) 45.402======================= Grid point 35 (25/781) =======================q-point: (-0.30 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.667 ( -23.094 -11.398 -26.542) 36.983 3.755 ( -22.193 -4.876 -1.866) 22.798 5.246 ( -6.245 5.925 1.161) 8.686 6.118 ( -26.094 -11.976 -7.317) 29.629 7.254 ( -16.184 -10.852 0.599) 19.495 9.444 ( 8.371 2.041 -5.526) 10.236 9.671 ( -5.337 2.005 -0.001) 5.701 14.837 ( 1.941 -6.353 3.382) 7.454 19.882 ( 2.299 0.328 4.106) 4.717 34.241 ( -6.683 1.785 0.169) 6.920 36.807 ( -9.343 -7.706 -0.230) 12.113 50.533 ( 36.492 15.840 -49.633) 63.608======================= Grid point 36 (26/781) =======================q-point: (-0.25 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.023 ( -26.398 -11.706 -31.162) 42.485 3.297 ( -25.047 -6.092 -1.809) 25.840 5.191 ( -6.744 4.152 1.120) 7.999 5.470 ( -33.089 -13.506 -5.377) 36.142 6.846 ( -19.231 -11.457 -0.019) 22.385 9.535 ( 1.190 -1.026 -2.711) 3.133 9.638 ( 1.100 4.262 -3.603) 5.688 14.808 ( 0.319 -5.942 2.894) 6.617 19.946 ( 2.707 0.637 4.778) 5.528 34.143 ( -6.561 0.914 0.344) 6.633 36.567 ( -10.668 -7.208 1.725) 12.990 51.166 ( 43.845 17.817 -62.967) 78.770======================= Grid point 37 (27/781) =======================q-point: (-0.20 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.329 ( -27.806 -10.981 -33.838) 45.152 2.784 ( -27.642 -6.726 -1.624) 28.494 4.695 ( -39.616 -14.803 -4.206) 42.499 5.120 ( -6.951 3.278 1.128) 7.768 6.394 ( -21.212 -10.922 -0.278) 23.861 9.484 ( -3.866 -0.583 0.640) 3.962 9.726 ( 5.294 3.037 -5.688) 8.343 14.753 ( -1.042 -5.201 0.001) 5.305 20.020 ( 2.995 0.805 4.995) 5.879 34.044 ( -5.976 0.293 0.491) 6.003 36.331 ( -10.916 -6.050 4.837) 13.385 51.849 ( 47.273 17.270 -75.149) 90.445======================= Grid point 38 (28/781) =======================q-point: (-0.15 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.630 ( -27.651 -9.075 -34.465) 45.108 2.229 ( -29.706 -6.526 -1.191) 30.437 3.818 ( -45.785 -14.075 -3.222) 48.007 5.038 ( -6.361 2.258 0.825) 6.800 5.929 ( -21.889 -9.136 -0.167) 23.720 9.417 ( -3.792 -0.249 1.105) 3.957 9.816 ( 4.480 1.981 -3.107) 5.801 14.673 ( -2.003 -4.067 -4.931) 6.698 20.097 ( 3.022 0.762 4.422) 5.410 33.954 ( -5.030 -0.055 0.524) 5.057 36.127 ( -10.090 -4.353 8.712) 14.023 52.488 ( 45.720 13.901 -84.542) 97.114======================= Grid point 39 (29/781) =======================q-point: (-0.10 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.978 ( -25.910 -5.667 -30.045) 40.077 1.654 ( -31.295 -4.931 -0.622) 31.687 2.869 ( -51.116 -10.363 -2.128) 52.199 4.959 ( -5.276 1.331 0.467) 5.461 5.493 ( -20.742 -5.728 0.035) 21.518 9.361 ( -3.075 -0.071 0.858) 3.193 9.892 ( 3.407 1.078 0.722) 3.646 14.572 ( -2.737 -2.461 -9.514) 10.202 20.166 ( 2.681 0.480 2.771) 3.886 33.879 ( -3.842 -0.144 0.370) 3.862 35.979 ( -8.074 -2.227 11.280) 14.050 52.985 ( 37.630 7.645 -80.832) 89.489======================= Grid point 40 (30/781) =======================q-point: (-0.05 0.05 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2110Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.466 ( -21.892 -0.000 0.000) 21.892 1.088 ( -32.236 -0.000 0.000) 32.236 1.908 ( -55.102 -0.000 0.000) 55.102 4.891 ( -3.644 -0.000 0.000) 3.644 5.142 ( -16.885 -0.000 0.000) 16.885 9.319 ( -2.120 -0.000 0.000) 2.120 9.953 ( 2.563 0.000 -0.000) 2.563 14.478 ( -3.313 -0.000 0.000) 3.313 20.214 ( 1.967 0.000 -0.000) 1.967 33.825 ( -2.529 -0.000 0.000) 2.529 35.890 ( -4.976 -0.000 0.000) 4.976 53.330 ( 23.223 0.000 -0.000) 23.223======================= Grid point 43 (31/781) =======================q-point: ( 0.10 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.286 ( -0.000 30.939 4.326) 31.240 1.400 ( -0.000 11.240 66.841) 67.780 2.302 ( -0.000 50.315 18.676) 53.669 4.897 ( -0.000 3.099 0.292) 3.113 5.267 ( -0.000 19.970 1.130) 20.002 9.353 ( -0.000 2.706 1.487) 3.088 9.853 ( 0.000 7.754 -9.786) 12.485 14.804 ( -0.000 -26.915 33.218) 42.754 20.128 ( 0.000 -2.708 -7.372) 7.854 33.852 ( -0.000 2.921 1.206) 3.160 35.400 ( 0.000 27.159 -46.341) 53.712 56.778 ( -0.000 -172.197 379.339) 416.593======================= Grid point 44 (32/781) =======================q-point: ( 0.15 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.698 ( 10.697 29.144 4.699) 31.398 1.811 ( 5.570 13.026 62.686) 64.267 2.989 ( 15.470 46.434 16.449) 51.633 4.960 ( 2.911 4.265 -0.274) 5.171 5.519 ( 5.120 21.271 2.170) 21.985 9.384 ( -0.174 3.535 0.998) 3.677 9.900 ( 0.722 3.727 -1.077) 3.946 14.644 ( -0.440 -19.682 10.126) 22.138 20.063 ( -0.810 -2.748 -8.664) 9.125 33.896 ( 0.893 3.875 1.073) 4.119 35.570 ( 8.160 21.223 -31.138) 38.556 56.110 ( -45.626 -127.107 283.245) 313.792======================= Grid point 45 (33/781) =======================q-point: ( 0.20 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4004Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.210 ( 14.610 26.333 7.604) 31.059 2.315 ( 11.202 15.127 54.199) 57.375 3.798 ( 22.736 40.162 13.788) 48.166 5.062 ( 2.985 6.564 -0.961) 7.275 5.861 ( 10.434 19.473 2.899) 22.282 9.428 ( 0.543 4.409 0.373) 4.458 9.925 ( -1.091 -0.489 6.419) 6.530 14.505 ( 3.186 -13.971 -8.606) 16.715 19.986 ( -1.069 -2.475 -9.284) 9.668 33.967 ( 1.833 5.256 0.780) 5.621 35.820 ( 10.903 15.975 -18.936) 27.068 55.104 ( -56.382 -92.406 209.757) 236.042======================= Grid point 46 (34/781) =======================q-point: ( 0.25 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.746 ( 15.905 24.469 8.141) 30.298 2.877 ( 14.514 15.534 46.914) 51.506 4.614 ( 25.164 33.489 12.141) 43.614 5.175 ( 1.722 9.271 -1.366) 9.528 6.256 ( 14.256 16.102 2.815) 21.690 9.491 ( 1.286 4.841 0.361) 5.022 9.898 ( -3.607 -3.631 10.283) 11.487 14.414 ( 7.078 -10.856 -21.086) 24.750 19.911 ( -0.939 -2.168 -8.934) 9.241 34.065 ( 2.322 6.846 0.635) 7.257 36.095 ( 12.053 12.094 -10.293) 19.937 54.045 ( -57.494 -71.650 159.607) 184.156======================= Grid point 47 (35/781) =======================q-point: ( 0.30 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4004Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.272 ( 15.390 23.367 5.906) 28.596 3.446 ( 15.620 13.823 41.723) 46.647 5.277 ( 1.774 11.580 0.640) 11.732 5.385 ( 22.772 27.073 9.281) 36.574 6.663 ( 16.149 12.345 2.013) 20.426 9.561 ( 1.235 3.549 1.501) 4.046 9.815 ( -5.627 -4.254 9.543) 11.867 14.369 ( 10.234 -9.494 -27.691) 31.011 19.846 ( -0.597 -1.947 -7.826) 8.087 34.180 ( 2.175 8.473 0.622) 8.770 36.377 ( 12.510 8.660 -4.470) 15.858 53.005 ( -55.067 -57.408 123.677) 147.051======================= Grid point 48 (36/781) =======================q-point: ( 0.35 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.754 ( 13.124 21.924 4.479) 25.942 3.974 ( 15.027 10.873 34.815) 39.447 5.384 ( -2.015 13.493 -0.398) 13.648 6.047 ( 21.930 20.761 10.307) 31.909 7.046 ( 16.361 8.766 0.860) 18.581 9.559 ( -3.904 -5.965 5.933) 9.275 9.752 ( -2.484 4.376 2.572) 5.651 14.360 ( 12.411 -9.289 -29.427) 33.260 19.795 ( -0.158 -1.836 -6.280) 6.545 34.303 ( 1.339 9.935 0.653) 10.046 36.644 ( 12.270 5.207 -0.831) 13.355 52.031 ( -50.034 -45.774 95.674) 117.270======================= Grid point 49 (37/781) =======================q-point: ( 0.40 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4004Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.167 ( 9.747 19.834 3.881) 22.438 4.412 ( 12.495 6.937 25.875) 29.559 5.473 ( -4.297 15.680 0.780) 16.276 6.591 ( 17.955 13.747 8.957) 24.323 7.385 ( 15.185 5.680 0.166) 16.213 9.392 ( -7.595 -9.196 3.991) 12.578 9.808 ( -0.262 7.973 0.452) 7.990 14.379 ( 13.625 -9.784 -27.696) 32.380 19.758 ( 0.327 -1.784 -4.553) 4.901 34.419 ( -0.128 11.021 0.652) 11.041 36.878 ( 11.206 1.672 1.089) 11.382 51.172 ( -42.647 -35.263 71.988) 90.799======================= Grid point 50 (38/781) =======================q-point: ( 0.45 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.491 ( 5.578 16.979 3.194) 18.155 4.713 ( 8.080 2.559 16.356) 18.422 5.549 ( -6.643 17.473 2.189) 18.821 6.977 ( 12.795 6.463 5.071) 15.205 7.665 ( 12.679 2.991 0.845) 13.054 9.188 ( -7.179 -7.630 0.577) 10.492 9.879 ( -0.996 8.133 0.292) 8.199 14.416 ( 14.049 -10.532 -23.921) 29.674 19.736 ( 0.829 -1.719 -2.810) 3.397 34.513 ( -2.062 11.549 0.579) 11.746 37.057 ( 9.280 -1.765 1.688) 9.596 50.468 ( -33.253 -25.481 50.718) 65.783======================= Grid point 51 (39/781) =======================q-point: ( 0.50 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4004Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.697 ( 0.334 12.521 1.162) 12.579 4.862 ( 2.847 -0.330 9.493) 9.916 5.598 ( -9.222 17.934 1.883) 20.254 7.181 ( 6.788 0.041 -1.144) 6.884 7.865 ( 8.263 -0.247 2.053) 8.518 9.031 ( -3.984 -4.297 -0.416) 5.875 9.929 ( -2.472 7.716 0.107) 8.103 14.464 ( 13.880 -11.120 -19.205) 26.175 19.731 ( 1.306 -1.592 -1.170) 2.368 34.575 ( -4.211 11.408 0.443) 12.169 37.165 ( 6.595 -4.814 1.370) 8.280 49.951 ( -22.298 -16.453 31.073) 41.635======================= Grid point 52 (40/781) =======================q-point: (-0.45 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.736 ( -5.552 5.032 -2.594) 7.929 4.888 ( -3.214 -0.078 6.133) 6.925 5.596 ( -11.383 17.270 -0.476) 20.690 7.203 ( 0.279 -4.160 -6.631) 7.833 7.939 ( 1.937 -4.187 2.029) 5.040 8.983 ( 1.226 -0.753 0.727) 1.611 9.945 ( -4.128 6.935 -0.131) 8.071 14.520 ( 13.211 -11.278 -14.261) 22.474 19.740 ( 1.729 -1.374 0.265) 2.224 34.595 ( -6.277 10.585 0.289) 12.310 37.194 ( 3.381 -7.181 0.563) 7.957 49.639 ( -10.271 -8.342 12.992) 18.544======================= Grid point 53 (41/781) =======================q-point: (-0.40 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4004Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.603 ( -10.374 -0.838 -5.893) 11.960 4.772 ( -12.149 -0.993 1.397) 12.269 5.560 ( -11.283 16.059 -1.567) 19.689 7.068 ( -6.613 -6.110 -8.884) 12.648 7.869 ( -4.022 -7.428 1.684) 8.613 9.048 ( 5.367 1.010 0.717) 5.508 9.924 ( -5.571 5.938 -0.274) 8.147 14.579 ( 12.006 -10.927 -9.564) 18.842 19.764 ( 2.104 -1.053 1.419) 2.748 34.572 ( -7.973 9.171 0.174) 12.154 37.145 ( -0.046 -8.634 -0.302) 8.639 49.543 ( 2.262 -1.375 -3.170) 4.130======================= Grid point 54 (42/781) =======================q-point: (-0.35 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.324 ( -15.511 -6.000 -11.130) 20.011 4.483 ( -19.999 -0.594 -1.857) 20.094 5.521 ( -10.267 13.732 -0.672) 17.159 6.799 ( -13.958 -6.864 -8.072) 17.524 7.681 ( -8.865 -9.762 1.402) 13.261 9.170 ( 7.378 1.338 -1.224) 7.598 9.873 ( -6.523 4.925 -0.201) 8.176 14.636 ( 10.191 -10.124 -5.536) 15.395 19.801 ( 2.470 -0.647 2.269) 3.416 34.508 ( -9.080 7.348 0.140) 11.681 37.027 ( -3.329 -9.056 -0.831) 9.684 49.661 ( 14.567 4.145 -16.904) 22.696======================= Grid point 55 (43/781) =======================q-point: (-0.30 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4004Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.871 ( -22.599 -8.965 -17.358) 29.873 4.108 ( -23.040 -0.334 -1.605) 23.098 5.470 ( -9.919 10.793 0.201) 14.659 6.403 ( -21.732 -7.327 -5.881) 23.676 7.398 ( -13.054 -11.030 0.819) 17.110 9.304 ( 8.002 1.081 -3.389) 8.758 9.803 ( -6.807 4.081 0.062) 7.937 14.680 ( 7.778 -8.942 -2.606) 12.135 19.852 ( 2.852 -0.216 2.825) 4.020 34.413 ( -9.484 5.351 0.187) 10.891 36.857 ( -6.117 -8.459 -0.737) 10.465 49.977 ( 25.676 7.850 -27.675) 38.559======================= Grid point 56 (44/781) =======================q-point: (-0.25 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.284 ( -27.699 -8.815 -19.928) 35.243 3.685 ( -25.537 -1.451 -1.564) 25.626 5.395 ( -9.898 7.522 0.463) 12.441 5.881 ( -29.503 -7.366 -3.643) 30.626 7.042 ( -16.604 -10.744 0.177) 19.778 9.427 ( 7.187 0.411 -4.221) 8.345 9.731 ( -5.934 3.553 0.178) 6.918 14.701 ( 4.920 -7.393 -1.103) 8.949 19.914 ( 3.230 0.147 3.066) 4.456 34.298 ( -9.188 3.428 0.274) 9.811 36.659 ( -8.116 -6.985 0.070) 10.708 50.453 ( 34.431 9.369 -34.768) 49.821======================= Grid point 57 (45/781) =======================q-point: (-0.20 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4004Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.635 ( -30.667 -7.332 -19.095) 36.863 3.210 ( -28.070 -2.078 -1.256) 28.174 5.194 ( -30.018 -6.529 -2.268) 30.803 5.336 ( -16.412 4.231 0.598) 16.959 6.641 ( -19.453 -8.751 -0.145) 21.331 9.502 ( 2.291 -0.346 -2.274) 3.247 9.695 ( -1.114 3.058 -0.996) 3.403 14.692 ( 1.888 -5.424 -0.997) 5.829 19.985 ( 3.520 0.341 2.849) 4.541 34.177 ( -8.298 1.793 0.322) 8.495 36.457 ( -9.136 -4.873 1.342) 10.441 51.033 ( 39.649 8.458 -36.610) 54.625======================= Grid point 58 (46/781) =======================q-point: (-0.15 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.982 ( -32.022 -4.504 -13.792) 35.155 2.695 ( -30.133 -1.797 -0.674) 30.194 4.470 ( -43.014 -5.628 -1.318) 43.401 5.198 ( -9.015 2.805 0.493) 9.454 6.226 ( -21.460 -5.136 -0.120) 22.066 9.481 ( -3.082 -0.048 -0.002) 3.082 9.746 ( 4.161 1.440 -1.474) 4.644 14.654 ( -0.959 -2.954 -1.472) 3.437 20.058 ( 3.591 0.294 1.906) 4.076 34.060 ( -6.983 0.609 0.249) 7.014 36.273 ( -9.120 -2.427 2.160) 9.681 51.653 ( 40.463 5.169 -28.949) 50.020======================= Grid point 59 (47/781) =======================q-point: (-0.10 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.391 ( -31.318 -0.000 0.000) 31.318 2.164 ( -31.421 -0.000 0.000) 31.421 3.663 ( -48.452 -0.000 0.000) 48.452 5.075 ( -7.264 -0.000 0.000) 7.264 5.830 ( -22.160 -0.000 0.000) 22.160 9.421 ( -3.712 -0.000 0.000) 3.712 9.827 ( 4.679 0.000 -0.000) 4.679 14.599 ( -3.063 -0.000 0.000) 3.063 20.122 ( 3.320 0.000 -0.000) 3.320 33.958 ( -5.439 -0.000 0.000) 5.439 36.120 ( -8.286 -0.000 0.000) 8.286 52.274 ( 37.408 0.000 -0.000) 37.408======================= Grid point 64 (48/781) =======================q-point: ( 0.15 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2110Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.912 ( -0.000 29.898 4.529) 30.239 2.132 ( -0.000 14.574 58.704) 60.486 3.398 ( -0.000 47.710 18.360) 51.121 4.968 ( -0.000 3.978 0.197) 3.983 5.714 ( -0.000 23.871 2.662) 24.019 9.425 ( -0.000 3.333 1.703) 3.743 9.931 ( -0.000 3.198 1.563) 3.560 14.457 ( 0.000 -21.082 -1.769) 21.156 20.007 ( 0.000 -3.049 -9.237) 9.727 33.931 ( -0.000 3.947 1.572) 4.249 35.615 ( 0.000 22.847 -25.111) 33.949 56.229 ( -0.000 -131.548 254.301) 286.311======================= Grid point 65 (49/781) =======================q-point: ( 0.20 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.297 ( 9.050 28.558 4.848) 30.347 2.535 ( 4.989 15.390 53.772) 56.153 4.004 ( 9.555 44.460 17.142) 48.598 5.047 ( 4.085 4.740 -0.310) 6.265 5.982 ( 2.701 23.517 3.520) 23.932 9.466 ( 0.269 3.803 1.380) 4.054 9.960 ( -0.528 -0.108 6.476) 6.499 14.248 ( 2.509 -18.485 -15.720) 24.395 19.937 ( -0.473 -2.825 -9.650) 10.066 33.991 ( 1.581 4.756 1.496) 5.230 35.793 ( 5.009 20.347 -17.379) 27.224 55.644 ( -29.776 -111.750 209.776) 239.543======================= Grid point 66 (50/781) =======================q-point: ( 0.25 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.780 ( 13.197 26.817 5.891) 30.463 3.002 ( 9.607 15.331 47.318) 50.659 4.683 ( 14.788 38.880 15.229) 44.297 5.185 ( 5.766 6.816 -1.117) 8.997 6.283 ( 5.605 20.718 3.977) 21.828 9.521 ( 0.961 4.273 1.194) 4.540 9.950 ( -2.314 -3.769 10.144) 11.066 14.074 ( 6.499 -15.677 -27.391) 32.223 19.866 ( -0.524 -2.434 -9.429) 9.752 34.089 ( 2.981 6.267 1.306) 7.061 36.028 ( 7.453 16.592 -10.470) 20.988 54.748 ( -43.536 -90.455 169.017) 196.581======================= Grid point 67 (51/781) =======================q-point: ( 0.30 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.290 ( 13.964 25.221 6.859) 29.634 3.502 ( 12.418 14.149 40.112) 44.310 5.312 ( 9.952 17.485 6.910) 21.272 5.397 ( 12.039 24.754 4.962) 27.970 6.597 ( 8.575 16.182 3.617) 18.668 9.583 ( 0.926 2.946 2.195) 3.789 9.889 ( -3.972 -4.909 9.903) 11.745 13.956 ( 10.588 -13.875 -34.557) 38.715 19.802 ( -0.299 -2.131 -8.485) 8.754 34.220 ( 3.568 8.298 1.191) 9.111 36.277 ( 8.697 12.348 -5.140) 15.954 53.750 ( -48.542 -72.771 135.355) 161.161======================= Grid point 68 (52/781) =======================q-point: ( 0.35 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.782 ( 12.876 23.717 6.667) 27.798 3.982 ( 12.634 11.715 33.060) 37.280 5.512 ( 3.006 12.497 -0.102) 12.854 5.988 ( 16.502 26.255 10.601) 32.772 6.908 ( 11.095 10.955 2.596) 15.807 9.582 ( -2.908 -5.719 5.796) 8.647 9.841 ( -2.035 2.749 4.121) 5.355 13.896 ( 14.022 -13.304 -36.873) 41.632 19.751 ( 0.067 -1.993 -6.996) 7.274 34.374 ( 3.087 10.601 1.135) 11.100 36.515 ( 9.303 7.676 -1.455) 12.148 52.753 ( -48.528 -57.970 107.399) 131.340======================= Grid point 69 (53/781) =======================q-point: ( 0.40 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.225 ( 10.271 21.834 5.634) 24.779 4.391 ( 10.636 8.454 25.678) 29.050 5.679 ( 0.108 16.054 1.051) 16.089 6.502 ( 14.046 18.361 8.203) 24.529 7.202 ( 12.911 6.230 1.766) 14.444 9.430 ( -6.485 -10.786 4.745) 13.450 9.899 ( -0.111 8.636 1.243) 8.726 13.885 ( 16.507 -13.744 -35.341) 41.356 19.713 ( 0.511 -1.966 -5.207) 5.589 34.533 ( 1.497 12.842 1.068) 12.973 36.723 ( 9.383 2.720 0.743) 9.798 51.823 ( -45.022 -45.034 83.287) 104.842======================= Grid point 70 (54/781) =======================q-point: ( 0.45 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.582 ( 6.513 17.737 3.896) 19.292 4.694 ( 6.866 6.548 18.481) 20.774 5.832 ( -3.359 19.152 2.559) 19.612 6.865 ( 10.312 9.018 3.329) 14.097 7.477 ( 13.309 2.931 2.415) 13.840 9.225 ( -6.653 -9.704 1.374) 11.845 9.989 ( -0.872 10.124 0.880) 10.200 13.912 ( 18.079 -14.640 -31.423) 39.097 19.691 ( 1.009 -1.954 -3.352) 4.009 34.676 ( -1.033 14.616 0.942) 14.683 36.885 ( 8.897 -2.138 1.693) 9.306 51.008 ( -38.796 -33.501 61.722) 80.231======================= Grid point 71 (55/781) =======================q-point: ( 0.50 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.789 ( 2.192 6.834 1.844) 7.410 4.910 ( 1.756 11.112 12.641) 16.922 5.946 ( -7.744 20.833 2.477) 22.363 7.054 ( 6.941 0.444 -2.901) 7.536 7.710 ( 10.796 -0.207 3.599) 11.382 9.050 ( -4.485 -6.329 -0.271) 7.762 10.064 ( -2.646 10.431 0.710) 10.785 13.968 ( 18.888 -15.310 -26.320) 35.831 19.684 ( 1.531 -1.876 -1.630) 2.919 34.783 ( -4.134 15.508 0.756) 16.068 36.991 ( 7.775 -6.344 1.695) 10.177 50.345 ( -30.396 -23.276 42.099) 56.904======================= Grid point 72 (56/781) =======================q-point: ( 0.55 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.819 ( -2.638 0.819 -1.196) 3.010 5.042 ( -4.209 10.473 9.313) 14.633 5.984 ( -12.240 20.586 -0.010) 23.950 7.101 ( 3.623 -4.228 -7.151) 9.063 7.843 ( 5.584 -4.271 3.357) 7.790 8.964 ( -0.483 -2.590 0.205) 2.642 10.103 ( -4.752 9.905 0.464) 10.995 14.050 ( 18.983 -15.207 -20.790) 31.998 19.693 ( 2.026 -1.693 -0.196) 2.647 34.840 ( -7.284 15.200 0.550) 16.864 37.036 ( 5.977 -9.330 1.098) 11.135 49.860 ( -20.296 -14.418 24.417) 34.871======================= Grid point 73 (57/781) =======================q-point: (-0.40 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.714 ( -7.738 -2.223 -4.241) 9.099 5.024 ( -11.584 6.692 5.863) 14.606 5.943 ( -14.312 18.809 -2.517) 23.769 7.049 ( -1.150 -4.738 -7.951) 9.327 7.838 ( -0.256 -7.938 2.424) 8.304 8.980 ( 3.479 -0.422 0.660) 3.566 10.099 ( -6.629 8.674 0.216) 10.919 14.152 ( 18.250 -14.118 -15.311) 27.691 19.717 ( 2.464 -1.389 0.857) 2.956 34.836 ( -9.936 13.600 0.373) 16.847 37.021 ( 3.549 -10.701 0.285) 11.278 49.571 ( -8.996 -7.058 9.100) 14.613======================= Grid point 74 (58/781) =======================q-point: (-0.35 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.481 ( -13.539 -4.599 -7.057) 15.945 4.828 ( -18.764 3.588 1.472) 19.161 5.865 ( -13.606 15.826 -2.398) 21.008 6.907 ( -7.996 -3.309 -6.390) 10.757 7.708 ( -5.219 -10.411 1.714) 11.771 9.062 ( 5.943 0.216 -0.259) 5.952 10.053 ( -7.844 7.004 0.100) 10.516 14.270 ( 16.527 -12.157 -10.282) 22.949 19.755 ( 2.852 -0.984 1.506) 3.373 34.774 ( -11.669 10.926 0.258) 15.988 36.953 ( 0.669 -10.383 -0.382) 10.412 49.490 ( 2.865 -1.394 -3.194) 4.512======================= Grid point 75 (59/781) =======================q-point: (-0.30 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.112 ( -20.385 -5.929 -9.688) 23.336 4.500 ( -22.831 1.905 -0.934) 22.929 5.773 ( -12.602 11.792 -1.123) 17.295 6.659 ( -16.252 -2.068 -4.107) 16.890 7.483 ( -9.350 -11.153 1.002) 14.589 9.173 ( 7.176 0.309 -1.639) 7.367 9.976 ( -8.225 5.187 0.159) 9.725 14.390 ( 13.780 -9.578 -6.088) 17.852 19.805 ( 3.211 -0.540 1.777) 3.709 34.662 ( -12.297 7.670 0.207) 14.494 36.843 ( -2.337 -8.643 -0.635) 8.976 49.613 ( 14.431 2.320 -11.686) 18.713======================= Grid point 76 (60/781) =======================q-point: (-0.25 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.618 ( -26.569 -5.419 -10.391) 29.039 4.104 ( -25.014 0.627 -1.203) 25.050 5.656 ( -12.087 7.187 -0.329) 14.066 6.284 ( -24.649 -1.588 -2.064) 24.786 7.195 ( -12.990 -9.339 0.306) 16.002 9.293 ( 7.506 0.217 -2.276) 7.846 9.883 ( -7.773 3.415 0.266) 8.494 14.496 ( 10.182 -6.596 -3.025) 12.503 19.865 ( 3.537 -0.159 1.681) 3.920 34.516 ( -11.880 4.434 0.186) 12.682 36.706 ( -5.066 -5.973 -0.402) 7.842 49.924 ( 24.656 3.840 -15.377) 29.311======================= Grid point 77 (61/781) =======================q-point: (-0.20 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.054 ( -30.648 -3.362 -7.514) 31.735 3.663 ( -27.112 -0.158 -0.711) 27.121 5.494 ( -13.217 2.078 -0.245) 13.381 5.795 ( -30.488 -0.466 -0.566) 30.497 6.875 ( -16.421 -5.218 -0.030) 17.230 9.408 ( 6.652 0.028 -1.599) 6.842 9.789 ( -6.231 1.735 0.185) 6.471 14.578 ( 6.107 -3.346 -1.136) 7.056 19.932 ( 3.779 0.045 1.146) 3.949 34.356 ( -10.654 1.755 0.138) 10.798 36.558 ( -7.156 -2.927 0.065) 7.732 50.389 ( 32.517 3.039 -12.595) 35.003======================= Grid point 78 (62/781) =======================q-point: (-0.15 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2110Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.485 ( -32.603 -0.000 0.000) 32.603 3.186 ( -29.006 -0.000 0.000) 29.006 5.112 ( -34.900 -0.000 0.000) 34.900 5.398 ( -14.018 -0.000 0.000) 14.018 6.546 ( -19.449 -0.000 0.000) 19.449 9.490 ( 2.650 0.000 -0.000) 2.650 9.724 ( -1.735 -0.000 0.000) 1.735 14.628 ( 2.122 0.000 -0.000) 2.122 20.000 ( 3.833 0.000 -0.000) 3.833 34.198 ( -8.925 -0.000 0.000) 8.925 36.412 ( -8.438 -0.000 0.000) 8.438 50.971 ( 37.475 0.000 -0.000) 37.475======================= Grid point 85 (63/781) =======================q-point: ( 0.20 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.513 ( -0.000 28.269 4.605) 28.641 2.844 ( -0.000 15.887 49.402) 51.894 4.432 ( -0.000 44.258 17.981) 47.771 5.050 ( -0.000 4.189 -0.068) 4.189 6.213 ( -0.000 24.284 3.937) 24.601 9.503 ( -0.000 3.369 1.519) 3.696 9.985 ( -0.000 -2.075 8.657) 8.902 13.962 ( 0.000 -19.049 -24.935) 31.379 19.876 ( 0.000 -2.746 -9.832) 10.208 34.026 ( -0.000 4.532 1.718) 4.847 35.901 ( 0.000 21.435 -13.336) 25.244 55.556 ( -0.000 -110.777 189.914) 219.861======================= Grid point 86 (64/781) =======================q-point: ( 0.25 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.875 ( 8.383 26.864 4.912) 28.567 3.211 ( 4.223 15.510 44.023) 46.866 4.967 ( 5.584 40.635 17.021) 44.408 5.136 ( 5.312 4.962 -0.424) 7.281 6.467 ( 0.785 22.838 4.247) 23.243 9.548 ( 0.786 3.354 1.374) 3.709 9.977 ( -1.230 -5.510 11.153) 12.501 13.702 ( 3.965 -17.527 -34.004) 38.460 19.812 ( -0.191 -2.390 -9.597) 9.892 34.100 ( 2.549 5.134 1.646) 5.964 36.087 ( 2.660 19.792 -8.684) 21.776 55.011 ( -21.722 -98.187 163.165) 191.665======================= Grid point 87 (65/781) =======================q-point: ( 0.30 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4004Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.332 ( 12.804 25.163 5.832) 28.829 3.615 ( 7.864 14.144 37.618) 40.951 5.292 ( 8.066 6.323 -0.542) 10.263 5.541 ( 9.323 35.599 14.803) 39.665 6.710 ( 1.551 19.632 4.122) 20.120 9.599 ( 0.925 1.872 2.217) 3.045 9.925 ( -2.202 -7.033 10.911) 13.166 13.503 ( 8.478 -15.771 -40.299) 44.098 19.752 ( -0.119 -2.033 -8.761) 8.995 34.226 ( 4.825 6.569 1.541) 8.295 36.294 ( 3.758 16.412 -4.554) 17.442 54.217 ( -34.532 -82.397 136.266) 162.942======================= Grid point 88 (66/781) =======================q-point: ( 0.35 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.819 ( 13.426 23.502 6.976) 27.951 4.025 ( 10.003 11.845 30.437) 34.158 5.506 ( 9.154 8.178 -0.948) 12.311 6.083 ( 10.307 30.136 12.698) 34.288 6.929 ( 2.845 14.854 3.498) 15.524 9.589 ( -2.529 -6.715 5.554) 9.074 9.893 ( 0.115 0.379 5.613) 5.627 13.375 ( 12.734 -14.983 -42.435) 46.769 19.703 ( 0.122 -1.826 -7.361) 7.585 34.398 ( 5.976 8.756 1.478) 10.704 36.488 ( 4.165 11.754 -1.424) 12.552 53.321 ( -40.728 -66.858 111.324) 136.095======================= Grid point 89 (67/781) =======================q-point: ( 0.40 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4004Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.277 ( 11.314 20.743 8.037) 24.957 4.401 ( 10.030 9.938 22.543) 26.599 5.746 ( 8.317 11.187 -0.098) 13.940 6.552 ( 8.624 23.763 9.050) 26.850 7.123 ( 5.293 8.842 3.014) 10.737 9.437 ( -5.531 -12.428 4.960) 14.479 9.973 ( 1.901 7.501 2.545) 8.146 13.314 ( 16.298 -15.519 -40.799) 46.594 19.666 ( 0.469 -1.767 -5.587) 5.878 34.601 ( 5.538 11.518 1.413) 12.858 36.647 ( 4.401 6.092 0.603) 7.539 52.417 ( -42.200 -52.508 88.529) 111.245======================= Grid point 90 (68/781) =======================q-point: ( 0.45 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.624 ( 6.988 10.473 9.837) 15.977 4.744 ( 8.451 15.128 13.454) 21.938 5.996 ( 5.820 14.704 1.543) 15.889 6.871 ( 3.349 15.179 2.051) 15.679 7.320 ( 9.654 3.641 4.632) 11.310 9.232 ( -5.710 -11.641 1.841) 13.096 10.098 ( 0.993 10.512 2.113) 10.768 13.308 ( 19.152 -16.866 -36.676) 44.681 19.642 ( 0.905 -1.770 -3.698) 4.198 34.810 ( 3.309 14.505 1.282) 14.933 36.757 ( 4.763 -0.150 1.610) 5.030 51.569 ( -40.105 -39.592 67.620) 88.025======================= Grid point 91 (69/781) =======================q-point: ( 0.50 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4004Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.805 ( 3.043 3.909 6.144) 7.892 5.054 ( 3.902 16.412 10.521) 19.882 6.226 ( 0.814 18.593 2.592) 18.790 6.979 ( 0.371 3.919 -5.675) 6.907 7.542 ( 10.803 0.320 6.136) 12.428 9.052 ( -4.094 -8.156 -0.060) 9.126 10.215 ( -1.335 12.001 2.022) 12.243 13.351 ( 21.408 -17.984 -31.178) 41.878 19.634 ( 1.414 -1.739 -1.950) 2.971 34.994 ( -0.591 17.094 1.067) 17.137 36.818 ( 5.368 -6.192 1.783) 8.387 50.824 ( -35.164 -28.242 48.480) 66.215======================= Grid point 92 (70/781) =======================q-point: ( 0.55 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.858 ( -1.121 0.815 1.745) 2.229 5.258 ( -2.137 13.840 9.482) 16.912 6.377 ( -8.041 21.802 0.974) 23.258 6.963 ( 2.812 -4.271 -9.147) 10.479 7.704 ( 7.529 -4.095 5.113) 9.980 8.946 ( -1.210 -4.197 -0.153) 4.371 10.293 ( -4.329 12.041 1.735) 12.913 13.444 ( 22.954 -17.831 -24.950) 38.306 19.641 ( 1.954 -1.613 -0.545) 2.592 35.120 ( -5.546 18.308 0.811) 19.147 36.835 ( 6.013 -10.817 1.372) 12.452 50.215 ( -27.878 -18.568 31.326) 45.861======================= Grid point 93 (71/781) =======================q-point: (-0.40 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4004Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.799 ( -5.656 -1.253 -1.393) 5.958 5.311 ( -9.337 9.747 7.359) 15.373 6.369 ( -15.319 18.966 -3.731) 24.664 6.956 ( 4.186 -3.277 -6.715) 8.565 7.746 ( 2.790 -8.410 3.426) 9.500 8.926 ( 1.948 -1.594 0.277) 2.533 10.312 ( -7.112 10.561 1.220) 12.790 13.588 ( 23.374 -15.909 -18.454) 33.764 19.664 ( 2.473 -1.362 0.409) 2.853 35.162 ( -10.355 17.118 0.574) 20.014 36.825 ( 6.047 -12.705 0.678) 14.087 49.770 ( -18.690 -10.685 16.684) 27.237======================= Grid point 94 (72/781) =======================q-point: (-0.35 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.633 ( -10.804 -2.646 -3.391) 11.628 5.184 ( -16.762 5.483 3.426) 17.965 6.243 ( -15.234 13.293 -4.729) 20.764 6.959 ( -1.641 1.917 -3.770) 4.537 7.667 ( -1.684 -11.294 2.122) 11.615 8.973 ( 4.411 -0.541 0.063) 4.445 10.270 ( -8.938 7.994 0.691) 12.012 13.777 ( 22.265 -12.502 -12.222) 28.309 19.701 ( 2.932 -0.997 0.898) 3.224 35.109 ( -13.681 13.364 0.380) 19.128 36.800 ( 4.738 -11.410 0.033) 12.355 49.510 ( -8.122 -4.730 5.296) 10.788======================= Grid point 95 (73/781) =======================q-point: (-0.30 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4004Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.357 ( -16.813 -3.143 -4.387) 17.658 4.898 ( -21.833 2.562 0.207) 21.984 6.092 ( -13.701 8.539 -2.522) 16.340 6.881 ( -10.485 4.093 -2.082) 11.447 7.501 ( -5.220 -11.274 1.147) 12.477 9.058 ( 6.043 -0.162 -0.552) 6.070 10.178 ( -9.558 5.053 0.344) 10.817 13.994 ( 19.579 -8.326 -6.809) 22.339 19.749 ( 3.315 -0.576 0.971) 3.502 34.972 ( -14.934 8.264 0.227) 17.070 36.763 ( 2.040 -7.926 -0.302) 8.190 49.447 ( 3.127 -0.871 -1.987) 3.806======================= Grid point 96 (74/781) =======================q-point: (-0.25 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.977 ( -23.086 -2.283 -3.694) 23.491 4.523 ( -24.158 0.889 -0.537) 24.181 5.923 ( -13.054 4.006 -0.744) 13.675 6.655 ( -19.350 2.205 -0.832) 19.493 7.299 ( -8.460 -6.596 0.341) 10.733 9.165 ( 7.007 -0.005 -0.745) 7.046 10.055 ( -9.174 2.293 0.166) 9.458 14.215 ( 15.628 -4.018 -2.653) 16.353 19.807 ( 3.611 -0.204 0.676) 3.679 34.779 ( -14.434 3.462 0.108) 14.843 36.711 ( -1.332 -3.774 -0.251) 4.010 49.581 ( 14.182 0.732 -4.187) 14.805======================= Grid point 97 (75/781) =======================q-point: (-0.20 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.523 ( -28.018 -0.000 0.000) 28.018 4.106 ( -25.643 -0.000 0.000) 25.643 5.723 ( -12.812 -0.000 0.000) 12.812 6.276 ( -26.222 -0.000 0.000) 26.222 7.092 ( -12.461 -0.000 0.000) 12.461 9.285 ( 7.330 0.000 -0.000) 7.330 9.920 ( -8.090 -0.000 0.000) 8.090 14.415 ( 10.927 0.000 -0.000) 10.927 19.870 ( 3.786 0.000 -0.000) 3.786 34.564 ( -12.823 -0.000 0.000) 12.823 36.643 ( -4.555 -0.000 0.000) 4.555 49.901 ( 24.156 0.000 -0.000) 24.156======================= Grid point 106 (76/781) =======================q-point: ( 0.25 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2110Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.077 ( -0.000 25.995 4.476) 26.378 3.485 ( -0.000 14.945 39.450) 42.186 5.125 ( 0.000 3.678 -0.440) 3.704 5.387 ( -0.000 39.855 17.502) 43.528 6.701 ( -0.000 22.359 4.086) 22.729 9.575 ( -0.000 2.937 1.067) 3.125 9.963 ( -0.000 -9.080 12.772) 15.670 13.357 ( 0.000 -16.791 -40.380) 43.732 19.755 ( 0.000 -2.078 -9.362) 9.590 34.129 ( -0.000 4.640 1.656) 4.927 36.237 ( 0.000 20.420 -5.882) 21.251 54.838 ( -0.000 -94.543 147.913) 175.547======================= Grid point 107 (77/781) =======================q-point: ( 0.30 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.411 ( 8.114 24.360 4.743) 26.110 3.794 ( 3.380 13.591 33.944) 36.719 5.209 ( 5.967 3.636 -0.866) 7.041 5.854 ( 3.191 36.341 16.780) 40.155 6.919 ( -0.666 20.317 3.570) 20.639 9.610 ( 0.405 1.593 1.470) 2.205 9.902 ( -0.384 -11.535 12.463) 16.986 13.078 ( 4.536 -14.939 -44.794) 47.437 19.702 ( -0.025 -1.692 -8.596) 8.761 34.212 ( 3.648 5.001 1.562) 6.384 36.420 ( 0.583 18.750 -3.026) 19.002 54.343 ( -16.944 -83.866 128.498) 154.377======================= Grid point 108 (78/781) =======================q-point: ( 0.35 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.840 ( 12.867 22.393 5.675) 26.443 4.114 ( 6.017 11.462 27.674) 30.552 5.385 ( 10.659 4.392 -1.498) 11.625 6.313 ( 4.643 31.267 15.288) 35.113 7.095 ( -1.531 17.104 2.655) 17.377 9.582 ( -2.952 -8.072 5.075) 9.981 9.876 ( 3.268 -3.515 6.850) 8.363 12.880 ( 8.877 -13.755 -45.817) 48.654 19.657 ( 0.085 -1.409 -7.293) 7.428 34.362 ( 7.029 6.185 1.496) 9.482 36.586 ( -0.008 15.289 -0.695) 15.305 53.654 ( -28.265 -70.250 107.925) 131.840======================= Grid point 109 (79/781) =======================q-point: ( 0.40 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.300 ( 13.345 20.210 7.046) 25.223 4.421 ( 7.701 8.894 20.751) 23.854 5.634 ( 13.382 5.908 -1.691) 14.725 6.723 ( 4.695 25.426 12.675) 28.795 7.218 ( -2.080 12.578 1.618) 12.851 9.413 ( -4.964 -14.337 4.784) 15.909 9.985 ( 5.554 4.607 3.810) 8.160 12.756 ( 12.713 -14.302 -43.618) 47.631 19.623 ( 0.299 -1.286 -5.601) 5.754 34.576 ( 9.174 8.175 1.459) 12.374 36.704 ( -0.997 10.366 0.868) 10.450 52.875 ( -34.682 -56.107 87.571) 109.634======================= Grid point 110 (80/781) =======================q-point: ( 0.45 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.646 ( 5.962 8.148 12.102) 15.760 4.767 ( 12.462 16.046 9.937) 22.616 5.929 ( 14.134 7.734 -1.039) 16.146 7.039 ( 0.708 20.262 5.871) 21.107 7.292 ( 0.281 5.904 3.365) 6.801 9.204 ( -4.654 -13.435 1.918) 14.347 10.158 ( 5.016 8.994 3.781) 10.970 12.694 ( 16.316 -16.358 -39.347) 45.629 19.600 ( 0.616 -1.275 -3.775) 4.032 34.833 ( 9.405 10.944 1.383) 14.496 36.757 ( -1.751 4.232 1.651) 4.869 52.082 ( -37.085 -42.682 68.054) 88.478======================= Grid point 111 (81/781) =======================q-point: ( 0.50 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.816 ( 3.199 3.791 7.452) 8.952 5.145 ( 8.918 15.745 9.248) 20.321 6.242 ( 13.159 9.278 -0.047) 16.101 7.118 ( -9.054 12.114 -6.534) 16.474 7.425 ( 7.062 1.769 9.580) 12.032 9.027 ( -3.154 -9.635 0.066) 10.138 10.342 ( 2.251 12.192 4.221) 13.096 12.691 ( 20.161 -18.613 -33.805) 43.540 19.590 ( 1.047 -1.284 -2.092) 2.668 35.104 ( 7.144 14.389 1.211) 16.111 36.741 ( -1.573 -2.786 1.774) 3.659 51.330 ( -36.157 -30.629 49.797) 68.740======================= Grid point 112 (82/781) =======================q-point: ( 0.55 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.888 ( 0.009 1.369 3.188) 3.470 5.426 ( 2.948 13.607 9.126) 16.647 6.543 ( 10.865 10.446 0.453) 15.079 6.986 ( -12.122 6.043 -10.522) 17.152 7.570 ( 6.202 -3.110 7.620) 10.305 8.918 ( -1.034 -5.386 -0.296) 5.492 10.486 ( -2.226 13.419 4.057) 14.194 12.762 ( 24.122 -19.093 -27.054) 40.968 19.595 ( 1.574 -1.226 -0.773) 2.140 35.346 ( 1.775 18.010 0.952) 18.123 36.672 ( 0.451 -9.926 1.427) 10.038 50.660 ( -32.368 -20.310 33.305) 50.689======================= Grid point 113 (83/781) =======================q-point: ( 0.60 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.869 ( -3.655 -0.254 0.369) 3.683 5.563 ( -4.837 10.219 7.880) 13.781 6.774 ( -13.511 4.374 -10.855) 17.875 6.806 ( 7.673 10.819 0.076) 13.264 7.620 ( 3.589 -8.548 4.828) 10.453 8.882 ( 1.145 -2.399 -0.047) 2.659 10.547 ( -6.775 11.664 2.920) 13.802 12.932 ( 26.902 -16.352 -19.240) 36.896 19.614 ( 2.144 -1.049 0.067) 2.388 35.497 ( -6.687 19.534 0.681) 20.658 36.595 ( 4.779 -14.622 0.824) 15.405 50.108 ( -26.081 -11.942 19.250) 34.546======================= Grid point 114 (84/781) =======================q-point: (-0.35 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.763 ( -7.833 -1.128 -1.110) 7.992 5.511 ( -13.291 5.778 4.524) 15.182 6.554 ( -12.601 3.650 -7.611) 15.167 7.002 ( 1.967 12.079 -0.337) 12.243 7.566 ( 0.754 -12.413 2.626) 12.710 8.903 ( 3.072 -0.918 0.031) 3.206 10.509 ( -9.680 7.719 1.464) 12.467 13.198 ( 27.134 -11.076 -11.410) 31.450 19.647 ( 2.691 -0.743 0.427) 2.825 35.488 ( -14.516 14.829 0.433) 20.756 36.574 ( 8.250 -12.459 0.243) 14.945 49.705 ( -17.681 -5.682 8.437) 20.398======================= Grid point 115 (85/781) =======================q-point: (-0.30 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.575 ( -12.657 -1.116 -1.337) 12.776 5.276 ( -19.665 2.052 1.046) 19.800 6.360 ( -12.277 2.865 -2.833) 12.922 7.081 ( -6.040 9.593 -0.567) 11.350 7.448 ( -0.916 -11.068 1.125) 11.162 8.963 ( 4.713 -0.275 -0.096) 4.722 10.393 ( -10.637 3.448 0.455) 11.191 13.529 ( 24.803 -5.197 -4.781) 25.789 19.692 ( 3.151 -0.358 0.378) 3.194 35.318 ( -17.243 6.447 0.186) 18.410 36.619 ( 6.952 -5.757 -0.045) 9.026 49.473 ( -7.692 -1.666 1.728) 8.057======================= Grid point 116 (86/781) =======================q-point: (-0.25 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2110Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.308 ( -18.018 -0.000 0.000) 18.018 4.924 ( -22.825 -0.000 0.000) 22.825 6.160 ( -12.851 -0.000 0.000) 12.851 6.953 ( -13.921 -0.000 0.000) 13.921 7.362 ( -3.445 -0.000 0.000) 3.445 9.053 ( 6.050 0.000 -0.000) 6.050 10.232 ( -10.255 -0.000 0.000) 10.255 13.881 ( 20.709 0.000 -0.000) 20.709 19.747 ( 3.472 0.000 -0.000) 3.472 35.060 ( -16.500 -0.000 0.000) 16.500 36.678 ( 2.958 0.000 -0.000) 2.958 49.430 ( 3.190 0.000 -0.000) 3.190======================= Grid point 127 (87/781) =======================q-point: ( 0.30 0.30 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.588 ( -0.000 23.102 4.142) 23.470 4.014 ( -0.000 12.228 29.439) 31.877 5.181 ( 0.000 2.456 -0.839) 2.596 6.240 ( -0.000 34.129 17.018) 38.136 7.132 ( -0.000 19.122 2.467) 19.281 9.632 ( -0.000 2.243 0.537) 2.307 9.809 ( -0.000 -17.078 12.959) 21.438 12.731 ( 0.000 -12.436 -47.052) 48.668 19.656 ( 0.000 -1.256 -7.921) 8.020 34.229 ( -0.000 4.297 1.432) 4.529 36.594 ( 0.000 18.709 -1.220) 18.748 54.155 ( -0.000 -78.087 115.166) 139.143======================= Grid point 128 (88/781) =======================q-point: ( 0.35 0.30 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.890 ( 7.970 21.195 4.371) 23.062 4.249 ( 2.583 10.322 24.190) 26.426 5.257 ( 6.846 2.021 -1.281) 7.252 6.628 ( 1.121 29.871 16.549) 34.168 7.301 ( -1.695 16.993 0.910) 17.101 9.574 ( -4.879 -11.491 5.565) 13.668 9.767 ( 6.525 -5.912 5.615) 10.443 12.477 ( 3.959 -10.340 -46.189) 47.497 19.618 ( 0.031 -0.893 -6.746) 6.805 34.315 ( 4.731 4.401 1.312) 6.593 36.757 ( -1.269 16.640 0.339) 16.692 53.729 ( -13.877 -67.640 98.842) 120.572======================= Grid point 129 (89/781) =======================q-point: ( 0.40 0.30 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4004Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.284 ( 12.958 18.833 5.308) 23.468 4.479 ( 4.332 8.011 18.479) 20.601 5.438 ( 12.714 2.271 -2.005) 13.070 6.972 ( 1.149 23.927 15.652) 28.614 7.408 ( -3.783 14.400 -1.196) 14.937 9.362 ( -4.802 -16.942 4.537) 18.184 9.900 ( 9.164 1.227 3.545) 9.902 12.302 ( 6.981 -10.279 -42.800) 44.567 19.589 ( 0.116 -0.697 -5.209) 5.257 34.485 ( 9.221 5.195 1.244) 10.656 36.866 ( -3.503 13.005 1.376) 13.539 53.151 ( -23.974 -55.030 81.230) 101.002======================= Grid point 130 (90/781) =======================q-point: ( 0.45 0.30 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.674 ( 5.225 7.588 11.326) 14.600 4.720 ( 13.880 14.172 7.853) 21.335 5.705 ( 16.686 3.005 -2.493) 17.137 7.245 ( 0.869 16.669 14.363) 22.021 7.440 ( -6.372 11.633 -3.960) 13.842 9.143 ( -3.657 -15.018 1.678) 15.548 10.116 ( 10.488 5.509 4.533) 12.684 12.179 ( 9.711 -12.484 -38.331) 41.465 19.569 ( 0.287 -0.661 -3.548) 3.621 34.731 ( 12.539 6.626 1.185) 14.231 36.896 ( -6.018 8.178 1.826) 10.317 52.491 ( -30.404 -42.066 63.426) 81.956======================= Grid point 131 (91/781) =======================q-point: ( 0.50 0.30 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4004Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.826 ( 3.172 3.526 7.396) 8.786 5.127 ( 13.488 13.363 7.431) 20.389 6.024 ( 18.089 3.488 -2.538) 18.596 7.387 ( -9.226 8.813 -6.649) 14.388 7.432 ( 0.392 9.172 12.196) 15.265 8.972 ( -1.995 -10.525 0.051) 10.712 10.383 ( 9.083 10.228 6.511) 15.149 12.097 ( 13.584 -16.128 -33.619) 39.684 19.559 ( 0.584 -0.701 -2.028) 2.224 35.036 ( 14.033 8.698 1.066) 16.545 36.835 ( -8.230 2.455 1.764) 8.768 51.808 ( -33.488 -29.914 46.253) 64.464======================= Grid point 132 (92/781) =======================q-point: ( 0.55 0.30 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.907 ( 0.975 1.609 3.578) 4.042 5.473 ( 9.679 11.012 7.498) 16.467 6.344 ( 16.879 2.563 -2.735) 17.290 7.260 ( -11.988 8.865 -8.617) 17.221 7.528 ( 0.165 0.812 9.846) 9.880 8.873 ( -0.315 -5.890 -0.303) 5.906 10.641 ( 3.189 14.012 7.836) 16.368 12.088 ( 20.327 -18.853 -27.784) 39.250 19.560 ( 1.027 -0.712 -0.861) 1.518 35.370 ( 13.073 11.598 0.848) 17.497 36.683 ( -9.373 -4.047 1.352) 10.298 51.147 ( -33.504 -19.283 30.484) 49.230======================= Grid point 133 (93/781) =======================q-point: ( 0.60 0.30 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4004Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.918 ( -1.793 0.337 1.132) 2.148 5.704 ( 2.752 8.203 6.576) 10.868 6.589 ( 11.722 -1.420 -4.454) 12.619 7.130 ( -10.900 13.446 -6.529) 18.499 7.529 ( -0.329 -6.776 6.765) 9.581 8.839 ( 1.050 -2.608 -0.165) 2.817 10.783 ( -5.310 12.306 5.700) 14.564 12.235 ( 28.142 -15.777 -18.428) 37.155 19.574 ( 1.590 -0.609 -0.152) 1.710 35.691 ( 7.829 16.108 0.566) 17.919 36.463 ( -7.282 -11.802 0.781) 13.890 50.549 ( -30.657 -10.598 16.938) 36.594======================= Grid point 134 (94/781) =======================q-point: (-0.35 0.30 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.863 ( -4.991 -0.231 -0.031) 4.996 5.752 ( -6.802 4.068 3.583) 8.698 6.636 ( -0.660 -2.633 -4.937) 5.634 7.160 ( -2.380 17.367 -1.993) 17.643 7.442 ( -0.527 -13.084 3.634) 13.589 8.850 ( 2.190 -0.818 -0.035) 2.338 10.750 ( -10.079 5.711 1.940) 11.746 12.577 ( 30.913 -7.514 -7.834) 32.764 19.601 ( 2.199 -0.358 0.107) 2.230 35.871 ( -10.927 17.292 0.322) 20.458 36.294 ( 7.748 -15.582 0.214) 17.403 50.049 ( -25.162 -4.117 6.488) 26.309======================= Grid point 135 (95/781) =======================q-point: (-0.30 0.30 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.747 ( -8.619 -0.000 0.000) 8.619 5.588 ( -15.091 -0.000 0.000) 15.091 6.537 ( -7.968 -0.000 0.000) 7.968 7.249 ( -5.083 -0.000 0.000) 5.083 7.346 ( 3.288 0.000 -0.000) 3.288 8.894 ( 3.376 0.000 -0.000) 3.376 10.597 ( -11.109 -0.000 0.000) 11.109 13.037 ( 28.951 0.000 -0.000) 28.951 19.641 ( 2.753 0.000 -0.000) 2.753 35.662 ( -18.903 -0.000 0.000) 18.903 36.426 ( 11.956 0.000 -0.000) 11.956 49.681 ( -17.340 -0.000 0.000) 17.340======================= Grid point 148 (96/781) =======================q-point: ( 0.35 0.35 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2110Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.035 ( -0.000 19.691 3.665) 20.029 4.404 ( -0.000 8.574 20.067) 21.822 5.204 ( 0.000 0.579 -1.212) 1.343 6.960 ( -0.000 26.124 16.940) 31.136 7.476 ( 0.000 15.802 -1.330) 15.858 9.500 ( -0.000 -22.469 8.413) 23.992 9.671 ( -0.000 1.500 0.107) 1.504 12.192 ( 0.000 -7.034 -43.158) 43.727 19.588 ( 0.000 -0.447 -5.752) 5.770 34.315 ( -0.000 3.569 1.110) 3.737 36.933 ( -0.000 15.762 1.252) 15.812 53.572 ( -0.000 -60.134 85.932) 104.882======================= Grid point 149 (97/781) =======================q-point: ( 0.40 0.35 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.298 ( 7.776 17.519 3.866) 19.553 4.563 ( 1.942 6.619 15.457) 16.927 5.264 ( 7.588 -0.173 -1.662) 7.770 7.247 ( -0.478 19.828 16.948) 26.089 7.594 ( -2.381 14.805 -4.063) 15.536 9.271 ( -3.481 -20.402 4.252) 21.129 9.759 ( 8.133 0.462 1.204) 8.234 11.997 ( 2.101 -5.797 -38.006) 38.503 19.565 ( 0.009 -0.188 -4.445) 4.449 34.400 ( 5.663 3.421 0.968) 6.687 37.059 ( -2.803 13.200 1.800) 13.614 53.232 ( -11.905 -49.556 70.774) 87.216======================= Grid point 150 (98/781) =======================q-point: ( 0.45 0.35 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.649 ( 12.736 14.636 4.707) 19.964 4.711 ( 3.068 4.652 10.748) 12.107 5.441 ( 14.351 -0.218 -2.457) 14.561 7.443 ( -1.575 10.430 15.669) 18.888 7.656 ( -5.190 15.370 -6.222) 17.375 9.049 ( -2.518 -16.068 1.259) 16.312 9.958 ( 13.230 1.939 2.845) 13.670 11.846 ( 2.884 -6.871 -32.512) 33.355 19.550 ( 0.044 -0.130 -3.036) 3.039 34.580 ( 11.051 3.731 0.871) 11.696 37.101 ( -6.331 9.517 1.909) 11.589 52.764 ( -21.210 -37.695 54.622) 69.673======================= Grid point 151 (99/781) =======================q-point: ( 0.50 0.35 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.832 ( 2.938 2.892 6.431) 7.639 5.028 ( 14.550 11.127 5.396) 19.095 5.714 ( 18.862 0.251 -2.989) 19.099 7.503 ( -3.748 2.126 7.419) 8.579 7.682 ( -7.090 14.556 -1.802) 16.291 8.893 ( -0.852 -10.435 -0.038) 10.470 10.263 ( 16.742 5.427 5.635) 18.479 11.706 ( 3.576 -9.774 -27.847) 29.728 19.541 ( 0.183 -0.197 -1.753) 1.774 34.846 ( 15.332 4.303 0.756) 15.943 37.042 ( -10.009 5.260 1.633) 11.425 52.216 ( -27.725 -25.965 38.516) 54.096======================= Grid point 152 (100/781) =======================q-point: ( 0.55 0.35 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.912 ( 1.764 1.420 3.125) 3.859 5.382 ( 13.972 7.626 5.028) 16.693 6.037 ( 19.618 0.416 -2.847) 19.827 7.438 ( -6.589 1.572 -1.282) 6.895 7.673 ( -7.474 7.363 3.554) 11.077 8.815 ( 0.515 -5.372 -0.242) 5.402 10.657 ( 15.902 11.151 10.247) 21.960 11.571 ( 7.050 -14.476 -24.849) 29.610 19.539 ( 0.488 -0.265 -0.778) 0.955 35.177 ( 18.035 4.863 0.567) 18.688 36.879 ( -13.434 1.047 1.109) 13.521 51.631 ( -31.399 -15.370 23.415) 42.076======================= Grid point 153 (101/781) =======================q-point: ( 0.60 0.35 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.942 ( -0.108 0.421 1.002) 1.092 5.668 ( 10.569 4.202 3.364) 11.861 6.336 ( 16.163 -0.252 -2.145) 16.307 7.334 ( -6.467 3.381 -3.544) 8.113 7.593 ( -8.071 0.276 3.972) 9.000 8.796 ( 1.299 -1.919 -0.122) 2.320 10.998 ( -0.503 13.875 11.219) 17.850 11.560 ( 24.392 -15.684 -18.266) 34.273 19.547 ( 0.971 -0.218 -0.197) 1.015 35.541 ( 19.092 4.786 0.297) 19.685 36.624 ( -16.391 -2.165 0.509) 16.541 51.050 ( -32.192 -6.575 10.264) 34.422======================= Grid point 154 (102/781) =======================q-point: (-0.35 -0.65 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2110Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.925 ( -2.401 -0.000 0.000) 2.401 5.816 ( 2.859 0.000 -0.000) 2.859 6.542 ( 8.827 0.000 -0.000) 8.827 7.282 ( -1.616 -0.000 0.000) 1.616 7.451 ( -8.252 -0.000 0.000) 8.252 8.813 ( 1.719 0.000 -0.000) 1.719 10.958 ( -10.017 -0.000 0.000) 10.017 11.976 ( 33.125 0.000 -0.000) 33.125 19.567 ( 1.579 0.000 -0.000) 1.579 35.896 ( 18.804 0.000 -0.000) 18.804 36.306 ( -18.844 -0.000 0.000) 18.844 50.510 ( -30.086 -0.000 0.000) 30.086======================= Grid point 170 (103/781) =======================q-point: ( 0.40 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.407 ( -0.000 15.881 3.122) 16.185 4.656 ( -0.000 4.937 11.957) 12.936 5.182 ( 0.000 -1.832 -1.530) 2.387 7.478 ( -0.000 12.662 16.081) 20.468 7.743 ( 0.000 15.599 -5.762) 16.630 9.110 ( -0.000 -20.412 2.695) 20.589 9.693 ( 0.000 0.859 -0.118) 0.867 11.809 ( 0.000 -3.317 -31.140) 31.316 19.550 ( 0.000 0.113 -3.423) 3.425 34.382 ( -0.000 2.544 0.745) 2.651 37.213 ( -0.000 11.463 1.940) 11.626 53.135 ( -0.000 -40.792 57.535) 70.529======================= Grid point 171 (104/781) =======================q-point: ( 0.45 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.627 ( 7.347 13.361 3.253) 15.591 4.748 ( 1.534 3.355 8.244) 9.032 5.223 ( 8.306 -2.670 -1.952) 8.941 7.601 ( -1.763 4.972 11.029) 12.226 7.854 ( -2.683 15.312 -3.800) 16.003 8.928 ( -0.945 -15.220 0.778) 15.269 9.778 ( 9.006 0.639 0.579) 9.047 11.676 ( -0.195 -2.971 -24.164) 24.347 19.540 ( -0.045 0.178 -2.311) 2.319 34.461 ( 6.343 2.164 0.586) 6.728 37.286 ( -3.900 8.510 1.747) 9.523 52.887 ( -10.729 -30.182 42.741) 53.412======================= Grid point 172 (105/781) =======================q-point: ( 0.50 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4004Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.832 ( 2.367 1.985 4.756) 5.672 4.918 ( 11.795 9.417 3.543) 15.503 5.396 ( 15.930 -2.173 -2.432) 16.260 7.611 ( -3.789 1.168 5.128) 6.482 7.908 ( -5.383 10.988 -1.007) 12.277 8.804 ( 0.069 -8.762 -0.048) 8.762 10.012 ( 16.939 1.448 2.057) 17.125 11.550 ( -1.696 -3.733 -17.664) 18.133 19.534 ( -0.047 0.087 -1.288) 1.292 34.641 ( 12.256 1.946 0.444) 12.417 37.256 ( -8.164 5.038 1.273) 9.677 52.523 ( -19.678 -19.121 27.518) 38.860======================= Grid point 173 (106/781) =======================q-point: ( 0.55 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.899 ( 2.234 0.841 1.920) 3.063 5.215 ( 13.842 4.421 2.502) 14.745 5.685 ( 20.317 -0.694 -1.739) 20.403 7.548 ( -5.611 0.173 1.213) 5.744 7.875 ( -7.557 5.088 0.366) 9.118 8.756 ( 1.054 -3.484 -0.126) 3.642 10.390 ( 24.003 2.874 3.555) 24.435 11.407 ( -4.032 -4.367 -11.255) 12.728 19.531 ( 0.095 -0.019 -0.494) 0.504 34.907 ( 16.912 1.490 0.258) 16.979 37.120 ( -12.218 1.818 0.641) 12.369 52.073 ( -26.450 -8.768 12.927) 30.718======================= Grid point 174 (107/781) =======================q-point: (-0.40 -0.60 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.936 ( 1.308 0.000 -0.000) 1.308 5.480 ( 14.102 0.000 -0.000) 14.102 6.024 ( 19.893 0.000 -0.000) 19.893 7.446 ( -6.436 -0.000 0.000) 6.436 7.759 ( -9.011 -0.000 0.000) 9.011 8.762 ( 1.427 0.000 -0.000) 1.427 10.885 ( 30.285 0.000 -0.000) 30.285 11.254 ( -7.347 -0.000 0.000) 7.347 19.534 ( 0.440 0.000 -0.000) 0.440 35.227 ( 19.659 0.000 -0.000) 19.659 36.894 ( -15.474 -0.000 0.000) 15.474 51.570 ( -30.719 -0.000 0.000) 30.719======================= Grid point 192 (108/781) =======================q-point: ( 0.45 0.45 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2110Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.696 ( -0.000 11.469 2.481) 11.734 4.787 ( -0.000 2.060 5.398) 5.778 5.109 ( 0.000 -4.281 -1.705) 4.608 7.678 ( -0.000 1.611 5.584) 5.811 8.002 ( 0.000 11.646 -1.042) 11.693 8.806 ( 0.000 -10.992 0.335) 10.997 9.704 ( 0.000 0.374 -0.127) 0.395 11.585 ( 0.000 -1.447 -15.981) 16.047 19.536 ( 0.000 0.234 -1.486) 1.505 34.424 ( -0.000 1.322 0.371) 1.373 37.397 ( -0.000 6.044 1.320) 6.187 52.866 ( -0.000 -20.584 28.929) 35.505======================= Grid point 193 (109/781) =======================q-point: ( 0.50 0.45 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.829 ( 1.357 0.964 2.530) 3.028 4.855 ( 6.256 7.181 1.993) 9.730 5.140 ( 9.483 -3.576 -1.568) 10.255 7.682 ( -2.119 0.234 2.168) 3.041 8.061 ( -3.066 5.970 -0.119) 6.712 8.730 ( 0.395 -5.082 0.043) 5.097 9.790 ( 9.839 0.259 0.214) 9.845 11.514 ( -1.736 -0.992 -8.251) 8.490 19.533 ( -0.085 0.123 -0.682) 0.698 34.492 ( 6.700 0.740 0.195) 6.744 37.408 ( -4.472 2.942 0.699) 5.398 52.712 ( -10.183 -10.128 14.313) 20.277======================= Grid point 194 (110/781) =======================q-point: (-0.45 -0.55 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2110Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.869 ( 2.154 0.000 -0.000) 2.154 5.036 ( 10.497 0.000 -0.000) 10.497 5.352 ( 17.377 0.000 -0.000) 17.377 7.634 ( -4.109 -0.000 0.000) 4.109 8.015 ( -5.735 -0.000 0.000) 5.735 8.719 ( 1.004 0.000 -0.000) 1.004 10.036 ( 18.709 0.000 -0.000) 18.709 11.444 ( -3.855 -0.000 0.000) 3.855 19.530 ( -0.087 -0.000 0.000) 0.087 34.661 ( 12.675 0.000 -0.000) 12.675 37.311 ( -8.798 -0.000 0.000) 8.798 52.441 ( -19.190 -0.000 0.000) 19.190======================= Grid point 215 (111/781) =======================q-point: (-0.50 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 1112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.827 ( 0.000 0.000 -0.000) 0.000 4.850 ( -0.000 0.000 0.000) 0.000 5.029 ( -0.000 0.000 0.000) 0.000 7.705 ( -0.000 0.000 0.000) 0.000 8.117 ( -0.000 0.000 0.000) 0.000 8.701 ( -0.000 0.000 0.000) 0.000 9.707 ( -0.000 0.000 0.000) 0.000 11.509 ( -0.000 0.000 0.000) 0.000 19.533 ( -0.000 0.000 0.000) 0.000 34.439 ( -0.000 0.000 0.000) 0.000 37.462 ( -0.000 0.000 0.000) 0.000 52.776 ( -0.000 0.000 0.000) 0.000======================= Grid point 430 (112/781) =======================q-point: ( 0.05 0.05 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 770Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.193 ( -0.000 0.000 16.782) 16.782 0.193 ( -0.000 0.000 16.782) 16.782 1.106 ( -0.000 0.000 96.548) 96.548 4.830 ( 0.000 -0.000 -0.004) 0.004 4.830 ( 0.000 -0.000 -0.004) 0.004 9.283 ( -0.000 0.000 0.068) 0.068 9.283 ( -0.000 0.000 0.068) 0.068 16.831 ( 0.000 -0.000 -9.498) 9.498 20.267 ( -0.000 0.000 3.385) 3.385 33.786 ( -0.000 0.000 0.368) 0.368 33.786 ( -0.000 0.000 0.368) 0.368 73.462 ( 0.000 -0.000 -0.419) 0.419======================= Grid point 431 (113/781) =======================q-point: ( 0.10 0.05 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2110Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.671 ( 25.842 14.920 6.039) 30.445 1.020 ( 34.171 19.728 16.830) 42.896 1.566 ( 13.700 7.909 80.898) 82.430 4.842 ( 1.224 0.707 -0.240) 1.434 4.947 ( 9.901 5.716 0.588) 11.448 9.283 ( 0.557 0.321 -0.665) 0.925 9.591 ( 16.956 9.789 -17.236) 26.084 15.719 ( -54.775 -31.624 62.648) 89.023 20.193 ( -3.850 -2.223 -1.245) 4.617 33.795 ( 0.960 0.554 0.113) 1.114 34.651 ( 47.082 27.183 -58.282) 79.702 62.696 (-441.462 -254.878 635.673) 814.820======================= Grid point 432 (114/781) =======================q-point: ( 0.15 0.05 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.284 ( 26.659 15.391 4.176) 31.065 1.662 ( 14.096 8.138 56.924) 59.206 2.401 ( 37.910 21.887 32.080) 54.271 4.881 ( 2.329 1.344 -0.532) 2.741 5.258 ( 16.847 9.727 1.432) 19.506 9.304 ( 1.611 0.930 -1.129) 2.176 9.815 ( 7.759 4.480 -6.534) 11.089 15.073 ( -23.252 -13.424 31.427) 41.334 20.104 ( -2.821 -1.629 -6.544) 7.310 33.829 ( 2.094 1.209 -0.036) 2.418 35.266 ( 27.693 15.988 -40.873) 51.895 58.214 (-186.514 -107.684 388.633) 444.319======================= Grid point 433 (115/781) =======================q-point: ( 0.20 0.05 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2110Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.892 ( 26.062 15.047 3.772) 30.329 2.202 ( 14.692 8.482 60.961) 63.278 3.389 ( 40.593 23.436 17.733) 50.115 4.940 ( 3.041 1.756 -0.872) 3.618 5.687 ( 20.248 11.690 2.092) 23.473 9.347 ( 2.632 1.519 -1.224) 3.276 9.912 ( 1.480 0.854 4.331) 4.656 14.793 ( -8.914 -5.146 3.456) 10.857 20.017 ( -2.308 -1.332 -8.570) 8.975 33.888 ( 3.092 1.785 -0.048) 3.571 35.673 ( 20.483 11.826 -23.645) 33.444 56.144 (-116.793 -67.431 253.104) 286.792======================= Grid point 434 (116/781) =======================q-point: ( 0.25 0.05 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.478 ( 24.699 14.260 3.651) 28.752 2.786 ( 17.425 10.061 55.166) 58.721 4.335 ( 38.086 21.989 13.531) 46.012 5.007 ( 3.276 1.891 -1.212) 3.972 6.163 ( 21.020 12.136 2.123) 24.365 9.412 ( 3.478 2.008 -0.983) 4.135 9.919 ( -3.360 -1.940 10.496) 11.190 14.663 ( -1.316 -0.760 -14.146) 14.228 19.937 ( -1.791 -1.034 -8.687) 8.929 33.966 ( 3.841 2.217 0.061) 4.435 36.028 ( 17.528 10.120 -12.579) 23.830 54.668 ( -90.345 -52.161 180.336) 208.336======================= Grid point 435 (117/781) =======================q-point: ( 0.30 0.05 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2110Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.024 ( 22.618 13.058 3.507) 26.351 3.388 ( 18.355 10.597 47.567) 52.075 5.074 ( 3.008 1.737 -1.485) 3.777 5.193 ( 33.795 19.511 12.101) 40.856 6.633 ( 20.049 11.575 1.434) 23.195 9.494 ( 3.996 2.307 -0.551) 4.647 9.841 ( -7.283 -4.205 11.907) 14.577 14.613 ( 3.113 1.797 -23.809) 24.079 19.872 ( -1.265 -0.731 -7.699) 7.836 34.058 ( 4.228 2.441 0.232) 4.887 36.366 ( 15.610 9.012 -5.584) 18.870 53.410 ( -75.575 -43.633 134.907) 160.672======================= Grid point 436 (118/781) =======================q-point: ( 0.35 0.05 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.515 ( 19.845 11.458 3.259) 23.146 3.956 ( 17.115 9.881 39.368) 44.050 5.128 ( 2.261 1.305 -1.637) 3.081 5.938 ( 28.419 16.408 11.549) 34.789 7.064 ( 17.877 10.321 0.362) 20.645 9.584 ( 4.058 2.343 -0.130) 4.688 9.686 ( -10.026 -5.788 9.480) 14.963 14.615 ( 5.526 3.190 -27.466) 28.197 19.822 ( -0.789 -0.456 -6.169) 6.236 34.154 ( 4.169 2.407 0.390) 4.829 36.682 ( 13.513 7.802 -1.336) 15.660 52.297 ( -63.566 -36.700 102.365) 125.961======================= Grid point 437 (119/781) =======================q-point: ( 0.40 0.05 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2110Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.935 ( 16.413 9.476 2.929) 19.178 4.440 ( 13.858 8.001 30.683) 34.605 5.160 ( 1.132 0.653 -1.650) 2.105 6.549 ( 22.064 12.739 10.311) 27.485 7.434 ( 14.913 8.610 -0.292) 17.223 9.473 ( -11.104 -6.411 5.010) 13.766 9.671 ( 3.605 2.081 0.108) 4.164 14.647 ( 6.478 3.740 -26.974) 27.992 19.789 ( -0.372 -0.215 -4.456) 4.477 34.245 ( 3.633 2.097 0.475) 4.222 36.956 ( 10.780 6.224 0.912) 12.482 51.342 ( -51.541 -29.757 76.284) 96.754======================= Grid point 438 (120/781) =======================q-point: ( 0.45 0.05 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.269 ( 12.228 7.060 2.550) 14.348 4.797 ( 8.772 5.065 21.604) 23.860 5.165 ( -0.085 -0.049 -1.520) 1.523 6.995 ( 14.525 8.386 6.441) 17.966 7.730 ( 11.385 6.573 0.434) 13.153 9.243 ( -9.927 -5.731 0.917) 11.499 9.743 ( 2.669 1.541 0.086) 3.083 14.696 ( 6.434 3.715 -24.076) 25.196 19.771 ( 0.007 0.004 -2.757) 2.757 34.318 ( 2.660 1.536 0.462) 3.106 37.166 ( 7.362 4.250 1.679) 8.665 50.573 ( -38.822 -22.414 53.643) 69.907======================= Grid point 439 (121/781) =======================q-point: ( 0.50 0.05 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2110Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.494 ( 6.724 3.882 2.040) 8.027 4.987 ( 2.126 1.228 12.265) 12.508 5.150 ( -0.576 -0.333 -1.158) 1.336 7.239 ( 6.080 3.510 -0.461) 7.036 7.939 ( 6.484 3.743 1.836) 7.709 9.061 ( -5.718 -3.301 -0.378) 6.613 9.789 ( 1.379 0.796 -0.147) 1.599 14.750 ( 5.816 3.358 -20.103) 21.196 19.768 ( 0.355 0.205 -1.182) 1.251 34.365 ( 1.362 0.786 0.370) 1.615 37.294 ( 3.457 1.996 1.432) 4.240 50.014 ( -25.481 -14.712 33.138) 44.316======================= Grid point 440 (122/781) =======================q-point: (-0.45 0.05 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.570 ( -0.746 -0.431 1.132) 1.423 4.979 ( -5.442 -3.142 2.796) 6.878 5.145 ( 0.577 0.333 -0.334) 0.745 7.267 ( -2.082 -1.202 -7.096) 7.493 8.017 ( -0.374 -0.216 1.778) 1.830 9.005 ( 0.693 0.400 0.991) 1.274 9.802 ( -0.063 -0.036 -0.442) 0.447 14.802 ( 4.906 2.832 -15.912) 16.890 19.778 ( 0.682 0.394 0.188) 0.810 34.381 ( -0.099 -0.057 0.254) 0.278 37.330 ( -0.591 -0.341 0.635) 0.933 49.685 ( -11.857 -6.846 14.449) 19.906======================= Grid point 441 (123/781) =======================q-point: (-0.40 0.05 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2110Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.472 ( -7.862 -4.539 0.138) 9.079 4.766 ( -12.799 -7.390 -6.337) 16.081 5.170 ( 1.347 0.778 0.591) 1.664 7.105 ( -9.208 -5.316 -10.112) 14.673 7.943 ( -6.416 -3.704 1.507) 7.561 9.080 ( 5.072 2.928 0.842) 5.917 9.783 ( -1.431 -0.826 -0.607) 1.760 14.847 ( 3.794 2.191 -12.054) 12.826 19.800 ( 1.026 0.593 1.296) 1.756 34.363 ( -1.532 -0.884 0.181) 1.778 37.274 ( -4.384 -2.531 -0.250) 5.069 49.593 ( 1.561 0.901 -2.226) 2.864======================= Grid point 442 (124/781) =======================q-point: (-0.35 0.05 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.234 ( -13.033 -7.525 -0.469) 15.056 4.367 ( -18.896 -10.910 -14.149) 26.005 5.196 ( 0.450 0.260 1.111) 1.226 6.787 ( -15.612 -9.013 -9.381) 20.322 7.749 ( -11.252 -6.496 1.421) 13.070 9.216 ( 6.783 3.916 -1.618) 7.997 9.736 ( -2.534 -1.463 -0.498) 2.968 14.878 ( 2.464 1.423 -9.003) 9.442 19.834 ( 1.437 0.830 2.134) 2.703 34.315 ( -2.762 -1.595 0.204) 3.196 37.137 ( -7.537 -4.352 -0.812) 8.741 49.734 ( 14.086 8.132 -16.495) 23.165======================= Grid point 443 (125/781) =======================q-point: (-0.30 0.05 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2110Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.825 ( -23.357 -13.485 -19.708) 33.403 3.892 ( -17.074 -9.858 -0.779) 19.731 5.195 ( -0.990 -0.572 1.321) 1.747 6.334 ( -21.953 -12.674 -6.897) 26.270 7.452 ( -15.492 -8.944 0.989) 17.916 9.364 ( 7.263 4.193 -4.163) 9.363 9.669 ( -3.260 -1.882 -0.079) 3.765 14.886 ( 0.924 0.534 -7.240) 7.319 19.881 ( 1.924 1.111 2.720) 3.512 34.243 ( -3.654 -2.110 0.340) 4.233 36.938 ( -9.735 -5.621 -0.745) 11.266 50.090 ( 24.796 14.316 -27.938) 40.004======================= Grid point 444 (126/781) =======================q-point: (-0.25 0.05 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.183 ( -26.291 -15.179 -22.551) 37.818 3.466 ( -20.394 -11.775 -0.852) 23.565 5.163 ( -2.287 -1.320 1.328) 2.956 5.748 ( -28.386 -16.389 -4.361) 33.067 7.068 ( -18.781 -10.843 0.448) 21.691 9.507 ( 7.030 4.059 -5.194) 9.637 9.592 ( -3.583 -2.069 0.557) 4.174 14.862 ( -0.702 -0.405 -7.155) 7.200 19.941 ( 2.425 1.400 3.014) 4.114 34.156 ( -4.135 -2.388 0.558) 4.808 36.703 ( -10.782 -6.225 0.049) 12.450 50.618 ( 32.594 18.818 -35.949) 52.047======================= Grid point 445 (127/781) =======================q-point: (-0.20 0.05 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2110Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.486 ( -27.852 -16.080 -22.307) 39.139 2.974 ( -23.050 -13.308 -0.676) 26.624 5.027 ( -34.577 -19.963 -2.493) 40.004 5.105 ( -3.172 -1.832 1.188) 3.851 6.622 ( -20.795 -12.006 0.237) 24.014 9.515 ( -3.549 -2.049 1.221) 4.276 9.639 ( 6.285 3.629 -4.131) 8.351 14.799 ( -2.188 -1.263 -8.761) 9.118 20.011 ( 2.806 1.620 2.830) 4.302 34.065 ( -4.195 -2.422 0.792) 4.909 36.463 ( -10.624 -6.134 1.305) 12.337 51.256 ( 36.388 21.009 -38.959) 57.300======================= Grid point 446 (128/781) =======================q-point: (-0.15 0.05 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.779 ( -27.994 -16.162 -17.534) 36.774 2.431 ( -25.049 -14.462 -0.242) 28.925 4.181 ( -40.022 -23.107 -1.206) 46.229 5.033 ( -3.533 -2.040 0.953) 4.189 6.147 ( -21.420 -12.367 0.459) 24.738 9.444 ( -3.240 -1.871 1.694) 4.107 9.758 ( 5.241 3.026 -1.261) 6.182 14.699 ( -3.271 -1.888 -11.149) 11.772 20.085 ( 2.904 1.677 1.849) 3.829 33.977 ( -3.875 -2.237 0.961) 4.576 36.244 ( -9.347 -5.396 1.942) 10.966 51.932 ( 35.368 20.420 -31.964) 51.861======================= Grid point 447 (129/781) =======================q-point: (-0.10 0.05 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2110Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.123 ( -26.061 -15.046 -2.205) 30.173 1.852 ( -26.442 -15.266 0.456) 30.535 3.229 ( -44.342 -25.601 0.076) 51.201 4.958 ( -3.332 -1.924 0.683) 3.908 5.676 ( -20.366 -11.759 0.832) 23.532 9.383 ( -2.734 -1.579 1.811) 3.640 9.864 ( 4.023 2.323 1.660) 4.933 14.576 ( -3.567 -2.059 -10.477) 11.258 20.151 ( 2.605 1.504 -0.195) 3.014 33.900 ( -3.243 -1.873 1.001) 3.876 36.059 ( -7.296 -4.212 -1.695) 8.593 52.602 ( 30.119 17.389 2.808) 34.892======================= Grid point 448 (130/781) =======================q-point: (-0.05 0.05 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.673 ( -17.925 -10.349 42.280) 47.075 1.252 ( -27.293 -15.758 1.555) 31.554 2.202 ( -47.273 -27.293 2.523) 54.644 4.892 ( -2.605 -1.504 0.427) 3.038 5.256 ( -16.912 -9.764 0.879) 19.548 9.335 ( -2.086 -1.205 1.512) 2.844 9.936 ( 1.665 0.961 -2.790) 3.389 14.505 ( -0.239 -0.138 10.252) 10.256 20.197 ( 1.915 1.106 -3.129) 3.832 33.840 ( -2.377 -1.372 0.890) 2.885 35.870 ( -7.192 -4.152 -24.039) 25.433 53.479 ( 34.309 19.808 142.205) 147.621======================= Grid point 451 (131/781) =======================q-point: ( 0.10 0.10 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.718 ( -0.000 28.876 8.129) 29.999 1.054 ( -0.000 45.030 9.472) 46.015 1.889 ( -0.000 8.132 88.442) 88.815 4.849 ( -0.000 1.788 0.145) 1.794 4.949 ( -0.000 12.135 0.262) 12.138 9.311 ( -0.000 1.955 0.848) 2.131 9.518 ( 0.000 18.462 -13.406) 22.816 15.880 ( -0.000 -61.929 39.296) 73.344 20.191 ( -0.000 -6.420 0.782) 6.467 33.811 ( -0.000 1.774 0.961) 2.018 34.450 ( 0.000 48.215 -40.572) 63.014 64.865 ( -0.000 -502.630 502.121) 710.467======================= Grid point 452 (132/781) =======================q-point: ( 0.15 0.10 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.161 ( 14.420 27.159 5.977) 31.325 1.682 ( 17.061 27.442 25.716) 41.297 2.406 ( 11.751 19.950 66.554) 70.466 4.884 ( 1.057 3.336 -0.400) 3.522 5.163 ( 8.465 15.430 1.817) 17.693 9.320 ( -1.108 3.176 0.011) 3.363 9.718 ( 7.795 11.686 -9.174) 16.777 15.307 ( -16.900 -38.723 28.781) 51.122 20.104 ( -2.463 -4.565 -3.668) 6.352 33.834 ( 0.152 2.852 0.708) 2.942 34.915 ( 19.857 31.410 -36.855) 52.337 61.098 (-149.221 -256.371 406.962) 503.598======================= Grid point 453 (133/781) =======================q-point: ( 0.20 0.10 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.722 ( 18.910 24.558 5.036) 31.402 2.277 ( 14.119 13.503 48.627) 52.405 3.175 ( 26.039 29.517 35.001) 52.672 4.942 ( 1.219 5.082 -0.853) 5.295 5.526 ( 14.753 15.804 3.220) 21.858 9.346 ( 0.260 3.770 -0.550) 3.819 9.891 ( 4.744 5.094 0.025) 6.961 14.855 ( -10.049 -21.759 6.574) 24.853 20.005 ( -2.248 -2.996 -7.146) 8.068 33.880 ( 1.276 3.787 0.470) 4.024 35.380 ( 19.735 20.105 -25.665) 38.110 58.297 (-121.211 -137.556 292.838) 345.496======================= Grid point 454 (134/781) =======================q-point: ( 0.25 0.10 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.298 ( 19.766 22.558 4.759) 30.368 2.828 ( 14.715 11.073 52.715) 55.839 4.057 ( 30.977 28.841 21.022) 47.257 5.014 ( 1.021 6.457 -1.146) 6.636 5.968 ( 17.954 14.646 3.639) 23.454 9.398 ( 1.510 4.231 -0.595) 4.532 9.972 ( -0.012 0.008 7.988) 7.988 14.578 ( -2.041 -12.550 -13.336) 18.426 19.918 ( -1.591 -2.070 -8.384) 8.781 33.953 ( 2.113 4.721 0.436) 5.190 35.787 ( 18.113 14.515 -15.365) 27.836 56.346 ( -97.374 -91.028 213.974) 252.096======================= Grid point 455 (135/781) =======================q-point: ( 0.30 0.10 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.854 ( 18.936 20.783 4.542) 28.480 3.387 ( 15.967 10.626 48.410) 52.071 4.913 ( 30.688 25.197 15.576) 42.653 5.090 ( 0.427 7.528 -1.271) 7.646 6.427 ( 18.832 12.739 3.029) 22.937 9.472 ( 2.368 4.524 -0.302) 5.115 9.950 ( -4.800 -3.966 11.781) 13.326 14.428 ( 4.338 -7.208 -26.709) 28.003 19.849 ( -0.888 -1.482 -8.025) 8.209 34.044 ( 2.494 5.608 0.522) 6.160 36.160 ( 16.778 11.103 -7.844) 21.594 54.782 ( -82.571 -68.629 161.356) 193.813======================= Grid point 456 (136/781) =======================q-point: ( 0.35 0.10 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.367 ( 16.950 18.968 4.211) 25.784 3.926 ( 15.774 9.273 41.400) 45.263 5.162 ( -0.659 8.501 -1.273) 8.621 5.686 ( 27.841 20.672 13.106) 37.070 6.862 ( 18.134 10.517 1.756) 21.037 9.558 ( 2.631 4.157 0.247) 4.926 9.827 ( -8.660 -6.238 10.767) 15.160 14.371 ( 8.820 -4.148 -33.285) 34.683 19.798 ( -0.265 -1.129 -6.747) 6.846 34.146 ( 2.351 6.332 0.638) 6.785 36.506 ( 15.290 8.306 -2.823) 17.628 53.432 ( -71.200 -54.582 123.608) 152.734======================= Grid point 457 (137/781) =======================q-point: ( 0.40 0.10 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.820 ( 14.068 16.908 3.811) 22.322 4.397 ( 13.783 6.407 32.950) 36.286 5.222 ( -2.261 9.661 -0.660) 9.944 6.341 ( 23.242 15.562 10.777) 29.975 7.250 ( 16.396 8.271 0.679) 18.377 9.582 ( -6.266 -7.108 5.299) 10.857 9.686 ( -2.299 3.740 1.929) 4.795 14.382 ( 11.432 -2.695 -34.476) 36.422 19.766 ( 0.250 -0.932 -5.056) 5.147 34.247 ( 1.671 6.782 0.706) 7.021 36.810 ( 13.228 5.540 0.176) 14.343 52.261 ( -60.273 -43.546 94.141) 119.965======================= Grid point 458 (138/781) =======================q-point: ( 0.45 0.10 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.194 ( 10.435 14.415 3.382) 18.114 4.748 ( 10.054 1.838 23.072) 25.235 5.270 ( -4.273 11.420 0.978) 12.233 6.839 ( 16.983 9.760 6.403) 20.608 7.579 ( 13.965 6.152 1.039) 15.295 9.353 ( -10.302 -8.510 2.462) 13.587 9.747 ( 0.918 5.451 0.168) 5.531 14.433 ( 12.483 -2.315 -32.357) 34.758 19.750 ( 0.686 -0.804 -3.289) 3.454 34.336 ( 0.519 6.879 0.686) 6.932 37.054 ( 10.432 2.671 1.583) 10.884 51.278 ( -48.678 -33.681 69.481) 91.277======================= Grid point 459 (139/781) =======================q-point: ( 0.50 0.10 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.470 ( 5.863 11.133 2.830) 12.897 4.937 ( 4.980 -2.943 12.776) 14.024 5.307 ( -6.455 12.784 2.965) 14.625 7.140 ( 9.455 3.755 -0.736) 10.200 7.841 ( 10.239 3.573 2.655) 11.165 9.129 ( -7.581 -5.859 0.018) 9.582 9.805 ( -0.116 4.865 -0.080) 4.867 14.505 ( 12.458 -2.479 -28.701) 31.386 19.748 ( 1.066 -0.680 -1.664) 2.090 34.401 ( -0.969 6.594 0.585) 6.690 37.220 ( 6.984 -0.200 1.816) 7.219 50.502 ( -36.196 -24.415 47.969) 64.863======================= Grid point 460 (140/781) =======================q-point: ( 0.55 0.10 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.614 ( -0.371 6.339 1.758) 6.588 4.972 ( -0.148 -5.254 6.465) 8.332 5.310 ( -8.653 12.132 1.323) 14.960 7.229 ( 1.899 -1.189 -7.423) 7.753 7.992 ( 3.997 -0.305 2.837) 4.911 9.010 ( -1.782 -1.856 0.605) 2.643 9.835 ( -1.556 4.136 -0.390) 4.436 14.583 ( 11.773 -2.775 -24.630) 27.440 19.759 ( 1.395 -0.524 -0.326) 1.525 34.434 ( -2.597 5.955 0.449) 6.512 37.297 ( 3.146 -2.867 1.302) 4.451 49.954 ( -22.986 -15.645 29.052) 40.214======================= Grid point 461 (141/781) =======================q-point: (-0.40 0.10 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.585 ( -7.313 0.780 0.109) 7.355 4.862 ( -8.618 -6.987 1.340) 11.175 5.284 ( -7.216 11.395 -0.750) 13.509 7.138 ( -4.990 -4.556 -10.305) 12.323 7.988 ( -2.646 -4.083 2.019) 5.268 9.031 ( 3.509 1.081 1.099) 3.833 9.830 ( -2.992 3.341 -0.608) 4.526 14.658 ( 10.620 -2.984 -20.778) 23.525 19.782 ( 1.695 -0.312 0.651) 1.842 34.432 ( -4.148 5.037 0.343) 6.534 37.281 ( -0.720 -5.095 0.470) 5.167 49.648 ( -9.416 -7.473 12.853) 17.598======================= Grid point 462 (142/781) =======================q-point: (-0.35 0.10 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.396 ( -12.703 -4.021 -1.956) 13.467 4.550 ( -18.221 -7.658 -4.901) 20.363 5.285 ( -5.067 9.590 0.062) 10.846 6.905 ( -11.538 -6.939 -9.187) 16.299 7.851 ( -7.889 -6.981 1.642) 10.662 9.132 ( 6.018 2.119 -0.627) 6.411 9.796 ( -4.173 2.609 -0.577) 4.955 14.722 ( 9.000 -3.066 -17.575) 19.982 19.815 ( 2.022 -0.025 1.259) 2.382 34.396 ( -5.423 3.949 0.326) 6.716 37.181 ( -4.229 -6.677 -0.289) 7.909 49.590 ( 3.929 -0.154 -0.147) 3.934======================= Grid point 463 (143/781) =======================q-point: (-0.30 0.10 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.020 ( -21.363 -11.901 -11.115) 26.862 4.140 ( -20.238 -3.614 -1.218) 20.594 5.285 ( -5.217 7.539 0.744) 9.198 6.546 ( -18.399 -9.154 -6.148) 21.451 7.604 ( -12.512 -9.421 1.218) 15.709 9.259 ( 7.126 2.325 -2.772) 7.992 9.740 ( -4.962 2.095 -0.237) 5.391 14.764 ( 6.869 -3.044 -15.390) 17.126 19.859 ( 2.423 0.331 1.531) 2.885 34.331 ( -6.274 2.811 0.420) 6.888 37.013 ( -7.030 -7.471 -0.692) 10.281 49.771 ( 16.193 5.915 -9.256) 19.567======================= Grid point 464 (144/781) =======================q-point: (-0.25 0.10 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.432 ( -27.255 -12.819 -13.495) 33.004 3.743 ( -22.187 -5.177 -0.388) 22.787 5.259 ( -5.989 5.687 0.983) 8.317 6.057 ( -25.711 -11.430 -3.077) 28.305 7.262 ( -16.455 -11.102 0.666) 19.861 9.392 ( 7.487 1.884 -3.499) 8.476 9.672 ( -5.238 2.050 0.306) 5.633 14.773 ( 4.296 -2.894 -14.464) 15.364 19.915 ( 2.874 0.697 1.455) 3.296 34.246 ( -6.627 1.736 0.602) 6.877 36.802 ( -8.868 -7.426 -0.680) 11.587 50.168 ( 26.312 10.249 -13.414) 31.262======================= Grid point 465 (145/781) =======================q-point: (-0.20 0.10 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.775 ( -30.089 -12.662 -10.868) 34.406 3.286 ( -25.102 -6.409 -0.157) 25.908 5.202 ( -6.746 3.729 0.906) 7.761 5.434 ( -32.947 -13.104 -0.789) 35.466 6.849 ( -19.369 -11.675 0.391) 22.619 9.505 ( 4.739 -0.459 -1.615) 5.028 9.622 ( -2.572 3.697 0.296) 4.513 14.740 ( 1.528 -2.496 -14.642) 14.932 19.979 ( 3.264 0.976 0.890) 3.521 34.149 ( -6.482 0.812 0.807) 6.583 36.574 ( -9.637 -6.601 -0.601) 11.696 50.739 ( 33.252 12.419 -10.425) 36.995======================= Grid point 466 (146/781) =======================q-point: (-0.15 0.10 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.109 ( -31.213 -11.529 -2.545) 33.371 2.776 ( -27.635 -6.948 0.334) 28.497 4.674 ( -39.784 -14.928 0.591) 42.497 5.131 ( -6.972 3.108 0.788) 7.674 6.396 ( -21.183 -11.115 0.577) 23.929 9.493 ( -2.993 -1.055 1.121) 3.366 9.697 ( 4.920 3.323 0.842) 5.996 14.667 ( -0.997 -1.623 -14.836) 14.958 20.047 ( 3.420 1.068 -0.419) 3.607 34.052 ( -5.901 0.094 0.950) 5.978 36.351 ( -9.458 -5.163 -1.604) 10.894 51.438 ( 36.603 12.298 5.118) 38.951======================= Grid point 467 (147/781) =======================q-point: (-0.10 0.10 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.512 ( -29.686 -8.832 15.808) 34.773 2.229 ( -29.659 -6.688 1.063) 30.422 3.811 ( -46.009 -14.229 1.954) 48.199 5.045 ( -6.373 2.005 0.453) 6.697 5.934 ( -21.793 -9.399 0.970) 23.754 9.432 ( -3.513 -0.838 1.434) 3.886 9.817 ( 4.921 1.742 3.200) 6.123 14.575 ( -2.374 0.097 -11.602) 11.843 20.108 ( 3.201 0.916 -2.643) 4.251 33.962 ( -4.977 -0.397 0.950) 5.083 36.141 ( -8.978 -3.427 -6.639) 11.680 52.268 ( 38.553 10.569 47.602) 62.160======================= Grid point 468 (148/781) =======================q-point: (-0.05 0.10 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.120 ( -21.936 -3.896 48.774) 53.621 1.662 ( -31.176 -5.159 2.020) 31.665 2.881 ( -51.002 -10.331 4.429) 52.226 4.962 ( -5.263 0.943 0.022) 5.347 5.500 ( -20.725 -6.126 1.151) 21.642 9.372 ( -2.986 -1.027 1.045) 3.326 9.902 ( 2.414 -0.004 0.639) 2.497 14.545 ( 0.795 3.198 4.718) 5.755 20.149 ( 2.616 0.548 -5.405) 6.030 33.886 ( -3.816 -0.668 0.759) 3.948 35.904 ( -11.025 -1.937 -22.632) 25.249 53.455 ( 53.906 9.530 156.731) 166.016======================= Grid point 472 (149/781) =======================q-point: ( 0.15 0.15 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.348 ( -0.000 29.918 6.419) 30.599 1.937 ( -0.000 32.175 24.752) 40.594 2.774 ( -0.000 22.721 64.704) 68.578 4.899 ( -0.000 3.129 0.119) 3.132 5.285 ( -0.000 20.688 2.259) 20.811 9.369 ( -0.000 2.980 1.319) 3.259 9.745 ( 0.000 13.815 -8.498) 16.219 15.115 ( -0.000 -42.663 18.358) 46.445 20.058 ( 0.000 -5.773 -4.103) 7.083 33.867 ( -0.000 3.084 1.404) 3.388 34.955 ( 0.000 33.908 -30.267) 45.451 61.093 ( -0.000 -262.821 350.236) 437.881======================= Grid point 473 (150/781) =======================q-point: ( 0.20 0.15 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.757 ( 10.594 28.809 5.886) 31.254 2.405 ( 8.663 21.931 36.655) 43.585 3.332 ( 10.154 30.579 46.247) 56.365 4.956 ( 2.365 4.327 -0.437) 4.950 5.553 ( 5.478 21.631 4.144) 22.695 9.395 ( -0.895 3.965 0.770) 4.137 9.878 ( 3.674 9.055 -2.688) 10.135 14.729 ( -4.667 -33.299 3.437) 33.799 19.973 ( -1.287 -4.635 -6.337) 7.956 33.910 ( 0.530 4.087 1.283) 4.316 35.255 ( 10.514 26.972 -23.064) 37.013 59.430 ( -66.309 -186.490 283.482) 345.742======================= Grid point 474 (151/781) =======================q-point: ( 0.25 0.15 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.273 ( 14.931 27.207 5.719) 31.557 2.910 ( 11.689 14.654 44.555) 48.338 4.037 ( 18.589 33.266 29.431) 48.149 5.050 ( 2.682 6.524 -1.136) 7.144 5.907 ( 10.190 19.458 5.509) 22.645 9.432 ( 0.047 4.939 0.269) 4.946 9.991 ( 1.796 2.862 4.749) 5.828 14.377 ( -1.224 -23.769 -13.750) 27.487 19.886 ( -1.213 -3.269 -7.833) 8.574 33.978 ( 1.508 5.485 1.079) 5.790 35.620 ( 13.737 20.223 -15.397) 28.892 57.622 ( -78.245 -129.727 222.920) 269.527======================= Grid point 475 (152/781) =======================q-point: ( 0.30 0.15 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.813 ( 15.691 25.690 5.763) 30.650 3.421 ( 13.602 11.653 44.252) 47.740 4.796 ( 22.713 30.566 19.943) 42.987 5.159 ( 1.700 9.070 -1.415) 9.336 6.302 ( 13.388 15.865 5.415) 21.453 9.494 ( 1.105 5.531 0.280) 5.647 10.017 ( -2.332 -2.808 10.060) 10.702 14.130 ( 4.648 -16.550 -28.267) 33.084 19.813 ( -0.624 -2.291 -7.973) 8.319 34.074 ( 2.097 7.044 1.013) 7.419 35.985 ( 14.504 14.976 -8.787) 22.625 55.982 ( -76.139 -96.052 174.732) 213.435======================= Grid point 476 (153/781) =======================q-point: ( 0.35 0.15 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.334 ( 14.622 24.113 5.614) 28.753 3.919 ( 14.029 9.419 39.384) 42.856 5.271 ( 0.150 11.662 -1.133) 11.718 5.527 ( 23.275 25.486 14.806) 37.556 6.696 ( 14.957 12.027 4.146) 19.636 9.573 ( 1.521 5.181 0.810) 5.460 9.934 ( -6.543 -6.412 10.823) 14.180 13.996 ( 10.325 -11.632 -37.064) 40.195 19.760 ( 0.042 -1.726 -7.032) 7.241 34.190 ( 2.014 8.623 1.032) 8.915 36.329 ( 14.319 10.484 -3.831) 18.156 54.511 ( -70.600 -74.508 137.084) 171.254======================= Grid point 477 (154/781) =======================q-point: ( 0.40 0.15 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.809 ( 12.326 22.297 5.174) 25.998 4.360 ( 12.533 6.403 32.011) 34.968 5.382 ( -1.707 14.224 0.203) 14.328 6.171 ( 21.148 19.244 10.899) 30.600 7.065 ( 15.297 8.585 2.654) 17.742 9.615 ( -2.228 -2.688 3.769) 5.137 9.796 ( -5.989 -0.495 5.130) 7.901 13.961 ( 14.510 -8.886 -39.871) 43.350 19.726 ( 0.627 -1.468 -5.464) 5.692 34.313 ( 1.201 10.030 1.047) 10.156 36.636 ( 13.406 6.230 -0.543) 14.793 53.199 ( -63.325 -58.675 106.719) 137.266======================= Grid point 478 (155/781) =======================q-point: ( 0.45 0.15 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.215 ( 9.067 19.955 4.524) 22.381 4.694 ( 9.158 2.718 22.986) 24.892 5.491 ( -3.842 16.524 2.589) 17.161 6.678 ( 16.758 11.886 5.726) 21.329 7.398 ( 14.772 5.949 2.444) 16.111 9.436 ( -9.216 -10.711 3.680) 14.602 9.814 ( -0.680 7.942 0.738) 8.005 13.998 ( 16.883 -7.841 -38.501) 42.765 19.710 ( 1.117 -1.374 -3.680) 4.083 34.428 ( -0.272 11.062 0.997) 11.110 36.891 ( 11.730 2.099 1.273) 11.984 52.055 ( -54.446 -45.677 81.227) 107.928======================= Grid point 479 (156/781) =======================q-point: ( 0.50 0.15 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.528 ( 4.929 16.452 3.522) 17.532 4.893 ( 4.617 0.008 14.616) 15.328 5.584 ( -6.635 17.398 4.228) 19.094 6.999 ( 10.965 4.298 -1.602) 11.886 7.692 ( 12.734 3.488 3.797) 13.738 9.195 ( -8.191 -8.456 0.708) 11.794 9.883 ( -1.232 8.276 0.348) 8.374 14.076 ( 17.782 -7.699 -35.060) 40.059 19.709 ( 1.539 -1.314 -2.006) 2.850 34.522 ( -2.218 11.546 0.870) 11.789 37.077 ( 9.306 -1.758 1.907) 9.661 51.102 ( -44.040 -34.350 59.248) 81.423======================= Grid point 480 (157/781) =======================q-point: ( 0.55 0.15 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.711 ( -0.365 10.152 1.572) 10.279 4.976 ( 0.058 0.091 10.073) 10.074 5.622 ( -10.302 16.659 2.482) 19.744 7.127 ( 5.160 -1.280 -7.915) 9.534 7.901 ( 7.823 -0.263 4.077) 8.826 9.030 ( -3.741 -4.250 0.277) 5.668 9.930 ( -2.737 7.886 0.064) 8.347 14.175 ( 17.673 -7.703 -30.939) 36.454 19.720 ( 1.902 -1.210 -0.672) 2.353 34.581 ( -4.363 11.377 0.701) 12.206 37.182 ( 6.280 -5.065 1.708) 8.247 50.362 ( -32.302 -24.267 40.284) 57.054======================= Grid point 481 (158/781) =======================q-point: (-0.40 0.15 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.715 ( -6.061 2.009 -0.792) 6.434 4.968 ( -6.474 0.712 7.536) 9.961 5.588 ( -12.308 16.190 -1.119) 20.368 7.103 ( -0.434 -4.006 -10.170) 10.940 7.968 ( 1.263 -4.373 2.917) 5.407 8.993 ( 1.577 -0.770 0.835) 1.943 9.943 ( -4.372 7.141 -0.182) 8.375 14.283 ( 16.815 -7.379 -26.861) 32.538 19.743 ( 2.214 -1.019 0.207) 2.446 34.600 ( -6.402 10.543 0.550) 12.347 37.203 ( 2.906 -7.536 1.053) 8.145 49.855 ( -19.539 -15.322 24.463) 34.856======================= Grid point 482 (159/781) =======================q-point: (-0.35 0.15 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.552 ( -11.366 -3.884 -2.657) 12.301 4.798 ( -16.115 -0.533 2.775) 16.360 5.542 ( -10.572 15.627 -1.715) 18.945 6.966 ( -6.462 -4.961 -8.453) 11.740 7.891 ( -4.371 -7.518 2.042) 8.933 9.052 ( 4.788 0.631 -0.110) 4.830 9.921 ( -5.713 6.183 -0.253) 8.423 14.390 ( 15.224 -6.581 -23.242) 28.553 19.776 ( 2.509 -0.720 0.622) 2.683 34.575 ( -8.050 9.126 0.473) 12.178 37.145 ( -0.496 -8.952 0.301) 8.971 49.596 ( -6.237 -7.602 12.309) 15.754======================= Grid point 483 (160/781) =======================q-point: (-0.30 0.15 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.227 ( -18.561 -8.578 -5.084) 21.070 4.474 ( -21.320 0.055 -0.066) 21.321 5.514 ( -9.367 13.378 -0.499) 16.339 6.722 ( -13.470 -5.612 -4.984) 15.420 7.698 ( -9.138 -9.949 1.437) 13.585 9.153 ( 6.369 1.071 -1.751) 6.692 9.872 ( -6.524 5.177 -0.059) 8.329 14.487 ( 12.821 -5.360 -20.401) 24.684 19.819 ( 2.836 -0.329 0.630) 2.924 34.512 ( -9.099 7.290 0.496) 11.669 37.021 ( -3.596 -9.221 -0.273) 9.901 49.590 ( 6.883 -1.349 4.615) 8.396======================= Grid point 484 (161/781) =======================q-point: (-0.25 0.15 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.736 ( -25.785 -9.739 -5.739) 28.154 4.098 ( -23.098 -0.648 -0.134) 23.108 5.473 ( -9.398 10.462 0.228) 14.065 6.359 ( -21.338 -6.487 -1.649) 22.363 7.407 ( -13.325 -11.312 0.790) 17.497 9.271 ( 7.235 1.134 -2.319) 7.682 9.806 ( -6.709 4.249 0.356) 7.949 14.558 ( 9.636 -3.782 -18.531) 21.226 19.870 ( 3.201 0.086 0.264) 3.213 34.418 ( -9.451 5.254 0.598) 10.830 36.850 ( -6.111 -8.394 -0.594) 10.399 49.831 ( 18.888 3.099 2.520) 19.306======================= Grid point 485 (162/781) =======================q-point: (-0.20 0.15 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.156 ( -29.956 -8.778 -1.941) 31.276 3.677 ( -25.539 -1.756 0.313) 25.601 5.400 ( -9.701 7.117 0.426) 12.039 5.864 ( -29.335 -6.997 0.698) 30.166 7.045 ( -16.738 -10.989 0.399) 20.027 9.396 ( 7.103 0.674 -1.080) 7.216 9.737 ( -5.941 3.488 0.840) 6.940 14.594 ( 5.934 -1.832 -17.495) 18.565 19.929 ( 3.528 0.416 -0.551) 3.594 34.304 ( -9.125 3.252 0.718) 9.713 36.654 ( -7.878 -6.667 -0.933) 10.363 50.297 ( 28.894 5.440 8.010) 30.473======================= Grid point 486 (163/781) =======================q-point: (-0.15 0.15 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.565 ( -31.729 -6.647 7.243) 33.217 3.208 ( -28.057 -2.251 0.982) 28.165 5.191 ( -30.235 -6.823 1.752) 31.045 5.343 ( -16.168 4.059 0.641) 16.682 6.643 ( -19.418 -8.940 0.530) 21.384 9.494 ( 3.177 -0.292 1.088) 3.371 9.699 ( -1.618 2.776 1.698) 3.634 14.591 ( 2.292 0.574 -16.471) 16.640 19.990 ( 3.667 0.556 -1.991) 4.209 34.183 ( -8.233 1.500 0.769) 8.403 36.452 ( -8.961 -4.348 -2.143) 10.188 50.966 ( 36.683 5.562 25.092) 44.790======================= Grid point 487 (164/781) =======================q-point: (-0.10 0.15 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.042 ( -30.645 -3.214 23.405) 38.694 2.701 ( -30.118 -1.918 1.753) 30.230 4.481 ( -43.031 -5.896 3.335) 43.561 5.200 ( -8.997 2.450 -0.102) 9.326 6.230 ( -21.365 -5.383 0.973) 22.055 9.488 ( -2.985 -0.507 1.237) 3.271 9.762 ( 4.415 0.901 4.293) 6.223 14.567 ( -0.185 3.425 -13.351) 13.785 20.045 ( 3.479 0.454 -4.153) 5.437 34.065 ( -6.945 0.175 0.675) 6.980 36.250 ( -9.881 -1.788 -5.989) 11.692 51.848 ( 44.247 3.547 62.022) 76.270======================= Grid point 488 (165/781) =======================q-point: (-0.05 0.15 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.687 ( -24.974 1.142 46.163) 52.498 2.178 ( -31.392 -0.213 2.526) 31.494 3.693 ( -48.120 -0.145 5.458) 48.428 5.071 ( -7.253 -0.367 -0.579) 7.285 5.837 ( -22.134 -0.406 1.336) 22.178 9.424 ( -3.844 -0.888 0.392) 3.965 9.857 ( 3.814 -0.704 4.852) 6.211 14.576 ( 0.902 5.927 -4.072) 7.247 20.082 ( 2.972 0.140 -6.666) 7.299 33.961 ( -5.446 -0.546 0.410) 5.489 36.025 ( -12.207 0.869 -15.167) 19.489 53.075 ( 59.946 -1.659 134.100) 146.898======================= Grid point 493 (166/781) =======================q-point: ( 0.20 0.20 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.972 ( -0.000 29.299 5.826) 29.872 2.694 ( -0.000 21.898 36.867) 42.880 3.733 ( -0.000 33.587 41.541) 53.420 4.969 ( -0.000 3.949 -0.101) 3.951 5.757 ( -0.000 24.127 5.192) 24.679 9.443 ( -0.000 3.422 1.398) 3.696 9.931 ( 0.000 9.092 -1.529) 9.220 14.424 ( 0.000 -34.576 -4.865) 34.916 19.912 ( 0.000 -4.791 -6.893) 8.394 33.949 ( -0.000 4.034 1.637) 4.354 35.363 ( 0.000 27.802 -18.547) 33.421 59.164 ( -0.000 -179.378 249.914) 307.626======================= Grid point 494 (167/781) =======================q-point: ( 0.25 0.20 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.358 ( 9.258 28.217 5.735) 30.246 3.081 ( 5.429 17.379 39.835) 43.799 4.278 ( 7.486 35.942 31.296) 48.242 5.041 ( 3.625 4.740 -0.632) 6.000 6.037 ( 2.850 23.223 6.592) 24.308 9.480 ( -0.053 3.993 1.062) 4.132 10.017 ( 1.076 4.648 3.270) 5.784 14.062 ( 0.198 -29.914 -17.006) 34.411 19.836 ( -0.528 -3.865 -7.714) 8.644 34.009 ( 1.397 4.854 1.564) 5.287 35.616 ( 6.155 24.389 -13.272) 28.441 58.082 ( -38.615 -147.083 210.836) 259.955======================= Grid point 495 (168/781) =======================q-point: ( 0.30 0.20 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.847 ( 13.598 26.892 6.036) 30.733 3.507 ( 9.174 13.442 39.562) 42.779 4.899 ( 12.667 34.606 22.548) 43.202 5.171 ( 5.328 6.786 -1.459) 8.750 6.345 ( 5.360 19.963 7.252) 21.905 9.533 ( 0.826 4.762 0.881) 4.912 10.058 ( -1.130 -1.468 8.370) 8.572 13.746 ( 4.248 -23.541 -29.734) 38.162 19.765 ( -0.328 -2.809 -7.847) 8.341 34.105 ( 2.797 6.390 1.452) 7.124 35.920 ( 8.918 19.616 -8.184) 23.050 56.728 ( -54.861 -116.085 173.636) 215.951======================= Grid point 496 (169/781) =======================q-point: ( 0.35 0.20 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.364 ( 14.057 25.689 6.463) 29.989 3.942 ( 11.323 10.272 35.767) 38.897 5.330 ( 5.177 9.295 -1.083) 10.694 5.532 ( 15.155 30.798 15.587) 37.698 6.654 ( 7.758 15.333 6.691) 18.441 9.603 ( 1.309 4.452 1.367) 4.837 10.007 ( -4.611 -6.100 10.286) 12.817 13.533 ( 9.947 -17.701 -39.080) 44.040 19.712 ( 0.188 -2.065 -7.074) 7.371 34.235 ( 3.418 8.418 1.412) 9.195 36.224 ( 10.027 14.413 -3.964) 18.000 55.343 ( -59.862 -91.751 140.763) 178.370======================= Grid point 497 (170/781) =======================q-point: ( 0.40 0.20 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.856 ( 12.334 24.319 6.555) 28.045 4.344 ( 11.099 7.147 29.601) 32.412 5.509 ( 3.581 12.864 -0.346) 13.358 6.113 ( 15.221 24.513 10.627) 30.749 6.952 ( 9.990 10.397 5.405) 15.398 9.637 ( -1.696 -2.848 3.883) 5.105 9.900 ( -4.785 -1.452 6.234) 7.991 13.437 ( 15.215 -13.801 -42.899) 47.563 19.678 ( 0.742 -1.690 -5.617) 5.913 34.389 ( 2.946 10.695 1.395) 11.180 36.501 ( 10.289 8.927 -0.905) 13.652 54.019 ( -59.133 -72.609 112.254) 146.184======================= Grid point 498 (171/781) =======================q-point: ( 0.45 0.20 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.291 ( 9.254 22.193 6.030) 24.789 4.666 ( 8.652 4.320 22.195) 24.211 5.695 ( 1.114 16.383 1.921) 16.533 6.579 ( 12.481 16.116 4.439) 20.862 7.239 ( 12.180 6.452 4.903) 14.629 9.482 ( -7.693 -12.196 4.315) 15.051 9.916 ( -0.895 8.463 1.881) 8.716 13.440 ( 18.914 -12.119 -42.072) 47.693 19.661 ( 1.239 -1.572 -3.853) 4.342 34.547 ( 1.342 12.892 1.330) 13.030 36.732 ( 9.956 3.327 0.971) 10.542 52.806 ( -54.836 -56.867 87.436) 117.838======================= Grid point 499 (172/781) =======================q-point: ( 0.50 0.20 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.630 ( 5.052 17.409 4.592) 18.700 4.891 ( 5.062 4.030 15.786) 17.061 5.867 ( -2.851 18.887 3.788) 19.473 6.866 ( 8.615 6.202 -3.381) 11.141 7.524 ( 12.929 3.741 5.736) 14.631 9.241 ( -7.748 -10.846 1.405) 13.403 10.001 ( -1.306 10.469 1.315) 10.632 13.508 ( 21.029 -11.780 -38.744) 45.630 19.659 ( 1.679 -1.556 -2.159) 3.146 34.688 ( -1.206 14.619 1.186) 14.717 36.905 ( 9.073 -2.006 1.804) 9.466 51.742 ( -47.882 -43.478 65.760) 92.235======================= Grid point 500 (173/781) =======================q-point: ( 0.55 0.20 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.810 ( 0.192 7.401 2.339) 7.764 5.055 ( 0.845 8.626 12.155) 14.928 5.976 ( -8.565 19.714 2.758) 21.670 6.983 ( 6.030 -1.238 -9.174) 11.047 7.764 ( 10.083 -0.008 5.534) 11.502 9.050 ( -4.618 -6.582 0.228) 8.043 10.074 ( -3.107 10.819 1.102) 11.310 13.618 ( 21.948 -11.594 -34.469) 42.477 19.670 ( 2.074 -1.520 -0.831) 2.703 34.793 ( -4.308 15.475 0.987) 16.093 37.011 ( 7.633 -6.525 1.837) 10.209 50.858 ( -38.765 -31.940 47.075) 68.840======================= Grid point 501 (174/781) =======================q-point: ( 0.60 0.20 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.814 ( -4.373 0.473 0.515) 4.429 5.153 ( -5.363 8.911 9.636) 14.178 5.978 ( -13.554 19.048 -1.266) 23.413 6.999 ( 3.628 -3.747 -10.011) 11.288 7.886 ( 4.677 -4.515 4.046) 7.657 8.968 ( -0.148 -2.613 0.381) 2.644 10.111 ( -5.225 10.259 0.850) 11.544 13.757 ( 21.880 -10.720 -30.009) 38.655 19.692 ( 2.428 -1.387 -0.032) 2.796 34.847 ( -7.435 15.146 0.789) 16.891 37.050 ( 5.643 -9.670 1.374) 11.280 50.182 ( -27.862 -22.038 31.638) 47.570======================= Grid point 502 (175/781) =======================q-point: (-0.35 0.20 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.686 ( -9.261 -3.119 -0.635) 9.793 5.092 ( -13.812 5.153 5.641) 15.784 5.908 ( -14.045 17.920 -3.556) 23.044 6.960 ( -0.851 -2.863 -7.028) 7.636 7.867 ( -0.869 -8.160 2.654) 8.625 8.984 ( 3.336 -0.629 -0.059) 3.395 10.104 ( -7.011 8.960 0.616) 11.393 13.916 ( 20.766 -8.872 -25.778) 34.270 19.724 ( 2.749 -1.120 0.228) 2.977 34.842 ( -10.044 13.533 0.649) 16.866 37.027 ( 3.166 -11.056 0.737) 11.524 49.739 ( -15.597 -13.741 20.028) 28.865======================= Grid point 503 (176/781) =======================q-point: (-0.30 0.20 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.434 ( -15.323 -5.579 -1.148) 16.347 4.845 ( -20.533 2.686 1.389) 20.755 5.838 ( -12.419 15.472 -2.221) 19.963 6.850 ( -7.701 -1.562 -3.269) 8.510 7.728 ( -5.598 -10.671 1.705) 12.170 9.054 ( 5.357 0.162 -1.145) 5.480 10.056 ( -8.054 7.195 0.525) 10.813 14.083 ( 18.473 -6.206 -22.130) 29.488 19.764 ( 3.060 -0.733 0.034) 3.146 34.779 ( -11.725 10.834 0.592) 15.975 36.951 ( 0.361 -10.628 0.190) 10.636 49.547 ( -2.564 -7.167 13.043) 15.101======================= Grid point 504 (177/781) =======================q-point: (-0.25 0.20 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.054 ( -22.215 -6.343 -0.297) 23.105 4.495 ( -23.235 1.569 0.225) 23.289 5.763 ( -11.812 11.591 -0.714) 16.564 6.633 ( -15.990 -1.121 -0.154) 16.030 7.494 ( -9.651 -11.486 0.871) 15.028 9.155 ( 6.678 0.618 -1.530) 6.879 9.981 ( -8.264 5.234 0.605) 9.801 14.243 ( 15.031 -3.031 -19.347) 24.687 19.813 ( 3.363 -0.296 -0.527) 3.417 34.667 ( -12.303 7.524 0.602) 14.434 36.838 ( -2.510 -8.688 -0.150) 9.044 49.614 ( 10.455 -2.535 11.711) 15.902======================= Grid point 505 (178/781) =======================q-point: (-0.20 0.20 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.581 ( -27.490 -5.058 3.852) 28.215 4.101 ( -24.994 0.472 0.829) 25.012 5.654 ( -11.776 7.051 0.023) 13.726 6.283 ( -24.513 -1.485 1.844) 24.627 7.198 ( -13.126 -9.591 0.332) 16.260 9.277 ( 7.432 0.740 -0.372) 7.478 9.889 ( -7.713 3.239 0.750) 8.399 14.378 ( 10.750 0.395 -17.483) 20.527 19.867 ( 3.609 0.074 -1.452) 3.891 34.521 ( -11.855 4.208 0.624) 12.595 36.701 ( -5.164 -5.784 -0.441) 7.766 49.936 ( 22.677 -0.086 17.526) 28.660======================= Grid point 506 (179/781) =======================q-point: (-0.15 0.20 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.084 ( -30.093 -2.445 12.400) 32.639 3.668 ( -27.083 -0.250 1.727) 27.139 5.497 ( -13.009 2.068 0.642) 13.188 5.805 ( -30.621 -1.024 2.419) 30.733 6.877 ( -16.372 -5.347 0.411) 17.228 9.410 ( 6.935 0.472 2.053) 7.248 9.795 ( -6.088 1.279 0.951) 6.293 14.478 ( 6.263 3.841 -16.176) 17.766 19.923 ( 3.687 0.263 -2.840) 4.662 34.360 ( -10.628 1.435 0.592) 10.740 36.551 ( -7.447 -2.521 -1.242) 7.959 50.507 ( 33.789 -0.004 32.960) 47.202======================= Grid point 507 (180/781) =======================q-point: (-0.10 0.20 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.638 ( -29.836 1.088 25.525) 39.279 3.201 ( -29.009 -0.145 2.514) 29.118 5.136 ( -34.575 -0.283 4.273) 34.840 5.395 ( -14.308 -0.372 -0.517) 14.322 6.551 ( -19.331 -0.189 0.864) 19.351 9.509 ( 1.966 0.034 3.156) 3.719 9.739 ( -0.580 -0.593 2.769) 2.890 14.544 ( 2.593 6.871 -14.475) 16.232 19.972 ( 3.483 0.217 -4.755) 5.898 34.201 ( -8.930 -0.402 0.451) 8.951 36.391 ( -9.534 0.612 -3.567) 10.198 51.333 ( 44.828 -2.572 62.077) 76.614======================= Grid point 508 (181/781) =======================q-point: (-0.05 0.20 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.318 ( -26.219 4.892 41.796) 49.581 2.717 ( -30.148 1.502 3.156) 30.350 4.512 ( -42.724 5.408 6.144) 43.501 5.189 ( -8.989 -3.042 -1.015) 9.544 6.233 ( -21.376 4.773 1.289) 21.940 9.485 ( -3.986 -0.615 0.554) 4.071 9.795 ( 4.824 -1.597 7.073) 8.709 14.599 ( 1.250 8.331 -10.843) 13.731 20.005 ( 2.997 -0.042 -6.946) 7.565 34.060 ( -7.033 -1.034 0.202) 7.111 36.208 ( -12.105 3.434 -8.605) 15.244 52.471 ( 59.495 -9.207 110.221) 125.591======================= Grid point 514 (182/781) =======================q-point: ( 0.25 0.25 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.571 ( -0.000 27.817 5.385) 28.333 3.353 ( -0.000 16.313 38.638) 41.941 4.691 ( -0.000 37.613 27.232) 46.436 5.047 ( 0.000 4.126 -0.463) 4.151 6.274 ( -0.000 23.574 7.252) 24.664 9.519 ( -0.000 3.304 1.149) 3.498 10.065 ( -0.000 2.892 5.031) 5.803 13.684 ( 0.000 -30.167 -23.808) 38.430 19.773 ( 0.000 -3.546 -7.852) 8.616 34.046 ( -0.000 4.543 1.653) 4.834 35.767 ( 0.000 24.978 -9.955) 26.889 57.741 ( -0.000 -140.468 188.149) 234.800======================= Grid point 515 (183/781) =======================q-point: ( 0.30 0.25 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.934 ( 8.775 26.533 5.413) 28.466 3.677 ( 3.825 13.671 36.878) 39.516 5.123 ( 4.513 5.432 -0.064) 7.063 5.196 ( 5.039 36.198 20.742) 42.022 6.532 ( 0.854 21.569 7.591) 22.882 9.561 ( 0.850 3.420 0.998) 3.662 10.092 ( -0.862 -2.135 8.578) 8.881 13.320 ( 2.861 -26.254 -32.765) 42.083 19.711 ( -0.066 -2.751 -7.680) 8.158 34.119 ( 2.495 5.138 1.575) 5.925 36.000 ( 3.218 22.645 -6.358) 23.740 56.886 ( -26.360 -122.055 161.908) 204.466======================= Grid point 516 (184/781) =======================q-point: ( 0.35 0.25 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.400 ( 13.450 25.049 5.962) 29.050 4.021 ( 6.832 10.730 33.046) 35.409 5.279 ( 8.044 5.799 -1.470) 10.025 5.723 ( 7.605 34.243 16.211) 38.642 6.773 ( 1.492 17.951 7.341) 19.452 9.620 ( 1.546 2.861 1.435) 3.554 10.049 ( -3.078 -7.026 10.524) 13.023 13.039 ( 7.855 -20.657 -40.527) 46.161 19.662 ( 0.225 -2.000 -6.869) 7.158 34.243 ( 4.786 6.581 1.525) 8.279 36.250 ( 4.465 18.501 -3.142) 19.290 55.783 ( -41.196 -101.443 135.556) 174.250======================= Grid point 517 (185/781) =======================q-point: ( 0.40 0.25 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.897 ( 13.932 23.692 6.727) 28.296 4.357 ( 8.436 7.584 27.341) 29.601 5.491 ( 9.641 8.040 -1.496) 12.642 6.222 ( 8.241 29.469 11.000) 32.516 6.986 ( 2.666 13.149 6.683) 14.989 9.642 ( -1.296 -4.382 3.810) 5.950 9.968 ( -2.427 -2.972 7.344) 8.286 12.879 ( 13.348 -16.121 -44.025) 48.747 19.628 ( 0.653 -1.543 -5.461) 5.712 34.416 ( 5.943 8.765 1.519) 10.699 36.476 ( 4.786 13.108 -0.673) 13.971 54.598 ( -48.057 -82.276 110.612) 145.992======================= Grid point 518 (186/781) =======================q-point: ( 0.45 0.25 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.362 ( 11.242 21.767 7.222) 25.541 4.650 ( 8.260 4.997 20.518) 22.676 5.744 ( 9.580 10.954 -0.196) 14.554 6.631 ( 5.692 22.722 4.130) 23.785 7.179 ( 5.482 8.022 6.880) 11.905 9.491 ( -6.377 -13.725 4.490) 15.786 10.007 ( 0.936 7.310 3.434) 8.130 12.832 ( 17.918 -14.163 -43.151) 48.823 19.611 ( 1.085 -1.382 -3.742) 4.134 34.618 ( 5.474 11.508 1.492) 12.831 36.656 ( 4.820 6.809 0.921) 8.393 53.431 ( -49.544 -65.313 87.670) 120.027======================= Grid point 519 (187/781) =======================q-point: ( 0.50 0.25 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.716 ( 5.493 13.684 7.223) 16.420 4.907 ( 7.743 8.771 14.004) 18.248 6.015 ( 7.298 14.098 1.819) 15.979 6.855 ( 0.428 12.552 -4.907) 13.484 7.396 ( 9.507 4.627 8.304) 13.444 9.253 ( -6.705 -12.993 1.921) 14.747 10.126 ( 0.385 11.163 2.925) 11.546 12.869 ( 21.315 -14.098 -39.784) 47.285 19.609 ( 1.491 -1.394 -2.081) 2.915 34.825 ( 3.197 14.464 1.384) 14.877 36.776 ( 4.943 0.070 1.688) 5.224 52.344 ( -47.138 -50.524 67.013) 96.257======================= Grid point 520 (188/781) =======================q-point: ( 0.55 0.25 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.867 ( 0.871 3.683 5.232) 6.457 5.179 ( 4.017 14.369 10.752) 18.390 6.257 ( 1.143 17.881 2.895) 18.150 6.879 ( -0.744 1.948 -11.489) 11.677 7.622 ( 9.541 0.772 7.445) 12.126 9.054 ( -4.438 -8.664 0.432) 9.744 10.243 ( -2.055 12.755 2.921) 13.245 12.969 ( 23.794 -14.186 -35.349) 44.910 19.618 ( 1.887 -1.435 -0.799) 2.501 35.007 ( -0.733 17.017 1.194) 17.075 36.838 ( 5.325 -6.314 1.784) 8.450 51.384 ( -41.661 -37.775 48.954) 74.560======================= Grid point 521 (189/781) =======================q-point: ( 0.60 0.25 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.882 ( -2.774 -0.003 2.698) 3.869 5.368 ( -2.516 12.715 9.333) 15.972 6.380 ( -10.593 20.652 -0.710) 23.221 6.843 ( 4.789 -4.027 -11.094) 12.737 7.765 ( 6.266 -4.316 5.327) 9.288 8.946 ( -1.088 -4.297 0.139) 4.435 10.318 ( -5.149 12.596 2.663) 13.866 13.125 ( 25.284 -12.943 -30.422) 41.621 19.638 ( 2.277 -1.389 -0.080) 2.668 35.131 ( -5.684 18.207 0.976) 19.099 36.852 ( 5.809 -11.133 1.435) 12.639 50.591 ( -33.612 -26.967 33.978) 54.877======================= Grid point 522 (190/781) =======================q-point: (-0.35 0.25 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.798 ( -6.861 -2.068 1.355) 7.293 5.392 ( -10.785 8.304 6.394) 15.039 6.312 ( -15.375 16.687 -6.176) 23.516 6.888 ( 4.891 0.137 -4.456) 6.618 7.786 ( 1.901 -8.792 3.388) 9.612 8.927 ( 1.966 -1.681 -0.180) 2.593 10.331 ( -7.838 10.773 2.097) 13.487 13.336 ( 25.332 -9.871 -25.387) 37.197 19.667 ( 2.656 -1.191 0.058) 2.911 35.170 ( -10.463 17.001 0.793) 19.979 36.835 ( 5.782 -13.074 0.908) 14.324 49.997 ( -23.398 -18.066 22.750) 37.302======================= Grid point 523 (191/781) =======================q-point: (-0.30 0.25 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.620 ( -11.759 -3.325 1.259) 12.285 5.217 ( -18.430 4.253 2.182) 19.040 6.191 ( -13.517 13.088 -4.300) 19.301 6.931 ( -1.844 3.965 -0.913) 4.467 7.691 ( -2.203 -11.717 1.978) 12.085 8.968 ( 4.154 -0.455 -0.853) 4.265 10.282 ( -9.409 7.917 1.476) 12.385 13.587 ( 23.597 -5.496 -20.788) 31.924 19.704 ( 3.011 -0.837 -0.277) 3.138 35.115 ( -13.751 13.212 0.668) 19.081 36.803 ( 4.511 -11.696 0.462) 12.544 49.633 ( -11.510 -11.134 16.061) 22.681======================= Grid point 524 (192/781) =======================q-point: (-0.25 0.25 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.347 ( -17.471 -3.456 2.689) 18.012 4.902 ( -22.403 2.167 0.520) 22.513 6.070 ( -12.693 9.069 -1.309) 15.655 6.875 ( -10.450 4.677 1.148) 11.507 7.513 ( -5.550 -11.745 0.836) 13.017 9.048 ( 5.816 0.271 -1.110) 5.927 10.186 ( -9.765 4.802 1.022) 10.930 13.856 ( 20.187 -0.698 -17.178) 26.516 19.750 ( 3.319 -0.396 -0.950) 3.475 34.976 ( -14.961 8.052 0.588) 17.000 36.763 ( 1.894 -8.030 0.245) 8.254 49.521 ( 1.408 -6.319 14.795) 16.149======================= Grid point 525 (193/781) =======================q-point: (-0.20 0.25 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.995 ( -22.900 -2.048 6.670) 23.939 4.527 ( -24.088 0.857 1.218) 24.134 5.920 ( -12.816 4.469 0.203) 13.574 6.665 ( -19.254 1.938 2.536) 19.517 7.301 ( -8.544 -6.929 0.086) 11.001 9.160 ( 7.138 0.653 -0.174) 7.170 10.061 ( -9.222 1.932 0.734) 9.451 14.113 ( 15.571 3.833 -14.889) 21.882 19.800 ( 3.526 0.005 -1.887) 3.999 34.783 ( -14.429 3.190 0.530) 14.787 36.711 ( -1.450 -3.672 0.177) 3.952 49.673 ( 14.639 -3.813 19.993) 25.071======================= Grid point 526 (194/781) =======================q-point: (-0.15 0.25 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.606 ( -26.433 0.625 14.058) 29.946 4.119 ( -25.541 -0.081 2.310) 25.646 5.727 ( -12.852 0.143 0.674) 12.870 6.294 ( -26.260 -0.500 3.215) 26.461 7.093 ( -12.336 -0.152 0.115) 12.338 9.297 ( 7.887 0.607 2.073) 8.177 9.923 ( -8.077 -0.443 0.519) 8.106 14.335 ( 10.434 7.611 -13.951) 19.011 19.852 ( 3.549 0.241 -3.116) 4.729 34.567 ( -12.818 -0.313 0.456) 12.830 36.642 ( -4.834 0.291 -0.101) 4.844 50.092 ( 27.689 -3.823 33.028) 43.268======================= Grid point 527 (195/781) =======================q-point: (-0.10 0.25 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.244 ( -27.341 3.965 24.632) 37.014 3.684 ( -27.076 -0.124 3.046) 27.247 5.501 ( -12.707 -2.638 0.829) 13.005 5.819 ( -31.126 0.668 3.729) 31.356 6.878 ( -16.224 4.989 0.498) 16.981 9.445 ( 7.119 0.307 4.762) 8.571 9.791 ( -5.894 -2.207 0.685) 6.330 14.503 ( 5.629 10.096 -14.059) 18.201 19.898 ( 3.308 0.240 -4.683) 5.738 34.357 ( -10.680 -2.081 0.330) 10.886 36.550 ( -7.987 3.413 -1.213) 8.770 50.785 ( 40.746 -6.686 55.685) 69.324======================= Grid point 528 (196/781) =======================q-point: (-0.05 0.25 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.967 ( -25.560 7.278 36.843) 45.428 3.237 ( -28.030 1.600 3.614) 28.307 5.239 ( -24.781 4.134 5.039) 25.624 5.333 ( -21.559 -2.044 0.674) 21.666 6.647 ( -19.250 8.391 0.893) 21.018 9.535 ( -0.522 0.038 2.925) 2.972 9.729 ( 2.300 -3.098 5.290) 6.548 14.613 ( 2.134 10.408 -14.585) 18.044 19.930 ( 2.805 0.015 -6.465) 7.048 34.176 ( -8.364 -2.087 0.156) 8.622 36.426 ( -11.085 5.685 -3.824) 13.032 51.768 ( 55.060 -13.416 89.555) 105.980======================= Grid point 535 (197/781) =======================q-point: ( 0.30 0.30 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.130 ( -0.000 25.599 4.857) 26.055 3.910 ( -0.000 12.082 34.481) 36.537 5.118 ( 0.000 3.610 -0.878) 3.715 5.598 ( -0.000 37.332 18.838) 41.815 6.763 ( -0.000 20.605 7.127) 21.803 9.585 ( -0.000 2.784 0.735) 2.879 10.099 ( -0.000 -6.201 10.652) 12.325 12.911 ( 0.000 -24.326 -37.607) 44.789 19.659 ( 0.000 -2.219 -7.244) 7.577 34.147 ( -0.000 4.591 1.484) 4.825 36.181 ( 0.000 22.849 -3.995) 23.196 56.521 ( -0.000 -115.464 144.262) 184.780======================= Grid point 536 (198/781) =======================q-point: ( 0.35 0.30 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.466 ( 8.613 24.038 4.899) 26.000 4.165 ( 2.728 9.773 30.871) 32.496 5.196 ( 5.681 3.567 -1.325) 6.837 6.042 ( 2.522 35.325 15.469) 38.646 6.974 ( -0.551 18.078 6.262) 19.140 9.623 ( 1.076 2.018 0.894) 2.456 10.043 ( -1.367 -11.333 11.986) 16.552 12.580 ( 4.340 -19.275 -42.161) 46.561 19.615 ( 0.159 -1.569 -6.330) 6.524 34.229 ( 3.670 4.938 1.382) 6.306 36.393 ( 0.825 20.613 -1.727) 20.701 55.796 ( -19.713 -101.794 123.965) 161.610======================= Grid point 537 (199/781) =======================q-point: ( 0.40 0.30 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.905 ( 13.693 22.209 5.558) 26.677 4.420 ( 4.728 7.154 25.814) 27.201 5.365 ( 10.467 4.287 -1.946) 11.478 6.471 ( 3.246 31.518 11.688) 33.772 7.139 ( -1.232 14.417 5.290) 15.406 9.629 ( -1.526 -5.532 3.248) 6.594 9.966 ( 0.860 -7.437 8.701) 11.478 12.367 ( 9.174 -14.465 -43.618) 46.861 19.586 ( 0.445 -1.099 -4.945) 5.085 34.379 ( 7.086 6.114 1.344) 9.455 36.582 ( 0.266 16.548 0.065) 16.551 54.867 ( -32.498 -85.586 102.961) 137.775======================= Grid point 538 (200/781) =======================q-point: ( 0.45 0.30 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.378 ( 14.352 20.322 6.563) 25.730 4.652 ( 5.734 4.471 19.601) 20.906 5.612 ( 13.814 5.612 -2.016) 15.046 6.835 ( 1.666 26.550 5.973) 27.264 7.256 ( -0.868 9.658 5.529) 11.162 9.466 ( -5.605 -15.538 4.375) 17.087 10.034 ( 4.922 4.080 4.840) 8.018 12.267 ( 13.489 -12.640 -41.725) 45.637 19.571 ( 0.762 -0.912 -3.310) 3.517 34.592 ( 9.232 8.085 1.336) 12.345 36.716 ( -0.806 11.063 1.214) 11.159 53.853 ( -39.538 -69.356 82.440) 114.760======================= Grid point 539 (201/781) =======================q-point: ( 0.50 0.30 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.769 ( 5.890 10.374 9.664) 15.352 4.888 ( 11.235 10.154 10.996) 18.714 5.915 ( 15.273 6.967 -1.306) 16.837 7.044 ( -5.046 19.189 -4.541) 20.355 7.372 ( 3.401 5.802 9.725) 11.824 9.228 ( -5.477 -14.903 2.222) 16.033 10.207 ( 4.654 9.861 4.877) 11.945 12.249 ( 17.467 -13.586 -38.216) 44.160 19.568 ( 1.081 -0.947 -1.753) 2.267 34.849 ( 9.425 10.824 1.284) 14.410 36.776 ( -1.683 4.465 1.722) 5.073 52.837 ( -42.019 -54.293 63.229) 93.334======================= Grid point 540 (202/781) =======================q-point: ( 0.55 0.30 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.899 ( 1.344 1.936 7.446) 7.810 5.248 ( 9.558 14.726 8.410) 19.466 6.238 ( 14.639 7.754 -0.463) 16.573 7.016 ( -10.812 11.194 -10.891) 18.995 7.538 ( 5.584 2.605 9.665) 11.462 9.032 ( -3.548 -10.320 0.787) 10.941 10.398 ( 1.436 13.514 5.652) 14.719 12.302 ( 21.816 -15.065 -34.015) 43.127 19.575 ( 1.423 -1.063 -0.576) 1.867 35.118 ( 7.112 14.235 1.150) 15.954 36.761 ( -1.625 -2.888 1.705) 3.727 51.881 ( -40.768 -40.928 46.037) 73.869======================= Grid point 541 (203/781) =======================q-point: ( 0.60 0.30 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.929 ( -1.358 -0.140 4.305) 4.516 5.525 ( 3.236 12.741 7.757) 15.264 6.543 ( 12.828 7.029 -0.421) 14.634 6.853 ( -13.920 8.964 -12.366) 20.665 7.655 ( 4.449 -3.191 6.931) 8.833 8.918 ( -1.105 -5.593 0.260) 5.707 10.541 ( -3.595 14.337 5.564) 15.793 12.442 ( 26.187 -14.192 -28.787) 41.423 19.591 ( 1.811 -1.114 0.043) 2.126 35.357 ( 1.718 17.825 0.960) 17.933 36.688 ( 0.308 -10.225 1.342) 10.317 51.033 ( -36.309 -29.498 31.587) 56.446======================= Grid point 542 (204/781) =======================q-point: ( 0.65 0.30 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.885 ( -4.532 -1.346 2.672) 5.431 5.642 ( -5.461 8.841 5.503) 11.759 6.639 ( -9.140 2.224 -11.670) 14.989 6.815 ( 4.273 14.416 1.159) 15.080 7.673 ( 2.256 -8.969 4.328) 10.210 8.881 ( 1.112 -2.447 -0.125) 2.691 10.587 ( -8.078 11.560 4.178) 14.709 12.692 ( 28.647 -9.592 -22.541) 37.693 19.615 ( 2.238 -0.998 0.089) 2.452 35.505 ( -6.736 19.335 0.784) 20.490 36.604 ( 4.603 -14.997 0.842) 15.710 50.338 ( -29.011 -20.117 20.656) 40.903======================= Grid point 543 (205/781) =======================q-point: (-0.30 0.30 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.771 ( -8.284 -1.894 2.473) 8.850 5.548 ( -14.401 4.223 1.531) 15.086 6.479 ( -10.560 6.067 -5.303) 13.283 7.004 ( 1.514 12.156 0.886) 12.282 7.595 ( -0.040 -13.039 2.265) 13.234 8.900 ( 2.942 -0.776 -0.620) 3.106 10.531 ( -10.419 6.969 2.489) 12.780 13.037 ( 27.965 -3.013 -16.631) 32.676 19.647 ( 2.669 -0.690 -0.325) 2.776 35.494 ( -14.562 14.590 0.632) 20.623 36.578 ( 8.138 -12.766 0.460) 15.147 49.834 ( -19.261 -12.882 14.050) 27.099======================= Grid point 544 (206/781) =======================q-point: (-0.25 0.30 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.590 ( -12.615 -1.566 3.774) 13.260 5.281 ( -19.835 1.335 -0.219) 19.881 6.342 ( -11.563 5.103 -0.320) 12.643 7.086 ( -5.867 9.357 1.552) 11.153 7.457 ( -1.319 -11.950 0.519) 12.033 8.958 ( 4.625 0.136 -0.883) 4.711 10.403 ( -10.901 2.658 1.326) 11.299 13.431 ( 24.718 3.273 -12.307) 27.806 19.688 ( 3.043 -0.251 -1.035) 3.224 35.322 ( -17.257 6.140 0.480) 18.323 36.621 ( 6.919 -5.895 0.380) 9.098 49.556 ( -7.569 -7.921 12.550) 16.659======================= Grid point 545 (207/781) =======================q-point: (-0.20 0.30 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.349 ( -17.135 -0.134 7.074) 18.538 4.928 ( -22.320 -0.210 0.732) 22.333 6.170 ( -13.112 1.231 1.599) 13.267 6.969 ( -13.759 -0.330 2.805) 14.046 7.359 ( -3.333 -0.572 -0.604) 3.436 9.051 ( 6.278 0.579 -0.378) 6.316 10.236 ( -10.307 -0.589 0.705) 10.347 13.824 ( 19.904 8.245 -10.037) 23.767 19.736 ( 3.279 0.183 -1.924) 3.807 35.062 ( -16.478 -0.312 0.378) 16.485 36.681 ( 2.964 0.004 0.529) 3.011 49.528 ( 5.423 -5.387 16.891) 18.540======================= Grid point 546 (208/781) =======================q-point: (-0.15 0.30 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.075 ( -20.883 2.331 12.992) 24.705 4.539 ( -23.706 -1.134 2.199) 23.834 5.937 ( -13.603 -3.765 1.552) 14.199 6.683 ( -19.250 -2.169 3.888) 19.758 7.294 ( -8.195 6.313 -0.496) 10.357 9.176 ( 7.731 0.527 1.220) 7.844 10.057 ( -9.197 -2.676 0.372) 9.586 14.173 ( 14.307 11.570 -9.912) 20.900 19.786 ( 3.296 0.463 -2.961) 4.455 34.780 ( -14.412 -3.745 0.324) 14.895 36.716 ( -1.404 3.897 0.662) 4.195 49.766 ( 19.095 -5.455 27.773) 34.142======================= Grid point 547 (209/781) =======================q-point: (-0.10 0.30 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.805 ( -22.884 5.382 21.496) 31.854 4.128 ( -24.823 -1.097 3.023) 25.031 5.661 ( -12.556 -7.580 0.599) 14.679 6.328 ( -24.659 2.194 5.501) 25.360 7.192 ( -12.689 9.014 -0.192) 15.566 9.328 ( 8.634 0.043 3.765) 9.419 9.883 ( -7.789 -3.646 0.203) 8.602 14.446 ( 8.602 12.989 -11.807) 19.548 19.831 ( 3.036 0.495 -4.171) 5.183 34.517 ( -11.892 -4.678 0.271) 12.782 36.711 ( -5.463 6.238 0.390) 8.301 50.278 ( 33.092 -8.380 45.814) 57.134======================= Grid point 548 (210/781) =======================q-point: (-0.05 0.30 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.585 ( -22.875 8.359 31.325) 39.678 3.713 ( -25.368 0.779 3.426) 25.610 5.389 ( -10.190 -8.066 -0.501) 13.006 5.945 ( -29.515 8.076 7.451) 31.494 7.041 ( -16.282 10.359 0.134) 19.299 9.488 ( 7.757 -0.356 6.123) 9.888 9.734 ( -5.226 -3.816 0.782) 6.519 14.619 ( 3.450 12.111 -15.319) 19.830 19.864 ( 2.512 0.272 -5.521) 6.072 34.298 ( -9.239 -3.619 0.198) 9.925 36.654 ( -9.185 7.485 -0.730) 11.871 51.066 ( 47.452 -14.745 71.142) 86.777======================= Grid point 556 (211/781) =======================q-point: ( 0.35 0.35 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.636 ( -0.000 22.744 4.209) 23.131 4.342 ( -0.000 7.837 27.980) 29.056 5.169 ( 0.000 2.403 -1.265) 2.715 6.419 ( -0.000 34.116 13.737) 36.778 7.170 ( -0.000 16.436 4.528) 17.048 9.637 ( -0.000 2.073 0.343) 2.101 9.958 ( -0.000 -18.036 12.819) 22.128 12.216 ( 0.000 -14.222 -42.866) 45.164 19.579 ( 0.000 -0.998 -5.379) 5.471 34.244 ( -0.000 4.209 1.189) 4.374 36.586 ( -0.000 20.165 -0.254) 20.166 55.441 ( -0.000 -94.433 108.475) 143.821======================= Grid point 557 (212/781) =======================q-point: ( 0.40 0.35 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.939 ( 8.524 20.903 4.237) 22.968 4.523 ( 1.893 5.621 23.947) 24.671 5.240 ( 6.528 1.965 -1.691) 7.024 6.792 ( 0.577 30.976 11.465) 33.035 7.319 ( -1.492 13.736 2.683) 14.075 9.621 ( -3.462 -6.544 2.827) 7.925 9.849 ( 4.729 -13.640 8.502) 16.754 11.979 ( 3.947 -9.093 -40.860) 42.046 19.555 ( 0.204 -0.546 -4.062) 4.103 34.329 ( 4.783 4.302 1.063) 6.520 36.764 ( -1.191 17.617 0.914) 17.681 54.821 ( -15.631 -82.372 90.969) 123.712======================= Grid point 558 (213/781) =======================q-point: ( 0.45 0.35 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.343 ( 13.864 18.625 4.904) 23.731 4.692 ( 3.054 3.428 18.909) 19.458 5.412 ( 12.416 2.142 -2.345) 12.816 7.114 ( -0.418 26.631 7.828) 27.761 7.405 ( -2.974 10.009 1.736) 10.584 9.413 ( -5.602 -18.234 4.347) 19.564 9.946 ( 9.704 -0.194 4.326) 10.626 11.846 ( 6.741 -7.240 -36.814) 38.120 19.544 ( 0.405 -0.355 -2.573) 2.629 34.497 ( 9.310 5.077 1.001) 10.651 36.884 ( -3.447 13.513 1.610) 14.038 54.036 ( -26.683 -68.299 72.830) 103.348======================= Grid point 559 (214/781) =======================q-point: ( 0.50 0.35 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.776 ( 12.977 14.737 6.709) 20.751 4.837 ( 5.456 2.793 12.460) 13.886 5.675 ( 16.783 2.673 -2.711) 17.209 7.319 ( -5.906 20.594 -4.965) 21.992 7.454 ( -0.887 6.545 9.551) 11.612 9.166 ( -4.337 -16.540 2.438) 17.272 10.172 ( 11.380 5.822 5.295) 13.837 11.771 ( 9.152 -8.874 -32.768) 35.160 19.542 ( 0.604 -0.413 -1.192) 1.398 34.744 ( 12.627 6.476 0.944) 14.222 36.917 ( -6.027 8.287 1.814) 10.406 53.173 ( -33.458 -54.069 55.153) 84.171======================= Grid point 560 (215/781) =======================q-point: ( 0.55 0.35 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.917 ( 1.685 0.624 8.604) 8.790 5.205 ( 14.245 12.661 5.997) 19.980 5.994 ( 18.492 2.918 -2.681) 18.912 7.281 ( -10.633 11.504 -11.114) 19.207 7.571 ( 0.162 6.208 11.084) 12.705 8.980 ( -2.359 -11.315 1.282) 11.629 10.466 ( 9.592 11.750 8.011) 17.154 11.733 ( 13.284 -12.620 -29.772) 34.959 19.546 ( 0.842 -0.591 -0.173) 1.043 35.047 ( 14.090 8.504 0.832) 16.479 36.854 ( -8.302 2.274 1.620) 8.759 52.298 ( -36.395 -40.817 38.898) 67.109======================= Grid point 561 (216/781) =======================q-point: ( 0.60 0.35 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.956 ( -0.101 -0.532 5.211) 5.239 5.547 ( 10.271 9.916 5.135) 15.172 6.311 ( 16.864 1.894 -2.720) 17.186 7.148 ( -12.057 10.851 -10.875) 19.530 7.633 ( -0.885 -0.150 8.337) 8.385 8.876 ( -0.501 -6.224 0.721) 6.286 10.743 ( 1.518 15.862 10.073) 18.851 11.778 ( 22.041 -14.785 -26.248) 37.328 19.557 ( 1.169 -0.723 0.333) 1.414 35.379 ( 13.100 11.357 0.655) 17.349 36.698 ( -9.483 -4.392 1.185) 10.518 51.466 ( -35.838 -29.194 24.972) 52.539======================= Grid point 562 (217/781) =======================q-point: ( 0.65 0.35 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.943 ( -2.399 -1.165 3.282) 4.229 5.759 ( 2.906 6.332 2.684) 7.466 6.541 ( 9.842 -0.609 -3.593) 10.495 7.055 ( -8.030 15.035 -6.486) 18.237 7.600 ( -1.773 -7.322 5.634) 9.407 8.840 ( 0.912 -2.714 0.251) 2.874 10.854 ( -7.885 11.153 6.660) 15.196 12.028 ( 30.522 -7.924 -17.720) 36.172 19.575 ( 1.597 -0.677 0.317) 1.763 35.697 ( 7.873 15.818 0.475) 17.676 36.472 ( -7.413 -12.186 0.676) 14.280 50.728 ( -32.027 -19.568 14.264) 40.151======================= Grid point 563 (218/781) =======================q-point: (-0.30 0.35 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.879 ( -5.124 -1.282 2.729) 5.945 5.766 ( -7.052 1.739 -1.234) 7.368 6.600 ( -1.070 1.915 -1.271) 2.536 7.137 ( -0.174 16.161 -1.933) 16.277 7.480 ( -1.874 -13.720 2.998) 14.169 8.849 ( 2.041 -0.721 -0.223) 2.176 10.775 ( -10.852 3.413 2.542) 11.656 12.479 ( 31.152 2.062 -9.354) 32.591 19.601 ( 2.087 -0.403 -0.110) 2.128 35.875 ( -10.888 16.975 0.393) 20.170 36.296 ( 7.697 -15.920 0.232) 17.684 50.130 ( -25.200 -12.162 7.616) 28.999======================= Grid point 564 (219/781) =======================q-point: (-0.25 0.35 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.768 ( -8.219 -0.734 3.539) 8.979 5.570 ( -14.435 -1.455 -2.877) 14.790 6.557 ( -8.219 3.841 3.258) 9.639 7.254 ( -4.370 3.089 0.926) 5.431 7.342 ( 2.933 -5.078 -0.724) 5.909 8.890 ( 3.265 0.279 -0.591) 3.329 10.602 ( -11.060 -1.534 0.851) 11.199 13.010 ( 27.925 9.069 -4.770) 29.746 19.636 ( 2.550 0.042 -0.789) 2.669 35.663 ( -18.865 -0.402 0.199) 18.870 36.427 ( 12.028 -0.166 0.231) 12.032 49.714 ( -15.708 -7.137 5.768) 18.192======================= Grid point 565 (220/781) =======================q-point: (-0.20 0.35 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.618 ( -11.515 0.575 5.918) 12.959 5.259 ( -18.280 -2.893 -1.617) 18.578 6.404 ( -13.514 -1.146 4.513) 14.294 7.097 ( -5.418 -9.808 2.081) 11.397 7.433 ( -0.593 10.595 -1.338) 10.695 8.960 ( 4.831 0.626 -0.617) 4.910 10.392 ( -10.460 -4.227 0.358) 11.288 13.538 ( 23.117 13.367 -3.239) 26.899 19.681 ( 2.870 0.516 -1.586) 3.320 35.318 ( -17.172 -6.756 0.124) 18.453 36.622 ( 7.099 5.619 0.472) 9.066 49.517 ( -4.071 -4.627 9.285) 11.144======================= Grid point 566 (221/781) =======================q-point: (-0.15 0.35 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.443 ( -14.560 2.607 10.210) 17.973 4.899 ( -20.447 -3.309 0.420) 20.717 6.126 ( -14.908 -8.506 3.170) 17.454 6.919 ( -10.020 -3.085 4.322) 11.340 7.488 ( -4.910 10.929 -1.130) 12.035 9.061 ( 6.640 0.419 0.033) 6.653 10.178 ( -9.460 -5.366 0.249) 10.879 14.008 ( 17.396 15.459 -4.341) 23.674 19.729 ( 2.942 0.846 -2.440) 3.914 34.971 ( -14.869 -8.493 0.155) 17.124 36.769 ( 2.204 7.839 0.824) 8.185 49.565 ( 9.066 -4.749 18.505) 21.147======================= Grid point 567 (222/781) =======================q-point: (-0.10 0.35 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.265 ( -16.700 5.077 16.538) 24.045 4.516 ( -21.933 -2.532 1.985) 22.168 5.788 ( -13.508 -12.176 1.472) 18.245 6.722 ( -16.116 3.243 6.685) 17.746 7.472 ( -9.051 10.839 -0.901) 14.150 9.191 ( 8.371 -0.302 1.596) 8.527 9.977 ( -8.236 -5.250 0.210) 9.769 14.379 ( 11.195 15.482 -7.891) 20.672 19.775 ( 2.706 0.904 -3.354) 4.403 34.662 ( -12.267 -7.843 0.209) 14.561 36.853 ( -2.317 8.652 1.070) 9.021 49.874 ( 23.069 -7.638 33.455) 41.349======================= Grid point 568 (223/781) =======================q-point: (-0.05 0.35 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.105 ( -18.278 3.896 17.596) 25.669 4.143 ( -22.028 3.660 9.685) 24.340 5.469 ( -10.591 -11.200 0.044) 15.415 6.488 ( -21.732 8.191 8.591) 24.762 7.389 ( -12.749 10.705 -0.666) 16.660 9.346 ( 9.647 -1.404 3.944) 10.516 9.804 ( -6.847 -4.062 0.198) 7.964 14.617 ( 4.969 13.415 -13.515) 19.680 19.810 ( 2.183 0.658 -4.334) 4.897 34.414 ( -9.494 -5.478 0.244) 10.964 36.867 ( -6.479 8.636 0.892) 10.833 50.447 ( 37.388 -13.556 53.644) 66.778======================= Grid point 577 (224/781) =======================q-point: ( 0.40 0.40 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.076 ( -0.000 19.387 3.487) 19.698 4.639 ( -0.000 3.612 21.134) 21.441 5.188 ( 0.000 0.541 -1.572) 1.663 7.122 ( -0.000 28.293 10.509) 30.182 7.463 ( -0.000 11.879 -0.207) 11.880 9.598 ( -0.000 -26.094 8.614) 27.479 9.672 ( -0.000 1.361 0.108) 1.366 11.743 ( 0.000 -3.714 -35.234) 35.430 19.537 ( 0.000 -0.105 -2.893) 2.895 34.327 ( -0.000 3.464 0.834) 3.562 36.949 ( -0.000 16.365 1.550) 16.438 54.504 ( -0.000 -74.035 76.231) 106.265======================= Grid point 578 (225/781) =======================q-point: ( 0.45 0.40 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.341 ( 8.332 17.271 3.488) 19.491 4.751 ( 1.330 1.712 17.409) 17.544 5.243 ( 7.229 -0.224 -1.968) 7.496 7.408 ( -0.913 23.885 9.080) 25.569 7.543 ( -2.154 9.373 -3.049) 10.089 9.323 ( -4.546 -22.643 4.741) 23.576 9.774 ( 9.447 -0.524 1.448) 9.572 11.615 ( 1.556 -1.486 -28.600) 28.681 19.530 ( 0.132 0.080 -1.616) 1.624 34.410 ( 5.715 3.307 0.688) 6.638 37.079 ( -2.797 13.421 1.828) 13.831 53.984 ( -12.981 -62.577 60.115) 87.739======================= Grid point 579 (226/781) =======================q-point: ( 0.50 0.40 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.699 ( 13.560 14.359 3.970) 20.144 4.847 ( 2.027 0.214 13.075) 13.233 5.411 ( 13.950 -0.291 -2.622) 14.198 7.547 ( -4.897 8.071 -7.811) 12.253 7.616 ( -2.275 16.825 9.565) 19.487 9.073 ( -3.118 -17.604 2.863) 18.106 9.990 ( 14.826 1.479 2.665) 15.136 11.529 ( 1.457 -2.128 -22.707) 22.853 19.530 ( 0.215 0.007 -0.458) 0.506 34.588 ( 11.126 3.595 0.581) 11.707 37.122 ( -6.352 9.410 1.736) 11.485 53.329 ( -22.772 -49.857 43.811) 70.169======================= Grid point 580 (227/781) =======================q-point: ( 0.55 0.40 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.919 ( 1.862 -0.756 8.851) 9.076 5.082 ( 15.144 10.441 3.966) 18.817 5.680 ( 18.753 0.397 -2.829) 18.969 7.478 ( -7.253 6.149 -9.788) 13.647 7.729 ( -4.076 10.382 8.071) 13.768 8.905 ( -1.216 -11.304 2.069) 11.555 10.325 ( 19.352 5.198 4.753) 20.594 11.439 ( 0.812 -4.542 -18.220) 18.795 19.533 ( 0.321 -0.206 0.382) 0.539 34.853 ( 15.397 4.130 0.451) 15.948 37.059 ( -10.057 4.915 1.357) 11.276 52.600 ( -29.256 -37.302 28.406) 55.265======================= Grid point 581 (228/781) =======================q-point: ( 0.60 0.40 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.960 ( 0.971 -1.349 5.444) 5.692 5.426 ( 14.276 6.120 2.431) 15.721 6.008 ( 19.605 1.162 -1.947) 19.736 7.362 ( -8.509 6.293 -10.439) 14.866 7.741 ( -5.818 3.307 6.997) 9.682 8.822 ( 0.239 -5.891 1.513) 6.087 10.773 ( 20.612 11.350 9.092) 25.226 11.328 ( 1.963 -8.959 -16.542) 18.915 19.540 ( 0.530 -0.381 0.789) 1.024 35.182 ( 18.076 4.647 0.261) 18.665 36.891 ( -13.485 0.571 0.832) 13.523 51.852 ( -32.434 -25.899 14.924) 44.107======================= Grid point 582 (229/781) =======================q-point: ( 0.65 0.40 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.967 ( -0.484 -1.616 3.195) 3.613 5.684 ( 10.625 1.896 -0.726) 10.817 6.322 ( 15.939 1.398 -0.145) 16.001 7.261 ( -6.616 8.038 -8.478) 13.426 7.651 ( -7.524 -3.470 5.418) 9.899 8.801 ( 1.067 -2.189 0.931) 2.607 11.111 ( -8.617 6.038 5.946) 12.086 11.395 ( 31.875 -1.465 -8.132) 32.928 19.551 ( 0.890 -0.368 0.760) 1.227 35.543 ( 19.122 4.532 0.037) 19.651 36.629 ( -16.411 -2.669 0.319) 16.630 51.134 ( -32.306 -16.290 4.339) 36.440======================= Grid point 583 (230/781) =======================q-point: (-0.30 -0.60 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.938 ( -2.308 -1.501 2.123) 3.477 5.788 ( 2.702 -2.499 -4.514) 5.824 6.558 ( 9.153 2.759 2.599) 9.907 7.255 ( -0.764 8.072 -4.249) 9.154 7.469 ( -8.621 -8.044 2.614) 12.078 8.815 ( 1.507 -0.043 0.400) 1.560 10.948 ( -8.631 -5.135 -1.706) 10.187 11.997 ( 30.748 11.987 3.618) 33.200 19.570 ( 1.379 -0.099 0.388) 1.436 35.895 ( 18.853 -0.278 -0.147) 18.855 36.305 ( -18.800 -0.456 -0.046) 18.805 50.496 ( -28.897 -8.879 -2.457) 30.330======================= Grid point 584 (231/781) =======================q-point: (-0.25 0.40 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.878 ( -4.370 -0.900 2.249) 4.997 5.693 ( -6.085 -5.731 -6.135) 10.369 6.704 ( 0.382 5.924 6.304) 8.659 7.180 ( -4.458 -17.910 1.463) 18.514 7.400 ( 1.017 12.095 -3.532) 12.641 8.850 ( 1.983 0.928 -0.061) 2.190 10.731 ( -8.917 -7.547 -1.309) 11.755 12.655 ( 28.287 16.352 5.634) 33.155 19.599 ( 1.903 0.372 -0.194) 1.948 35.868 ( -10.859 -17.604 -0.227) 20.685 36.292 ( 7.906 15.242 -0.166) 17.171 49.985 ( -22.340 -3.910 -4.719) 23.165======================= Grid point 585 (232/781) =======================q-point: (-0.20 0.40 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.793 ( -6.575 0.220 3.690) 7.543 5.454 ( -11.658 -7.030 -5.001) 14.503 6.643 ( -14.680 -3.297 7.427) 16.779 7.009 ( 3.356 -10.667 0.613) 11.199 7.538 ( 1.576 11.710 -2.243) 12.026 8.900 ( 2.933 1.056 -0.465) 3.151 10.497 ( -9.014 -8.388 -0.574) 12.327 13.293 ( 24.437 18.526 5.144) 31.094 19.639 ( 2.319 0.897 -0.866) 2.633 35.484 ( -14.404 -15.066 -0.195) 20.845 36.573 ( 8.504 12.149 0.011) 14.829 49.645 ( -12.969 -1.519 -1.937) 13.201======================= Grid point 586 (233/781) =======================q-point: (-0.15 0.40 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.692 ( -8.732 1.793 6.653) 11.124 5.146 ( -14.781 -6.811 -2.878) 16.527 6.294 ( -16.268 -14.346 4.014) 22.058 7.009 ( -1.032 0.439 4.486) 4.624 7.645 ( -1.231 10.870 -1.597) 11.056 8.968 ( 4.555 0.568 -0.676) 4.640 10.266 ( -8.605 -8.175 -0.057) 11.870 13.861 ( 19.274 18.885 2.363) 27.087 19.686 ( 2.487 1.279 -1.561) 3.203 35.106 ( -13.567 -13.531 -0.057) 19.161 36.802 ( 5.077 11.133 0.413) 12.243 49.514 ( -1.341 -1.762 6.059) 6.451======================= Grid point 587 (234/781) =======================q-point: (-0.10 0.40 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.588 ( -10.584 3.381 11.279) 15.832 4.814 ( -16.698 -4.721 -0.929) 17.377 5.892 ( -14.406 -16.344 2.350) 21.913 6.986 ( -7.598 4.791 6.793) 11.262 7.691 ( -4.960 10.181 -1.169) 11.385 9.061 ( 6.647 -0.412 -0.359) 6.669 10.054 ( -7.726 -6.979 0.202) 10.414 14.313 ( 13.131 17.460 -2.741) 22.017 19.733 ( 2.321 1.364 -2.268) 3.521 34.773 ( -11.585 -11.049 0.102) 16.010 36.960 ( 1.001 10.169 0.924) 10.260 49.618 ( 11.823 -4.653 19.012) 22.867======================= Grid point 588 (235/781) =======================q-point: (-0.05 0.40 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.443 ( -16.064 -1.513 6.898) 17.548 4.544 ( -13.613 5.768 11.092) 18.483 5.530 ( -11.151 -14.148 1.134) 18.049 6.896 ( -13.615 7.712 8.393) 17.756 7.667 ( -8.733 9.611 -0.894) 13.017 9.181 ( 8.761 -1.838 0.778) 8.985 9.876 ( -6.536 -4.840 0.264) 8.137 14.611 ( 6.436 14.306 -9.889) 18.544 19.770 ( 1.832 1.091 -2.998) 3.678 34.509 ( -9.035 -7.441 0.231) 11.708 37.039 ( -3.170 8.955 1.316) 9.591 49.968 ( 25.713 -10.220 36.140) 45.516======================= Grid point 598 (236/781) =======================q-point: ( 0.45 0.45 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.441 ( -0.000 15.636 2.730) 15.873 4.809 ( -0.000 -0.058 14.979) 14.979 5.163 ( 0.000 -1.856 -1.761) 2.559 7.620 ( -0.000 5.693 1.896) 6.000 7.671 ( -0.000 21.603 -0.074) 21.603 9.151 ( -0.000 -22.847 4.393) 23.266 9.693 ( -0.000 0.769 0.082) 0.773 11.516 ( 0.000 1.319 -20.025) 20.069 19.527 ( 0.000 0.263 -0.585) 0.641 34.389 ( -0.000 2.435 0.463) 2.479 37.234 ( -0.000 11.385 1.755) 11.520 53.727 ( -0.000 -53.418 45.552) 70.204======================= Grid point 599 (237/781) =======================q-point: ( 0.50 0.45 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.660 ( 7.808 13.092 2.595) 15.463 4.863 ( 1.084 -1.410 11.840) 11.973 5.200 ( 7.945 -2.647 -2.042) 8.620 7.636 ( -2.275 4.247 -6.121) 7.790 7.847 ( -2.162 15.680 3.946) 16.313 8.954 ( -1.367 -16.694 3.754) 17.166 9.785 ( 9.782 0.392 0.555) 9.806 11.466 ( -0.884 1.822 -12.422) 12.586 19.529 ( 0.012 0.190 0.351) 0.399 34.466 ( 6.376 2.046 0.301) 6.703 37.304 ( -3.911 8.179 1.402) 9.174 53.307 ( -11.265 -42.333 30.332) 53.282======================= Grid point 600 (238/781) =======================q-point: ( 0.55 0.45 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.907 ( 1.815 -2.063 8.097) 8.551 4.952 ( 12.052 8.429 2.469) 14.912 5.369 ( 15.716 -1.635 -2.090) 15.938 7.586 ( -4.542 3.467 -8.943) 10.613 7.927 ( -4.481 9.138 4.040) 10.950 8.824 ( -0.370 -9.832 3.349) 10.393 10.028 ( 18.047 0.820 0.732) 18.081 11.418 ( -3.031 1.708 -5.234) 6.285 19.533 ( -0.008 -0.022 1.044) 1.044 34.644 ( 12.292 1.805 0.142) 12.425 37.268 ( -8.180 4.533 0.855) 9.392 52.770 ( -20.241 -30.742 15.584) 39.970======================= Grid point 601 (239/781) =======================q-point: ( 0.60 0.45 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.938 ( 1.721 -2.598 4.974) 5.870 5.231 ( 13.806 2.498 0.194) 14.031 5.671 ( 20.397 0.803 -0.620) 20.422 7.492 ( -6.096 3.604 -10.057) 12.301 7.906 ( -6.723 2.628 4.152) 8.328 8.771 ( 0.660 -4.346 2.667) 5.142 10.403 ( 25.128 0.556 -1.384) 25.172 11.361 ( -5.677 3.229 3.361) 7.345 19.537 ( 0.053 -0.193 1.409) 1.423 34.908 ( 16.931 1.314 -0.063) 16.982 37.125 ( -12.220 1.234 0.246) 12.285 52.161 ( -26.565 -19.805 2.394) 33.222======================= Grid point 602 (240/781) =======================q-point: (-0.35 -0.55 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.951 ( 1.140 -2.729 2.374) 3.793 5.462 ( 13.812 -2.129 -2.893) 14.271 6.032 ( 20.042 1.567 1.397) 20.151 7.388 ( -5.791 4.197 -9.149) 11.613 7.785 ( -8.963 -3.205 3.692) 10.210 8.773 ( 1.109 -0.568 1.864) 2.242 10.804 ( 24.232 -7.406 -11.074) 27.653 11.377 ( -2.126 13.182 18.458) 22.781 19.543 ( 0.280 -0.164 1.441) 1.477 35.226 ( 19.667 -0.211 -0.310) 19.670 36.892 ( -15.437 -0.575 -0.290) 15.451 51.523 ( -29.944 -10.393 -8.205) 32.741======================= Grid point 603 (241/781) =======================q-point: (-0.30 -0.55 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.942 ( 0.173 -2.565 0.655) 2.653 5.613 ( 9.988 -5.964 -5.889) 13.038 6.366 ( 16.628 1.172 2.900) 16.919 7.325 ( -3.163 3.850 -4.904) 6.991 7.577 ( -10.335 -6.645 1.118) 12.337 8.804 ( 1.042 1.643 1.195) 2.283 10.875 ( 4.466 -13.307 -10.110) 17.298 11.789 ( 18.168 21.235 21.385) 35.190 19.555 ( 0.687 0.136 1.196) 1.386 35.537 ( 19.123 -5.021 -0.529) 19.778 36.617 ( -16.295 1.661 -0.650) 16.392 50.903 ( -30.129 -3.106 -15.270) 33.920======================= Grid point 604 (242/781) =======================q-point: (-0.25 -0.55 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.913 ( -0.988 -2.024 -0.053) 2.253 5.620 ( 2.603 -9.352 -7.580) 12.316 6.634 ( 13.028 0.526 3.127) 13.408 7.201 ( -12.168 -10.851 5.762) 17.292 7.449 ( 1.279 5.736 -7.054) 9.181 8.844 ( 0.797 2.540 0.678) 2.747 10.724 ( -2.912 -12.472 -4.646) 13.624 12.443 ( 23.945 22.126 17.768) 37.130 19.579 ( 1.200 0.656 0.765) 1.566 35.684 ( 7.905 -16.353 -0.606) 18.173 36.454 ( -7.101 11.393 -0.804) 13.449 50.348 ( -26.980 1.691 -18.012) 32.484======================= Grid point 605 (243/781) =======================q-point: (-0.20 -0.55 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.871 ( -2.244 -1.075 0.400) 2.520 5.474 ( -4.065 -11.197 -7.104) 13.870 6.790 ( 0.696 -18.772 -1.502) 18.845 6.897 ( -6.694 4.019 9.040) 11.945 7.567 ( 5.148 8.072 -4.256) 10.477 8.883 ( 0.835 2.439 0.210) 2.587 10.520 ( -5.624 -11.683 -1.905) 13.105 13.125 ( 23.327 22.304 14.400) 35.341 19.614 ( 1.672 1.237 0.235) 2.093 35.490 ( -6.557 -19.717 -0.515) 20.785 36.586 ( 5.060 14.243 -0.713) 15.132 49.906 ( -20.564 3.837 -15.908) 26.280======================= Grid point 606 (244/781) =======================q-point: (-0.15 0.45 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.822 ( -3.538 0.235 2.237) 4.193 5.235 ( -8.017 -11.073 -5.376) 14.689 6.399 ( -14.204 -20.854 1.610) 25.283 7.026 ( 3.639 5.366 4.959) 8.162 7.712 ( 3.666 8.005 -2.368) 9.117 8.923 ( 1.600 1.641 -0.293) 2.311 10.302 ( -6.552 -10.497 -0.556) 12.387 13.750 ( 19.720 21.253 9.719) 30.578 19.659 ( 1.938 1.671 -0.338) 2.581 35.157 ( -10.202 -17.241 -0.301) 20.036 36.819 ( 6.443 12.335 -0.363) 13.921 49.623 ( -11.240 3.336 -8.826) 14.675======================= Grid point 607 (245/781) =======================q-point: (-0.10 0.45 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.776 ( -4.923 1.516 6.016) 7.920 4.965 ( -9.968 -8.569 -3.967) 13.731 5.966 ( -13.921 -19.659 1.581) 24.141 7.126 ( -0.512 5.647 4.964) 7.535 7.816 ( 0.222 7.719 -1.182) 7.812 8.971 ( 3.304 0.363 -0.759) 3.409 10.098 ( -6.377 -8.593 0.035) 10.701 14.259 ( 14.250 18.719 3.154) 23.736 19.707 ( 1.874 1.781 -0.930) 2.747 34.834 ( -9.804 -13.691 -0.060) 16.840 37.020 ( 4.034 10.356 0.213) 11.116 49.535 ( 0.333 0.299 2.865) 2.900======================= Grid point 608 (246/781) =======================q-point: (-0.05 0.45 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.670 ( -11.556 -4.625 4.525) 13.244 4.780 ( -5.508 3.736 3.732) 7.630 5.578 ( -11.461 -16.523 1.586) 20.171 7.154 ( -5.530 6.380 5.478) 10.065 7.856 ( -3.877 7.381 -0.383) 8.346 9.039 ( 5.702 -1.276 -0.881) 5.909 9.927 ( -5.485 -5.877 0.203) 8.041 14.605 ( 7.633 14.744 -5.182) 17.393 19.747 ( 1.455 1.488 -1.539) 2.588 34.571 ( -7.878 -9.249 0.141) 12.150 37.152 ( 0.427 8.346 0.882) 8.404 49.666 ( 13.270 -5.119 18.237) 23.128======================= Grid point 619 (247/781) =======================q-point: ( 0.50 0.50 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.721 ( -0.000 11.101 1.751) 11.238 4.874 ( -0.000 -2.785 9.722) 10.113 5.090 ( 0.000 -4.128 -1.623) 4.436 7.663 ( 0.000 2.966 -8.129) 8.653 8.008 ( -0.000 10.786 2.136) 10.996 8.836 ( -0.000 -12.448 4.716) 13.311 9.704 ( -0.000 0.316 0.217) 0.383 11.471 ( 0.000 3.190 -3.784) 4.949 19.534 ( -0.000 0.136 1.121) 1.129 34.427 ( -0.000 1.212 0.100) 1.216 37.410 ( -0.000 5.537 0.851) 5.602 53.123 ( -0.000 -32.600 15.856) 36.251======================= Grid point 620 (248/781) =======================q-point: ( 0.55 0.50 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.870 ( 6.081 5.632 0.602) 8.310 4.884 ( 1.323 -3.478 6.934) 7.869 5.125 ( 9.430 -2.447 -0.905) 9.785 7.636 ( -2.231 2.602 -9.847) 10.427 8.069 ( -2.638 4.942 1.439) 5.784 8.760 ( 0.025 -6.700 4.831) 8.261 9.792 ( 9.909 0.048 0.119) 9.910 11.490 ( -1.955 3.838 4.214) 6.026 19.539 ( -0.098 -0.041 1.751) 1.754 34.493 ( 6.707 0.620 -0.079) 6.736 37.413 ( -4.471 2.335 0.187) 5.047 52.803 ( -10.231 -21.905 1.514) 24.224======================= Grid point 621 (249/781) =======================q-point: (-0.40 -0.50 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.891 ( 1.913 -4.164 3.682) 5.878 5.025 ( 10.379 -2.090 -1.739) 10.729 5.358 ( 17.400 1.780 0.950) 17.517 7.566 ( -4.093 2.453 -11.129) 12.109 8.029 ( -5.153 -0.988 2.010) 5.619 8.743 ( 0.567 -1.486 3.990) 4.296 10.026 ( 17.961 -0.700 -1.514) 18.038 11.518 ( -3.569 5.497 12.799) 14.380 19.543 ( -0.176 -0.165 2.171) 2.184 34.660 ( 12.665 -0.144 -0.291) 12.670 37.308 ( -8.777 -0.619 -0.463) 8.811 52.374 ( -18.809 -11.444 -11.588) 24.880======================= Grid point 622 (250/781) =======================q-point: (-0.35 -0.50 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.893 ( 2.265 -4.434 0.708) 5.029 5.177 ( 13.462 -5.959 -3.965) 15.246 5.708 ( 20.415 1.764 2.185) 20.607 7.468 ( -4.633 1.987 -11.539) 12.592 7.894 ( -7.612 -6.282 2.795) 10.257 8.774 ( 0.707 2.415 2.868) 3.816 10.333 ( 20.992 -3.833 -5.784) 22.109 11.605 ( -1.857 10.383 22.667) 25.001 19.548 ( -0.115 -0.081 2.354) 2.358 34.902 ( 16.885 -1.665 -0.554) 16.976 37.111 ( -12.158 -2.372 -0.979) 12.426 51.870 ( -25.188 -2.243 -22.383) 33.771======================= Grid point 623 (251/781) =======================q-point: (-0.30 -0.50 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.886 ( 2.218 -4.433 -1.732) 5.251 5.317 ( 13.316 -8.800 -6.074) 17.078 6.069 ( 19.690 -0.110 2.687) 19.872 7.380 ( -2.616 1.904 -10.004) 10.514 7.675 ( -9.902 -10.296 2.646) 14.528 8.827 ( 0.282 4.677 1.931) 5.068 10.548 ( 14.136 -9.486 -8.707) 19.121 11.882 ( 7.478 18.038 29.320) 35.227 19.557 ( 0.140 0.278 2.307) 2.327 35.169 ( 18.022 -5.063 -0.817) 18.737 36.866 ( -13.328 -1.490 -1.284) 13.472 51.325 ( -28.843 4.902 -29.873) 41.814======================= Grid point 624 (252/781) =======================q-point: (-0.25 -0.50 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.869 ( 1.953 -4.073 -3.386) 5.645 5.384 ( 9.118 -11.881 -7.600) 16.794 6.369 ( 16.471 -3.497 1.596) 16.913 7.335 ( -6.823 -2.819 2.983) 7.962 7.420 ( -2.560 -6.162 -7.360) 9.935 8.883 ( -0.463 5.467 1.280) 5.634 10.562 ( 4.533 -12.360 -6.080) 14.501 12.408 ( 17.009 22.398 28.013) 39.695 19.577 ( 0.554 0.857 2.064) 2.303 35.360 ( 13.127 -11.796 -0.959) 17.674 36.667 ( -9.229 3.707 -1.389) 10.042 50.781 ( -29.316 9.475 -33.203) 45.295======================= Grid point 625 (253/781) =======================q-point: (-0.20 -0.50 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.849 ( 1.604 -3.293 -4.033) 5.448 5.328 ( 2.999 -14.391 -7.630) 16.562 6.531 ( 9.397 -12.245 -1.728) 15.531 7.085 ( -10.643 -5.596 6.569) 13.702 7.488 ( 8.228 3.387 -6.464) 10.998 8.925 ( -1.184 5.186 0.869) 5.390 10.447 ( -1.072 -12.628 -2.916) 13.005 13.052 ( 20.284 23.252 23.394) 38.722 19.609 ( 1.004 1.490 1.672) 2.455 35.336 ( 1.924 -18.157 -0.853) 18.279 36.656 ( 0.639 9.620 -1.366) 9.737 50.285 ( -26.332 11.263 -31.773) 42.776======================= Grid point 626 (254/781) =======================q-point: (-0.15 -0.50 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.831 ( 1.213 -2.078 -3.475) 4.227 5.165 ( -1.565 -15.028 -6.077) 16.286 6.361 ( -6.488 -22.214 -1.898) 23.220 7.039 ( 2.255 3.152 3.795) 5.424 7.655 ( 8.669 4.104 -3.147) 10.095 8.950 ( -1.487 4.204 0.595) 4.499 10.277 ( -3.682 -11.683 -1.058) 12.296 13.686 ( 18.895 21.991 17.195) 33.709 19.651 ( 1.322 1.965 1.174) 2.644 35.112 ( -5.363 -18.399 -0.568) 19.173 36.821 ( 6.315 10.496 -1.161) 12.304 49.888 ( -19.947 10.330 -25.403) 33.911======================= Grid point 627 (255/781) =======================q-point: (-0.10 -0.50 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.826 ( 0.809 -0.468 -1.388) 1.673 4.958 ( -3.853 -13.269 -3.969) 14.376 5.980 ( -11.093 -21.486 -0.801) 24.193 7.150 ( 4.454 3.555 1.100) 5.804 7.816 ( 6.199 4.158 -1.227) 7.564 8.964 ( -0.980 2.774 0.335) 2.961 10.100 ( -4.435 -9.761 -0.228) 10.724 14.223 ( 14.581 19.033 9.342) 25.732 19.697 ( 1.356 2.097 0.607) 2.570 34.835 ( -7.118 -15.266 -0.257) 16.846 37.025 ( 6.428 8.985 -0.694) 11.069 49.635 ( -10.626 6.925 -14.478) 19.248======================= Grid point 628 (256/781) =======================q-point: (-0.05 0.50 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2010Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.759 ( -5.395 -9.345 -0.000) 10.791 4.845 ( 1.043 1.807 0.000) 2.086 5.599 ( -10.394 -18.004 -0.000) 20.789 7.243 ( 1.952 3.381 -0.000) 3.904 7.926 ( 2.335 4.044 -0.000) 4.669 8.979 ( 0.592 1.025 -0.000) 1.183 9.945 ( -3.986 -6.904 -0.000) 7.972 14.602 ( 8.463 14.659 -0.000) 16.927 19.739 ( 1.037 1.797 -0.000) 2.075 34.593 ( -6.148 -10.649 -0.000) 12.296 37.191 ( 3.942 6.828 -0.000) 7.885 49.564 ( 0.798 1.381 -0.000) 1.595======================= Grid point 641 (257/781) =======================q-point: (-0.45 -0.45 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.840 ( 0.000 -2.155 -1.561) 2.661 4.854 ( -0.000 -4.897 4.646) 6.750 5.034 ( -0.000 1.959 0.927) 2.167 7.638 ( 0.000 2.243 -11.218) 11.440 8.118 ( -0.000 -0.231 0.184) 0.295 8.735 ( -0.000 -2.271 5.430) 5.886 9.709 ( -0.000 -0.066 0.392) 0.398 11.580 ( -0.000 4.587 12.285) 13.114 19.547 ( -0.000 -0.156 2.433) 2.438 34.437 ( 0.000 -0.114 -0.255) 0.279 37.459 ( 0.000 -0.628 -0.525) 0.818 52.703 ( 0.000 -11.823 -12.702) 17.353======================= Grid point 642 (258/781) =======================q-point: (-0.40 -0.45 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.821 ( 2.774 -6.445 -0.733) 7.055 4.830 ( 4.552 -7.336 -0.533) 8.650 5.159 ( 9.617 4.121 1.772) 10.612 7.591 ( -2.127 1.035 -13.100) 13.312 8.068 ( -2.631 -5.506 0.895) 6.168 8.759 ( 0.186 2.795 4.656) 5.434 9.788 ( 9.185 -0.458 -0.188) 9.198 11.677 ( -1.413 5.660 20.254) 21.077 19.554 ( -0.163 -0.208 3.019) 3.030 34.489 ( 6.680 -0.865 -0.450) 6.751 37.397 ( -4.453 -3.506 -1.150) 5.783 52.481 ( -9.757 -1.635 -25.966) 27.787======================= Grid point 643 (259/781) =======================q-point: (-0.35 -0.45 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.796 ( 2.614 -6.508 -2.057) 7.309 4.874 ( 11.107 -10.074 -3.870) 15.487 5.423 ( 16.220 2.462 2.242) 16.559 7.489 ( -3.206 -1.335 -14.844) 15.245 7.933 ( -5.145 -9.980 2.505) 11.505 8.824 ( -0.086 6.892 3.256) 7.623 9.985 ( 15.147 -1.760 -2.431) 15.442 11.814 ( -0.678 8.474 28.300) 29.549 19.562 ( -0.255 -0.054 3.442) 3.452 34.634 ( 12.206 -2.093 -0.703) 12.404 37.240 ( -8.114 -5.469 -1.578) 9.912 52.151 ( -18.360 7.529 -37.195) 42.157======================= Grid point 644 (260/781) =======================q-point: (-0.30 -0.45 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.768 ( 3.531 -6.922 -5.112) 9.301 4.963 ( 13.733 -11.830 -5.643) 18.984 5.746 ( 18.987 -0.189 2.484) 19.150 7.361 ( -1.673 -3.606 -15.265) 15.774 7.724 ( -7.733 -12.959 3.694) 15.536 8.905 ( -0.853 8.935 1.944) 9.183 10.202 ( 14.788 -4.998 -5.060) 16.409 12.064 ( 4.202 13.662 34.512) 37.355 19.572 ( -0.182 0.362 3.650) 3.673 34.836 ( 15.275 -4.469 -0.988) 15.946 37.022 ( -9.931 -5.526 -1.759) 11.500 51.733 ( -25.077 14.681 -45.338) 53.851======================= Grid point 645 (261/781) =======================q-point: (-0.25 -0.45 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.742 ( 4.272 -6.941 -7.708) 11.218 5.042 ( 12.760 -14.107 -7.146) 20.320 6.049 ( 17.519 -3.976 1.650) 18.041 7.271 ( 3.308 -5.516 -14.008) 15.414 7.461 ( -9.702 -12.626 4.655) 16.589 8.978 ( -1.813 9.312 1.000) 9.539 10.317 ( 8.969 -8.900 -5.117) 13.632 12.493 ( 11.694 18.918 35.412) 41.817 19.592 ( 0.066 0.984 3.617) 3.750 35.023 ( 14.027 -8.857 -1.196) 16.633 36.815 ( -8.151 -2.584 -1.738) 8.725 51.258 ( -29.139 19.109 -49.439) 60.485======================= Grid point 646 (262/781) =======================q-point: (-0.20 -0.45 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.721 ( 4.910 -6.429 -9.493) 12.473 5.046 ( 8.662 -16.666 -7.572) 20.251 6.237 ( 11.723 -10.213 -0.984) 15.578 7.150 ( -4.549 -14.030 -1.676) 14.844 7.341 ( 5.859 -0.258 -3.900) 7.043 9.030 ( -2.819 8.687 0.476) 9.145 10.300 ( 2.978 -11.134 -3.140) 11.946 13.064 ( 16.660 21.414 31.264) 41.395 19.622 ( 0.406 1.650 3.346) 3.752 35.091 ( 7.260 -14.493 -1.154) 16.250 36.721 ( -1.532 2.697 -1.669) 3.523 50.762 ( -29.873 20.499 -48.763) 60.749======================= Grid point 647 (263/781) =======================q-point: (-0.15 -0.45 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.713 ( 5.482 -5.326 -10.335) 12.854 4.956 ( 4.267 -18.113 -6.156) 19.600 6.196 ( 0.550 -18.689 -2.791) 18.904 7.006 ( 1.622 -6.512 -0.809) 6.759 7.491 ( 11.500 0.588 -2.630) 11.811 9.055 ( -3.695 7.498 0.349) 8.366 10.196 ( -0.754 -11.454 -1.362) 11.559 13.670 ( 17.257 20.980 24.274) 36.430 19.662 ( 0.696 2.148 2.869) 3.651 34.983 ( -0.395 -17.139 -0.836) 17.164 36.798 ( 5.444 6.065 -1.606) 8.307 50.297 ( -26.920 18.964 -43.000) 54.160======================= Grid point 648 (264/781) =======================q-point: (-0.10 -0.45 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.724 ( 5.874 -3.861 -11.197) 13.221 4.814 ( 1.995 -17.014 -2.062) 17.254 5.919 ( -7.243 -21.082 -2.322) 22.412 7.048 ( 7.904 -2.518 -3.534) 9.017 7.686 ( 11.088 0.623 -0.647) 11.124 9.055 ( -4.175 5.997 0.541) 7.327 10.057 ( -2.343 -10.225 -0.445) 10.499 14.209 ( 14.297 18.300 15.405) 27.868 19.706 ( 0.781 2.296 2.243) 3.304 34.776 ( -3.950 -15.537 -0.451) 16.038 36.973 ( 8.004 6.148 -1.379) 10.187 49.915 ( -20.425 14.925 -32.473) 41.164======================= Grid point 662 (265/781) =======================q-point: (-0.40 -0.40 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.665 ( 0.000 -11.650 -2.937) 12.015 4.749 ( 0.000 -7.346 -1.500) 7.498 5.128 ( -0.000 4.244 1.576) 4.527 7.551 ( 0.000 -2.075 -15.758) 15.894 8.019 ( -0.000 -9.805 1.436) 9.909 8.828 ( -0.000 8.168 3.856) 9.032 9.707 ( -0.000 -0.490 0.461) 0.673 11.834 ( -0.000 5.846 27.476) 28.091 19.567 ( -0.000 -0.186 3.862) 3.867 34.419 ( 0.000 -1.444 -0.606) 1.566 37.380 ( 0.000 -6.465 -1.674) 6.678 52.472 ( 0.000 8.579 -39.676) 40.593======================= Grid point 663 (266/781) =======================q-point: (-0.35 -0.40 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.587 ( 6.723 -13.513 -3.654) 15.529 4.672 ( 1.766 -8.763 -5.153) 10.318 5.243 ( 8.650 2.622 1.641) 9.186 7.429 ( -1.535 -6.714 -17.970) 19.245 7.895 ( -2.468 -12.943 2.693) 13.449 8.936 ( -0.756 12.290 2.043) 12.482 9.772 ( 7.987 -0.889 -0.389) 8.046 12.012 ( 0.179 7.222 34.452) 35.202 19.581 ( -0.183 0.020 4.589) 4.592 34.453 ( 6.303 -2.295 -0.813) 6.757 37.265 ( -3.878 -8.719 -1.933) 9.736 52.345 ( -9.818 18.021 -51.643) 55.571======================= Grid point 664 (267/781) =======================q-point: (-0.30 -0.40 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.589 ( 9.216 -12.603 -7.329) 17.248 4.604 ( 6.215 -12.086 -6.713) 15.158 5.466 ( 14.721 0.169 1.938) 14.849 7.247 ( -0.925 -11.196 -18.312) 21.483 7.709 ( -4.868 -14.665 3.159) 15.772 9.044 ( -2.040 13.451 0.332) 13.609 9.927 ( 11.744 -2.192 -2.434) 12.192 12.262 ( 3.052 10.523 39.883) 41.361 19.597 ( -0.270 0.461 5.085) 5.113 34.569 ( 10.979 -3.873 -1.076) 11.692 37.079 ( -6.303 -9.488 -1.898) 11.548 52.100 ( -18.903 25.505 -60.773) 68.565======================= Grid point 665 (268/781) =======================q-point: (-0.25 -0.40 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.535 ( 5.484 -10.302 -12.811) 17.330 4.640 ( 13.747 -16.487 -6.330) 22.380 5.730 ( 16.534 -3.203 1.776) 16.935 7.065 ( 2.603 -14.561 -16.345) 22.044 7.480 ( -6.316 -14.213 2.653) 15.778 9.128 ( -3.007 12.800 -0.847) 13.175 10.069 ( 9.901 -5.149 -3.617) 11.731 12.636 ( 8.390 14.952 41.336) 44.750 19.620 ( -0.211 1.082 5.267) 5.381 34.717 ( 12.486 -6.757 -1.311) 14.257 36.876 ( -6.031 -7.954 -1.651) 10.118 51.747 ( -26.263 30.057 -65.976) 77.110======================= Grid point 666 (269/781) =======================q-point: (-0.20 -0.40 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.488 ( 7.293 -10.314 -15.542) 20.028 4.668 ( 12.246 -18.417 -7.362) 23.310 5.937 ( 12.994 -8.172 0.233) 15.352 6.932 ( 5.925 -17.934 -11.274) 21.996 7.284 ( -2.186 -8.884 0.743) 9.179 9.185 ( -3.827 11.526 -1.540) 12.241 10.120 ( 5.392 -8.290 -2.882) 10.300 13.137 ( 13.334 18.152 37.764) 43.970 19.651 ( -0.040 1.738 5.101) 5.389 34.818 ( 9.459 -11.015 -1.347) 14.581 36.739 ( -1.878 -3.937 -1.412) 4.585 51.309 ( -30.810 31.158 -66.294) 79.467======================= Grid point 667 (270/781) =======================q-point: (-0.15 -0.40 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.465 ( 8.990 -9.493 -17.458) 21.811 4.631 ( 8.979 -20.188 -6.642) 23.071 5.978 ( 4.760 -14.671 -1.734) 15.521 6.818 ( 6.004 -16.787 -6.432) 18.953 7.290 ( 9.278 -3.357 -0.956) 9.913 9.211 ( -4.681 10.013 -1.752) 11.191 10.078 ( 1.507 -9.999 -1.478) 10.219 13.695 ( 15.211 18.685 30.465) 38.841 19.690 ( 0.139 2.233 4.610) 5.125 34.797 ( 3.486 -14.499 -1.055) 14.950 36.740 ( 4.539 0.386 -1.380) 4.760 50.827 ( -31.657 28.914 -61.161) 74.692======================= Grid point 668 (271/781) =======================q-point: (-0.10 -0.40 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.473 ( 10.037 -8.195 -19.059) 23.047 4.545 ( 7.269 -19.947 -3.179) 21.466 5.807 ( -3.652 -18.672 -1.871) 19.117 6.802 ( 11.149 -11.094 -6.897) 17.174 7.465 ( 13.559 -2.463 0.051) 13.780 9.209 ( -5.467 8.389 -1.472) 10.121 9.981 ( -0.584 -9.892 -0.540) 9.924 14.213 ( 13.568 16.657 20.859) 29.943 19.733 ( 0.197 2.394 3.873) 4.557 34.667 ( -0.845 -14.590 -0.605) 14.627 36.867 ( 8.746 2.254 -1.435) 9.145 50.360 ( -28.482 23.961 -50.744) 62.932======================= Grid point 683 (272/781) =======================q-point: (-0.35 -0.35 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.370 ( 0.000 -16.080 -3.269) 16.409 4.534 ( 0.000 -10.691 -9.482) 14.290 5.198 ( -0.000 1.761 1.187) 2.124 7.272 ( 0.000 -13.155 -19.651) 23.648 7.790 ( -0.000 -14.837 2.661) 15.074 9.091 ( -0.000 16.525 -0.690) 16.540 9.695 ( -0.000 -1.050 0.311) 1.095 12.220 ( -0.000 7.176 40.440) 41.071 19.603 ( -0.000 0.241 5.635) 5.641 34.373 ( 0.000 -2.674 -0.953) 2.839 37.190 ( 0.000 -11.372 -1.936) 11.536 52.432 ( 0.000 28.069 -64.708) 70.534======================= Grid point 684 (273/781) =======================q-point: (-0.30 -0.35 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.254 ( 7.143 -17.732 -3.921) 19.515 4.396 ( 2.296 -12.413 -13.976) 18.833 5.281 ( 7.911 0.113 1.211) 8.004 7.037 ( -0.131 -18.677 -19.355) 26.897 7.628 ( -2.269 -16.149 1.917) 16.419 9.228 ( -2.519 16.916 -3.041) 17.370 9.747 ( 6.940 -1.161 -0.830) 7.086 12.473 ( 1.981 8.849 44.969) 45.874 19.628 ( -0.180 0.653 6.419) 6.454 34.388 ( 5.617 -3.552 -1.154) 6.745 37.039 ( -2.816 -12.783 -1.576) 13.184 52.392 ( -10.443 36.329 -75.286) 84.243======================= Grid point 685 (274/781) =======================q-point: (-0.25 -0.35 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.224 ( 12.093 -19.067 -5.123) 23.152 4.268 ( 5.059 -13.532 -18.420) 23.410 5.457 ( 12.979 -2.344 1.403) 13.263 6.780 ( 2.200 -22.314 -17.360) 28.357 7.420 ( -3.748 -16.610 0.798) 17.046 9.312 ( -3.834 14.581 -3.991) 15.596 9.865 ( 8.585 -2.147 -2.650) 9.238 12.813 ( 5.907 11.931 46.111) 47.995 19.659 ( -0.281 1.215 6.811) 6.924 34.469 ( 9.161 -5.311 -1.365) 10.677 36.853 ( -3.602 -12.305 -0.974) 12.859 52.211 ( -20.491 41.488 -82.141) 94.277======================= Grid point 686 (275/781) =======================q-point: (-0.20 -0.35 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.164 ( 8.127 -14.635 -21.180) 26.996 4.234 ( 13.470 -19.805 -7.325) 25.046 5.649 ( 12.948 -6.080 0.962) 14.337 6.568 ( 6.914 -23.999 -13.672) 28.472 7.208 ( -2.286 -14.761 -0.364) 14.941 9.359 ( -4.134 12.385 -4.509) 13.814 9.947 ( 6.010 -4.907 -2.851) 8.266 13.252 ( 10.307 14.828 42.643) 46.309 19.694 ( -0.294 1.808 6.752) 6.996 34.559 ( 9.183 -8.231 -1.440) 12.416 36.696 ( -1.290 -9.524 -0.410) 9.620 51.887 ( -28.722 42.650 -83.976) 98.468======================= Grid point 687 (276/781) =======================q-point: (-0.15 -0.35 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.099 ( 11.105 -14.148 -24.011) 30.000 4.222 ( 12.055 -21.410 -7.317) 25.636 5.744 ( 7.403 -11.172 -0.444) 13.410 6.443 ( 10.728 -23.750 -9.330) 27.680 7.102 ( 5.432 -9.821 -0.997) 11.267 9.381 ( -4.556 10.620 -4.778) 12.505 9.949 ( 2.651 -7.518 -1.775) 8.166 13.751 ( 12.893 15.848 35.166) 40.669 19.734 ( -0.277 2.266 6.257) 6.661 34.586 ( 5.680 -11.475 -1.198) 12.860 36.642 ( 3.856 -5.302 -0.238) 6.561 51.447 ( -33.619 39.746 -79.760) 95.246======================= Grid point 688 (277/781) =======================q-point: (-0.10 -0.35 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.083 ( 13.805 -12.829 -25.701) 31.870 4.173 ( 10.431 -21.973 -5.180) 24.869 5.669 ( -0.286 -15.397 -0.754) 15.418 6.407 ( 14.537 -19.602 -8.027) 25.690 7.192 ( 13.583 -6.322 -0.273) 14.985 9.376 ( -5.228 9.095 -4.612) 11.459 9.888 ( 0.414 -8.653 -0.698) 8.691 14.233 ( 12.442 14.442 25.052) 31.480 19.775 ( -0.325 2.433 5.408) 5.938 34.523 ( 1.687 -12.754 -0.703) 12.885 36.716 ( 8.743 -2.106 -0.512) 9.007 50.943 ( -34.184 33.620 -69.286) 84.258======================= Grid point 704 (278/781) =======================q-point: (-0.30 -0.30 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.993 ( 0.000 -19.963 -3.541) 20.275 4.181 ( 0.000 -14.605 -19.139) 24.075 5.215 ( -0.000 -0.633 0.772) 0.998 6.751 ( 0.000 -24.701 -18.940) 31.126 7.487 ( 0.000 -17.674 0.575) 17.684 9.411 ( 0.000 18.319 -6.954) 19.595 9.669 ( 0.000 -1.758 -0.093) 1.761 12.718 ( -0.000 8.863 48.530) 49.332 19.664 ( -0.000 0.985 7.455) 7.520 34.302 ( 0.000 -3.696 -1.277) 3.910 36.921 ( 0.000 -14.909 -0.780) 14.929 52.572 ( 0.000 45.760 -87.857) 99.060======================= Grid point 705 (279/781) =======================q-point: (-0.25 -0.30 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.841 ( 7.379 -21.475 -4.088) 23.072 3.972 ( 3.035 -16.269 -24.117) 29.250 5.268 ( 7.127 -2.067 0.769) 7.461 6.431 ( 1.634 -28.765 -17.360) 33.637 7.293 ( -1.693 -18.877 -0.589) 18.962 9.499 ( -4.264 13.563 -6.986) 15.841 9.721 ( 6.323 0.389 -2.723) 6.895 13.023 ( 3.278 10.345 48.971) 50.160 19.704 ( -0.192 1.440 8.045) 8.175 34.299 ( 4.701 -4.513 -1.432) 6.672 36.757 ( -1.391 -15.380 0.345) 15.447 52.601 ( -11.679 52.170 -97.159) 110.896======================= Grid point 706 (280/781) =======================q-point: (-0.20 -0.30 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.772 ( 10.160 -21.702 -11.454) 26.559 3.798 ( 8.859 -18.042 -22.163) 29.920 5.399 ( 10.795 -4.470 0.851) 11.715 6.139 ( 5.939 -30.556 -14.564) 34.366 7.073 ( -1.534 -18.777 -1.452) 18.896 9.516 ( -3.616 9.509 -6.214) 11.921 9.812 ( 4.998 -0.142 -4.376) 6.644 13.403 ( 7.223 12.247 45.232) 47.414 19.747 ( -0.360 1.930 8.114) 8.348 34.345 ( 7.035 -6.241 -1.502) 9.523 36.598 ( -0.411 -13.762 1.442) 13.843 52.447 ( -23.116 54.081 -101.472) 117.285======================= Grid point 707 (281/781) =======================q-point: (-0.15 -0.30 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.650 ( 10.953 -18.005 -29.983) 36.649 3.762 ( 13.510 -22.785 -7.477) 27.524 5.511 ( 8.706 -8.513 -0.007) 12.176 5.948 ( 12.118 -29.694 -10.351) 33.700 6.900 ( 3.111 -15.970 -1.807) 16.370 9.519 ( -3.170 7.760 -6.350) 10.516 9.842 ( 2.197 -3.044 -3.496) 5.130 13.835 ( 10.238 13.120 37.579) 41.099 19.790 ( -0.518 2.319 7.666) 8.026 34.382 ( 6.099 -8.702 -1.296) 10.705 36.508 ( 3.337 -10.204 1.995) 10.920 52.107 ( -32.175 50.882 -98.963) 115.836======================= Grid point 708 (282/781) =======================q-point: (-0.10 -0.30 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.580 ( 15.092 -17.016 -31.999) 39.259 3.733 ( 12.920 -23.363 -6.064) 27.377 5.510 ( 3.208 -12.245 -0.542) 12.670 5.883 ( 16.750 -26.849 -7.511) 32.524 6.887 ( 11.900 -11.339 -1.200) 16.481 9.510 ( -3.388 6.767 -6.377) 9.896 9.806 ( -0.033 -5.334 -2.027) 5.707 14.265 ( 10.870 12.047 27.172) 31.648 19.831 ( -0.721 2.474 6.764) 7.239 34.363 ( 3.290 -10.461 -0.768) 10.993 36.533 ( 8.124 -6.336 1.670) 10.437 51.621 ( -36.863 43.429 -88.574) 105.311======================= Grid point 725 (283/781) =======================q-point: (-0.25 -0.25 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.543 ( 0.000 -23.421 -3.697) 23.711 3.674 ( 0.000 -18.282 -29.625) 34.812 5.188 ( -0.000 -2.504 0.359) 2.530 6.046 ( 0.000 -33.587 -16.400) 37.377 7.109 ( 0.000 -20.702 -1.562) 20.761 9.625 ( 0.000 -2.524 -0.681) 2.615 9.668 ( 0.000 14.960 -11.475) 18.854 13.280 ( -0.000 10.134 48.744) 49.786 19.754 ( -0.000 1.770 8.811) 8.987 34.212 ( 0.000 -4.401 -1.534) 4.661 36.613 ( -0.000 -16.874 2.166) 17.013 52.858 ( 0.000 60.388 -109.822) 125.330======================= Grid point 726 (284/781) =======================q-point: (-0.20 -0.25 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.359 ( 7.354 -24.604 -4.926) 26.148 3.400 ( 4.169 -19.562 -33.607) 39.108 5.216 ( 6.197 -3.702 0.329) 7.226 5.673 ( 3.848 -36.314 -14.416) 39.260 6.887 ( -0.670 -21.598 -2.152) 21.715 9.588 ( -0.936 -0.184 -2.606) 2.775 9.769 ( 1.491 9.085 -10.335) 13.841 13.592 ( 3.791 10.660 44.649) 46.061 19.805 ( -0.257 2.145 9.029) 9.284 34.194 ( 3.670 -5.065 -1.589) 6.453 36.461 ( 0.229 -16.441 4.083) 16.942 52.920 ( -13.538 64.068 -118.072) 135.015======================= Grid point 727 (285/781) =======================q-point: (-0.15 -0.25 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.169 ( 8.562 -20.320 -36.565) 42.700 3.280 ( 12.657 -24.877 -6.112) 28.573 5.284 ( 7.617 -11.743 -2.585) 14.233 5.403 ( 11.250 -30.557 -8.372) 33.621 6.674 ( 1.662 -20.573 -2.354) 20.773 9.567 ( -0.204 -0.008 -3.451) 3.457 9.810 ( -0.257 4.814 -8.608) 9.866 13.947 ( 7.160 10.879 36.878) 39.110 19.854 ( -0.567 2.452 8.687) 9.045 34.209 ( 4.953 -6.528 -1.408) 8.314 36.352 ( 2.778 -13.887 5.381) 15.149 52.741 ( -26.565 61.520 -118.919) 136.499======================= Grid point 728 (286/781) =======================q-point: (-0.10 -0.25 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.019 ( 13.919 -19.705 -38.454) 45.396 3.244 ( 14.297 -25.122 -5.386) 29.403 5.209 ( 15.893 -28.648 -8.407) 33.823 5.388 ( 7.224 -14.147 0.620) 15.897 6.567 ( 9.132 -16.629 -1.935) 19.070 9.550 ( 0.027 -0.428 -3.518) 3.544 9.792 ( -2.218 1.967 -6.727) 7.351 14.308 ( 8.786 9.798 26.415) 29.512 19.898 ( -0.939 2.574 7.815) 8.281 34.209 ( 3.809 -8.131 -0.860) 9.020 36.338 ( 7.006 -9.977 5.317) 13.300 52.331 ( -35.797 52.917 -109.507) 126.781======================= Grid point 746 (287/781) =======================q-point: (-0.20 -0.20 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.027 ( 0.000 -20.902 -39.706) 44.871 3.030 ( 0.000 -26.339 -3.642) 26.590 5.128 ( 0.000 -3.717 -0.026) 3.717 5.209 ( 0.000 -40.549 -13.311) 42.678 6.664 ( 0.000 -23.264 -2.479) 23.396 9.562 ( 0.000 -3.168 -1.300) 3.425 9.817 ( 0.000 9.857 -12.326) 15.782 13.822 ( -0.000 9.844 40.354) 41.537 19.864 ( -0.000 2.424 9.395) 9.703 34.110 ( 0.000 -4.696 -1.666) 4.983 36.313 ( -0.000 -17.323 7.133) 18.734 53.220 ( 0.000 70.435 -131.893) 149.522======================= Grid point 747 (288/781) =======================q-point: (-0.15 -0.20 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.699 ( 4.726 -21.507 -43.276) 48.556 2.826 ( 8.197 -27.086 -4.094) 28.594 4.806 ( 6.315 -42.096 -11.236) 44.025 5.139 ( 5.621 -4.682 0.074) 7.316 6.429 ( 0.775 -23.438 -2.501) 23.584 9.530 ( 0.642 -3.233 -1.701) 3.710 9.848 ( -0.889 6.919 -10.869) 12.915 14.086 ( 3.670 9.206 32.569) 34.043 19.922 ( -0.401 2.659 9.175) 9.561 34.082 ( 2.666 -5.119 -1.556) 5.978 36.194 ( 1.846 -16.083 9.722) 18.884 53.259 ( -15.938 70.240 -138.871) 156.438======================= Grid point 748 (289/781) =======================q-point: (-0.10 -0.20 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.451 ( 10.693 -21.269 -44.578) 50.536 2.735 ( 13.501 -26.964 -4.164) 30.441 4.548 ( 15.887 -40.105 -8.610) 43.988 5.196 ( 6.215 -6.724 0.659) 9.180 6.248 ( 5.798 -21.056 -2.199) 21.950 9.505 ( 1.031 -3.570 -1.541) 4.022 9.839 ( -2.292 4.558 -8.782) 10.156 14.360 ( 6.177 7.896 22.258) 24.411 19.970 ( -0.923 2.729 8.363) 8.846 34.075 ( 3.267 -6.107 -1.039) 7.003 36.151 ( 5.427 -12.740 10.514) 17.387 52.990 ( -30.094 61.565 -132.952) 149.573======================= Grid point 767 (290/781) =======================q-point: (-0.15 -0.15 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.272 ( 0.000 -21.937 -48.021) 52.794 2.468 ( 0.000 -28.640 -3.311) 28.831 4.275 ( 0.000 -46.244 -9.996) 47.312 5.048 ( 0.000 -4.202 -0.324) 4.214 6.178 ( 0.000 -24.515 -2.338) 24.626 9.484 ( 0.000 -3.470 -1.748) 3.886 9.877 ( 0.000 5.357 -9.558) 10.957 14.248 ( -0.000 7.897 24.836) 26.062 19.987 ( -0.000 2.838 9.027) 9.462 34.007 ( 0.000 -4.516 -1.615) 4.796 36.062 ( -0.000 -16.432 14.223) 21.733 53.546 ( 0.000 74.026 -155.091) 171.852======================= Grid point 768 (291/781) =======================q-point: (-0.10 -0.15 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.919 ( 5.887 -21.761 -49.788) 54.654 2.253 ( 9.085 -28.877 -3.181) 30.439 3.866 ( 10.394 -46.709 -7.922) 48.503 5.048 ( 4.546 -4.654 -0.055) 6.506 5.951 ( 2.640 -23.559 -2.023) 23.792 9.449 ( 0.610 -3.610 -1.562) 3.981 9.879 ( -1.204 3.707 -7.072) 8.075 14.422 ( 3.131 6.368 14.714) 16.335 20.043 ( -0.613 2.852 8.203) 8.707 33.975 ( 1.839 -4.637 -1.285) 5.151 35.996 ( 3.226 -14.348 16.949) 22.439 53.488 ( -18.429 68.010 -157.898) 172.907======================= Grid point 788 (292/781) =======================q-point: (-0.10 -0.10 0.05)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.462 ( 0.000 -21.412 -52.623) 56.813 1.870 ( 0.000 -30.338 -2.664) 30.455 3.265 ( 0.000 -50.939 -6.547) 51.358 4.965 ( 0.000 -3.943 -0.468) 3.971 5.691 ( 0.000 -23.602 -1.627) 23.658 9.404 ( 0.000 -3.242 -1.846) 3.731 9.898 ( 0.000 2.485 -3.675) 4.436 14.488 ( -0.000 4.846 4.744) 6.781 20.106 ( -0.000 2.812 7.222) 7.750 33.914 ( 0.000 -3.848 -1.353) 4.078 35.904 ( -0.000 -14.038 22.821) 26.793 53.680 ( 0.000 67.397 -175.175) 187.692======================= Grid point 853 (293/781) =======================q-point: ( 0.10 0.10 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 781Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.381 ( -0.000 0.000 16.141) 16.141 0.381 ( -0.000 0.000 16.141) 16.141 2.200 ( -0.000 0.000 95.071) 95.071 4.830 ( 0.000 -0.000 -0.006) 0.006 4.830 ( 0.000 0.000 -0.006) 0.006 9.285 ( -0.000 0.000 0.128) 0.128 9.285 ( -0.000 0.000 0.128) 0.128 16.672 ( 0.000 -0.000 -18.114) 18.114 20.322 ( -0.000 0.000 6.017) 6.017 33.792 ( -0.000 0.000 0.699) 0.699 33.792 ( -0.000 0.000 0.699) 0.699 73.455 ( 0.000 -0.000 -0.796) 0.796======================= Grid point 854 (294/781) =======================q-point: ( 0.15 0.10 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.759 ( 22.908 13.226 9.125) 27.982 1.136 ( 40.901 23.614 8.374) 47.966 2.576 ( 2.472 1.427 90.525) 90.570 4.839 ( 1.090 0.629 -0.211) 1.276 4.956 ( 10.503 6.064 1.149) 12.182 9.277 ( 0.244 0.141 -0.458) 0.538 9.477 ( 13.625 7.866 -5.225) 16.577 16.070 ( -38.425 -22.185 6.949) 44.910 20.213 ( -8.325 -4.806 4.328) 10.542 33.798 ( 0.803 0.463 0.500) 1.053 34.252 ( 33.146 19.137 -19.159) 42.801 67.829 (-360.804 -208.310 295.156) 510.578======================= Grid point 855 (295/781) =======================q-point: ( 0.20 0.10 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.344 ( 25.717 14.848 6.203) 30.337 2.046 ( 34.358 19.836 16.698) 43.044 3.045 ( 12.756 7.365 73.131) 74.600 4.875 ( 2.158 1.246 -0.495) 2.541 5.284 ( 17.220 9.942 3.414) 20.174 9.293 ( 1.442 0.832 -0.756) 1.828 9.757 ( 11.819 6.824 -3.906) 14.195 15.305 ( -30.550 -17.638 8.969) 36.398 20.053 ( -5.953 -3.437 -1.916) 7.136 33.832 ( 1.992 1.150 0.418) 2.337 34.897 ( 30.384 17.542 -24.106) 42.568 62.334 (-237.252 -136.977 318.094) 419.803======================= Grid point 856 (296/781) =======================q-point: ( 0.25 0.10 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.944 ( 25.610 14.786 5.253) 30.035 2.778 ( 22.353 12.906 36.571) 44.763 3.728 ( 27.539 15.900 43.384) 53.790 4.930 ( 2.855 1.648 -0.838) 3.401 5.725 ( 20.040 11.570 4.854) 23.644 9.336 ( 2.615 1.510 -0.725) 3.105 9.957 ( 5.877 3.393 3.250) 7.525 14.772 ( -17.615 -10.170 -7.319) 21.617 19.932 ( -3.604 -2.081 -5.847) 7.177 33.890 ( 3.044 1.758 0.461) 3.545 35.434 ( 24.912 14.383 -17.716) 33.783 59.075 (-158.855 -91.715 250.205) 310.240======================= Grid point 857 (297/781) =======================q-point: ( 0.30 0.10 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.526 ( 24.378 14.075 4.800) 28.556 3.372 ( 17.406 10.050 44.986) 49.272 4.550 ( 32.928 19.011 24.920) 45.461 4.994 ( 3.109 1.795 -1.178) 3.778 6.200 ( 20.287 11.713 4.737) 23.900 9.404 ( 3.570 2.061 -0.452) 4.147 10.037 ( -1.098 -0.634 9.718) 9.801 14.442 ( -6.786 -3.918 -24.146) 25.386 19.845 ( -1.957 -1.130 -7.078) 7.430 33.970 ( 3.828 2.210 0.589) 4.460 35.895 ( 21.113 12.190 -10.481) 26.537 56.825 (-120.006 -69.286 191.699) 236.538======================= Grid point 858 (298/781) =======================q-point: ( 0.35 0.10 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.070 ( 22.314 12.883 4.429) 26.144 3.912 ( 15.754 9.095 42.956) 46.649 5.057 ( 2.891 1.669 -1.442) 3.637 5.360 ( 31.544 18.212 17.075) 40.227 6.660 ( 19.060 11.004 3.419) 22.273 9.490 ( 4.119 2.378 -0.110) 4.757 9.980 ( -7.606 -4.391 11.928) 14.812 14.272 ( 1.473 0.851 -35.342) 35.383 19.788 ( -0.829 -0.479 -6.616) 6.685 34.064 ( 4.221 2.437 0.735) 4.929 36.306 ( 18.103 10.452 -4.843) 21.458 55.044 ( -97.393 -56.230 147.820) 185.736======================= Grid point 859 (299/781) =======================q-point: ( 0.40 0.10 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.557 ( 19.535 11.278 4.040) 22.916 4.396 ( 13.511 7.800 37.046) 40.197 5.109 ( 2.209 1.276 -1.590) 3.006 6.079 ( 27.071 15.629 12.593) 33.700 7.076 ( 17.054 9.846 1.881) 19.781 9.584 ( 4.137 2.389 0.115) 4.779 9.795 ( -12.089 -6.980 9.466) 16.866 14.226 ( 6.882 3.974 -39.861) 40.646 19.756 ( -0.098 -0.057 -5.277) 5.278 34.161 ( 4.141 2.391 0.830) 4.853 36.668 ( 15.028 8.677 -1.058) 17.385 53.545 ( -80.721 -46.604 113.919) 147.192======================= Grid point 860 (300/781) =======================q-point: ( 0.45 0.10 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.973 ( 16.106 9.299 3.659) 18.954 4.788 ( 9.739 5.623 29.705) 31.762 5.141 ( 1.144 0.661 -1.627) 2.096 6.654 ( 20.360 11.755 7.418) 24.652 7.440 ( 14.774 8.529 1.611) 17.135 9.529 ( -13.494 -7.791 4.736) 16.285 9.672 ( 3.598 2.077 0.104) 4.156 14.264 ( 9.599 5.542 -39.526) 41.050 19.742 ( 0.369 0.213 -3.626) 3.651 34.252 ( 3.570 2.061 0.833) 4.205 36.967 ( 11.487 6.632 1.085) 13.308 52.280 ( -65.904 -38.049 86.381) 115.121======================= Grid point 861 (301/781) =======================q-point: ( 0.50 0.10 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.303 ( 11.911 6.877 3.332) 14.151 5.046 ( 4.309 2.488 21.789) 22.350 5.148 ( 0.005 0.003 -1.583) 1.583 7.033 ( 11.958 6.904 -0.269) 13.811 7.750 ( 11.811 6.819 3.177) 14.003 9.254 ( -11.296 -6.521 1.061) 13.086 9.742 ( 2.583 1.492 -0.146) 2.987 14.345 ( 10.369 5.987 -36.770) 38.671 19.744 ( 0.695 0.401 -2.046) 2.198 34.325 ( 2.566 1.481 0.744) 3.054 37.187 ( 7.447 4.300 1.915) 8.810 51.246 ( -51.440 -29.699 63.181) 86.718======================= Grid point 862 (302/781) =======================q-point: ( 0.55 0.10 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.523 ( 6.263 3.616 2.964) 7.815 5.135 ( -2.632 -1.519 13.528) 13.865 5.136 ( -0.292 -0.169 -1.379) 1.420 7.191 ( 3.761 2.171 -7.703) 8.843 7.972 ( 6.220 3.591 3.758) 8.105 9.062 ( -5.491 -3.170 0.503) 6.360 9.785 ( 1.270 0.733 -0.521) 1.556 14.442 ( 10.033 5.792 -33.270) 35.229 19.757 ( 0.950 0.549 -0.781) 1.347 34.371 ( 1.256 0.725 0.604) 1.571 37.313 ( 3.128 1.806 1.816) 4.043 50.456 ( -36.890 -21.298 43.465) 60.858======================= Grid point 863 (303/781) =======================q-point: (-0.40 0.10 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.589 ( -1.466 -0.846 2.152) 2.738 5.025 ( -10.322 -5.960 5.182) 12.997 5.139 ( 1.144 0.660 -0.658) 1.475 7.160 ( -2.974 -1.717 -11.113) 11.631 8.042 ( -0.955 -0.551 2.573) 2.799 9.018 ( 0.965 0.557 1.200) 1.638 9.795 ( -0.119 -0.068 -0.833) 0.845 14.538 ( 9.134 5.274 -29.897) 31.702 19.780 ( 1.189 0.686 0.049) 1.373 34.385 ( -0.187 -0.108 0.482) 0.529 37.341 ( -1.115 -0.644 1.188) 1.752 49.925 ( -22.278 -12.862 27.165) 37.413======================= Grid point 864 (304/781) =======================q-point: (-0.35 0.10 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.479 ( -8.445 -4.876 1.161) 9.821 4.717 ( -17.327 -10.004 -2.070) 20.115 5.175 ( 1.778 1.027 0.275) 2.072 6.987 ( -8.682 -5.013 -9.842) 14.049 7.963 ( -6.608 -3.815 1.847) 7.850 9.085 ( 4.248 2.453 -0.071) 4.906 9.774 ( -1.368 -0.790 -0.902) 1.819 14.621 ( 7.859 4.537 -27.121) 28.599 19.810 ( 1.473 0.851 0.439) 1.757 34.366 ( -1.580 -0.912 0.443) 1.877 37.275 ( -4.891 -2.824 0.407) 5.662 49.665 ( -7.946 -4.587 14.709) 17.335======================= Grid point 865 (305/781) =======================q-point: (-0.30 0.10 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.234 ( -13.418 -7.747 0.594) 15.505 4.248 ( -22.641 -13.072 -6.518) 26.944 5.207 ( 0.676 0.390 0.804) 1.120 6.696 ( -14.571 -8.412 -6.075) 17.888 7.766 ( -11.442 -6.606 1.460) 13.292 9.194 ( 5.703 3.292 -2.137) 6.923 9.729 ( -2.329 -1.345 -0.631) 2.762 14.681 ( 6.191 3.575 -25.268) 26.260 19.849 ( 1.862 1.075 0.440) 2.194 34.319 ( -2.759 -1.593 0.524) 3.229 37.131 ( -7.847 -4.531 -0.255) 9.065 49.679 ( 5.463 3.154 6.856) 9.316======================= Grid point 866 (306/781) =======================q-point: (-0.25 0.10 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.669 ( -26.218 -15.137 -7.087) 31.092 3.889 ( -17.333 -10.007 0.401) 20.019 5.208 ( -0.889 -0.514 1.006) 1.438 6.281 ( -21.136 -12.203 -2.152) 24.501 7.463 ( -15.760 -9.099 0.960) 18.223 9.324 ( 6.639 3.833 -2.753) 8.145 9.668 ( -2.945 -1.700 -0.048) 3.401 14.703 ( 4.151 2.397 -24.506) 24.971 19.898 ( 2.341 1.351 0.067) 2.704 34.249 ( -3.610 -2.084 0.718) 4.230 36.929 ( -9.741 -5.624 -0.741) 11.272 49.956 ( 17.075 9.858 4.825) 20.299======================= Grid point 867 (307/781) =======================q-point: (-0.20 0.10 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.033 ( -28.282 -16.328 -3.116) 32.805 3.464 ( -20.547 -11.863 0.516) 23.731 5.176 ( -2.270 -1.311 1.005) 2.808 5.726 ( -28.073 -16.208 0.756) 32.425 7.074 ( -18.944 -10.937 0.642) 21.884 9.470 ( 7.039 4.064 -1.031) 8.194 9.599 ( -3.237 -1.869 0.695) 3.802 14.678 ( 1.958 1.130 -24.610) 24.713 19.954 ( 2.791 1.611 -0.792) 3.318 34.165 ( -4.078 -2.354 0.973) 4.808 36.696 ( -10.509 -6.067 -1.402) 12.215 50.473 ( 26.074 15.054 10.958) 32.040======================= Grid point 868 (308/781) =======================q-point: (-0.15 0.10 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.395 ( -28.661 -16.548 6.738) 33.774 2.976 ( -23.101 -13.337 0.927) 26.691 5.027 ( -34.671 -20.017 2.548) 40.116 5.117 ( -3.214 -1.856 0.873) 3.813 6.628 ( -20.778 -11.996 0.842) 24.007 9.530 ( -3.272 -1.889 1.383) 4.024 9.629 ( 6.738 3.890 2.520) 8.178 14.606 ( 0.125 0.072 -24.432) 24.433 20.014 ( 3.024 1.746 -2.350) 4.209 34.076 ( -4.160 -2.402 1.211) 4.954 36.452 ( -10.366 -5.985 -3.322) 12.422 51.207 ( 32.399 18.706 30.443) 48.233======================= Grid point 869 (309/781) =======================q-point: (-0.10 0.10 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.829 ( -26.203 -15.128 25.261) 39.416 2.439 ( -25.003 -14.436 1.630) 28.917 4.196 ( -40.207 -23.214 3.955) 46.596 5.042 ( -3.607 -2.082 0.675) 4.219 6.157 ( -21.346 -12.324 1.360) 24.686 9.464 ( -3.116 -1.799 1.809) 4.028 9.785 ( 5.498 3.174 5.801) 8.599 14.513 ( -0.229 -0.132 -20.628) 20.629 20.068 ( 2.891 1.669 -4.689) 5.755 33.990 ( -3.894 -2.248 1.354) 4.695 36.202 ( -10.094 -5.828 -8.947) 14.693 52.189 ( 38.745 22.369 75.524) 87.780======================= Grid point 874 (310/781) =======================q-point: ( 0.15 0.15 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2110Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.824 ( -0.000 25.743 10.231) 27.702 1.147 ( -0.000 46.778 7.961) 47.450 2.918 ( -0.000 0.955 89.832) 89.837 4.851 ( -0.000 1.830 0.071) 1.832 4.956 ( -0.000 12.859 1.177) 12.913 9.321 ( -0.000 2.326 0.743) 2.442 9.421 ( 0.000 13.395 -5.211) 14.372 16.056 ( 0.000 -41.620 -2.059) 41.671 20.230 ( -0.000 -11.055 5.452) 12.326 33.823 ( -0.000 1.964 1.173) 2.288 34.167 ( 0.000 32.903 -14.110) 35.801 68.820 ( -0.000 -366.786 226.474) 431.071======================= Grid point 875 (311/781) =======================q-point: ( 0.20 0.15 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.240 ( 13.375 26.118 7.647) 30.324 1.851 ( 23.616 38.316 9.720) 46.047 3.285 ( 2.992 4.395 80.524) 80.699 4.879 ( 0.705 3.253 -0.341) 3.346 5.194 ( 9.188 16.249 4.112) 19.115 9.320 ( -1.862 3.681 -0.062) 4.125 9.639 ( 9.805 11.944 -5.170) 16.295 15.477 ( -17.461 -37.714 2.244) 41.621 20.092 ( -4.664 -8.741 1.588) 10.034 33.843 ( -0.259 3.115 0.970) 3.273 34.609 ( 18.917 28.974 -18.632) 39.300 64.993 (-151.234 -260.176 275.026) 407.679======================= Grid point 876 (312/781) =======================q-point: ( 0.25 0.15 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.787 ( 18.297 24.334 6.267) 31.084 2.644 ( 25.146 25.887 19.298) 40.925 3.754 ( 11.752 12.587 61.294) 63.667 4.933 ( 1.097 4.847 -0.779) 5.030 5.581 ( 14.647 16.158 6.989) 22.901 9.341 ( -0.087 4.099 -0.310) 4.111 9.887 ( 8.642 7.807 -0.886) 11.679 14.859 ( -15.961 -27.540 -5.980) 32.388 19.946 ( -3.933 -5.297 -3.017) 7.255 33.888 ( 1.025 3.984 0.845) 4.200 35.140 ( 21.727 22.040 -16.621) 35.130 61.435 (-143.830 -163.798 250.355) 331.955======================= Grid point 877 (313/781) =======================q-point: ( 0.30 0.15 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.357 ( 19.284 22.655 5.658) 30.284 3.323 ( 20.099 15.426 32.819) 41.461 4.394 ( 22.092 20.020 37.635) 48.013 5.002 ( 0.981 6.285 -0.978) 6.436 6.029 ( 16.999 14.455 7.691) 23.602 9.393 ( 1.400 4.494 -0.192) 4.711 10.052 ( 3.454 2.349 5.704) 7.070 14.379 ( -8.211 -18.145 -21.128) 29.035 19.837 ( -2.255 -3.037 -5.528) 6.698 33.960 ( 1.974 4.861 0.880) 5.320 35.633 ( 20.740 16.848 -11.350) 29.032 58.765 (-120.101 -112.880 204.463) 262.623======================= Grid point 878 (314/781) =======================q-point: ( 0.35 0.15 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.910 ( 18.431 20.985 5.242) 28.417 3.887 ( 16.588 10.036 38.126) 42.772 5.066 ( 3.996 8.930 0.249) 9.787 5.141 ( 23.060 20.020 21.047) 37.088 6.478 ( 17.395 12.239 6.421) 22.217 9.471 ( 2.364 4.789 0.087) 5.341 10.078 ( -3.531 -3.371 10.447) 11.531 14.072 ( 0.812 -10.340 -34.913) 36.421 19.767 ( -0.796 -1.694 -6.005) 6.290 34.053 ( 2.409 5.706 0.981) 6.271 36.080 ( 19.033 12.941 -6.154) 23.824 56.651 (-101.616 -85.014 162.530) 209.688======================= Grid point 879 (315/781) =======================q-point: ( 0.40 0.15 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.419 ( 16.423 19.160 4.811) 25.690 4.369 ( 14.200 6.514 35.547) 38.829 5.149 ( -0.604 9.015 -0.894) 9.080 5.847 ( 25.758 18.717 14.551) 35.008 6.895 ( 16.730 10.025 4.327) 19.978 9.562 ( 2.674 4.652 0.366) 5.378 9.949 ( -9.801 -7.595 10.420) 16.197 13.934 ( 8.507 -4.613 -42.702) 43.784 19.729 ( 0.244 -0.958 -5.189) 5.283 34.156 ( 2.272 6.390 1.060) 6.865 36.477 ( 16.895 9.533 -2.167) 19.520 54.881 ( -86.970 -67.167 127.783) 168.534======================= Grid point 880 (316/781) =======================q-point: ( 0.45 0.15 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.867 ( 13.565 17.051 4.359) 22.220 4.749 ( 11.128 2.052 28.033) 30.230 5.223 ( -2.263 11.305 1.406) 11.615 6.452 ( 21.430 13.851 7.965) 26.730 7.270 ( 15.677 8.176 3.116) 17.954 9.626 ( -1.993 -2.578 2.421) 4.059 9.723 ( -8.845 -2.364 4.538) 10.218 13.928 ( 13.356 -1.341 -44.364) 46.350 19.715 ( 0.911 -0.599 -3.765) 3.919 34.258 ( 1.573 6.802 1.061) 7.061 36.813 ( 14.164 6.216 0.407) 15.474 53.374 ( -73.667 -53.676 99.001) 134.570======================= Grid point 881 (317/781) =======================q-point: ( 0.50 0.15 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.236 ( 9.989 14.455 3.935) 18.006 4.980 ( 6.517 -2.743 16.093) 17.578 5.307 ( -4.058 13.240 6.819) 15.435 6.877 ( 14.499 7.703 -0.128) 16.419 7.607 ( 14.135 6.542 3.995) 16.080 9.380 ( -11.949 -9.734 2.365) 15.593 9.749 ( 0.653 5.505 0.142) 5.545 14.002 ( 15.469 -0.030 -42.481) 45.210 19.718 ( 1.326 -0.436 -2.261) 2.657 34.345 ( 0.395 6.866 0.967) 6.945 37.073 ( 10.782 2.906 1.707) 11.297 52.109 ( -60.382 -42.202 74.849) 105.021======================= Grid point 882 (318/781) =======================q-point: ( 0.55 0.15 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.506 ( 5.438 10.847 3.490) 12.626 5.056 ( 1.980 -3.964 7.514) 8.723 5.368 ( -7.230 11.250 8.246) 15.711 7.089 ( 7.152 2.110 -7.839) 10.819 7.885 ( 10.086 3.639 4.698) 11.706 9.133 ( -7.890 -6.128 0.654) 10.012 9.803 ( -0.354 4.940 -0.287) 4.961 14.113 ( 15.781 0.240 -39.354) 42.401 19.733 ( 1.595 -0.341 -1.048) 1.938 34.409 ( -1.103 6.563 0.812) 6.704 37.242 ( 6.888 -0.281 2.015) 7.183 51.093 ( -46.603 -31.804 54.624) 78.531======================= Grid point 883 (319/781) =======================q-point: ( 0.60 0.15 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.639 ( -0.875 5.270 2.628) 5.953 5.045 ( -1.725 -4.756 5.931) 7.796 5.332 ( -11.005 9.740 2.678) 14.938 7.118 ( 0.927 -1.587 -11.398) 11.546 8.029 ( 3.195 -0.635 3.462) 4.754 9.020 ( -1.372 -1.755 0.952) 2.422 9.828 ( -1.771 4.264 -0.655) 4.663 14.233 ( 15.077 0.184 -36.174) 39.191 19.756 ( 1.792 -0.236 -0.323) 1.836 34.440 ( -2.715 5.922 0.659) 6.548 37.314 ( 2.775 -3.132 1.676) 4.508 50.342 ( -32.246 -22.132 38.248) 54.704======================= Grid point 884 (320/781) =======================q-point: (-0.35 0.15 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.593 ( -7.630 -0.888 1.336) 7.797 4.892 ( -12.880 -7.561 3.726) 15.393 5.273 ( -6.746 10.856 -1.058) 12.825 7.019 ( -4.528 -3.798 -9.915) 11.543 8.013 ( -3.104 -4.223 2.250) 5.703 9.039 ( 3.079 0.725 0.202) 3.170 9.822 ( -3.108 3.546 -0.822) 4.786 14.345 ( 13.707 0.146 -33.477) 36.175 19.785 ( 1.990 -0.068 -0.115) 1.995 34.437 ( -4.223 5.016 0.575) 6.582 37.290 ( -1.191 -5.417 1.032) 5.642 49.873 ( -17.514 -13.138 26.114) 34.077======================= Grid point 885 (321/781) =======================q-point: (-0.30 0.15 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.382 ( -13.638 -7.212 -0.036) 15.428 4.524 ( -21.308 -6.310 -0.218) 22.224 5.285 ( -4.242 9.289 -0.059) 10.212 6.817 ( -10.465 -5.820 -5.573) 13.209 7.870 ( -8.126 -7.079 1.686) 10.908 9.119 ( 5.130 1.680 -1.657) 5.646 9.789 ( -4.139 2.893 -0.666) 5.094 14.438 ( 11.704 0.202 -31.566) 33.666 19.821 ( 2.261 0.193 -0.350) 2.297 34.401 ( -5.439 3.944 0.607) 6.746 37.181 ( -4.650 -6.948 0.351) 8.368 49.698 ( -2.898 -4.992 18.969) 19.828======================= Grid point 886 (322/781) =======================q-point: (-0.25 0.15 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.946 ( -24.289 -13.039 -1.545) 27.611 4.138 ( -19.811 -3.580 0.681) 20.144 5.293 ( -4.805 7.351 0.522) 8.798 6.503 ( -17.482 -8.317 -1.011) 19.386 7.617 ( -12.766 -9.609 1.153) 16.019 9.230 ( 6.656 2.230 -2.346) 7.401 9.737 ( -4.788 2.425 -0.173) 5.370 14.498 ( 9.057 0.345 -30.581) 31.896 19.863 ( 2.627 0.529 -0.965) 2.848 34.338 ( -6.233 2.811 0.755) 6.879 37.008 ( -7.325 -7.621 -0.286) 10.574 49.822 ( 10.875 1.974 17.978) 21.104======================= Grid point 887 (323/781) =======================q-point: (-0.20 0.15 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.371 ( -28.321 -12.886 2.743) 31.235 3.746 ( -22.228 -5.357 1.003) 22.887 5.268 ( -5.794 5.525 0.680) 8.035 6.052 ( -25.276 -11.102 2.377) 27.709 7.270 ( -16.607 -11.277 0.713) 20.086 9.368 ( 7.778 2.122 -0.637) 8.088 9.677 ( -4.994 2.348 0.565) 5.547 14.514 ( 5.954 0.657 -30.308) 30.894 19.912 ( 3.004 0.859 -2.010) 3.716 34.255 ( -6.548 1.713 0.977) 6.839 36.792 ( -9.106 -7.452 -1.137) 11.821 50.236 ( 23.109 7.418 25.157) 34.956======================= Grid point 888 (324/781) =======================q-point: (-0.15 0.15 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.787 ( -29.478 -11.894 12.555) 34.177 3.294 ( -25.125 -6.437 1.497) 25.979 5.211 ( -6.651 3.553 0.652) 7.569 5.454 ( -32.945 -13.227 4.298) 35.761 6.855 ( -19.294 -11.750 0.820) 22.605 9.509 ( 5.578 -0.303 2.237) 6.018 9.637 ( -2.297 3.984 2.166) 5.083 14.483 ( 2.955 1.378 -29.757) 29.935 19.964 ( 3.224 1.070 -3.640) 4.978 34.161 ( -6.394 0.728 1.192) 6.544 36.553 ( -10.168 -6.604 -3.018) 12.494 50.937 ( 33.838 11.259 44.455) 56.991======================= Grid point 889 (325/781) =======================q-point: (-0.10 0.15 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.270 ( -27.770 -9.628 28.757) 41.120 2.791 ( -27.613 -6.864 2.224) 28.540 4.710 ( -39.857 -15.213 5.662) 43.036 5.138 ( -6.935 2.850 0.370) 7.507 6.407 ( -20.994 -11.155 1.429) 23.816 9.510 ( -2.847 -1.160 1.739) 3.532 9.743 ( 5.711 3.233 6.969) 9.573 14.428 ( 1.295 2.942 -26.355) 26.550 20.010 ( 3.131 1.076 -5.890) 6.756 34.065 ( -5.829 -0.094 1.316) 5.976 36.296 ( -11.205 -5.412 -7.536) 14.547 51.960 ( 45.542 14.144 83.800) 96.419======================= Grid point 895 (326/781) =======================q-point: ( 0.20 0.20 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.429 ( -0.000 28.719 7.617) 29.712 2.110 ( -0.000 44.067 10.333) 45.262 3.605 ( -0.000 5.644 74.841) 75.053 4.899 ( -0.000 3.093 -0.066) 3.094 5.329 ( -0.000 21.634 6.159) 22.494 9.382 ( -0.000 3.206 1.025) 3.366 9.661 ( 0.000 15.144 -6.210) 16.368 15.208 ( 0.000 -43.638 -1.423) 43.661 20.040 ( -0.000 -10.270 0.811) 10.302 33.884 ( -0.000 3.217 1.464) 3.534 34.695 ( 0.000 32.709 -16.551) 36.658 64.522 ( -0.000 -268.498 249.707) 366.668======================= Grid point 896 (327/781) =======================q-point: ( 0.25 0.20 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.830 ( 10.351 28.219 6.769) 30.810 2.678 ( 12.975 35.622 15.412) 40.925 3.979 ( 4.304 11.883 61.323) 62.612 4.950 ( 1.924 4.260 -0.555) 4.707 5.626 ( 5.822 21.813 9.549) 24.513 9.402 ( -1.481 4.338 0.518) 4.613 9.842 ( 6.148 11.931 -3.465) 13.862 14.706 ( -7.648 -38.984 -7.496) 40.428 19.925 ( -2.149 -7.853 -2.045) 8.395 33.925 ( 0.279 4.254 1.371) 4.479 35.044 ( 11.223 28.379 -14.369) 33.732 62.382 ( -73.186 -206.766 230.036) 317.844======================= Grid point 897 (328/781) =======================q-point: ( 0.30 0.20 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4004Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.342 ( 14.758 27.113 6.306) 31.507 3.297 ( 16.451 23.278 24.315) 37.466 4.464 ( 11.518 19.850 42.730) 48.503 5.037 ( 2.494 6.334 -1.101) 6.895 5.999 ( 9.646 18.906 11.376) 24.082 9.435 ( -0.253 5.306 0.281) 5.319 10.029 ( 5.066 6.067 1.901) 8.129 14.190 ( -6.332 -30.693 -19.149) 36.727 19.815 ( -1.826 -5.025 -4.416) 6.934 33.992 ( 1.309 5.655 1.281) 5.944 35.473 ( 15.211 22.456 -10.599) 29.120 60.053 ( -90.547 -151.299 199.167) 266.003======================= Grid point 898 (329/781) =======================q-point: ( 0.35 0.20 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.881 ( 15.410 25.927 6.110) 30.773 3.854 ( 15.761 13.568 31.200) 37.496 5.055 ( 15.881 22.871 21.525) 35.194 5.153 ( 4.051 9.812 3.199) 11.087 6.390 ( 11.890 15.035 10.649) 21.928 9.498 ( 1.013 5.917 0.421) 6.018 10.119 ( -0.097 -1.008 7.567) 7.635 13.779 ( 0.173 -21.654 -32.703) 39.223 19.736 ( -0.703 -3.006 -5.303) 6.136 34.087 ( 1.965 7.184 1.299) 7.560 35.898 ( 16.129 16.991 -6.385) 24.282 57.939 ( -89.453 -114.129 165.109) 219.746======================= Grid point 899 (330/781) =======================q-point: ( 0.40 0.20 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4004Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.400 ( 14.128 24.506 5.870) 28.889 4.326 ( 13.766 7.468 31.481) 35.162 5.257 ( 0.807 12.210 -1.149) 12.290 5.706 ( 20.665 21.768 15.790) 33.914 6.765 ( 13.061 11.305 8.271) 19.153 9.582 ( 1.574 5.890 0.743) 6.141 10.054 ( -6.666 -7.150 9.922) 13.929 13.537 ( 8.429 -13.515 -42.693) 45.568 19.691 ( 0.384 -1.822 -4.873) 5.217 34.203 ( 1.907 8.724 1.345) 9.030 36.291 ( 15.689 11.956 -2.758) 19.917 56.069 ( -83.089 -89.006 133.425) 180.632======================= Grid point 900 (331/781) =======================q-point: ( 0.45 0.20 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.871 ( 11.689 22.673 5.459) 26.086 4.692 ( 10.471 2.857 25.716) 27.912 5.393 ( -0.558 15.034 2.024) 15.180 6.281 ( 19.233 16.631 7.694) 26.565 7.113 ( 13.842 8.374 6.028) 17.265 9.647 ( -0.659 0.849 1.980) 2.253 9.864 ( -9.374 -5.460 6.595) 12.696 13.466 ( 15.088 -8.051 -46.314) 49.371 19.674 ( 1.177 -1.249 -3.669) 4.050 34.326 ( 1.081 10.088 1.339) 10.234 36.632 ( 14.350 7.130 -0.159) 16.025 54.421 ( -74.570 -70.443 105.572) 147.202======================= Grid point 901 (332/781) =======================q-point: ( 0.50 0.20 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4004Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.269 ( 8.402 20.112 4.889) 22.338 4.924 ( 6.086 -0.075 16.902) 17.964 5.540 ( -2.611 16.481 6.349) 17.854 6.708 ( 14.472 9.144 -0.717) 17.133 7.445 ( 14.321 6.436 5.631) 16.679 9.476 ( -10.539 -11.941 3.257) 16.256 9.825 ( -1.406 7.835 1.152) 8.043 13.516 ( 18.772 -5.508 -45.293) 49.338 19.676 ( 1.684 -1.038 -2.255) 2.999 34.441 ( -0.417 11.081 1.245) 11.159 36.907 ( 12.220 2.507 1.356) 12.548 52.992 ( -64.476 -55.483 81.594) 117.869======================= Grid point 902 (333/781) =======================q-point: ( 0.55 0.20 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.572 ( 4.265 15.943 4.074) 17.000 5.038 ( 2.035 -0.337 10.552) 10.752 5.649 ( -6.675 15.464 7.165) 18.304 6.940 ( 8.979 2.197 -8.318) 12.436 7.748 ( 12.403 3.775 5.744) 14.180 9.205 ( -8.899 -9.105 1.061) 12.775 9.888 ( -1.649 8.533 0.516) 8.706 13.630 ( 20.102 -4.643 -42.429) 47.179 19.691 ( 1.995 -0.980 -1.087) 2.474 34.533 ( -2.377 11.537 1.076) 11.829 37.099 ( 9.402 -1.724 1.941) 9.754 51.797 ( -52.929 -42.715 61.387) 91.621======================= Grid point 903 (334/781) =======================q-point: ( 0.60 0.20 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4004Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.735 ( -1.051 8.524 2.730) 9.012 5.084 ( -1.462 1.520 8.500) 8.758 5.654 ( -11.900 13.816 2.952) 18.471 7.012 ( 4.455 -1.657 -11.450) 12.397 7.952 ( 6.970 -0.508 4.477) 8.300 9.036 ( -3.543 -4.326 0.632) 5.628 9.931 ( -3.157 8.225 0.159) 8.811 13.771 ( 19.996 -4.192 -39.268) 44.265 19.714 ( 2.197 -0.931 -0.437) 2.426 34.591 ( -4.512 11.358 0.891) 12.254 37.203 ( 6.092 -5.274 1.860) 8.270 50.853 ( -40.036 -31.483 45.094) 68.026======================= Grid point 904 (335/781) =======================q-point: (-0.35 0.20 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.720 ( -6.639 0.569 1.577) 6.847 5.055 ( -8.640 0.636 7.313) 11.337 5.569 ( -13.054 14.700 -2.193) 19.781 6.988 ( 0.090 -2.788 -9.311) 9.720 8.002 ( 0.532 -4.573 2.906) 5.444 8.999 ( 1.476 -1.046 0.126) 1.813 9.941 ( -4.735 7.542 -0.078) 8.905 13.918 ( 18.920 -3.458 -36.424) 41.190 19.743 ( 2.366 -0.796 -0.370) 2.523 34.607 ( -6.512 10.527 0.757) 12.402 37.218 ( 2.567 -7.855 1.413) 8.384 50.187 ( -26.000 -21.516 33.161) 47.314======================= Grid point 905 (336/781) =======================q-point: (-0.30 0.20 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4004Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.545 ( -12.213 -5.028 1.427) 13.284 4.831 ( -18.762 -1.292 2.782) 19.011 5.521 ( -9.428 15.334 -1.849) 18.095 6.889 ( -5.462 -3.323 -4.505) 7.821 7.914 ( -4.754 -7.642 1.997) 9.219 9.044 ( 4.163 0.315 -1.376) 4.396 9.919 ( -5.935 6.618 -0.086) 8.890 14.059 ( 16.940 -2.246 -34.194) 38.226 19.776 ( 2.570 -0.532 -0.796) 2.743 34.582 ( -8.102 9.116 0.725) 12.218 37.152 ( -0.869 -9.265 0.857) 9.345 49.818 ( -11.209 -12.799 26.302) 31.325======================= Grid point 906 (337/781) =======================q-point: (-0.25 0.20 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.212 ( -19.941 -9.189 2.356) 22.082 4.479 ( -21.785 -0.117 0.871) 21.803 5.509 ( -8.570 13.157 -0.448) 15.709 6.694 ( -12.580 -4.476 0.282) 13.356 7.713 ( -9.435 -10.174 1.315) 13.938 9.130 ( 5.999 1.155 -2.190) 6.490 9.872 ( -6.568 5.593 0.199) 8.629 14.180 ( 14.026 -0.610 -32.747) 35.630 19.813 ( 2.841 -0.158 -1.592) 3.261 34.519 ( -9.091 7.271 0.803) 11.669 37.021 ( -3.946 -9.438 0.311) 10.234 49.764 ( 3.744 -5.511 25.515) 26.370======================= Grid point 907 (338/781) =======================q-point: (-0.20 0.20 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4004Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.742 ( -26.029 -9.306 6.456) 28.386 4.105 ( -23.010 -0.760 1.387) 23.064 5.475 ( -9.026 10.276 0.112) 13.678 6.370 ( -20.837 -6.136 3.782) 22.048 7.416 ( -13.512 -11.560 0.694) 17.796 9.253 ( 7.603 1.589 -0.826) 7.812 9.812 ( -6.595 4.552 0.721) 8.046 14.267 ( 10.341 1.391 -31.988) 33.647 19.856 ( 3.125 0.239 -2.728) 4.155 34.427 ( -9.399 5.193 0.951) 10.780 36.844 ( -6.509 -8.475 -0.370) 10.693 50.033 ( 18.246 0.081 32.315) 37.111======================= Grid point 908 (339/781) =======================q-point: (-0.15 0.20 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.236 ( -28.392 -7.562 15.267) 33.111 3.692 ( -25.502 -1.701 2.232) 25.656 5.404 ( -9.522 7.011 0.268) 11.828 5.899 ( -29.260 -7.407 5.609) 30.700 7.051 ( -16.661 -11.105 0.636) 20.033 9.404 ( 7.981 1.114 2.403) 8.409 9.750 ( -5.587 3.580 1.530) 6.810 14.312 ( 6.445 3.779 -31.267) 32.147 19.901 ( 3.282 0.540 -4.285) 5.424 34.315 ( -9.055 3.108 1.092) 9.636 36.639 ( -8.619 -6.634 -1.721) 11.012 50.630 ( 32.198 3.767 49.269) 58.977======================= Grid point 909 (340/781) =======================q-point: (-0.10 0.20 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4004Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.781 ( -27.745 -4.831 28.651) 40.175 3.232 ( -28.067 -2.103 3.112) 28.318 5.232 ( -26.488 -5.642 5.066) 27.552 5.354 ( -19.859 2.011 1.608) 20.026 6.653 ( -19.159 -8.977 1.297) 21.198 9.524 ( 2.475 -0.222 3.692) 4.450 9.735 ( 0.403 2.524 4.689) 5.341 14.328 ( 3.506 6.566 -28.981) 29.922 19.942 ( 3.171 0.652 -6.292) 7.076 34.194 ( -8.175 1.235 1.142) 8.346 36.411 ( -10.700 -4.270 -4.727) 12.453 51.582 ( 47.125 5.471 80.730) 93.637======================= Grid point 916 (341/781) =======================q-point: ( 0.25 0.25 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2110Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.042 ( -0.000 28.645 6.448) 29.362 2.990 ( -0.000 34.775 17.896) 39.110 4.294 ( -0.000 15.984 52.261) 54.650 4.966 ( 0.000 3.856 -0.391) 3.876 5.848 ( -0.000 23.626 11.947) 26.475 9.456 ( -0.000 3.501 0.961) 3.630 9.901 ( 0.000 12.958 -3.364) 13.387 14.332 ( 0.000 -41.605 -11.545) 43.177 19.855 ( 0.000 -7.689 -2.907) 8.220 33.967 ( -0.000 4.100 1.542) 4.381 35.191 ( 0.000 29.672 -11.863) 31.956 61.794 ( -0.000 -198.638 208.050) 287.648======================= Grid point 917 (342/781) =======================q-point: ( 0.30 0.25 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.426 ( 9.387 27.808 6.106) 29.978 3.435 ( 6.985 26.416 23.296) 35.907 4.693 ( 4.660 22.557 38.728) 45.060 5.032 ( 3.224 4.642 -0.901) 5.723 6.147 ( 2.898 21.786 13.618) 25.855 9.490 ( -0.275 4.157 0.709) 4.226 10.035 ( 2.893 8.857 0.100) 9.319 13.854 ( -2.581 -37.821 -19.569) 42.662 19.767 ( -0.772 -5.795 -4.196) 7.197 34.026 ( 1.310 4.920 1.481) 5.303 35.491 ( 6.739 26.601 -8.832) 28.827 60.352 ( -43.269 -166.477 184.177) 252.008======================= Grid point 918 (343/781) =======================q-point: ( 0.35 0.25 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.917 ( 13.837 26.794 6.128) 30.772 3.891 ( 10.186 16.890 27.844) 34.122 5.152 ( 4.817 7.841 -1.191) 9.279 5.181 ( 9.803 25.716 24.740) 37.006 6.460 ( 4.832 18.042 13.599) 23.104 9.542 ( 0.769 5.073 0.700) 5.179 10.136 ( 0.870 1.745 5.196) 5.550 13.400 ( 0.373 -30.242 -30.668) 43.072 19.692 ( -0.380 -3.776 -4.800) 6.119 34.121 ( 2.734 6.462 1.460) 7.167 35.842 ( 9.812 21.672 -5.567) 24.432 58.633 ( -62.276 -133.776 157.709) 215.978======================= Grid point 919 (344/781) =======================q-point: ( 0.40 0.25 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.437 ( 14.138 25.900 6.336) 30.180 4.308 ( 11.070 9.484 28.302) 31.835 5.313 ( 5.345 9.665 -1.735) 11.180 5.712 ( 12.932 26.455 14.776) 32.946 6.759 ( 6.518 13.617 11.871) 19.205 9.616 ( 1.476 5.207 1.068) 5.517 10.117 ( -4.231 -5.642 8.844) 11.312 13.074 ( 7.296 -21.088 -40.816) 46.518 19.646 ( 0.427 -2.337 -4.422) 5.020 34.252 ( 3.374 8.479 1.499) 9.248 36.187 ( 10.938 16.008 -2.610) 19.563 56.905 ( -68.285 -106.931 130.869) 182.274======================= Grid point 920 (345/781) =======================q-point: ( 0.45 0.25 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.931 ( 12.035 24.737 6.400) 28.243 4.651 ( 9.581 4.276 24.141) 26.322 5.508 ( 4.890 13.170 0.294) 14.052 6.214 ( 13.183 21.598 6.436) 26.109 7.037 ( 8.540 9.526 9.509) 15.940 9.672 ( -0.651 -0.125 2.391) 2.481 9.979 ( -7.123 -5.068 7.291) 11.384 12.929 ( 14.716 -13.634 -45.616) 49.833 19.626 ( 1.175 -1.557 -3.327) 3.857 34.406 ( 2.882 10.732 1.521) 11.216 36.494 ( 11.021 9.973 -0.347) 14.867 55.271 ( -67.527 -85.419 105.568) 151.660======================= Grid point 921 (346/781) =======================q-point: ( 0.50 0.25 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.361 ( 8.537 22.536 6.082) 24.854 4.893 ( 6.538 1.612 17.441) 18.696 5.727 ( 2.861 16.038 3.865) 16.743 6.593 ( 10.144 12.996 -2.040) 16.612 7.314 ( 11.243 6.794 8.100) 15.433 9.528 ( -8.562 -13.073 3.639) 16.045 9.943 ( -1.970 8.093 2.760) 8.775 12.939 ( 19.781 -9.827 -45.203) 50.311 19.627 ( 1.708 -1.268 -1.993) 2.915 34.563 ( 1.236 12.899 1.463) 13.041 36.744 ( 10.416 3.863 1.082) 11.162 53.786 ( -62.687 -67.732 82.825) 124.005======================= Grid point 922 (347/781) =======================q-point: ( 0.55 0.25 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.686 ( 3.926 17.152 5.164) 18.338 5.051 ( 3.542 2.998 12.171) 13.025 5.921 ( -2.282 17.557 5.585) 18.565 6.790 ( 6.936 3.525 -9.667) 12.409 7.600 ( 12.116 4.186 7.156) 14.681 9.258 ( -8.606 -11.727 1.561) 14.629 10.020 ( -1.915 10.950 1.990) 11.293 13.041 ( 22.385 -8.484 -42.488) 48.768 19.642 ( 2.048 -1.240 -0.880) 2.551 34.702 ( -1.347 14.599 1.315) 14.720 36.925 ( 9.253 -1.877 1.733) 9.599 52.484 ( -54.917 -52.798 63.219) 98.995======================= Grid point 923 (348/781) =======================q-point: ( 0.60 0.25 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.845 ( -1.081 7.018 3.743) 8.027 5.181 ( 0.167 8.346 9.801) 12.874 6.007 ( -10.031 17.454 2.424) 20.277 6.857 ( 6.161 -1.869 -12.057) 13.668 7.829 ( 9.092 -0.130 5.476) 10.615 9.055 ( -4.754 -6.847 0.559) 8.355 10.090 ( -3.758 11.422 1.752) 12.151 13.194 ( 23.361 -7.649 -39.272) 46.331 19.664 ( 2.272 -1.267 -0.297) 2.619 34.805 ( -4.455 15.439 1.121) 16.108 37.032 ( 7.585 -6.676 1.789) 10.262 51.401 ( -44.771 -39.987 47.250) 76.393======================= Grid point 924 (349/781) =======================q-point: ( 0.65 0.25 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.833 ( -5.321 0.148 2.924) 6.073 5.255 ( -6.337 7.964 7.993) 12.941 5.951 ( -14.765 16.838 -3.601) 22.682 6.891 ( 4.659 -1.945 -8.060) 9.511 7.931 ( 3.783 -4.767 3.659) 7.101 8.970 ( -0.197 -2.837 -0.056) 2.844 10.124 ( -5.888 10.842 1.490) 12.427 13.376 ( 23.119 -6.126 -36.176) 43.367 19.690 ( 2.456 -1.206 -0.335) 2.756 34.857 ( -7.557 15.110 0.952) 16.921 37.067 ( 5.453 -9.971 1.496) 11.463 50.569 ( -32.603 -28.959 35.509) 56.236======================= Grid point 925 (350/781) =======================q-point: (-0.30 0.25 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.700 ( -9.896 -3.486 3.115) 10.945 5.147 ( -15.777 3.532 3.717) 16.589 5.863 ( -12.854 17.421 -4.184) 22.051 6.902 ( -0.044 -0.638 -2.649) 2.725 7.897 ( -1.422 -8.371 2.378) 8.818 8.976 ( 2.940 -0.835 -1.234) 3.296 10.114 ( -7.558 9.446 1.239) 12.161 13.574 ( 21.637 -3.600 -33.486) 40.030 19.720 ( 2.656 -0.979 -0.899) 2.970 34.851 ( -10.119 13.497 0.863) 16.891 37.037 ( 2.924 -11.383 1.094) 11.803 50.020 ( -18.788 -19.592 28.707) 39.508======================= Grid point 926 (351/781) =======================q-point: (-0.25 0.25 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.454 ( -15.712 -5.757 4.492) 17.326 4.859 ( -21.316 2.088 0.930) 21.438 5.816 ( -11.187 15.460 -1.714) 19.160 6.840 ( -7.053 -0.263 1.704) 7.261 7.746 ( -5.966 -10.978 1.440) 12.577 9.036 ( 5.063 0.350 -2.089) 5.488 10.066 ( -8.389 7.533 1.120) 11.330 13.774 ( 18.832 -0.312 -31.468) 36.674 19.754 ( 2.894 -0.593 -1.818) 3.469 34.787 ( -11.747 10.780 0.869) 15.967 36.957 ( 0.113 -10.874 0.732) 10.900 49.782 ( -3.833 -11.955 27.681) 30.395======================= Grid point 927 (352/781) =======================q-point: (-0.20 0.25 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.102 ( -21.726 -5.851 8.203) 23.949 4.505 ( -23.049 1.576 1.554) 23.155 5.757 ( -11.286 11.685 -0.375) 16.250 6.659 ( -15.515 -0.925 4.762) 16.255 7.502 ( -9.880 -11.842 0.581) 15.433 9.139 ( 7.033 1.222 -1.225) 7.243 9.990 ( -8.381 5.363 1.163) 10.018 13.957 ( 14.875 3.353 -30.250) 33.876 19.792 ( 3.125 -0.140 -2.979) 4.320 34.676 ( -12.283 7.420 0.937) 14.381 36.840 ( -2.818 -8.786 0.364) 9.234 49.875 ( 11.685 -6.256 33.489) 36.016======================= Grid point 928 (353/781) =======================q-point: (-0.15 0.25 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.696 ( -25.370 -3.904 15.623) 30.049 4.123 ( -24.798 0.598 2.918) 24.977 5.656 ( -11.626 7.257 0.149) 13.705 6.329 ( -24.375 -2.236 6.271) 25.268 7.202 ( -13.043 -9.754 0.305) 16.290 9.285 ( 8.485 1.423 1.638) 8.758 9.900 ( -7.633 3.089 1.311) 8.338 14.106 ( 10.326 7.053 -29.607) 32.140 19.833 ( 3.231 0.249 -4.387) 5.454 34.530 ( -11.817 4.022 1.001) 12.523 36.697 ( -5.747 -5.712 -0.344) 8.110 50.313 ( 27.450 -2.770 47.622) 55.037======================= Grid point 929 (354/781) =======================q-point: (-0.10 0.25 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.314 ( -26.058 -0.996 26.463) 37.153 3.701 ( -27.021 -0.174 4.021) 27.319 5.506 ( -12.250 2.592 0.793) 12.547 5.853 ( -31.367 -2.456 6.190) 32.066 6.885 ( -16.051 -5.384 0.949) 16.956 9.452 ( 7.823 0.886 5.056) 9.357 9.811 ( -5.425 0.831 1.941) 5.821 14.218 ( 6.207 10.384 -28.780) 31.219 19.870 ( 3.088 0.465 -6.068) 6.824 34.369 ( -10.605 1.151 0.990) 10.713 36.532 ( -8.736 -2.281 -2.014) 9.250 51.117 ( 44.034 -1.878 72.193) 84.584======================= Grid point 937 (355/781) =======================q-point: ( 0.30 0.30 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.634 ( -0.000 27.350 5.599) 27.917 3.718 ( -0.000 22.793 25.782) 34.413 5.030 ( -0.000 27.238 30.253) 40.709 5.039 ( 0.000 4.014 -0.817) 4.096 6.392 ( -0.000 21.315 14.200) 25.612 9.529 ( -0.000 3.282 0.671) 3.350 10.100 ( -0.000 7.833 1.416) 7.960 13.415 ( 0.000 -38.648 -23.496) 45.230 19.702 ( 0.000 -5.057 -4.432) 6.724 34.063 ( -0.000 4.548 1.426) 4.766 35.674 ( 0.000 27.167 -6.487) 27.931 59.772 ( -0.000 -158.388 165.358) 228.976======================= Grid point 938 (356/781) =======================q-point: ( 0.35 0.30 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.996 ( 9.093 26.188 5.407) 28.244 4.047 ( 3.785 16.340 27.924) 32.574 5.113 ( 4.391 4.382 -1.258) 6.330 5.443 ( 3.576 30.840 20.913) 37.433 6.651 ( 0.906 18.723 13.681) 23.206 9.570 ( 0.941 3.476 0.603) 3.651 10.170 ( 0.000 2.309 5.167) 5.659 12.957 ( 0.833 -33.879 -30.824) 45.810 19.642 ( -0.049 -3.607 -4.434) 5.716 34.136 ( 2.512 5.130 1.351) 5.870 35.941 ( 3.539 24.622 -4.001) 25.195 58.645 ( -29.356 -138.651 144.274) 202.240======================= Grid point 939 (357/781) =======================q-point: ( 0.40 0.30 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4004Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.467 ( 13.993 24.914 5.665) 29.130 4.366 ( 6.040 10.195 27.367) 29.823 5.260 ( 7.900 5.697 -1.812) 9.907 5.892 ( 5.824 31.106 12.787) 34.132 6.884 ( 1.410 15.011 12.297) 19.456 9.633 ( 1.943 3.358 0.982) 4.003 10.160 ( -3.023 -5.187 8.835) 10.682 12.585 ( 5.671 -25.109 -38.919) 46.662 19.600 ( 0.400 -2.272 -3.843) 4.482 34.260 ( 4.843 6.562 1.361) 8.268 36.222 ( 4.901 20.078 -1.753) 20.742 57.262 ( -45.947 -116.405 121.939) 174.730======================= Grid point 940 (358/781) =======================q-point: ( 0.45 0.30 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.971 ( 14.413 23.814 6.191) 28.516 4.647 ( 6.749 5.124 23.546) 25.024 5.474 ( 10.315 7.896 -1.334) 13.058 6.319 ( 5.936 27.690 5.470) 28.842 7.085 ( 2.518 10.896 10.647) 15.441 9.677 ( -0.186 -2.272 2.454) 3.349 10.058 ( -4.504 -5.376 8.240) 10.820 12.379 ( 12.430 -16.434 -43.201) 47.863 19.581 ( 0.970 -1.435 -2.738) 3.239 34.432 ( 6.003 8.728 1.412) 10.687 36.473 ( 5.184 14.193 -0.014) 15.110 55.807 ( -53.566 -95.477 99.697) 148.070======================= Grid point 941 (359/781) =======================q-point: ( 0.50 0.30 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4004Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.442 ( 11.307 22.226 6.678) 25.816 4.867 ( 6.207 1.942 17.482) 18.652 5.746 ( 11.227 10.289 0.716) 15.246 6.639 ( 2.595 20.445 -2.652) 20.779 7.276 ( 5.465 7.599 9.795) 13.548 9.538 ( -6.901 -14.348 3.762) 16.360 10.053 ( -0.212 6.935 4.638) 8.345 12.340 ( 18.006 -11.896 -42.618) 47.771 19.582 ( 1.437 -1.108 -1.467) 2.334 34.635 ( 5.494 11.447 1.425) 12.777 36.667 ( 5.095 7.408 1.089) 9.057 54.388 ( -55.093 -76.866 78.792) 123.092======================= Grid point 942 (360/781) =======================q-point: ( 0.55 0.30 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.797 ( 4.547 15.084 7.054) 17.262 5.054 ( 6.725 5.400 11.585) 14.443 6.041 ( 9.143 12.705 3.037) 15.945 6.764 ( -2.147 10.293 -10.583) 14.918 7.497 ( 8.588 5.138 8.763) 13.302 9.276 ( -7.525 -13.949 2.044) 15.981 10.166 ( -0.329 11.970 4.125) 12.665 12.412 ( 21.821 -10.745 -39.888) 46.719 19.595 ( 1.760 -1.118 -0.435) 2.130 34.841 ( 3.161 14.379 1.351) 14.784 36.795 ( 5.069 0.260 1.583) 5.317 53.075 ( -52.230 -60.633 60.213) 100.149======================= Grid point 943 (361/781) =======================q-point: ( 0.60 0.30 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4004Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.931 ( -0.807 3.577 6.088) 7.107 5.291 ( 4.227 13.057 8.502) 16.145 6.295 ( 0.903 16.814 3.687) 17.237 6.725 ( -0.973 0.673 -15.053) 15.100 7.703 ( 8.244 0.797 6.583) 10.580 9.062 ( -4.813 -9.049 0.828) 10.282 10.283 ( -2.955 13.748 4.241) 14.687 12.555 ( 24.468 -10.094 -36.671) 45.226 19.614 ( 1.991 -1.238 0.070) 2.345 35.021 ( -0.808 16.917 1.205) 16.979 36.858 ( 5.317 -6.420 1.602) 8.489 51.923 ( -45.913 -46.625 44.785) 79.294======================= Grid point 944 (362/781) =======================q-point: ( 0.65 0.30 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.923 ( -3.859 -0.532 4.667) 6.079 5.462 ( -2.733 11.645 6.774) 13.747 6.349 ( -14.098 17.765 -5.407) 23.315 6.735 ( 8.549 -1.280 -6.499) 10.815 7.821 ( 5.182 -4.544 4.413) 8.184 8.948 ( -1.294 -4.493 0.019) 4.676 10.355 ( -6.200 13.347 3.981) 15.245 12.759 ( 25.903 -7.905 -33.289) 42.914 19.638 ( 2.201 -1.275 -0.047) 2.544 35.142 ( -5.762 18.107 1.047) 19.031 36.868 ( 5.716 -11.413 1.346) 12.835 50.977 ( -36.684 -34.678 33.278) 60.462======================= Grid point 945 (363/781) =======================q-point: (-0.30 0.30 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4004Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.831 ( -7.350 -2.542 4.372) 8.922 5.447 ( -12.024 6.604 3.007) 14.044 6.234 ( -13.700 15.609 -7.124) 21.956 6.864 ( 5.126 3.207 0.295) 6.054 7.821 ( 1.177 -9.108 2.749) 9.586 8.921 ( 1.632 -1.779 -1.008) 2.616 10.361 ( -8.780 11.094 3.279) 14.523 13.017 ( 25.583 -3.787 -29.982) 39.595 19.664 ( 2.439 -1.113 -0.692) 2.769 35.180 ( -10.518 16.904 0.936) 19.931 36.846 ( 5.671 -13.404 1.033) 14.592 50.280 ( -24.953 -24.701 26.442) 43.954======================= Grid point 946 (364/781) =======================q-point: (-0.25 0.30 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.659 ( -11.692 -3.562 5.399) 13.362 5.230 ( -18.959 3.411 0.160) 19.264 6.150 ( -11.801 13.919 -2.764) 18.457 6.943 ( -1.658 4.880 3.029) 5.979 7.711 ( -2.661 -12.169 1.465) 12.542 8.953 ( 3.870 -0.220 -1.862) 4.300 10.305 ( -10.052 7.884 2.471) 13.011 13.311 ( 23.258 1.393 -27.291) 35.884 19.693 ( 2.708 -0.740 -1.670) 3.266 35.124 ( -13.771 13.091 0.890) 19.022 36.810 ( 4.421 -11.957 0.833) 12.775 49.870 ( -11.184 -16.727 25.017) 32.105======================= Grid point 947 (365/781) =======================q-point: (-0.20 0.30 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4004Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.413 ( -16.521 -3.209 8.350) 18.787 4.911 ( -21.895 2.164 1.074) 22.027 6.062 ( -12.172 10.019 -0.183) 15.766 6.910 ( -9.989 4.436 5.044) 12.038 7.519 ( -5.810 -12.325 0.259) 13.628 9.033 ( 6.039 0.876 -1.567) 6.300 10.202 ( -10.103 4.553 1.824) 11.231 13.609 ( 19.244 6.578 -25.704) 32.776 19.728 ( 2.953 -0.244 -2.810) 4.084 34.985 ( -14.946 7.877 0.890) 16.919 36.768 ( 1.784 -8.139 0.765) 8.367 49.778 ( 4.068 -10.920 29.736) 31.937======================= Grid point 948 (366/781) =======================q-point: (-0.15 0.30 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.118 ( -20.499 -1.308 14.176) 24.958 4.551 ( -23.536 0.933 3.073) 23.754 5.926 ( -12.906 5.173 0.754) 13.925 6.715 ( -19.014 1.021 6.278) 20.050 7.300 ( -8.383 -7.216 -0.303) 11.065 9.161 ( 8.125 1.354 0.443) 8.249 10.072 ( -9.352 1.545 1.366) 9.576 13.881 ( 14.224 11.037 -25.378) 31.116 19.766 ( 3.064 0.225 -4.047) 5.081 34.791 ( -14.398 2.956 0.899) 14.726 36.715 ( -1.729 -3.607 0.620) 4.047 50.027 ( 20.307 -7.551 41.386) 46.714======================= Grid point 949 (367/781) =======================q-point: (-0.10 0.30 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4004Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.823 ( -22.423 1.543 22.822) 32.032 4.158 ( -25.272 -0.233 4.459) 25.663 5.737 ( -13.021 0.375 0.847) 13.054 6.350 ( -26.256 -1.289 6.622) 27.109 7.095 ( -11.937 -0.256 0.328) 11.944 9.331 ( 9.408 1.090 3.771) 10.194 9.932 ( -8.016 -0.919 1.099) 8.143 14.104 ( 9.103 14.220 -26.079) 31.067 19.802 ( 2.922 0.532 -5.391) 6.155 34.574 ( -12.803 -0.595 0.869) 12.846 36.641 ( -5.567 0.530 -0.031) 5.592 50.635 ( 37.429 -7.039 60.817) 71.758======================= Grid point 958 (368/781) =======================q-point: ( 0.35 0.35 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2110Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.186 ( -0.000 25.205 4.768) 25.652 4.268 ( -0.000 12.718 28.361) 31.081 5.106 ( 0.000 3.514 -1.244) 3.728 5.799 ( -0.000 33.346 15.655) 36.838 6.872 ( -0.000 17.252 12.213) 21.138 9.592 ( -0.000 2.724 0.335) 2.744 10.203 ( -0.000 -1.727 7.712) 7.903 12.502 ( 0.000 -31.396 -33.953) 46.244 19.594 ( 0.000 -2.727 -3.923) 4.778 34.163 ( -0.000 4.552 1.166) 4.699 36.146 ( 0.000 24.589 -2.198) 24.687 58.081 ( -0.000 -130.968 127.474) 182.763======================= Grid point 959 (369/781) =======================q-point: ( 0.40 0.35 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.521 ( 9.024 23.724 4.609) 25.797 4.496 ( 2.085 8.455 27.191) 28.552 5.179 ( 5.404 3.475 -1.641) 6.631 6.192 ( 1.733 33.415 10.357) 35.026 7.068 ( -0.334 14.536 10.305) 17.821 9.631 ( 1.499 2.205 0.480) 2.710 10.172 ( -1.781 -9.253 10.668) 14.233 12.120 ( 3.387 -23.209 -38.286) 44.899 19.561 ( 0.258 -1.697 -3.066) 3.514 34.243 ( 3.734 4.883 1.067) 6.239 36.380 ( 0.962 21.990 -0.568) 22.018 57.132 ( -21.666 -116.169 108.764) 160.606======================= Grid point 960 (370/781) =======================q-point: ( 0.45 0.35 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.965 ( 14.414 22.046 4.954) 26.801 4.703 ( 3.213 4.560 23.787) 24.432 5.342 ( 10.385 4.124 -1.962) 11.344 6.567 ( 1.564 30.807 4.764) 31.212 7.220 ( -0.626 11.169 8.796) 14.230 9.658 ( -0.202 -3.516 1.978) 4.039 10.071 ( -1.194 -10.088 9.686) 14.036 11.891 ( 8.392 -13.995 -39.694) 42.917 19.547 ( 0.644 -0.960 -1.909) 2.232 34.393 ( 7.199 6.034 1.060) 9.453 36.586 ( 0.416 17.499 0.655) 17.516 55.971 ( -35.561 -98.735 89.327) 137.813======================= Grid point 961 (371/781) =======================q-point: ( 0.50 0.35 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.448 ( 15.212 20.360 5.639) 26.033 4.869 ( 3.461 1.430 18.352) 18.731 5.591 ( 14.400 5.074 -1.440) 15.336 6.852 ( -1.565 25.248 -2.686) 25.438 7.343 ( 0.641 8.195 9.085) 12.251 9.512 ( -5.906 -15.917 3.733) 17.383 10.096 ( 4.240 3.239 6.070) 8.082 11.813 ( 12.821 -9.714 -37.521) 40.824 19.548 ( 0.989 -0.670 -0.710) 1.390 34.606 ( 9.352 7.970 1.081) 12.335 36.731 ( -0.714 11.591 1.372) 11.694 54.731 ( -43.006 -81.246 70.353) 115.758======================= Grid point 962 (372/781) =======================q-point: ( 0.55 0.35 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.870 ( 7.703 14.205 8.035) 18.047 5.013 ( 7.889 3.699 10.800) 13.876 5.903 ( 16.420 5.730 -0.484) 17.398 6.956 ( -7.499 16.842 -10.264) 21.101 7.487 ( 3.507 6.670 9.711) 12.292 9.255 ( -6.170 -15.798 2.498) 17.143 10.271 ( 4.435 10.827 6.323) 13.300 11.831 ( 16.850 -10.071 -34.668) 39.840 19.560 ( 1.240 -0.736 0.214) 1.458 34.862 ( 9.516 10.669 1.060) 14.335 36.795 ( -1.672 4.631 1.603) 5.178 53.505 ( -45.313 -64.970 52.972) 95.291======================= Grid point 963 (373/781) =======================q-point: ( 0.60 0.35 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.989 ( -0.418 0.728 8.441) 8.482 5.331 ( 10.163 13.681 5.902) 18.036 6.235 ( 16.056 5.604 0.159) 17.006 6.875 ( -12.032 11.589 -13.555) 21.513 7.638 ( 4.227 2.781 7.751) 9.256 9.045 ( -4.030 -10.726 1.394) 11.543 10.473 ( 0.560 15.124 7.630) 16.949 11.922 ( 21.708 -11.265 -32.100) 40.356 19.576 ( 1.436 -0.947 0.625) 1.830 35.130 ( 7.167 14.044 0.978) 15.797 36.779 ( -1.682 -2.988 1.463) 3.728 52.365 ( -43.409 -50.470 38.200) 76.752======================= Grid point 964 (374/781) =======================q-point: ( 0.65 0.35 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.988 ( -2.459 -1.293 6.050) 6.658 5.596 ( 3.529 11.556 4.290) 12.822 6.531 ( 13.299 1.317 -2.268) 13.555 6.719 ( -13.567 15.014 -9.981) 22.563 7.725 ( 3.121 -3.276 5.320) 6.984 8.923 ( -1.492 -5.776 0.508) 5.987 10.615 ( -5.263 15.310 7.601) 17.885 12.112 ( 26.619 -9.073 -28.657) 40.151 19.594 ( 1.650 -1.083 0.450) 2.024 35.368 ( 1.759 17.619 0.876) 17.729 36.702 ( 0.219 -10.487 1.120) 10.549 51.370 ( -37.883 -37.969 26.953) 60.027======================= Grid point 965 (375/781) =======================q-point: ( 0.70 0.35 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.930 ( -4.949 -2.204 4.983) 7.361 5.679 ( -5.969 6.910 0.836) 9.169 6.519 ( -7.993 6.371 -8.933) 13.575 6.835 ( 5.133 12.615 2.471) 13.842 7.717 ( 1.232 -9.262 3.219) 9.883 8.878 ( 0.702 -2.476 -0.475) 2.617 10.643 ( -9.560 11.202 5.745) 15.808 12.423 ( 28.616 -2.573 -24.151) 37.533 19.614 ( 1.927 -0.992 -0.217) 2.178 35.515 ( -6.698 19.143 0.814) 20.298 36.614 ( 4.548 -15.328 0.767) 16.007 50.572 ( -29.143 -27.559 20.049) 44.841======================= Grid point 966 (376/781) =======================q-point: (-0.25 0.35 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.817 ( -8.025 -2.432 5.311) 9.926 5.545 ( -14.367 2.922 -1.800) 14.771 6.437 ( -9.129 9.506 -2.105) 13.347 7.025 ( 1.975 11.050 2.882) 11.589 7.616 ( -0.721 -13.612 1.457) 13.709 8.889 ( 2.579 -0.540 -1.335) 2.954 10.567 ( -11.234 6.020 3.695) 13.270 12.824 ( 26.963 4.959 -20.458) 34.207 19.639 ( 2.260 -0.638 -1.182) 2.629 35.502 ( -14.540 14.373 0.771) 20.459 36.584 ( 8.179 -13.036 0.623) 15.402 50.020 ( -17.599 -19.328 18.192) 31.847======================= Grid point 967 (377/781) =======================q-point: (-0.20 0.35 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.655 ( -11.505 -1.728 7.314) 13.742 5.274 ( -18.707 0.968 -0.587) 18.741 6.350 ( -11.503 7.426 1.445) 13.768 7.118 ( -4.988 8.755 4.196) 10.915 7.458 ( -1.720 -13.101 -0.410) 13.220 8.944 ( 4.597 0.627 -1.562) 4.896 10.424 ( -11.260 1.773 2.295) 11.628 13.252 ( 22.938 11.222 -18.714) 31.659 19.669 ( 2.574 -0.108 -2.255) 3.423 35.329 ( -17.210 5.867 0.725) 18.197 36.628 ( 7.004 -6.015 0.767) 9.264 49.754 ( -3.765 -13.431 21.937) 25.996======================= Grid point 968 (378/781) =======================q-point: (-0.15 0.35 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.459 ( -14.787 0.022 11.506) 18.736 4.943 ( -21.059 -0.485 1.997) 21.159 6.193 ( -13.735 2.417 2.382) 14.149 7.017 ( -13.279 -1.311 5.567) 14.458 7.348 ( -2.981 -0.765 -1.234) 3.316 9.045 ( 6.923 1.115 -0.650) 7.042 10.248 ( -10.464 -1.246 1.443) 10.637 13.656 ( 17.626 15.607 -19.070) 30.297 19.705 ( 2.748 0.431 -3.327) 4.337 35.069 ( -16.413 -0.594 0.717) 16.440 36.690 ( 2.986 0.008 1.012) 3.153 49.808 ( 11.774 -10.106 31.664) 35.261======================= Grid point 969 (379/781) =======================q-point: (-0.10 0.35 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.257 ( -17.042 2.578 18.032) 24.945 4.573 ( -22.902 -1.666 3.901) 23.291 5.957 ( -14.342 -3.599 1.870) 14.904 6.742 ( -18.785 -2.324 6.294) 19.947 7.289 ( -7.812 6.189 -0.352) 9.973 9.192 ( 9.159 0.849 1.560) 9.329 10.064 ( -9.280 -3.130 0.912) 9.836 13.993 ( 11.819 17.943 -21.333) 30.277 19.743 ( 2.662 0.811 -4.382) 5.191 34.786 ( -14.367 -4.010 0.725) 14.933 36.726 ( -1.629 4.019 1.048) 4.462 50.201 ( 28.518 -9.702 47.533) 56.274======================= Grid point 979 (380/781) =======================q-point: ( 0.40 0.40 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.683 ( -0.000 22.399 3.898) 22.735 4.651 ( -0.000 5.495 26.102) 26.674 5.153 ( 0.000 2.341 -1.589) 2.829 6.541 ( -0.000 33.351 7.238) 34.127 7.240 ( -0.000 12.714 7.777) 14.904 9.640 ( -0.000 2.027 0.115) 2.030 10.100 ( -0.000 -18.058 12.281) 21.839 11.756 ( 0.000 -14.891 -37.564) 40.408 19.536 ( 0.000 -0.942 -2.053) 2.259 34.255 ( -0.000 4.146 0.830) 4.228 36.587 ( -0.000 21.217 0.518) 21.223 56.598 ( -0.000 -108.096 92.987) 142.588======================= Grid point 980 (381/781) =======================q-point: ( 0.45 0.40 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.985 ( 8.966 20.622 3.734) 22.795 4.794 ( 1.070 2.528 23.501) 23.661 5.219 ( 6.264 1.889 -1.873) 6.805 6.876 ( -0.240 30.951 2.938) 31.092 7.369 ( -0.972 10.177 6.153) 11.932 9.644 ( -1.747 -3.379 1.366) 4.041 9.953 ( 2.790 -19.285 9.530) 21.691 11.551 ( 3.358 -5.935 -33.796) 34.477 19.527 ( 0.289 -0.368 -0.894) 1.009 34.339 ( 4.852 4.224 0.709) 6.472 36.777 ( -1.155 18.293 1.279) 18.374 55.779 ( -16.857 -95.228 75.887) 122.928======================= Grid point 981 (382/781) =======================q-point: ( 0.50 0.40 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4004Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.394 ( 14.623 18.433 4.031) 23.872 4.910 ( 1.393 0.117 19.214) 19.265 5.387 ( 12.277 1.878 -1.997) 12.579 7.130 ( -2.924 25.526 -4.548) 26.092 7.463 ( -1.068 8.363 7.724) 11.434 9.460 ( -6.016 -18.397 3.874) 19.739 9.998 ( 10.264 -2.320 4.708) 11.528 11.471 ( 5.260 -2.542 -28.441) 29.035 19.531 ( 0.517 -0.161 0.203) 0.578 34.507 ( 9.420 4.969 0.659) 10.670 36.902 ( -3.431 13.823 1.634) 14.336 54.791 ( -28.493 -80.266 58.643) 103.409======================= Grid point 982 (383/781) =======================q-point: ( 0.55 0.40 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.840 ( 15.701 15.771 4.605) 22.725 4.989 ( 1.503 -1.441 13.902) 14.057 5.647 ( 16.955 2.059 -1.838) 17.178 7.211 ( -7.565 16.414 -12.207) 21.810 7.574 ( -0.063 9.020 9.998) 13.465 9.198 ( -4.930 -17.222 3.052) 18.172 10.235 ( 12.904 5.682 5.375) 15.090 11.441 ( 6.570 -4.011 -24.459) 25.642 19.541 ( 0.660 -0.289 0.997) 1.230 34.753 ( 12.741 6.321 0.609) 14.236 36.937 ( -6.052 8.291 1.612) 10.391 53.733 ( -35.274 -65.102 42.411) 85.330======================= Grid point 983 (384/781) =======================q-point: ( 0.60 0.40 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4004Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.023 ( 0.019 -1.668 10.027) 10.164 5.260 ( 14.701 11.909 3.571) 19.253 5.968 ( 18.821 2.218 -1.536) 19.013 7.137 ( -10.480 11.702 -14.007) 21.047 7.681 ( -0.634 5.798 8.282) 10.130 9.001 ( -2.898 -11.635 2.257) 12.201 10.564 ( 11.354 12.994 8.853) 19.394 11.427 ( 10.093 -8.389 -23.343) 26.779 19.553 ( 0.773 -0.567 1.315) 1.627 35.055 ( 14.192 8.296 0.517) 16.447 36.871 ( -8.361 2.064 1.317) 8.712 52.684 ( -37.705 -50.905 28.291) 69.379======================= Grid point 984 (385/781) =======================q-point: ( 0.65 0.40 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.026 ( -1.169 -2.331 6.819) 7.301 5.585 ( 10.437 8.403 1.563) 13.490 6.288 ( 16.548 1.705 -1.179) 16.677 7.017 ( -10.524 12.349 -11.781) 20.051 7.715 ( -1.844 -0.456 6.094) 6.384 8.888 ( -1.039 -6.403 1.399) 6.636 10.874 ( -0.532 17.814 12.933) 22.020 11.492 ( 22.312 -10.687 -23.711) 34.267 19.566 ( 0.940 -0.768 1.116) 1.649 35.385 ( 13.205 11.094 0.400) 17.252 36.710 ( -9.553 -4.708 0.899) 10.688 51.709 ( -36.188 -38.340 17.286) 55.483======================= Grid point 985 (386/781) =======================q-point: ( 0.70 0.40 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4004Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.991 ( -2.798 -2.509 4.911) 6.184 5.762 ( 2.685 4.006 -1.959) 5.205 6.514 ( 8.047 1.849 -1.117) 8.332 6.986 ( -3.959 15.289 -5.500) 16.723 7.655 ( -2.895 -7.543 3.984) 9.009 8.844 ( 0.385 -2.745 0.419) 2.804 10.933 ( -10.139 8.076 7.036) 14.749 11.838 ( 30.658 1.669 -15.226) 34.272 19.580 ( 1.219 -0.723 0.489) 1.499 35.702 ( 8.036 15.512 0.341) 17.474 36.478 ( -7.483 -12.508 0.498) 14.584 50.870 ( -31.015 -27.774 10.282) 42.884======================= Grid point 986 (387/781) =======================q-point: (-0.25 0.40 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.921 ( -4.811 -2.242 4.342) 6.857 5.731 ( -6.712 -0.039 -4.339) 7.992 6.603 ( -1.188 6.190 1.414) 6.459 7.119 ( 2.265 14.324 -0.945) 14.532 7.509 ( -2.984 -14.099 1.896) 14.536 8.845 ( 1.565 -0.539 -0.461) 1.719 10.807 ( -11.040 0.609 3.072) 11.476 12.367 ( 28.873 11.626 -10.061) 32.711 19.598 ( 1.599 -0.376 -0.392) 1.689 35.880 ( -10.749 16.681 0.429) 19.850 36.299 ( 7.762 -16.219 0.220) 17.982 50.220 ( -22.483 -19.437 7.995) 30.777======================= Grid point 987 (388/781) =======================q-point: (-0.20 0.40 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4004Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.821 ( -7.086 -1.363 5.296) 8.951 5.533 ( -12.926 -2.333 -3.068) 13.489 6.602 ( -8.618 6.961 4.208) 11.850 7.272 ( -2.317 5.926 2.345) 6.781 7.329 ( 1.837 -10.149 -1.665) 10.447 8.881 ( 2.956 0.615 -1.038) 3.193 10.616 ( -10.907 -3.140 1.729) 11.481 12.930 ( 24.937 17.354 -9.203) 31.744 19.624 ( 1.997 0.187 -1.349) 2.417 35.666 ( -18.755 -0.767 0.375) 18.774 36.431 ( 12.238 -0.308 0.444) 12.250 49.810 ( -11.003 -13.523 10.911) 20.567======================= Grid point 988 (389/781) =======================q-point: (-0.15 0.40 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.701 ( -9.361 0.178 8.023) 12.330 5.246 ( -16.444 -3.714 -0.263) 16.861 6.457 ( -14.700 -0.071 4.547) 15.387 7.123 ( -3.850 -10.528 2.080) 11.401 7.421 ( -0.610 10.679 -0.439) 10.705 8.950 ( 4.944 0.946 -1.086) 5.149 10.401 ( -10.365 -5.078 1.155) 11.600 13.456 ( 19.822 20.453 -11.040) 30.547 19.658 ( 2.272 0.788 -2.264) 3.303 35.321 ( -17.047 -7.038 0.419) 18.447 36.630 ( 7.343 5.500 0.860) 9.214 49.681 ( 2.853 -10.241 19.211) 21.956======================= Grid point 989 (390/781) =======================q-point: (-0.10 0.40 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4004Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.577 ( -11.177 2.284 12.642) 17.028 4.912 ( -18.917 -4.380 2.101) 19.530 6.162 ( -15.909 -8.747 3.142) 18.425 6.972 ( -8.785 -2.246 4.460) 10.105 7.479 ( -4.832 10.687 -0.200) 11.730 9.059 ( 7.466 0.529 -0.307) 7.491 10.184 ( -9.457 -5.793 0.799) 11.119 13.897 ( 13.896 21.337 -15.066) 29.586 19.697 ( 2.288 1.227 -3.103) 4.046 34.975 ( -14.770 -8.717 0.522) 17.158 36.781 ( 2.371 7.779 1.274) 8.231 49.860 ( 18.411 -9.844 32.708) 38.803======================= Grid point 1000 (391/781) =======================q-point: ( 0.45 0.45 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2110Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.113 ( -0.000 19.092 3.007) 19.327 4.886 ( -0.000 0.069 22.013) 22.013 5.169 ( 0.000 0.515 -1.802) 1.874 7.176 ( -0.000 28.352 -1.466) 28.390 7.491 ( -0.000 8.714 5.318) 10.209 9.673 ( -0.000 1.353 0.099) 1.357 9.693 ( -0.000 -29.229 7.903) 30.278 11.396 ( 0.000 1.352 -25.246) 25.282 19.522 ( -0.000 0.072 0.185) 0.199 34.334 ( -0.000 3.391 0.476) 3.424 36.967 ( -0.000 16.716 1.629) 16.795 55.290 ( -0.000 -86.452 60.662) 105.612======================= Grid point 1001 (392/781) =======================q-point: ( 0.50 0.45 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.377 ( 8.742 17.017 2.795) 19.334 4.960 ( 0.494 -1.988 19.082) 19.191 5.221 ( 6.984 -0.303 -1.874) 7.238 7.379 ( -2.435 20.217 -10.665) 22.987 7.598 ( -0.711 10.493 9.249) 14.006 9.377 ( -5.446 -23.320 4.663) 24.398 9.791 ( 10.599 -1.822 1.348) 10.839 11.352 ( 0.547 3.850 -17.141) 17.577 19.528 ( 0.160 0.202 1.150) 1.178 34.416 ( 5.767 3.221 0.340) 6.614 37.100 ( -2.797 13.460 1.653) 13.846 54.587 ( -13.630 -74.437 44.844) 87.964======================= Grid point 1002 (393/781) =======================q-point: ( 0.55 0.45 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.738 ( 14.125 14.010 2.761) 20.085 5.008 ( 0.605 -3.167 14.955) 15.299 5.384 ( 13.715 -0.526 -1.822) 13.846 7.407 ( -5.425 11.113 -14.912) 19.373 7.732 ( -1.728 12.131 9.052) 15.235 9.112 ( -3.707 -17.904 3.975) 18.711 10.015 ( 16.139 0.705 1.438) 16.218 11.337 ( -0.720 3.460 -10.477) 11.057 19.538 ( 0.198 0.037 1.821) 1.832 34.593 ( 11.197 3.477 0.234) 11.726 37.140 ( -6.363 9.192 1.391) 11.266 53.751 ( -23.523 -61.065 29.590) 71.818======================= Grid point 1003 (394/781) =======================q-point: ( 0.60 0.45 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.031 ( 0.840 -3.556 10.000) 10.646 5.118 ( 14.929 9.434 2.785) 17.879 5.654 ( 18.805 0.490 -1.457) 18.867 7.330 ( -7.428 8.223 -15.371) 18.949 7.819 ( -3.536 7.932 7.032) 11.175 8.938 ( -1.863 -11.450 3.514) 12.121 10.360 ( 21.833 3.572 0.947) 22.144 11.306 ( -3.149 2.332 -4.526) 5.986 19.548 ( 0.194 -0.259 2.081) 2.106 34.856 ( 15.463 3.967 0.101) 15.964 37.072 ( -10.071 4.528 0.950) 11.083 52.855 ( -29.599 -47.789 16.024) 58.452======================= Grid point 1004 (395/781) =======================q-point: ( 0.65 0.45 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.033 ( -0.003 -3.732 6.857) 7.807 5.438 ( 13.937 4.303 -0.083) 14.586 5.996 ( 19.814 2.058 -0.042) 19.921 7.221 ( -7.716 8.323 -13.725) 17.810 7.815 ( -5.637 1.918 5.509) 8.112 8.847 ( -0.465 -6.088 2.675) 6.666 10.817 ( 27.661 4.073 -3.419) 28.167 11.244 ( -7.068 3.986 3.939) 9.020 19.556 ( 0.257 -0.470 1.912) 1.986 35.183 ( 18.139 4.436 -0.069) 18.673 36.898 ( -13.477 0.110 0.472) 13.486 51.967 ( -31.902 -35.611 5.197) 48.093======================= Grid point 1005 (396/781) =======================q-point: ( 0.70 0.45 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.011 ( -0.896 -3.514 4.169) 5.525 5.657 ( 9.998 -0.233 -3.366) 10.552 6.332 ( 16.085 2.830 1.748) 16.426 7.154 ( -4.614 9.843 -9.899) 14.702 7.707 ( -7.791 -4.529 4.092) 9.897 8.816 ( 0.412 -2.301 1.627) 2.848 11.071 ( 2.956 -10.430 -10.457) 15.063 11.439 ( 17.850 21.007 13.504) 30.696 19.563 ( 0.469 -0.421 1.393) 1.529 35.542 ( 19.209 4.282 -0.224) 19.682 36.631 ( -16.355 -3.122 0.092) 16.650 51.148 ( -30.484 -25.186 -1.955) 39.591======================= Grid point 1006 (397/781) =======================q-point: (-0.25 -0.55 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.967 ( -2.022 -2.987 2.589) 4.440 5.727 ( 2.445 -4.028 -5.495) 7.238 6.592 ( 9.733 4.218 3.026) 11.031 7.199 ( 1.385 10.477 -5.051) 11.713 7.499 ( -9.343 -10.483 2.366) 14.240 8.822 ( 0.934 0.028 0.680) 1.156 10.921 ( -5.170 -8.727 -2.909) 10.552 12.057 ( 24.374 21.706 6.632) 33.305 19.576 ( 0.839 -0.055 0.661) 1.069 35.893 ( 18.995 -0.535 -0.275) 19.004 36.305 ( -18.672 -0.859 -0.094) 18.692 50.455 ( -25.441 -16.928 -4.678) 30.914======================= Grid point 1007 (398/781) =======================q-point: (-0.20 0.45 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.907 ( -3.277 -2.057 2.381) 4.543 5.627 ( -5.149 -6.637 -4.759) 9.655 6.768 ( 2.146 7.447 4.390) 8.907 7.192 ( -6.675 -17.516 0.661) 18.757 7.366 ( 2.814 10.598 -2.296) 11.203 8.849 ( 1.485 1.135 -0.061) 1.870 10.720 ( -7.486 -9.003 -0.660) 11.727 12.704 ( 23.489 23.767 2.945) 33.545 19.597 ( 1.285 0.548 -0.141) 1.404 35.866 ( -10.691 -17.878 -0.117) 20.831 36.290 ( 8.158 14.936 -0.091) 17.018 49.943 ( -17.001 -11.115 -2.482) 20.463======================= Grid point 1008 (399/781) =======================q-point: (-0.15 0.45 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.838 ( -4.557 -0.705 3.728) 5.930 5.410 ( -10.099 -8.002 -2.216) 13.074 6.717 ( -16.176 -4.794 5.374) 17.707 7.009 ( 5.180 -8.219 -0.956) 9.762 7.520 ( 2.372 10.837 -0.564) 11.108 8.894 ( 2.566 1.270 -0.599) 2.925 10.496 ( -8.410 -9.073 0.239) 12.373 13.313 ( 20.035 24.701 -1.651) 31.847 19.628 ( 1.657 1.200 -0.913) 2.240 35.483 ( -14.235 -15.278 0.057) 20.882 36.574 ( 8.873 11.868 0.276) 14.821 49.661 ( -5.612 -7.947 4.753) 10.828======================= Grid point 1009 (400/781) =======================q-point: (-0.10 0.45 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.772 ( -5.659 1.046 6.679) 8.816 5.128 ( -13.289 -8.149 0.402) 15.594 6.334 ( -16.468 -15.604 2.902) 22.871 7.049 ( 0.152 2.295 1.815) 2.930 7.636 ( -0.985 10.343 0.244) 10.393 8.959 ( 4.534 0.640 -0.846) 4.657 10.268 ( -8.389 -8.508 0.497) 11.959 13.830 ( 14.892 23.990 -7.790) 29.292 19.667 ( 1.795 1.680 -1.613) 2.941 35.107 ( -13.420 -13.697 0.269) 19.177 36.809 ( 5.489 10.894 0.828) 12.227 49.645 ( 8.047 -7.593 16.688) 20.023======================= Grid point 1021 (401/781) =======================q-point: ( 0.50 0.50 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.468 ( -0.000 15.364 2.071) 15.503 4.997 ( -0.000 -4.019 17.739) 18.189 5.142 ( 0.000 -1.826 -1.814) 2.574 7.499 ( 0.000 10.856 -15.006) 18.521 7.766 ( -0.000 14.291 8.771) 16.768 9.207 ( -0.000 -23.492 5.194) 24.060 9.695 ( -0.000 0.786 0.275) 0.833 11.357 ( 0.000 6.268 -7.608) 9.858 19.536 ( -0.000 0.295 1.986) 2.008 34.393 ( -0.000 2.357 0.136) 2.361 37.252 ( -0.000 11.168 1.394) 11.255 54.161 ( -0.000 -65.026 30.118) 71.662======================= Grid point 1022 (402/781) =======================q-point: ( 0.55 0.50 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.685 ( 8.057 12.710 1.613) 15.135 5.016 ( 0.349 -5.257 14.697) 15.613 5.178 ( 7.771 -2.626 -1.425) 8.326 7.499 ( -2.559 6.803 -16.069) 17.637 7.912 ( -1.577 11.807 5.997) 13.337 9.008 ( -1.866 -16.579 5.357) 17.522 9.790 ( 10.004 0.205 0.311) 10.011 11.396 ( -1.543 6.721 0.384) 6.906 19.547 ( -0.028 0.141 2.582) 2.586 34.468 ( 6.399 1.955 -0.013) 6.691 37.317 ( -3.909 7.766 0.923) 8.743 53.571 ( -11.406 -53.563 15.611) 56.945======================= Grid point 1023 (403/781) =======================q-point: ( 0.60 0.50 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4004Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.960 ( 10.624 6.095 0.440) 12.256 5.026 ( 2.192 -4.385 11.060) 12.098 5.352 ( 15.715 -1.025 -0.721) 15.765 7.435 ( -4.563 5.631 -16.341) 17.876 7.979 ( -3.637 6.790 4.446) 8.894 8.874 ( -1.139 -9.863 5.161) 11.189 10.027 ( 17.764 0.142 -1.037) 17.795 11.434 ( -3.896 7.210 8.154) 11.560 19.556 ( -0.149 -0.114 2.856) 2.863 34.644 ( 12.311 1.682 -0.175) 12.427 37.275 ( -8.163 4.005 0.356) 9.099 52.874 ( -20.031 -41.486 2.445) 46.134======================= Grid point 1024 (404/781) =======================q-point: ( 0.65 0.50 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.004 ( 0.993 -5.412 5.884) 8.056 5.225 ( 13.201 0.276 -0.557) 13.216 5.672 ( 20.634 2.081 0.803) 20.754 7.342 ( -5.431 5.555 -15.237) 17.103 7.953 ( -6.051 1.251 3.697) 7.200 8.812 ( -0.219 -4.655 4.282) 6.329 10.363 ( 23.076 -1.227 -5.247) 23.697 11.480 ( -5.443 10.066 17.023) 20.512 19.561 ( -0.230 -0.269 2.798) 2.820 34.906 ( 16.941 1.153 -0.378) 16.984 37.126 ( -12.167 0.676 -0.178) 12.187 52.127 ( -25.537 -29.972 -8.309) 40.243======================= Grid point 1025 (405/781) =======================q-point: (-0.30 -0.50 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4004Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.983 ( 0.728 -5.250 2.747) 5.970 5.423 ( 13.075 -3.948 -3.350) 14.062 6.053 ( 20.345 2.441 2.105) 20.599 7.260 ( -4.097 5.876 -12.607) 14.500 7.826 ( -8.816 -4.172 3.153) 10.250 8.802 ( 0.318 -0.883 3.065) 3.206 10.675 ( 19.838 -7.009 -10.890) 23.691 11.631 ( -0.204 18.021 25.285) 31.050 19.566 ( -0.154 -0.164 2.457) 2.468 35.220 ( 19.691 -0.402 -0.588) 19.704 36.887 ( -15.329 -1.094 -0.560) 15.378 51.386 ( -27.677 -19.897 -15.682) 37.521======================= Grid point 1026 (406/781) =======================q-point: (-0.25 -0.50 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.949 ( 0.380 -4.705 0.165) 4.723 5.546 ( 9.340 -7.265 -5.131) 12.898 6.396 ( 16.869 1.175 2.299) 17.066 7.244 ( 0.245 6.609 -8.382) 10.677 7.601 ( -11.519 -8.722 2.318) 14.634 8.822 ( 0.406 1.495 1.942) 2.484 10.769 ( 7.300 -11.570 -8.392) 16.049 12.043 ( 12.217 24.739 23.030) 35.939 19.574 ( 0.121 0.253 1.924) 1.944 35.529 ( 19.211 -5.215 -0.707) 19.919 36.609 ( -16.129 1.207 -0.735) 16.191 50.707 ( -26.275 -11.874 -18.868) 34.458======================= Grid point 1027 (407/781) =======================q-point: (-0.20 -0.50 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4004Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.908 ( 0.003 -3.832 -1.277) 4.040 5.544 ( 2.767 -10.217 -5.055) 11.730 6.656 ( 13.263 -1.153 0.414) 13.319 7.260 ( -11.589 -7.533 4.431) 14.515 7.372 ( 2.582 3.836 -6.194) 7.730 8.854 ( 0.267 2.575 1.083) 2.806 10.677 ( -0.780 -12.162 -3.624) 12.714 12.636 ( 18.092 26.828 15.912) 36.060 19.591 ( 0.540 0.900 1.293) 1.665 35.677 ( 8.093 -16.530 -0.587) 18.414 36.445 ( -6.880 11.004 -0.748) 12.999 50.145 ( -21.300 -6.287 -17.327) 28.168======================= Grid point 1028 (408/781) =======================q-point: (-0.15 -0.50 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.868 ( -0.358 -2.637 -1.318) 2.970 5.413 ( -3.124 -12.006 -2.999) 12.763 6.765 ( 2.464 -17.906 -3.082) 18.335 6.978 ( -8.279 2.756 4.827) 9.972 7.529 ( 6.770 7.695 -2.178) 10.478 8.887 ( 0.327 2.609 0.463) 2.670 10.503 ( -4.594 -11.717 -1.041) 12.629 13.256 ( 18.043 26.903 8.367) 33.457 19.619 ( 0.960 1.586 0.639) 1.961 35.485 ( -6.359 -19.867 -0.301) 20.862 36.579 ( 5.425 13.896 -0.521) 14.927 49.752 ( -12.971 -3.352 -10.914) 17.280======================= Grid point 1029 (409/781) =======================q-point: (-0.10 0.50 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2012Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.838 ( -0.658 -1.139 -0.000) 1.315 5.201 ( -6.970 -12.072 0.000) 13.939 6.408 ( -12.733 -22.054 -0.000) 25.466 7.056 ( 3.470 6.011 -0.000) 6.941 7.697 ( 4.398 7.617 -0.000) 8.796 8.921 ( 1.079 1.870 -0.000) 2.159 10.299 ( -6.127 -10.612 -0.000) 12.254 13.806 ( 14.622 25.326 0.000) 29.244 19.657 ( 1.205 2.087 -0.000) 2.409 35.155 ( -10.021 -17.358 -0.000) 20.043 36.817 ( 6.931 12.005 -0.000) 13.862 49.572 ( -1.824 -3.160 -0.000) 3.649======================= Grid point 1043 (410/781) =======================q-point: ( 0.55 0.55 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2110Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.735 ( -0.000 10.472 0.683) 10.495 5.007 ( -0.000 -7.011 13.414) 15.135 5.073 ( 0.000 -3.690 -1.223) 3.887 7.514 ( 0.000 5.046 -16.894) 17.631 8.042 ( -0.000 8.051 3.383) 8.733 8.903 ( -0.000 -12.273 6.509) 13.892 9.709 ( -0.000 0.320 0.543) 0.631 11.500 ( -0.000 7.726 8.919) 11.800 19.559 ( -0.000 0.047 3.188) 3.188 34.427 ( 0.000 1.125 -0.182) 1.140 37.417 ( -0.000 4.992 0.302) 5.001 53.224 ( 0.000 -43.713 1.589) 43.742======================= Grid point 1044 (411/781) =======================q-point: ( 0.60 0.55 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.867 ( 5.905 3.948 -1.186) 7.202 4.984 ( 0.790 -7.680 10.311) 12.881 5.122 ( 9.532 -1.063 0.382) 9.599 7.476 ( -2.143 4.464 -17.286) 17.981 8.090 ( -2.031 3.226 2.055) 4.331 8.829 ( -0.552 -6.942 6.670) 9.643 9.793 ( 9.342 -0.088 0.058) 9.342 11.610 ( -2.018 8.423 16.746) 18.854 19.570 ( -0.197 -0.113 3.575) 3.582 34.490 ( 6.700 0.518 -0.345) 6.729 37.412 ( -4.450 1.741 -0.347) 4.791 52.746 ( -9.901 -32.780 -11.371) 36.081======================= Grid point 1045 (412/781) =======================q-point: (-0.35 -0.45 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.936 ( 2.432 -6.581 2.076) 7.317 5.012 ( 8.893 -5.175 1.306) 10.371 5.373 ( 17.452 2.845 1.583) 17.753 7.401 ( -3.530 3.703 -16.880) 17.638 8.052 ( -4.369 -1.644 1.802) 5.003 8.802 ( -0.291 -2.179 5.835) 6.236 10.004 ( 16.176 -1.037 -2.197) 16.357 11.731 ( -3.190 10.275 24.373) 26.642 19.578 ( -0.419 -0.163 3.716) 3.743 34.655 ( 12.638 -0.274 -0.553) 12.653 37.300 ( -8.716 -1.182 -0.892) 8.841 52.180 ( -17.693 -21.964 -22.200) 35.893======================= Grid point 1046 (413/781) =======================q-point: (-0.30 -0.45 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.904 ( 1.984 -7.620 0.485) 7.889 5.135 ( 12.721 -7.563 -2.757) 15.054 5.733 ( 20.564 2.251 2.097) 20.792 7.310 ( -3.217 2.498 -15.359) 15.890 7.924 ( -7.162 -6.267 2.018) 9.729 8.817 ( -0.097 1.605 4.408) 4.692 10.267 ( 18.164 -3.657 -5.639) 19.367 11.912 ( -1.265 14.613 30.729) 34.050 19.583 ( -0.520 0.034 3.618) 3.655 34.895 ( 16.854 -1.821 -0.795) 16.970 37.098 ( -12.047 -2.844 -1.236) 12.439 51.569 ( -22.859 -12.296 -29.902) 39.596======================= Grid point 1047 (414/781) =======================q-point: (-0.25 -0.45 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.863 ( 2.345 -7.370 -2.809) 8.228 5.254 ( 12.644 -10.076 -4.487) 16.779 6.096 ( 19.596 -0.209 1.917) 19.691 7.245 ( 0.069 1.922 -12.556) 12.703 7.706 ( -10.118 -9.963 2.280) 14.382 8.856 ( -0.301 4.008 2.972) 4.999 10.459 ( 13.273 -7.871 -6.893) 16.901 12.234 ( 5.258 20.671 32.001) 38.458 19.590 ( -0.415 0.516 3.314) 3.379 35.159 ( 18.036 -5.227 -0.987) 18.804 36.851 ( -13.172 -1.855 -1.345) 13.370 50.960 ( -24.940 -4.564 -33.613) 42.103======================= Grid point 1048 (415/781) =======================q-point: (-0.20 -0.45 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.821 ( 2.775 -6.697 -5.402) 9.041 5.310 ( 8.968 -12.866 -4.928) 16.439 6.378 ( 15.548 -4.466 -0.090) 16.177 7.276 ( 6.214 2.314 -8.884) 11.086 7.418 ( -12.445 -10.878 3.063) 16.811 8.901 ( -0.830 5.023 1.872) 5.424 10.501 ( 5.612 -10.955 -4.636) 13.153 12.721 ( 12.056 24.943 26.666) 38.452 19.605 ( -0.118 1.199 2.847) 3.092 35.349 ( 13.257 -11.930 -0.976) 17.861 36.652 ( -9.061 3.408 -1.294) 9.767 50.402 ( -23.594 0.716 -32.709) 40.337======================= Grid point 1049 (416/781) =======================q-point: (-0.15 -0.45 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.788 ( 3.265 -5.668 -6.725) 9.382 5.263 ( 3.671 -15.144 -3.482) 15.967 6.502 ( 8.342 -12.913 -3.311) 15.726 7.131 ( -9.246 -6.985 1.328) 11.664 7.433 ( 9.651 4.271 -2.857) 10.934 8.937 ( -1.419 4.982 1.179) 5.313 10.419 ( -0.081 -11.994 -1.986) 12.157 13.289 ( 14.740 26.159 17.940) 34.977 19.632 ( 0.263 1.898 2.266) 2.968 35.327 ( 2.149 -18.251 -0.670) 18.389 36.641 ( 0.858 9.338 -1.170) 9.450 49.947 ( -18.722 3.302 -26.958) 32.988======================= Grid point 1064 (417/781) =======================q-point: (-0.40 -0.40 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.816 ( 0.000 -3.471 -2.684) 4.388 4.928 ( -0.000 -9.626 8.113) 12.589 5.048 ( -0.000 3.098 1.456) 3.423 7.465 ( 0.000 3.507 -18.195) 18.530 8.123 ( -0.000 -0.988 0.750) 1.241 8.810 ( -0.000 -3.119 7.219) 7.864 9.716 ( -0.000 -0.126 0.753) 0.764 11.789 ( -0.000 8.849 24.284) 25.846 19.586 ( -0.000 -0.148 4.171) 4.173 34.433 ( 0.000 -0.217 -0.484) 0.530 37.450 ( 0.000 -1.200 -1.011) 1.569 52.490 ( 0.000 -22.711 -24.353) 33.299======================= Grid point 1065 (418/781) =======================q-point: (-0.35 -0.40 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.787 ( 5.006 -8.178 -3.644) 10.257 4.865 ( 1.663 -10.829 4.655) 11.904 5.179 ( 9.757 4.223 1.711) 10.769 7.404 ( -1.762 1.402 -18.663) 18.798 8.078 ( -2.151 -5.170 0.652) 5.638 8.825 ( -0.263 1.263 6.503) 6.629 9.786 ( 8.206 -0.602 0.012) 8.228 11.972 ( -1.281 9.786 31.197) 32.721 19.599 ( -0.311 -0.077 4.587) 4.598 34.482 ( 6.649 -0.983 -0.661) 6.754 37.382 ( -4.415 -3.976 -1.507) 6.129 52.128 ( -8.978 -12.429 -35.447) 38.621======================= Grid point 1066 (419/781) =======================q-point: (-0.30 -0.40 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4004Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.769 ( 3.634 -10.052 -3.588) 11.275 4.843 ( 9.111 -11.728 -0.834) 14.875 5.446 ( 16.460 2.527 1.829) 16.753 7.297 ( -2.181 -1.691 -17.987) 18.198 7.955 ( -4.663 -9.106 1.158) 10.296 8.872 ( -0.570 5.071 4.848) 7.038 9.959 ( 13.307 -1.832 -2.097) 13.596 12.187 ( -0.679 12.225 36.686) 38.675 19.609 ( -0.578 0.212 4.776) 4.815 34.625 ( 12.148 -2.229 -0.893) 12.383 37.221 ( -8.034 -5.783 -1.747) 10.052 51.686 ( -16.366 -3.049 -43.643) 46.710======================= Grid point 1067 (420/781) =======================q-point: (-0.25 -0.40 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.706 ( 3.678 -10.737 -6.229) 12.947 4.907 ( 12.891 -13.020 -3.866) 18.725 5.770 ( 18.998 -0.243 1.736) 19.079 7.179 ( 0.043 -4.321 -15.914) 16.490 7.755 ( -7.344 -12.057 1.704) 14.220 8.934 ( -1.115 7.247 3.046) 7.940 10.150 ( 13.344 -4.461 -4.014) 14.631 12.484 ( 2.789 16.381 38.596) 42.021 19.621 ( -0.679 0.745 4.710) 4.817 34.824 ( 15.230 -4.611 -1.122) 15.952 37.002 ( -9.827 -5.679 -1.724) 11.480 51.196 ( -21.481 4.470 -48.008) 52.785======================= Grid point 1068 (421/781) =======================q-point: (-0.20 -0.40 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4004Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.644 ( 4.890 -10.518 -9.659) 15.094 4.971 ( 12.398 -15.135 -4.917) 20.173 6.061 ( 16.710 -4.420 0.549) 17.293 7.117 ( 5.404 -6.015 -12.605) 14.976 7.500 ( -8.939 -12.091 2.332) 15.217 8.993 ( -1.807 7.911 1.623) 8.276 10.266 ( 8.965 -7.847 -3.875) 12.529 12.896 ( 7.891 20.686 34.882) 41.315 19.638 ( -0.577 1.438 4.388) 4.654 35.010 ( 14.072 -8.967 -1.209) 16.730 36.796 ( -8.071 -2.641 -1.548) 8.632 50.698 ( -23.666 9.462 -47.796) 54.167======================= Grid point 1069 (422/781) =======================q-point: (-0.15 -0.40 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.597 ( 6.259 -9.732 -11.992) 16.665 4.978 ( 9.149 -17.462 -4.370) 20.192 6.220 ( 10.332 -10.623 -2.038) 14.959 7.091 ( 2.512 -12.902 -6.953) 14.870 7.333 ( 1.670 -1.853 1.145) 2.745 9.037 ( -2.576 7.598 0.710) 8.055 10.269 ( 3.609 -10.311 -2.243) 11.152 13.395 ( 11.395 23.019 26.303) 36.764 19.664 ( -0.333 2.122 3.835) 4.395 35.078 ( 7.449 -14.534 -0.984) 16.362 36.703 ( -1.503 2.631 -1.405) 3.340 50.236 ( -22.446 11.629 -42.624) 49.557======================= Grid point 1085 (423/781) =======================q-point: (-0.35 -0.35 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2110Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.630 ( 0.000 -11.681 -3.177) 12.105 4.747 ( -0.000 -12.773 0.886) 12.804 5.145 ( -0.000 4.076 1.331) 4.288 7.341 ( 0.000 -2.378 -19.954) 20.095 8.031 ( -0.000 -8.672 0.499) 8.687 8.884 ( -0.000 5.562 5.652) 7.930 9.714 ( -0.000 -0.653 0.760) 1.002 12.206 ( -0.000 9.636 37.495) 38.714 19.620 ( -0.000 0.097 5.315) 5.316 34.411 ( 0.000 -1.566 -0.781) 1.750 37.360 ( 0.000 -6.755 -1.884) 7.012 51.973 ( 0.000 -2.418 -47.036) 47.098======================= Grid point 1086 (424/781) =======================q-point: (-0.30 -0.35 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.543 ( 5.703 -13.472 -4.050) 15.179 4.626 ( 2.110 -14.519 -3.207) 15.018 5.260 ( 8.917 2.502 1.237) 9.344 7.209 ( -0.952 -7.088 -19.771) 21.025 7.914 ( -2.254 -11.886 0.794) 12.124 8.970 ( -0.751 9.124 3.619) 9.844 9.769 ( 6.979 -1.139 -0.078) 7.071 12.454 ( -0.024 10.569 42.410) 43.707 19.641 ( -0.368 0.443 5.802) 5.831 34.443 ( 6.260 -2.428 -0.961) 6.782 37.242 ( -3.846 -8.775 -1.944) 9.776 51.726 ( -8.585 6.906 -55.956) 57.031======================= Grid point 1087 (425/781) =======================q-point: (-0.25 -0.35 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.486 ( 4.503 -14.132 -9.553) 17.642 4.552 ( 10.126 -16.264 -3.622) 19.498 5.484 ( 14.974 0.095 1.312) 15.031 7.037 ( 0.218 -11.239 -17.856) 21.100 7.731 ( -4.568 -14.308 1.000) 15.053 9.055 ( -1.768 10.517 1.537) 10.775 9.903 ( 10.483 -2.366 -1.790) 10.895 12.746 ( 1.855 12.964 44.291) 46.186 19.662 ( -0.652 0.980 5.968) 6.083 34.556 ( 10.917 -4.006 -1.175) 11.688 37.058 ( -6.272 -9.312 -1.705) 11.356 51.398 ( -16.000 14.425 -61.209) 64.889======================= Grid point 1088 (426/781) =======================q-point: (-0.20 -0.35 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.383 ( 5.923 -14.878 -13.835) 21.162 4.577 ( 13.086 -17.364 -4.786) 22.264 5.745 ( 16.260 -3.361 0.953) 16.631 6.886 ( 4.345 -13.970 -14.481) 20.585 7.500 ( -5.927 -14.759 1.041) 15.939 9.123 ( -2.541 10.345 -0.016) 10.652 10.034 ( 9.456 -4.864 -2.696) 10.970 13.111 ( 5.340 16.208 41.309) 44.695 19.684 ( -0.773 1.639 5.771) 6.049 34.702 ( 12.473 -6.856 -1.309) 14.293 36.859 ( -6.068 -7.625 -1.318) 9.834 51.011 ( -21.344 19.273 -61.872) 68.229======================= Grid point 1089 (427/781) =======================q-point: (-0.15 -0.35 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.300 ( 8.328 -14.542 -16.905) 23.804 4.597 ( 12.290 -19.188 -5.059) 23.341 5.934 ( 11.886 -8.407 -0.551) 14.569 6.808 ( 8.679 -16.570 -9.852) 21.141 7.294 ( -2.365 -10.403 0.802) 10.698 9.170 ( -3.187 9.491 -1.038) 10.066 10.092 ( 5.726 -7.741 -2.081) 9.851 13.545 ( 8.595 18.718 33.136) 39.015 19.712 ( -0.737 2.276 5.222) 5.744 34.803 ( 9.580 -11.031 -1.180) 14.658 36.725 ( -2.054 -3.608 -1.049) 4.282 50.596 ( -23.745 21.043 -57.314) 65.510======================= Grid point 1106 (428/781) =======================q-point: (-0.30 -0.30 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.333 ( 0.000 -16.202 -3.180) 16.511 4.435 ( 0.000 -16.719 -8.192) 18.618 5.209 ( -0.000 1.645 0.785) 1.823 7.042 ( 0.000 -12.929 -19.883) 23.717 7.808 ( 0.000 -14.393 0.623) 14.406 9.093 ( -0.000 12.390 1.014) 12.432 9.700 ( -0.000 -1.324 0.480) 1.409 12.722 ( -0.000 9.945 46.864) 47.908 19.674 ( -0.000 0.788 6.560) 6.607 34.361 ( 0.000 -2.811 -1.069) 3.008 37.169 ( 0.000 -11.104 -1.746) 11.241 51.681 ( 0.000 16.412 -65.878) 67.892======================= Grid point 1107 (429/781) =======================q-point: (-0.25 -0.30 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.207 ( 5.821 -17.589 -5.006) 19.192 4.245 ( 3.085 -18.837 -11.705) 22.391 5.292 ( 8.157 0.030 0.706) 8.188 6.819 ( 0.464 -17.972 -18.164) 25.557 7.640 ( -2.156 -16.456 0.365) 16.601 9.203 ( -1.839 13.077 -1.380) 13.278 9.740 ( 5.994 -1.688 -0.463) 6.244 13.011 ( 1.151 10.618 48.571) 49.732 19.706 ( -0.392 1.272 6.934) 7.060 34.374 ( 5.579 -3.687 -1.226) 6.799 37.023 ( -2.839 -12.185 -1.192) 12.568 51.542 ( -8.697 24.209 -72.359) 76.796======================= Grid point 1108 (430/781) =======================q-point: (-0.20 -0.30 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4004Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.059 ( 5.349 -19.126 -17.999) 26.803 4.171 ( 11.317 -19.595 -4.230) 23.020 5.469 ( 13.142 -2.407 0.741) 13.381 6.591 ( 3.399 -21.392 -15.012) 26.354 7.425 ( -3.576 -17.432 0.053) 17.795 9.274 ( -3.010 11.711 -2.668) 12.383 9.840 ( 8.027 -2.728 -1.840) 8.676 13.342 ( 3.548 12.367 45.904) 47.673 19.738 ( -0.703 1.848 6.857) 7.137 34.454 ( 9.137 -5.414 -1.353) 10.706 36.844 ( -3.744 -11.463 -0.479) 12.069 51.309 ( -16.515 29.184 -74.261) 81.481======================= Grid point 1109 (431/781) =======================q-point: (-0.15 -0.30 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.914 ( 8.832 -19.390 -21.454) 30.236 4.167 ( 13.103 -20.772 -4.845) 25.033 5.656 ( 12.479 -6.234 0.220) 13.951 6.426 ( 8.806 -22.933 -10.754) 26.816 7.205 ( -2.132 -15.806 -0.238) 15.951 9.314 ( -3.399 10.093 -3.390) 11.176 9.919 ( 6.297 -5.033 -2.004) 8.307 13.716 ( 6.276 14.235 38.107) 41.161 19.771 ( -0.896 2.406 6.325) 6.826 34.544 ( 9.258 -8.247 -1.282) 12.465 36.694 ( -1.666 -8.625 0.038) 8.784 50.996 ( -22.242 30.710 -70.556) 80.100======================= Grid point 1127 (432/781) =======================q-point: (-0.25 -0.25 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2110Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.955 ( 0.000 -20.161 -3.122) 20.401 3.969 ( 0.000 -21.013 -17.871) 27.585 5.221 ( -0.000 -0.705 0.299) 0.766 6.543 ( 0.000 -23.704 -16.868) 29.093 7.489 ( 0.000 -18.392 -0.213) 18.393 9.345 ( 0.000 14.130 -4.525) 14.837 9.668 ( 0.000 -2.112 -0.066) 2.113 13.286 ( -0.000 9.485 50.244) 51.131 19.751 ( -0.000 1.655 7.481) 7.661 34.287 ( 0.000 -3.832 -1.320) 4.053 36.915 ( 0.000 -13.858 -0.225) 13.860 51.602 ( 0.000 32.496 -80.437) 86.754======================= Grid point 1128 (433/781) =======================q-point: (-0.20 -0.25 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.705 ( 3.218 -22.631 -22.262) 31.908 3.798 ( 6.865 -21.741 -3.378) 23.048 5.274 ( 7.343 -2.115 0.229) 7.645 6.247 ( 2.235 -27.828 -14.279) 31.357 7.286 ( -1.625 -19.752 -0.668) 19.830 9.426 ( -3.075 11.902 -5.522) 13.476 9.698 ( 5.452 -1.710 -1.425) 5.889 13.581 ( 1.885 9.489 47.907) 48.874 19.795 ( -0.421 2.114 7.527) 7.829 34.283 ( 4.696 -4.626 -1.413) 6.741 36.765 ( -1.553 -13.942 0.955) 14.060 51.555 ( -9.242 37.925 -84.102) 92.719======================= Grid point 1129 (434/781) =======================q-point: (-0.15 -0.25 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.477 ( 7.361 -23.386 -25.437) 35.329 3.727 ( 11.627 -22.717 -3.953) 25.824 5.405 ( 10.824 -4.581 0.188) 11.754 5.992 ( 7.221 -29.690 -10.708) 32.378 7.060 ( -1.423 -19.639 -0.935) 19.713 9.448 ( -3.387 8.900 -5.204) 10.852 9.773 ( 5.683 -2.164 -2.571) 6.602 13.897 ( 4.181 10.142 40.639) 42.094 19.835 ( -0.806 2.573 7.046) 7.544 34.329 ( 7.100 -6.276 -1.362) 9.574 36.617 ( -0.914 -12.138 1.882) 12.317 51.388 ( -17.656 39.516 -81.761) 92.510======================= Grid point 1148 (435/781) =======================q-point: (-0.20 -0.20 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.351 ( 0.000 -24.973 -26.053) 36.089 3.505 ( 0.000 -23.654 -2.899) 23.831 5.189 ( 0.000 -2.548 -0.132) 2.552 5.878 ( 0.000 -32.838 -12.449) 35.118 7.094 ( 0.000 -21.511 -1.146) 21.542 9.554 ( 0.000 12.165 -8.192) 14.666 9.617 ( 0.000 -2.890 -0.760) 2.989 13.827 ( -0.000 7.661 46.241) 46.871 19.850 ( -0.000 2.450 7.688) 8.069 34.194 ( 0.000 -4.512 -1.487) 4.750 36.642 ( -0.000 -14.845 2.730) 15.094 51.703 ( 0.000 44.009 -89.987) 100.172======================= Grid point 1149 (436/781) =======================q-point: (-0.15 -0.20 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.031 ( 4.271 -26.268 -28.524) 39.012 3.320 ( 7.227 -24.855 -2.984) 26.056 5.216 ( 6.326 -3.816 -0.219) 7.391 5.534 ( 4.511 -35.707 -9.724) 37.282 6.868 ( -0.614 -22.280 -1.360) 22.330 9.548 ( -2.734 3.100 -4.076) 5.805 9.678 ( 3.859 3.697 -5.482) 7.656 14.080 ( 2.105 6.748 39.980) 40.600 19.900 ( -0.494 2.805 7.285) 7.822 34.176 ( 3.732 -5.124 -1.461) 6.505 36.510 ( -0.209 -13.989 4.265) 14.627 51.716 ( -10.007 46.058 -89.709) 101.337======================= Grid point 1169 (437/781) =======================q-point: (-0.15 -0.15 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2110Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.617 ( 0.000 -28.110 -30.018) 41.125 2.995 ( 0.000 -26.578 -2.420) 26.688 5.087 ( 0.000 -40.325 -7.976) 41.106 5.125 ( 0.000 -3.729 -0.476) 3.759 6.642 ( 0.000 -23.751 -1.529) 23.801 9.546 ( 0.000 -3.458 -1.410) 3.734 9.694 ( 0.000 9.010 -8.640) 12.483 14.260 ( -0.000 4.227 35.378) 35.630 19.960 ( -0.000 3.065 6.930) 7.577 34.092 ( 0.000 -4.752 -1.513) 4.987 36.393 ( -0.000 -14.079 6.546) 15.526 51.920 ( 0.000 48.762 -91.803) 103.950======================= Grid point 1276 (438/781) =======================q-point: ( 0.15 0.15 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 770Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.560 ( -0.000 0.000 15.095) 15.095 0.560 ( -0.000 0.000 15.095) 15.095 3.272 ( -0.000 0.000 92.496) 92.496 4.830 ( -0.000 0.000 -0.003) 0.003 4.830 ( -0.000 -0.000 -0.003) 0.003 9.286 ( -0.000 0.000 0.175) 0.175 9.286 ( -0.000 0.000 0.175) 0.175 16.423 ( 0.000 -0.000 -25.315) 25.315 20.401 ( -0.000 0.000 7.532) 7.532 33.801 ( -0.000 0.000 0.962) 0.962 33.801 ( -0.000 0.000 0.962) 0.962 73.444 ( 0.000 -0.000 -1.096) 1.096======================= Grid point 1277 (439/781) =======================q-point: ( 0.20 0.15 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2110Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.873 ( 20.136 11.626 10.438) 25.487 1.233 ( 39.892 23.031 8.794) 46.895 3.593 ( -1.477 -0.853 86.643) 86.660 4.837 ( 0.966 0.558 -0.157) 1.127 4.978 ( 11.938 6.893 3.135) 14.137 9.273 ( 0.020 0.012 -0.207) 0.208 9.440 ( 11.354 6.555 -2.060) 13.272 16.001 ( -26.050 -15.040 -15.825) 33.988 20.280 ( -10.804 -6.238 7.113) 14.361 33.806 ( 0.691 0.399 0.839) 1.158 34.114 ( 24.259 14.006 -7.112) 28.900 70.168 (-245.223 -141.580 137.563) 314.806======================= Grid point 1278 (440/781) =======================q-point: ( 0.25 0.15 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.422 ( 24.651 14.232 7.367) 29.402 2.182 ( 40.001 23.095 9.407) 47.138 3.902 ( 2.988 1.725 73.142) 73.223 4.870 ( 1.986 1.147 -0.411) 2.330 5.348 ( 17.928 10.351 8.980) 22.565 9.287 ( 1.343 0.776 -0.306) 1.581 9.720 ( 13.367 7.717 -2.799) 15.686 15.294 ( -30.258 -17.470 -9.790) 36.285 20.059 ( -9.549 -5.513 2.650) 11.340 33.839 ( 1.930 1.114 0.832) 2.379 34.692 ( 28.718 16.581 -12.937) 35.595 65.385 (-227.109 -131.121 218.957) 341.633======================= Grid point 1279 (441/781) =======================q-point: ( 0.30 0.15 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2110Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.010 ( 25.091 14.486 6.112) 29.610 3.061 ( 33.238 19.190 16.516) 41.783 4.320 ( 12.903 7.450 55.080) 57.060 4.921 ( 2.662 1.537 -0.729) 3.159 5.812 ( 19.279 11.131 11.492) 25.053 9.331 ( 2.626 1.516 -0.150) 3.036 9.982 ( 9.611 5.549 1.044) 11.147 14.629 ( -23.595 -13.623 -17.358) 32.305 19.888 ( -5.806 -3.352 -1.850) 6.955 33.898 ( 3.022 1.745 0.924) 3.610 35.268 ( 26.531 15.318 -11.530) 32.734 61.712 (-175.566 -101.363 208.927) 291.116======================= Grid point 1280 (442/781) =======================q-point: ( 0.35 0.15 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.585 ( 24.026 13.872 5.427) 28.269 3.784 ( 23.710 13.689 27.438) 38.760 4.900 ( 22.997 13.277 34.602) 43.618 4.981 ( 2.933 1.694 -1.038) 3.543 6.282 ( 18.616 10.748 10.442) 23.898 9.402 ( 3.630 2.096 0.128) 4.193 10.133 ( 1.965 1.135 6.862) 7.227 14.124 ( -12.890 -7.442 -31.001) 34.389 19.781 ( -2.819 -1.628 -4.073) 5.214 33.979 ( 3.821 2.206 1.059) 4.537 35.792 ( 23.329 13.469 -7.529) 27.971 58.941 (-139.173 -80.352 175.825) 238.201======================= Grid point 1281 (443/781) =======================q-point: ( 0.40 0.15 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2110Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.123 ( 22.009 12.707 4.893) 25.880 4.348 ( 16.659 9.618 33.017) 38.212 5.041 ( 2.762 1.595 -1.268) 3.432 5.574 ( 26.804 15.476 19.626) 36.649 6.720 ( 17.216 9.940 7.606) 21.285 9.491 ( 4.155 2.399 0.344) 4.810 10.107 ( -7.202 -4.158 10.267) 13.212 13.823 ( -1.473 -0.850 -42.640) 42.674 19.725 ( -0.848 -0.489 -4.365) 4.473 34.075 ( 4.200 2.425 1.166) 4.988 36.258 ( 19.980 11.535 -3.584) 23.347 56.713 (-114.409 -66.054 142.040) 193.979======================= Grid point 1282 (444/781) =======================q-point: ( 0.45 0.15 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.606 ( 19.256 11.118 4.413) 22.669 4.790 ( 11.750 6.784 31.810) 34.583 5.092 ( 2.132 1.231 -1.394) 2.829 6.212 ( 24.185 13.963 10.098) 29.696 7.114 ( 15.836 9.143 5.049) 18.970 9.587 ( 4.095 2.364 0.349) 4.741 9.899 ( -13.959 -8.059 8.680) 18.307 13.722 ( 7.296 4.212 -47.810) 48.547 19.705 ( 0.303 0.175 -3.542) 3.559 34.173 ( 4.086 2.359 1.189) 4.866 36.658 ( 16.305 9.414 -0.620) 18.838 54.847 ( -95.261 -54.999 112.247) 157.159======================= Grid point 1283 (445/781) =======================q-point: ( 0.50 0.15 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2110Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.017 ( 15.871 9.163 4.022) 18.763 5.113 ( 6.768 3.907 27.109) 28.213 5.124 ( 1.104 0.637 -1.452) 1.932 6.705 ( 17.282 9.978 1.186) 19.991 7.475 ( 14.738 8.509 4.666) 17.646 9.581 ( -15.707 -9.068 4.448) 18.674 9.673 ( 3.467 2.002 0.091) 4.005 13.762 ( 11.894 6.867 -47.646) 49.586 19.708 ( 0.895 0.517 -2.328) 2.547 34.263 ( 3.478 2.008 1.109) 4.167 36.980 ( 12.156 7.018 1.186) 14.086 53.277 ( -78.380 -45.253 86.899) 125.469======================= Grid point 1284 (446/781) =======================q-point: ( 0.55 0.15 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.344 ( 11.715 6.764 3.787) 14.048 5.130 ( -0.002 -0.001 -1.513) 1.513 5.290 ( 0.690 0.398 20.746) 20.761 6.988 ( 9.089 5.248 -7.325) 12.798 7.800 ( 11.903 6.872 5.247) 14.712 9.268 ( -12.313 -7.109 1.494) 14.296 9.739 ( 2.405 1.389 -0.361) 2.801 13.872 ( 13.354 7.710 -45.275) 47.828 19.725 ( 1.164 0.672 -1.261) 1.843 34.334 ( 2.453 1.416 0.952) 2.988 37.209 ( 7.607 4.392 1.969) 9.002 51.988 ( -62.231 -35.929 65.801) 97.434======================= Grid point 1285 (447/781) =======================q-point: ( 0.60 0.15 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2110Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.560 ( 5.944 3.431 3.625) 7.762 5.119 ( -0.124 -0.071 -1.525) 1.532 5.290 ( -6.647 -3.838 13.381) 15.426 7.076 ( 2.491 1.438 -11.784) 12.130 8.019 ( 5.481 3.165 4.162) 7.575 9.071 ( -5.329 -3.077 0.982) 6.232 9.777 ( 1.119 0.646 -0.836) 1.539 14.005 ( 13.162 7.599 -42.591) 45.221 19.749 ( 1.288 0.744 -0.660) 1.627 34.379 ( 1.150 0.664 0.780) 1.540 37.335 ( 2.927 1.690 2.003) 3.928 50.988 ( -46.188 -26.667 48.965) 72.402======================= Grid point 1286 (448/781) =======================q-point: (-0.35 0.15 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.618 ( -2.132 -1.231 2.965) 3.853 5.092 ( -14.174 -8.183 6.145) 17.482 5.130 ( 1.688 0.975 -0.959) 2.172 7.031 ( -2.346 -1.354 -10.623) 10.963 8.072 ( -1.562 -0.902 2.592) 3.157 9.028 ( 0.692 0.400 0.416) 0.901 9.784 ( -0.161 -0.093 -1.133) 1.148 14.133 ( 12.188 7.037 -40.352) 42.736 19.777 ( 1.401 0.809 -0.617) 1.731 34.391 ( -0.258 -0.149 0.664) 0.728 37.357 ( -1.516 -0.875 1.596) 2.368 50.293 ( -30.097 -17.376 36.746) 50.577======================= Grid point 1287 (449/781) =======================q-point: (-0.30 0.15 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2110Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.498 ( -8.983 -5.186 2.017) 10.567 4.716 ( -20.174 -11.648 1.460) 23.341 5.177 ( 2.210 1.276 -0.051) 2.552 6.895 ( -7.116 -4.108 -5.687) 9.993 7.984 ( -6.844 -3.952 1.863) 8.120 9.077 ( 3.437 1.984 -1.477) 4.235 9.763 ( -1.253 -0.723 -1.099) 1.817 14.241 ( 10.713 6.185 -38.875) 40.795 19.807 ( 1.607 0.928 -1.059) 2.136 34.373 ( -1.596 -0.921 0.663) 1.958 37.283 ( -5.347 -3.087 1.005) 6.256 49.921 ( -14.159 -8.175 29.823) 34.011======================= Grid point 1288 (450/781) =======================q-point: (-0.25 0.15 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.219 ( -24.063 -13.892 1.148) 27.809 4.247 ( -13.732 -7.928 1.542) 15.932 5.214 ( 0.901 0.520 0.447) 1.132 6.659 ( -13.170 -7.604 -0.103) 15.208 7.782 ( -11.678 -6.742 1.394) 13.556 9.168 ( 5.387 3.110 -2.505) 6.705 9.722 ( -2.058 -1.188 -0.694) 2.476 14.314 ( 8.767 5.061 -38.284) 39.600 19.842 ( 1.946 1.124 -1.880) 2.930 34.327 ( -2.719 -1.570 0.793) 3.239 37.131 ( -8.283 -4.782 0.332) 9.570 49.887 ( 1.145 0.661 29.256) 29.285======================= Grid point 1289 (451/781) =======================q-point: (-0.20 0.15 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2110Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.663 ( -26.130 -15.086 5.677) 30.702 3.900 ( -17.493 -10.099 1.500) 20.255 5.218 ( -0.786 -0.454 0.617) 1.098 6.292 ( -20.419 -11.789 4.202) 23.949 7.474 ( -15.969 -9.220 0.896) 18.461 9.303 ( 7.269 4.197 -0.724) 8.425 9.668 ( -2.576 -1.487 -0.009) 2.975 14.340 ( 6.491 3.748 -38.374) 39.100 19.881 ( 2.347 1.355 -3.078) 4.101 34.259 ( -3.534 -2.040 1.025) 4.208 36.921 ( -10.214 -5.897 -0.619) 11.810 50.197 ( 15.292 8.829 36.797) 40.815======================= Grid point 1290 (452/781) =======================q-point: (-0.15 0.15 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.108 ( -26.429 -15.259 15.239) 34.112 3.478 ( -20.579 -11.881 1.807) 23.831 5.185 ( -2.242 -1.294 0.597) 2.657 5.768 ( -28.041 -16.190 6.669) 33.059 7.083 ( -18.917 -10.922 0.870) 21.861 9.486 ( 8.320 4.803 3.721) 10.302 9.608 ( -2.865 -1.654 0.765) 3.396 14.315 ( 4.396 2.538 -38.213) 38.549 19.922 ( 2.636 1.522 -4.759) 5.649 34.178 ( -3.999 -2.309 1.293) 4.795 36.673 ( -11.311 -6.531 -2.504) 13.299 50.860 ( 28.333 16.358 55.662) 64.564======================= Grid point 1297 (453/781) =======================q-point: ( 0.20 0.20 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.945 ( -0.000 23.041 10.776) 25.436 1.242 ( -0.000 45.014 8.629) 45.833 3.913 ( -0.000 -3.905 83.082) 83.174 4.851 ( -0.000 1.816 -0.007) 1.816 4.986 ( -0.000 15.074 5.264) 15.967 9.328 ( -0.000 2.600 0.566) 2.661 9.379 ( 0.000 10.219 -2.552) 10.533 15.919 ( 0.000 -28.996 -19.793) 35.107 20.306 ( -0.000 -13.366 7.512) 15.333 33.837 ( -0.000 2.105 1.271) 2.459 34.064 ( 0.000 24.468 -5.533) 25.086 70.638 ( -0.000 -248.917 108.939) 271.712======================= Grid point 1298 (454/781) =======================q-point: ( 0.25 0.20 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.332 ( 12.444 24.985 8.332) 29.130 1.949 ( 24.743 39.950 8.094) 47.684 4.162 ( -0.255 -1.873 69.837) 69.863 4.876 ( 0.472 3.110 -0.285) 3.159 5.281 ( 9.953 17.557 13.603) 24.338 9.319 ( -2.250 3.973 -0.021) 4.566 9.592 ( 10.448 10.923 -3.279) 15.467 15.395 ( -15.737 -32.556 -15.152) 39.206 20.133 ( -6.489 -12.233 5.125) 14.766 33.856 ( -0.513 3.298 1.148) 3.530 34.456 ( 17.217 25.502 -9.342) 32.156 67.500 (-128.825 -221.689 171.597) 308.525======================= Grid point 1299 (455/781) =======================q-point: ( 0.30 0.20 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.862 ( 17.718 23.989 6.813) 30.591 2.804 ( 29.709 31.218 10.886) 44.449 4.445 ( 5.259 4.075 55.202) 55.601 4.925 ( 1.017 4.607 -0.536) 4.748 5.712 ( 13.735 15.762 18.069) 27.633 9.339 ( -0.197 4.251 0.045) 4.256 9.870 ( 11.125 9.225 -1.933) 14.581 14.725 ( -19.077 -29.126 -17.033) 38.760 19.936 ( -5.938 -7.974 0.994) 9.991 33.899 ( 0.895 4.112 1.146) 4.361 34.991 ( 21.952 22.119 -10.003) 32.729 63.949 (-144.365 -164.711 190.070) 289.996======================= Grid point 1300 (456/781) =======================q-point: ( 0.35 0.20 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.425 ( 18.841 22.640 6.017) 30.063 3.600 ( 26.812 21.828 17.751) 38.864 4.849 ( 12.860 9.813 36.391) 39.825 4.999 ( 1.738 6.955 2.353) 7.545 6.164 ( 14.712 13.228 17.085) 26.141 9.394 ( 1.398 4.608 0.293) 4.824 10.099 ( 6.900 4.651 2.572) 8.710 14.103 ( -14.090 -22.206 -26.969) 37.669 19.794 ( -3.418 -4.474 -2.067) 5.998 33.972 ( 1.909 4.949 1.243) 5.448 35.526 ( 22.074 18.063 -7.610) 29.520 60.934 (-130.591 -123.221 173.613) 249.757======================= Grid point 1301 (457/781) =======================q-point: ( 0.40 0.20 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.972 ( 17.989 21.114 5.456) 28.269 4.249 ( 20.399 12.672 25.658) 35.143 5.055 ( 1.155 7.281 -1.178) 7.466 5.412 ( 20.126 15.742 23.812) 34.927 6.586 ( 14.628 10.877 13.229) 22.523 9.474 ( 2.366 4.891 0.533) 5.459 10.183 ( -1.436 -2.078 7.770) 8.171 13.644 ( -4.070 -13.482 -39.570) 42.002 19.714 ( -1.136 -2.235 -3.250) 4.105 34.066 ( 2.356 5.762 1.345) 6.368 36.020 ( 20.541 14.213 -4.332) 25.352 58.426 (-114.190 -96.124 146.462) 209.118======================= Grid point 1302 (458/781) =======================q-point: ( 0.45 0.20 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.475 ( 15.968 19.338 4.945) 25.561 4.728 ( 14.259 4.718 26.973) 30.872 5.145 ( 0.038 10.274 0.547) 10.289 6.002 ( 22.278 15.540 11.742) 29.592 6.969 ( 14.431 9.054 8.916) 19.228 9.567 ( 2.610 4.811 0.609) 5.507 10.062 ( -10.439 -8.296 9.242) 16.224 13.412 ( 6.873 -5.218 -48.005) 48.775 19.682 ( 0.417 -0.980 -3.033) 3.215 34.170 ( 2.197 6.415 1.380) 6.920 36.456 ( 18.125 10.499 -1.446) 20.996 56.299 ( -98.994 -77.112 118.775) 172.782======================= Grid point 1303 (459/781) =======================q-point: ( 0.50 0.20 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.918 ( 13.145 17.223 4.483) 22.125 5.006 ( 7.351 -1.748 14.782) 16.601 5.282 ( 0.175 13.264 10.998) 17.231 6.510 ( 18.431 11.275 1.943) 21.694 7.325 ( 14.709 8.020 6.454) 17.954 9.644 ( 0.475 0.986 0.986) 1.473 9.782 ( -13.512 -7.361 5.643) 16.389 13.386 ( 14.212 -0.043 -49.875) 51.861 19.681 ( 1.292 -0.384 -2.151) 2.539 34.271 ( 1.461 6.797 1.312) 7.075 36.819 ( 14.959 6.799 0.567) 16.441 54.483 ( -84.432 -62.230 93.811) 140.719======================= Grid point 1304 (460/781) =======================q-point: ( 0.55 0.20 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.282 ( 9.652 14.557 4.137) 17.950 5.095 ( 2.114 -1.529 4.770) 5.437 5.444 ( -2.173 9.732 16.255) 19.070 6.836 ( 11.668 5.480 -6.844) 14.595 7.666 ( 13.965 6.727 5.949) 16.603 9.408 ( -13.197 -10.774 2.479) 17.216 9.751 ( 0.160 5.597 0.193) 5.603 13.481 ( 17.289 2.065 -48.194) 51.243 19.698 ( 1.689 -0.171 -1.246) 2.106 34.358 ( 0.257 6.842 1.154) 6.943 37.092 ( 11.144 3.141 1.662) 11.697 52.957 ( -69.750 -49.503 72.587) 112.180======================= Grid point 1305 (461/781) =======================q-point: ( 0.60 0.20 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.548 ( 5.164 10.678 3.910) 12.489 5.109 ( -0.242 -0.690 2.365) 2.475 5.489 ( -8.230 5.638 11.903) 15.531 6.974 ( 5.757 1.176 -11.625) 13.026 7.941 ( 9.422 3.389 4.850) 11.125 9.143 ( -8.095 -6.395 1.084) 10.373 9.799 ( -0.732 5.104 -0.402) 5.172 13.623 ( 17.773 2.607 -45.757) 49.157 19.723 ( 1.819 -0.127 -0.748) 1.971 34.419 ( -1.241 6.534 0.960) 6.720 37.265 ( 6.901 -0.310 2.007) 7.193 51.727 ( -54.532 -37.993 55.581) 86.640======================= Grid point 1306 (462/781) =======================q-point: ( 0.65 0.20 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.674 ( -1.280 4.477 3.436) 5.787 5.099 ( -1.756 -1.247 3.430) 4.050 5.370 ( -14.016 4.479 3.671) 15.165 6.988 ( 1.368 -0.970 -10.467) 10.600 8.067 ( 2.381 -0.968 3.131) 4.051 9.029 ( -1.455 -1.960 0.401) 2.474 9.820 ( -2.075 4.511 -0.797) 5.029 13.773 ( 16.949 2.683 -43.657) 46.908 19.750 ( 1.858 -0.099 -0.827) 2.036 34.449 ( -2.821 5.905 0.805) 6.594 37.334 ( 2.555 -3.327 1.861) 4.589 50.811 ( -38.638 -27.270 43.282) 64.108======================= Grid point 1307 (463/781) =======================q-point: (-0.30 0.20 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.616 ( -8.025 -1.703 2.674) 8.629 4.939 ( -15.692 -8.122 4.064) 18.131 5.259 ( -5.906 10.360 -1.503) 12.019 6.929 ( -3.038 -2.413 -5.150) 6.448 8.038 ( -3.494 -4.346 2.100) 5.958 9.033 ( 2.407 0.285 -1.314) 2.757 9.812 ( -3.266 3.886 -0.904) 5.156 13.909 ( 15.316 2.754 -42.246) 45.021 19.777 ( 1.945 0.011 -1.429) 2.414 34.445 ( -4.273 5.023 0.751) 6.637 37.304 ( -1.532 -5.683 1.465) 6.065 50.233 ( -22.172 -17.204 36.342) 45.916======================= Grid point 1308 (464/781) =======================q-point: (-0.25 0.20 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.400 ( -14.194 -7.620 2.961) 16.380 4.536 ( -22.258 -6.461 1.956) 23.259 5.284 ( -3.528 9.129 -0.263) 9.790 6.789 ( -8.970 -4.653 0.992) 10.154 7.889 ( -8.372 -7.207 1.569) 11.158 9.094 ( 4.737 1.553 -2.721) 5.680 9.781 ( -4.121 3.313 -0.641) 5.326 14.016 ( 12.960 2.923 -41.652) 43.719 19.805 ( 2.153 0.242 -2.409) 3.240 34.409 ( -5.425 3.972 0.828) 6.774 37.189 ( -5.054 -7.220 0.944) 8.863 50.013 ( -5.478 -7.883 35.660) 36.929======================= Grid point 1309 (465/781) =======================q-point: (-0.20 0.20 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.981 ( -23.887 -12.299 7.087) 27.786 4.153 ( -19.734 -3.753 1.831) 20.171 5.297 ( -4.488 7.249 0.195) 8.528 6.529 ( -16.562 -7.814 5.848) 19.223 7.630 ( -12.997 -9.801 0.983) 16.308 9.207 ( 7.329 2.673 -1.511) 7.946 9.736 ( -4.621 2.894 -0.042) 5.452 14.081 ( 9.991 3.230 -41.742) 43.043 19.836 ( 2.444 0.550 -3.690) 4.460 34.348 ( -6.166 2.843 1.017) 6.866 37.007 ( -7.851 -7.888 0.189) 11.131 50.172 ( 11.022 0.485 42.585) 43.991======================= Grid point 1310 (466/781) =======================q-point: (-0.15 0.20 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.482 ( -25.944 -11.290 15.705) 32.361 3.765 ( -22.241 -5.277 2.304) 22.974 5.274 ( -5.640 5.414 0.270) 7.823 6.115 ( -25.057 -11.271 8.619) 28.795 7.278 ( -16.591 -11.360 0.731) 20.120 9.379 ( 9.366 2.712 2.597) 10.091 9.685 ( -4.685 2.901 0.876) 5.580 14.098 ( 6.882 3.855 -41.804) 42.542 19.869 ( 2.671 0.828 -5.314) 6.005 34.267 ( -6.454 1.719 1.256) 6.796 36.778 ( -10.014 -7.787 -1.266) 12.748 50.726 ( 27.323 7.792 59.359) 65.808======================= Grid point 1318 (467/781) =======================q-point: ( 0.25 0.25 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.518 ( -0.000 27.556 7.912) 28.669 2.213 ( -0.000 46.776 8.282) 47.503 4.392 ( -0.000 -0.908 58.813) 58.820 4.898 ( 0.000 2.992 -0.240) 3.001 5.465 ( -0.000 21.665 20.926) 30.121 9.392 ( -0.000 3.363 0.632) 3.422 9.601 ( 0.000 14.601 -4.439) 15.261 15.104 ( 0.000 -39.664 -15.902) 42.733 20.071 ( -0.000 -14.217 4.326) 14.861 33.900 ( -0.000 3.307 1.381) 3.584 34.555 ( 0.000 30.308 -8.795) 31.558 66.864 ( -0.000 -238.097 165.469) 289.949======================= Grid point 1319 (468/781) =======================q-point: ( 0.30 0.25 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.909 ( 10.142 27.603 6.929) 30.212 2.817 ( 14.457 40.764 10.112) 44.418 4.621 ( 2.040 4.587 47.040) 47.307 4.944 ( 1.655 4.079 -0.598) 4.442 5.810 ( 5.440 19.728 25.003) 32.310 9.407 ( -1.803 4.598 0.320) 4.950 9.801 ( 7.644 12.907 -3.578) 15.422 14.562 ( -9.284 -39.558 -17.365) 44.189 19.925 ( -3.084 -11.197 1.730) 11.742 33.941 ( 0.169 4.357 1.334) 4.560 34.917 ( 11.252 28.225 -8.427) 31.532 64.663 ( -71.089 -201.354 170.593) 273.311======================= Grid point 1320 (469/781) =======================q-point: ( 0.35 0.25 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.415 ( 14.613 26.938 6.310) 31.289 3.508 ( 19.768 30.162 14.341) 38.810 4.922 ( 6.086 10.773 31.844) 34.163 5.032 ( 3.586 6.286 2.398) 7.624 6.194 ( 7.901 16.077 24.031) 29.974 9.439 ( -0.316 5.500 0.404) 5.524 10.036 ( 7.745 8.472 -0.571) 11.493 13.943 ( -10.782 -34.494 -23.958) 43.360 19.785 ( -2.706 -7.139 -0.851) 7.682 34.007 ( 1.255 5.746 1.366) 6.038 35.375 ( 15.848 23.535 -6.746) 29.165 62.117 ( -94.353 -158.544 161.636) 245.286======================= Grid point 1321 (470/781) =======================q-point: ( 0.40 0.25 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.951 ( 15.200 26.060 5.959) 30.752 4.143 ( 19.030 18.253 20.371) 33.321 5.111 ( 1.995 9.503 -1.121) 9.775 5.369 ( 13.747 15.499 22.298) 30.437 6.560 ( 9.095 12.489 19.744) 25.071 9.504 ( 1.030 6.093 0.669) 6.216 10.187 ( 2.642 1.346 4.494) 5.384 13.392 ( -5.252 -25.808 -34.909) 43.730 19.693 ( -1.111 -4.011 -2.225) 4.720 34.103 ( 1.939 7.251 1.462) 7.647 35.838 ( 17.098 18.328 -4.245) 25.422 59.699 ( -96.921 -124.865 141.706) 212.286======================= Grid point 1322 (471/781) =======================q-point: ( 0.45 0.25 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.467 ( 13.765 24.831 5.638) 28.945 4.637 ( 14.323 7.519 23.242) 28.317 5.247 ( 2.109 12.901 -0.472) 13.081 5.866 ( 17.541 17.086 11.408) 27.014 6.893 ( 10.098 9.553 14.177) 19.855 9.591 ( 1.566 6.181 0.883) 6.437 10.159 ( -6.044 -6.862 8.404) 12.420 13.033 ( 5.056 -15.197 -45.071) 47.832 19.650 ( 0.402 -2.089 -2.339) 3.162 34.220 ( 1.861 8.764 1.528) 9.089 36.265 ( 16.640 13.071 -1.786) 21.235 57.512 ( -91.691 -99.684 118.023) 179.648======================= Grid point 1323 (472/781) =======================q-point: ( 0.50 0.25 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.932 ( 11.205 23.060 5.256) 26.171 4.938 ( 7.692 0.985 17.092) 18.769 5.438 ( 2.446 15.410 6.346) 16.844 6.336 ( 16.553 13.213 1.646) 21.244 7.203 ( 11.832 7.758 9.561) 17.076 9.665 ( -0.048 2.667 1.235) 2.940 9.943 ( -11.621 -8.418 7.110) 16.014 12.918 ( 14.480 -6.906 -48.993) 51.553 19.643 ( 1.414 -1.125 -1.712) 2.489 34.343 ( 0.991 10.103 1.501) 10.262 36.632 ( 15.076 7.867 0.108) 17.006 55.572 ( -82.943 -80.023 94.877) 149.281======================= Grid point 1324 (473/781) =======================q-point: ( 0.55 0.25 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.325 ( 7.883 20.391 4.838) 22.391 5.075 ( 2.869 0.105 9.580) 10.001 5.641 ( -0.572 14.037 11.269) 18.010 6.663 ( 11.955 6.265 -6.955) 15.183 7.520 ( 13.473 6.563 7.163) 16.611 9.511 ( -11.320 -12.732 2.869) 17.276 9.842 ( -2.561 7.594 1.877) 8.231 12.979 ( 19.427 -3.028 -47.988) 51.860 19.658 ( 1.928 -0.780 -0.960) 2.290 34.456 ( -0.549 11.076 1.370) 11.174 36.922 ( 12.649 2.867 1.271) 13.032 53.889 ( -71.974 -63.785 74.367) 121.570======================= Grid point 1325 (474/781) =======================q-point: ( 0.60 0.25 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.620 ( 3.754 15.787 4.393) 16.812 5.133 ( 0.092 1.456 6.244) 6.412 5.744 ( -7.114 11.323 8.927) 16.079 6.822 ( 7.894 0.886 -11.545) 14.013 7.814 ( 11.656 3.670 5.479) 13.393 9.219 ( -9.417 -9.668 1.302) 13.559 9.895 ( -2.291 8.948 0.898) 9.280 13.123 ( 21.000 -1.712 -45.667) 50.293 19.682 ( 2.104 -0.743 -0.557) 2.300 34.546 ( -2.525 11.524 1.177) 11.856 37.121 ( 9.556 -1.669 1.776) 9.862 52.481 ( -59.215 -49.789 57.598) 96.452======================= Grid point 1326 (475/781) =======================q-point: ( 0.65 0.25 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.773 ( -1.571 7.786 3.820) 8.814 5.166 ( -2.145 3.891 5.829) 7.329 5.683 ( -13.815 9.278 1.537) 16.712 6.886 ( 5.070 -0.834 -9.562) 10.855 7.999 ( 6.119 -0.777 3.696) 7.191 9.042 ( -3.684 -4.622 0.292) 5.917 9.934 ( -3.766 8.777 0.469) 9.562 13.294 ( 20.786 -1.002 -43.559) 48.274 19.708 ( 2.129 -0.774 -0.726) 2.379 34.601 ( -4.643 11.352 0.994) 12.305 37.224 ( 6.042 -5.423 1.817) 8.320 51.374 ( -44.856 -37.395 45.334) 73.930======================= Grid point 1327 (476/781) =======================q-point: (-0.30 0.25 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.750 ( -7.026 0.297 3.619) 7.909 5.128 ( -10.060 0.172 5.270) 11.358 5.535 ( -13.044 13.222 -3.852) 18.968 6.909 ( 1.429 -0.959 -3.743) 4.120 8.033 ( -0.020 -4.707 2.418) 5.292 8.993 ( 0.976 -1.447 -1.219) 2.129 9.942 ( -5.252 8.165 0.233) 9.711 13.466 ( 19.452 0.015 -42.042) 46.324 19.733 ( 2.157 -0.707 -1.439) 2.688 34.617 ( -6.595 10.540 0.891) 12.465 37.235 ( 2.393 -8.107 1.612) 8.605 50.598 ( -29.082 -26.284 38.280) 54.790======================= Grid point 1328 (477/781) =======================q-point: (-0.25 0.25 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.581 ( -12.384 -4.636 4.575) 13.992 4.857 ( -19.977 -2.321 1.534) 20.170 5.500 ( -8.070 15.291 -1.760) 17.379 6.874 ( -4.110 -1.902 2.278) 5.070 7.936 ( -5.063 -7.779 1.709) 9.438 9.020 ( 3.697 0.205 -2.793) 4.638 9.920 ( -6.271 7.257 0.263) 9.595 13.625 ( 17.110 1.546 -41.239) 44.675 19.757 ( 2.282 -0.473 -2.527) 3.438 34.592 ( -8.124 9.144 0.906) 12.265 37.164 ( -1.122 -9.535 1.308) 9.689 50.184 ( -12.196 -16.391 37.203) 42.444======================= Grid point 1329 (478/781) =======================q-point: (-0.20 0.25 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.273 ( -19.280 -8.199 7.694) 22.319 4.493 ( -21.538 -0.238 1.652) 21.602 5.503 ( -7.979 13.080 -0.508) 15.330 6.735 ( -11.573 -3.995 7.032) 14.119 7.727 ( -9.706 -10.439 0.997) 14.289 9.104 ( 6.451 1.649 -2.390) 7.074 9.877 ( -6.690 6.175 0.596) 9.124 13.754 ( 13.825 3.529 -41.132) 43.537 19.782 ( 2.491 -0.102 -3.840) 4.579 34.530 ( -9.058 7.294 1.031) 11.675 37.028 ( -4.326 -9.678 0.870) 10.637 50.160 ( 5.412 -7.837 43.067) 44.107======================= Grid point 1330 (479/781) =======================q-point: (-0.15 0.25 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.868 ( -23.517 -7.554 14.731) 28.759 4.130 ( -22.806 -0.539 2.903) 22.997 5.475 ( -8.796 10.215 -0.200) 13.482 6.448 ( -20.414 -6.583 9.838) 23.598 7.422 ( -13.550 -11.753 0.450) 17.943 9.253 ( 9.151 2.362 0.927) 9.496 9.822 ( -6.491 4.993 1.200) 8.277 13.844 ( 10.009 5.911 -41.315) 42.919 19.809 ( 2.659 0.292 -5.346) 5.978 34.439 ( -9.332 5.177 1.210) 10.740 36.842 ( -7.217 -8.687 -0.002) 11.294 50.550 ( 23.581 -0.825 57.249) 61.921======================= Grid point 1339 (480/781) =======================q-point: ( 0.30 0.30 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.116 ( -0.000 28.027 6.388) 28.745 3.152 ( -0.000 41.176 11.614) 42.782 4.829 ( -0.000 8.833 38.098) 39.108 4.960 ( 0.000 3.705 -0.637) 3.760 6.065 ( -0.000 19.625 27.670) 33.923 9.464 ( -0.000 3.563 0.434) 3.589 9.859 ( 0.000 14.759 -3.746) 15.227 14.160 ( 0.000 -43.569 -18.502) 47.334 19.844 ( -0.000 -10.762 0.811) 10.793 33.984 ( -0.000 4.138 1.297) 4.336 35.085 ( 0.000 30.194 -7.016) 30.999 63.889 ( -0.000 -197.927 159.302) 254.072======================= Grid point 1340 (481/781) =======================q-point: ( 0.35 0.30 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.495 ( 9.492 27.408 5.884) 29.596 3.646 ( 8.064 33.710 14.897) 37.726 5.021 ( 2.807 4.574 -1.029) 5.464 5.093 ( 2.979 14.661 28.839) 32.488 6.372 ( 2.430 17.003 26.448) 31.536 9.496 ( -0.303 4.268 0.354) 4.293 10.024 ( 4.275 11.719 -1.753) 12.597 13.613 ( -5.019 -41.874 -22.655) 47.874 19.740 ( -1.134 -7.976 -0.600) 8.079 34.042 ( 1.331 4.947 1.255) 5.275 35.411 ( 6.963 27.769 -5.345) 29.123 62.250 ( -44.546 -172.706 147.778) 231.625======================= Grid point 1341 (482/781) =======================q-point: ( 0.40 0.30 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.985 ( 14.051 26.658 5.704) 30.670 4.155 ( 11.503 22.367 19.227) 31.659 5.133 ( 4.590 6.624 -1.770) 8.251 5.439 ( 7.176 19.974 18.815) 28.363 6.666 ( 3.592 13.604 22.683) 26.692 9.549 ( 0.879 5.235 0.586) 5.341 10.178 ( 3.034 5.099 2.384) 6.395 13.049 ( -4.037 -35.119 -30.764) 46.863 19.657 ( -0.648 -4.951 -1.501) 5.214 34.137 ( 2.801 6.474 1.327) 7.178 35.792 ( 10.271 23.036 -3.392) 25.449 60.289 ( -66.025 -143.668 131.279) 205.509======================= Grid point 1342 (483/781) =======================q-point: ( 0.45 0.30 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.506 ( 14.273 26.042 5.727) 30.244 4.591 ( 11.178 10.905 21.645) 26.691 5.294 ( 5.886 10.071 -1.502) 11.761 5.851 ( 10.573 21.757 9.089) 25.841 6.928 ( 4.618 10.314 17.510) 20.840 9.628 ( 1.628 5.560 0.971) 5.874 10.208 ( -3.066 -3.948 7.272) 8.824 12.609 ( 3.294 -23.958 -40.407) 47.091 19.612 ( 0.392 -2.733 -1.561) 3.172 34.269 ( 3.440 8.473 1.440) 9.258 36.164 ( 11.484 17.196 -1.488) 20.731 58.293 ( -73.638 -117.649 111.221) 177.859======================= Grid point 1343 (484/781) =======================q-point: ( 0.50 0.30 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.001 ( 11.922 25.113 5.740) 28.385 4.894 ( 7.645 3.005 18.267) 20.029 5.521 ( 7.173 13.397 2.398) 15.384 6.253 ( 10.794 18.148 0.388) 21.119 7.164 ( 6.647 7.881 12.393) 16.120 9.695 ( -0.117 1.469 1.604) 2.178 10.066 ( -8.640 -7.089 8.072) 13.786 12.407 ( 13.046 -12.851 -45.522) 49.067 19.602 ( 1.296 -1.495 -1.033) 2.232 34.423 ( 2.899 10.709 1.498) 11.195 36.493 ( 11.505 10.806 0.033) 15.784 56.397 ( -73.353 -95.567 90.453) 150.650======================= Grid point 1344 (485/781) =======================q-point: ( 0.55 0.30 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.428 ( 8.117 22.997 5.623) 25.027 5.063 ( 4.173 0.738 12.314) 13.023 5.788 ( 5.160 14.644 7.037) 17.047 6.535 ( 7.698 9.811 -7.865) 14.744 7.413 ( 9.927 6.567 8.735) 14.764 9.565 ( -8.969 -13.314 2.946) 16.321 9.981 ( -3.405 7.469 4.186) 9.215 12.421 ( 19.454 -7.060 -44.940) 49.476 19.614 ( 1.833 -1.025 -0.400) 2.137 34.579 ( 1.189 12.863 1.452) 12.999 36.756 ( 10.755 4.312 1.012) 11.632 54.670 ( -68.153 -76.805 71.230) 124.970======================= Grid point 1345 (486/781) =======================q-point: ( 0.60 0.30 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.746 ( 3.177 17.408 5.362) 18.490 5.168 ( 2.186 3.106 8.449) 9.263 5.993 ( -2.441 15.135 6.889) 16.807 6.657 ( 6.348 1.430 -12.830) 14.385 7.678 ( 11.074 4.138 6.202) 13.350 9.276 ( -9.265 -12.380 1.618) 15.548 10.048 ( -2.770 11.598 3.081) 12.315 12.552 ( 22.325 -5.127 -42.644) 48.407 19.637 ( 2.047 -0.997 -0.091) 2.279 34.717 ( -1.442 14.558 1.314) 14.688 36.944 ( 9.430 -1.754 1.473) 9.704 53.164 ( -59.469 -60.683 55.059) 101.245======================= Grid point 1346 (487/781) =======================q-point: ( 0.65 0.30 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.895 ( -1.950 7.108 5.005) 8.910 5.275 ( -0.194 8.674 6.640) 10.926 6.019 ( -12.429 13.803 -1.009) 18.602 6.732 ( 7.993 -0.982 -8.588) 11.773 7.884 ( 8.201 -0.304 4.165) 9.203 9.061 ( -5.102 -7.187 0.370) 8.822 10.115 ( -4.660 12.286 2.772) 13.429 12.736 ( 23.239 -3.951 -40.524) 46.881 19.661 ( 2.089 -1.104 -0.334) 2.386 34.818 ( -4.562 15.406 1.146) 16.108 37.051 ( 7.631 -6.785 1.558) 10.329 51.920 ( -48.010 -46.696 42.985) 79.582======================= Grid point 1347 (488/781) =======================q-point: ( 0.70 0.30 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.879 ( -5.838 0.314 4.999) 7.692 5.328 ( -7.088 6.844 4.515) 10.838 5.892 ( -14.838 14.901 -6.724) 22.078 6.834 ( 5.953 0.449 -1.293) 6.108 7.968 ( 3.147 -4.916 2.703) 6.432 8.964 ( -0.666 -3.151 -1.052) 3.388 10.146 ( -6.797 11.683 2.456) 13.738 12.944 ( 22.797 -1.973 -38.881) 45.115 19.683 ( 2.112 -1.115 -1.114) 2.635 34.869 ( -7.639 15.094 1.022) 16.948 37.084 ( 5.421 -10.206 1.458) 11.648 50.979 ( -34.187 -34.516 35.822) 60.360======================= Grid point 1348 (489/781) =======================q-point: (-0.25 0.30 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.753 ( -9.934 -3.186 5.794) 11.933 5.171 ( -16.790 2.170 0.313) 16.933 5.817 ( -10.954 17.742 -3.696) 21.176 6.907 ( 0.849 0.874 3.840) 4.028 7.921 ( -1.801 -8.561 1.771) 8.925 8.955 ( 2.422 -0.898 -2.593) 3.660 10.133 ( -8.319 10.135 2.128) 13.284 13.164 ( 20.973 1.077 -37.806) 43.247 19.703 ( 2.216 -0.911 -2.253) 3.289 34.861 ( -10.154 13.496 0.993) 16.919 37.051 ( 2.847 -11.647 1.327) 12.063 50.383 ( -18.362 -24.007 34.274) 45.697======================= Grid point 1349 (490/781) =======================q-point: (-0.20 0.30 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.528 ( -14.961 -5.025 7.902) 17.650 4.867 ( -20.759 2.140 0.639) 20.879 5.799 ( -10.297 15.751 -1.198) 18.856 6.892 ( -6.167 0.009 7.608) 9.793 7.759 ( -6.268 -11.345 0.887) 12.991 9.007 ( 5.186 0.836 -2.878) 5.989 10.083 ( -8.889 7.999 1.916) 12.111 13.378 ( 17.757 4.830 -37.429) 41.709 19.723 ( 2.402 -0.504 -3.553) 4.318 34.798 ( -11.733 10.772 1.060) 15.963 36.968 ( -0.041 -11.093 1.192) 11.157 50.166 ( -0.951 -15.227 39.022) 41.898======================= Grid point 1350 (491/781) =======================q-point: (-0.15 0.30 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.227 ( -19.358 -4.372 12.965) 23.705 4.532 ( -22.371 1.949 3.094) 22.668 5.753 ( -11.064 12.012 -0.410) 16.336 6.744 ( -14.902 -1.702 10.087) 18.076 7.506 ( -9.972 -12.204 0.003) 15.760 9.127 ( 8.264 2.052 -0.702) 8.544 10.008 ( -8.601 5.544 1.861) 10.401 13.566 ( 13.529 8.805 -37.695) 41.006 19.747 ( 2.559 -0.010 -4.916) 5.542 34.688 ( -12.239 7.369 1.180) 14.334 36.847 ( -3.197 -8.921 0.870) 9.516 50.361 ( 17.706 -8.404 50.819) 54.467======================= Grid point 1360 (492/781) =======================q-point: ( 0.35 0.35 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.697 ( -0.000 26.927 5.264) 27.437 3.961 ( -0.000 29.838 17.555) 34.619 5.028 ( 0.000 3.859 -1.091) 4.010 5.336 ( -0.000 20.118 21.914) 29.749 6.614 ( -0.000 15.721 24.776) 29.343 9.534 ( -0.000 3.305 0.132) 3.307 10.103 ( -0.000 11.591 -0.622) 11.608 13.144 ( 0.000 -43.626 -24.021) 49.802 19.673 ( 0.000 -6.763 -0.852) 6.817 34.078 ( -0.000 4.546 1.059) 4.668 35.616 ( 0.000 28.484 -3.712) 28.725 61.483 ( -0.000 -166.278 133.818) 213.438======================= Grid point 1361 (493/781) =======================q-point: ( 0.40 0.35 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.056 ( 9.342 25.871 4.911) 27.941 4.322 ( 3.957 21.290 20.771) 30.006 5.097 ( 4.124 4.251 -1.503) 6.110 5.647 ( 2.372 25.335 14.169) 29.125 6.850 ( 0.715 13.275 21.151) 24.981 9.575 ( 1.126 3.537 0.190) 3.717 10.213 ( 0.977 6.763 2.759) 7.370 12.616 ( -1.521 -39.446 -28.859) 48.900 19.611 ( -0.141 -4.605 -1.004) 4.715 34.149 ( 2.598 5.109 0.994) 5.817 35.907 ( 3.678 25.948 -2.090) 26.291 60.147 ( -30.889 -148.444 118.123) 192.205======================= Grid point 1362 (494/781) =======================q-point: ( 0.45 0.35 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.528 ( 14.447 24.770 4.919) 29.095 4.648 ( 5.439 11.868 22.203) 25.757 5.240 ( 7.908 5.703 -1.706) 9.898 6.003 ( 4.079 27.657 6.548) 28.713 7.052 ( 0.993 10.484 16.731) 19.769 9.642 ( 2.315 3.623 0.637) 4.346 10.253 ( -2.307 -2.023 7.665) 8.256 12.155 ( 2.477 -28.888 -36.173) 46.359 19.574 ( 0.375 -2.633 -0.746) 2.762 34.274 ( 4.989 6.512 1.061) 8.272 36.209 ( 5.107 21.220 -0.658) 21.836 58.536 ( -48.840 -127.010 100.312) 169.054======================= Grid point 1363 (495/781) =======================q-point: ( 0.50 0.35 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.036 ( 14.901 23.892 5.186) 28.632 4.893 ( 4.792 4.291 19.401) 20.439 5.465 ( 11.485 7.758 0.155) 13.861 6.345 ( 3.677 25.199 -0.657) 25.474 7.221 ( 2.002 8.103 12.521) 15.047 9.700 ( 0.577 -0.897 1.623) 1.942 10.158 ( -5.899 -6.461 9.491) 12.909 11.900 ( 10.527 -15.813 -40.581) 44.808 19.565 ( 1.012 -1.386 -0.174) 1.725 34.447 ( 6.152 8.646 1.164) 10.675 36.475 ( 5.381 15.021 0.419) 15.961 56.847 ( -57.163 -105.865 81.641) 145.397======================= Grid point 1364 (496/781) =======================q-point: ( 0.55 0.35 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.512 ( 11.640 22.640 5.596) 26.065 5.048 ( 3.804 0.483 13.971) 14.488 5.767 ( 13.220 8.974 3.307) 16.317 6.576 ( -0.117 17.926 -8.088) 19.667 7.389 ( 4.837 6.890 9.448) 12.655 9.577 ( -7.085 -14.322 3.060) 16.269 10.116 ( -1.540 6.291 6.554) 9.214 11.869 ( 16.972 -8.781 -39.515) 43.893 19.576 ( 1.458 -0.889 0.387) 1.751 34.650 ( 5.598 11.340 1.217) 12.704 36.680 ( 5.234 7.884 1.059) 9.523 55.206 ( -58.663 -86.452 63.846) 122.440======================= Grid point 1365 (497/781) =======================q-point: ( 0.60 0.35 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.876 ( 4.332 16.652 6.619) 18.436 5.170 ( 5.239 3.090 8.684) 10.602 6.089 ( 11.107 10.500 5.504) 16.246 6.620 ( -4.446 8.800 -14.495) 17.531 7.588 ( 7.502 5.109 6.947) 11.430 9.300 ( -8.183 -14.534 2.047) 16.805 10.223 ( -1.186 12.921 5.920) 14.262 11.969 ( 20.917 -7.169 -37.164) 43.245 19.597 ( 1.659 -0.899 0.605) 1.982 34.856 ( 3.204 14.259 1.186) 14.663 36.812 ( 5.141 0.420 1.295) 5.318 53.700 ( -55.153 -69.178 48.466) 100.879======================= Grid point 1366 (498/781) =======================q-point: ( 0.65 0.35 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.006 ( -2.043 3.883 7.086) 8.335 5.369 ( 4.399 11.941 4.983) 13.666 6.334 ( -3.866 16.403 1.865) 16.955 6.555 ( 3.876 -0.800 -12.735) 13.336 7.768 ( 7.206 0.748 4.660) 8.614 9.072 ( -5.338 -9.348 0.787) 10.794 10.342 ( -4.104 15.020 6.117) 16.729 12.142 ( 23.643 -6.229 -35.244) 42.894 19.617 ( 1.714 -1.093 0.300) 2.055 35.034 ( -0.807 16.805 1.099) 16.860 36.874 ( 5.345 -6.497 1.256) 8.507 52.392 ( -47.701 -54.065 36.701) 80.904======================= Grid point 1367 (499/781) =======================q-point: ( 0.70 0.35 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.987 ( -4.546 -0.750 6.290) 7.797 5.515 ( -2.986 10.190 2.297) 10.864 6.255 ( -14.367 14.592 -10.393) 22.964 6.713 ( 10.212 2.735 2.463) 10.855 7.864 ( 4.431 -4.650 2.929) 7.060 8.945 ( -1.865 -4.692 -0.573) 5.081 10.411 ( -7.565 14.299 5.778) 17.178 12.376 ( 25.023 -3.299 -33.530) 41.968 19.635 ( 1.759 -1.194 -0.505) 2.185 35.154 ( -5.773 18.019 1.018) 18.948 36.882 ( 5.741 -11.632 1.118) 13.020 51.338 ( -36.937 -41.013 29.468) 62.568======================= Grid point 1368 (500/781) =======================q-point: (-0.25 0.35 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.893 ( -7.360 -2.711 6.179) 9.984 5.456 ( -12.612 5.155 -1.464) 13.704 6.160 ( -11.155 16.632 -5.461) 20.758 6.897 ( 5.233 4.286 5.444) 8.683 7.847 ( 0.705 -9.349 1.710) 9.530 8.904 ( 1.027 -1.754 -2.006) 2.856 10.407 ( -10.000 11.481 4.820) 15.970 12.661 ( 24.335 1.708 -32.048) 40.276 19.650 ( 1.887 -1.042 -1.636) 2.706 35.191 ( -10.516 16.836 0.989) 19.874 36.858 ( 5.723 -13.664 1.047) 14.851 50.590 ( -23.319 -29.949 27.469) 46.854======================= Grid point 1369 (501/781) =======================q-point: (-0.20 0.35 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.735 ( -10.895 -3.327 7.293) 13.526 5.225 ( -18.056 3.472 -0.828) 18.405 6.127 ( -10.704 15.202 -1.396) 18.645 7.002 ( -0.981 4.432 7.350) 8.639 7.723 ( -3.009 -12.662 0.591) 13.028 8.926 ( 3.643 0.227 -2.728) 4.557 10.340 ( -10.906 7.835 3.710) 13.932 12.974 ( 21.475 7.455 -31.309) 38.691 19.667 ( 2.103 -0.623 -2.876) 3.617 35.135 ( -13.741 13.013 1.025) 18.953 36.822 ( 4.476 -12.163 1.114) 13.008 50.194 ( -7.312 -20.928 31.224) 38.294======================= Grid point 1370 (502/781) =======================q-point: (-0.15 0.35 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.525 ( -14.421 -2.326 10.678) 18.094 4.930 ( -20.603 2.535 2.458) 20.904 6.063 ( -12.093 11.161 0.117) 16.456 6.991 ( -9.118 3.322 9.216) 13.383 7.517 ( -5.960 -13.006 -0.731) 14.325 9.013 ( 6.715 1.610 -1.782) 7.131 10.228 ( -10.597 4.248 2.775) 11.749 13.279 ( 17.029 12.729 -31.689) 38.160 19.688 ( 2.306 -0.052 -4.085) 4.691 34.996 ( -14.892 7.757 1.104) 16.828 36.780 ( 1.731 -8.237 1.213) 8.504 50.186 ( 10.603 -14.161 41.100) 44.746======================= Grid point 1381 (503/781) =======================q-point: ( 0.40 0.40 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.238 ( -0.000 24.861 4.236) 25.220 4.559 ( -0.000 15.856 22.804) 27.775 5.090 ( 0.000 3.392 -1.494) 3.706 5.942 ( -0.000 29.483 9.103) 30.856 7.043 ( -0.000 11.810 17.496) 21.109 9.593 ( -0.000 2.762 -0.096) 2.764 10.279 ( -0.000 3.484 5.829) 6.791 12.136 ( 0.000 -37.189 -30.196) 47.905 19.569 ( 0.000 -3.334 -0.514) 3.374 34.174 ( -0.000 4.527 0.735) 4.587 36.129 ( -0.000 25.774 -0.779) 25.785 59.403 ( -0.000 -141.249 103.203) 174.934======================= Grid point 1382 (504/781) =======================q-point: ( 0.45 0.40 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.570 ( 9.331 23.447 3.923) 25.539 4.785 ( 1.513 9.311 23.446) 25.273 5.160 ( 5.262 3.386 -1.676) 6.478 6.273 ( 0.896 31.019 3.794) 31.263 7.206 ( -0.224 9.827 13.456) 16.664 9.634 ( 1.843 2.371 0.107) 3.005 10.291 ( -1.817 -5.782 10.496) 12.120 11.708 ( 1.947 -26.489 -33.969) 43.120 19.545 ( 0.249 -1.899 0.105) 1.918 34.253 ( 3.832 4.842 0.646) 6.208 36.378 ( 1.010 22.944 0.285) 22.968 58.253 ( -22.845 -126.800 86.813) 155.360======================= Grid point 1383 (505/781) =======================q-point: ( 0.50 0.40 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.017 ( 14.979 21.885 3.964) 26.815 4.960 ( 1.473 3.662 20.791) 21.162 5.325 ( 10.750 3.917 -0.651) 11.460 6.581 ( -0.069 28.785 -1.997) 28.854 7.332 ( -0.241 8.081 10.239) 13.046 9.676 ( 0.789 -2.165 1.227) 2.610 10.189 ( -2.688 -12.019 11.245) 16.677 11.466 ( 6.944 -11.727 -34.575) 37.164 19.541 ( 0.638 -0.887 0.784) 1.344 34.403 ( 7.357 5.954 0.670) 9.489 36.596 ( 0.457 18.162 0.993) 18.195 56.883 ( -37.453 -109.220 69.726) 134.884======================= Grid point 1384 (506/781) =======================q-point: ( 0.55 0.40 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.505 ( 15.970 20.329 4.254) 26.199 5.066 ( 1.012 0.037 15.767) 15.800 5.587 ( 15.223 4.046 1.232) 15.799 6.785 ( -3.721 22.475 -8.683) 24.379 7.447 ( 1.097 7.613 8.677) 11.596 9.552 ( -5.898 -15.621 3.158) 16.993 10.174 ( 3.745 1.643 7.527) 8.566 11.419 ( 10.874 -5.183 -30.927) 33.190 19.552 ( 0.933 -0.487 1.305) 1.677 34.616 ( 9.523 7.842 0.718) 12.357 36.746 ( -0.710 11.955 1.315) 12.048 55.440 ( -45.024 -91.139 53.211) 114.738======================= Grid point 1385 (507/781) =======================q-point: ( 0.60 0.40 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.949 ( 10.635 17.258 5.734) 21.067 5.133 ( 3.378 -0.766 9.896) 10.485 5.911 ( 17.438 3.833 2.140) 17.982 6.817 ( -8.727 15.282 -13.778) 22.351 7.585 ( 2.898 6.863 7.284) 10.419 9.284 ( -6.744 -16.188 2.585) 17.726 10.352 ( 4.699 11.596 7.846) 14.768 11.468 ( 14.367 -5.927 -28.497) 32.459 19.570 ( 1.063 -0.567 1.449) 1.885 34.872 ( 9.670 10.492 0.731) 14.288 36.812 ( -1.709 4.736 1.300) 5.201 54.031 ( -46.871 -74.003 38.638) 95.740======================= Grid point 1386 (508/781) =======================q-point: ( 0.65 0.40 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.090 ( -1.918 0.097 9.069) 9.270 5.378 ( 10.461 12.583 2.345) 16.531 6.247 ( 16.987 2.841 2.065) 17.346 6.714 ( -12.188 13.011 -14.269) 22.835 7.713 ( 3.206 2.853 5.225) 6.761 9.062 ( -4.646 -10.899 1.530) 11.946 10.574 ( -0.185 17.032 10.076) 19.790 11.576 ( 19.838 -7.743 -28.144) 35.292 19.586 ( 1.094 -0.841 1.105) 1.768 35.140 ( 7.304 13.837 0.710) 15.662 36.794 ( -1.737 -3.071 1.070) 3.686 52.741 ( -43.990 -58.525 27.224) 78.112======================= Grid point 1387 (509/781) =======================q-point: ( 0.70 0.40 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.064 ( -3.273 -2.210 6.870) 7.925 5.619 ( 3.412 10.034 -0.165) 10.600 6.475 ( 2.723 1.468 -7.387) 8.009 6.656 ( -1.103 15.910 -0.688) 15.963 7.775 ( 2.197 -3.250 3.298) 5.125 8.928 ( -2.180 -5.854 0.293) 6.253 10.717 ( -7.341 16.226 10.249) 20.548 11.794 ( 25.700 -4.231 -26.903) 37.446 19.599 ( 1.145 -1.018 0.318) 1.565 35.377 ( 1.894 17.415 0.709) 17.532 36.713 ( 0.191 -10.687 0.782) 10.717 51.640 ( -37.054 -45.009 19.950) 61.619======================= Grid point 1388 (510/781) =======================q-point: (-0.25 0.40 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.993 ( -4.999 -2.913 5.606) 8.056 5.663 ( -6.265 5.345 -3.147) 8.816 6.439 ( -6.823 11.138 -5.312) 14.101 6.876 ( 6.696 9.926 4.769) 12.888 7.745 ( 0.533 -9.425 1.716) 9.594 8.870 ( -0.004 -2.368 -1.006) 2.573 10.720 ( -11.210 10.338 7.621) 17.047 12.147 ( 26.975 4.263 -24.117) 36.434 19.609 ( 1.305 -0.912 -0.745) 1.758 35.524 ( -6.580 18.977 0.768) 20.100 36.622 ( 4.617 -15.586 0.611) 16.267 50.789 ( -26.550 -33.587 17.543) 46.268======================= Grid point 1389 (511/781) =======================q-point: (-0.20 0.40 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.883 ( -7.230 -2.718 5.698) 9.598 5.518 ( -13.271 2.677 -2.271) 13.727 6.424 ( -8.364 12.541 -0.570) 15.085 7.073 ( 3.090 9.026 5.482) 11.003 7.627 ( -1.256 -14.117 0.284) 14.176 8.870 ( 2.066 -0.145 -1.923) 2.826 10.616 ( -12.106 4.735 5.097) 13.963 12.576 ( 24.325 12.209 -22.745) 35.470 19.621 ( 1.577 -0.488 -1.877) 2.500 35.511 ( -14.452 14.197 0.834) 20.276 36.592 ( 8.370 -13.237 0.724) 15.678 50.242 ( -12.952 -24.383 20.462) 34.365======================= Grid point 1390 (512/781) =======================q-point: (-0.15 0.40 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.744 ( -9.618 -1.502 7.741) 12.437 5.276 ( -17.008 1.003 1.242) 17.083 6.368 ( -11.678 9.515 1.459) 15.134 7.183 ( -3.466 7.731 7.087) 11.046 7.446 ( -2.184 -14.509 -1.735) 14.775 8.923 ( 4.643 1.192 -1.945) 5.173 10.456 ( -11.722 0.706 3.390) 12.223 13.010 ( 19.748 17.934 -23.569) 35.597 19.639 ( 1.864 0.138 -2.925) 3.471 35.338 ( -17.108 5.652 0.896) 18.040 36.638 ( 7.199 -6.101 1.080) 9.498 50.047 ( 3.190 -17.612 28.873) 33.971======================= Grid point 1402 (513/781) =======================q-point: ( 0.45 0.45 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.724 ( -0.000 22.103 3.233) 22.339 4.937 ( -0.000 5.133 23.910) 24.455 5.133 ( 0.000 2.269 -1.766) 2.875 6.582 ( -0.000 31.471 0.198) 31.471 7.343 ( -0.000 8.723 9.896) 13.192 9.639 ( 0.000 2.111 -0.124) 2.114 10.243 ( -0.000 -18.118 13.129) 22.375 11.360 ( 0.000 -13.535 -31.844) 34.602 19.531 ( -0.000 -0.961 0.965) 1.362 34.262 ( -0.000 4.114 0.390) 4.133 36.596 ( -0.000 21.906 1.006) 21.929 57.542 ( -0.000 -118.764 71.694) 138.726======================= Grid point 1403 (514/781) =======================q-point: ( 0.50 0.45 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.023 ( 9.270 20.375 2.908) 22.572 5.055 ( -0.087 1.162 21.401) 21.433 5.201 ( 6.469 1.730 -0.559) 6.720 6.862 ( -1.064 28.414 -4.955) 28.863 7.452 ( -0.516 8.087 7.812) 11.256 9.656 ( -0.557 -1.706 0.733) 1.939 10.063 ( 1.585 -24.384 9.623) 26.263 11.215 ( 2.329 0.191 -24.582) 24.692 19.533 ( 0.266 -0.265 1.726) 1.766 34.345 ( 4.931 4.177 0.286) 6.469 36.793 ( -1.152 18.694 1.392) 18.781 56.534 ( -17.561 -105.725 55.858) 120.857======================= Grid point 1404 (515/781) =======================q-point: ( 0.55 0.45 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.434 ( 15.147 18.223 2.819) 23.863 5.120 ( -0.406 -1.327 16.430) 16.488 5.377 ( 12.415 0.999 1.561) 12.553 7.034 ( -4.154 21.348 -11.539) 24.619 7.556 ( -0.387 9.194 7.819) 12.075 9.502 ( -6.034 -17.732 3.389) 19.034 10.048 ( 10.941 -5.461 3.809) 12.808 11.209 ( 2.689 4.001 -16.776) 17.455 19.545 ( 0.425 -0.025 2.228) 2.268 34.512 ( 9.539 4.882 0.252) 10.719 36.920 ( -3.447 13.955 1.445) 14.447 55.360 ( -29.387 -90.309 40.404) 103.207======================= Grid point 1405 (516/781) =======================q-point: ( 0.60 0.45 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.882 ( 16.579 15.393 2.585) 22.770 5.145 ( -0.804 -2.776 12.746) 13.069 5.642 ( 17.065 0.728 1.572) 17.153 7.051 ( -7.642 14.352 -15.672) 22.583 7.673 ( -0.368 9.324 7.152) 11.757 9.234 ( -5.417 -17.254 3.262) 18.377 10.286 ( 15.281 4.278 2.988) 16.147 11.229 ( 1.959 2.459 -11.777) 12.190 19.561 ( 0.447 -0.183 2.334) 2.383 34.757 ( 12.872 6.179 0.214) 14.280 36.953 ( -6.088 8.210 1.234) 10.295 54.129 ( -35.822 -74.461 26.551) 86.790======================= Grid point 1406 (517/781) =======================q-point: ( 0.65 0.45 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.138 ( -1.318 -3.531 9.391) 10.119 5.287 ( 14.475 11.509 1.438) 18.548 5.966 ( 19.003 1.158 1.480) 19.096 6.967 ( -9.472 11.948 -15.519) 21.756 7.760 ( -1.233 5.602 5.407) 7.883 9.029 ( -3.561 -11.584 2.555) 12.385 10.650 ( 16.523 11.749 4.723) 20.817 11.224 ( 2.053 -1.754 -10.324) 10.672 19.573 ( 0.403 -0.502 1.996) 2.097 35.059 ( 14.330 8.093 0.151) 16.458 36.884 ( -8.400 1.853 0.879) 8.647 52.935 ( -37.400 -59.438 15.469) 71.910======================= Grid point 1407 (518/781) =======================q-point: ( 0.70 0.45 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.104 ( -1.996 -3.823 6.375) 7.697 5.586 ( 9.804 6.942 -0.990) 12.054 6.289 ( 15.927 1.742 1.484) 16.090 6.885 ( -7.502 13.402 -11.104) 18.953 7.771 ( -2.541 -0.513 3.654) 4.480 8.905 ( -1.826 -6.359 1.490) 6.782 11.040 ( -2.430 20.047 16.314) 25.960 11.240 ( 20.787 -7.335 -20.412) 30.042 19.580 ( 0.412 -0.710 1.282) 1.522 35.388 ( 13.381 10.838 0.107) 17.220 36.718 ( -9.576 -4.962 0.520) 10.798 51.855 ( -34.587 -45.977 8.158) 58.110======================= Grid point 1408 (519/781) =======================q-point: ( 0.75 0.45 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.046 ( -2.928 -3.697 4.146) 6.280 5.727 ( 2.069 2.513 -3.388) 4.698 6.512 ( 6.278 4.591 0.442) 7.790 6.934 ( 1.011 14.061 -3.337) 14.487 7.690 ( -3.692 -7.543 2.053) 8.645 8.848 ( -0.407 -2.594 0.303) 2.644 11.007 ( -10.087 1.788 5.401) 11.581 11.691 ( 26.746 13.619 -9.764) 31.562 19.585 ( 0.568 -0.617 0.344) 0.906 35.705 ( 8.303 15.221 0.178) 17.339 36.483 ( -7.487 -12.738 0.264) 14.778 50.960 ( -27.761 -34.489 5.378) 44.600======================= Grid point 1409 (520/781) =======================q-point: (-0.20 0.45 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.968 ( -4.092 -3.034 3.246) 6.041 5.685 ( -6.033 -0.584 -2.823) 6.686 6.620 ( -1.197 9.152 0.997) 9.284 7.120 ( 4.837 11.865 1.176) 12.867 7.522 ( -3.834 -14.230 0.487) 14.746 8.839 ( 0.880 -0.207 -0.673) 1.128 10.845 ( -10.357 -2.635 3.428) 11.223 12.252 ( 24.001 20.390 -9.870) 33.003 19.592 ( 0.878 -0.180 -0.637) 1.100 35.885 ( -10.531 16.439 0.422) 19.528 36.301 ( 7.942 -16.448 0.187) 18.266 50.310 ( -17.314 -25.247 7.591) 31.540======================= Grid point 1410 (521/781) =======================q-point: (-0.15 0.45 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.877 ( -5.373 -1.772 4.098) 6.986 5.513 ( -11.378 -2.680 0.258) 11.692 6.643 ( -8.547 9.299 2.555) 12.886 7.300 ( 2.928 -0.580 -1.818) 3.495 7.313 ( -2.273 -6.264 3.216) 7.399 8.868 ( 2.527 1.037 -1.221) 2.992 10.641 ( -10.622 -4.873 2.652) 11.984 12.802 ( 20.237 24.183 -12.998) 34.108 19.607 ( 1.248 0.488 -1.526) 2.031 35.671 ( -18.582 -1.061 0.508) 18.619 36.437 ( 12.563 -0.408 0.623) 12.585 49.959 ( -3.764 -18.502 14.894) 24.048======================= Grid point 1423 (522/781) =======================q-point: ( 0.50 0.50 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.143 ( -0.000 18.832 2.234) 18.964 5.140 ( -0.000 -1.964 22.300) 22.386 5.147 ( 0.000 0.504 -1.847) 1.915 7.103 ( 0.000 23.707 -10.359) 25.872 7.568 ( -0.000 9.409 7.310) 11.915 9.674 ( -0.000 1.477 0.081) 1.479 9.776 ( -0.000 -32.043 6.307) 32.658 11.176 ( 0.000 7.905 -12.628) 14.898 19.539 ( -0.000 0.181 2.516) 2.522 34.337 ( -0.000 3.357 0.071) 3.358 36.985 ( -0.000 16.842 1.483) 16.907 55.874 ( -0.000 -96.819 41.089) 105.177======================= Grid point 1424 (523/781) =======================q-point: ( 0.55 0.50 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.403 ( 8.973 16.760 1.818) 19.097 5.159 ( 0.676 -2.146 8.671) 8.958 5.226 ( 5.813 -2.651 9.897) 11.780 7.224 ( -2.581 15.790 -15.968) 22.604 7.697 ( -0.592 11.885 7.596) 14.118 9.427 ( -5.952 -22.773 4.072) 23.887 9.803 ( 11.135 -3.131 0.646) 11.584 11.232 ( -0.569 9.490 -3.468) 10.120 19.553 ( 0.086 0.286 3.018) 3.033 34.417 ( 5.812 3.172 -0.042) 6.622 37.116 ( -2.801 13.345 1.289) 13.696 54.996 ( -13.848 -84.478 26.504) 89.614======================= Grid point 1425 (524/781) =======================q-point: ( 0.60 0.50 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.761 ( 14.309 13.517 1.217) 19.721 5.171 ( -0.262 -4.161 11.907) 12.616 5.386 ( 13.081 -2.143 3.678) 13.756 7.216 ( -5.104 10.491 -18.203) 21.621 7.820 ( -1.751 11.025 6.271) 12.804 9.160 ( -4.159 -17.420 4.145) 18.383 10.019 ( 16.373 -0.095 -0.788) 16.392 11.298 ( -2.733 9.142 3.906) 10.311 19.568 ( 0.000 0.091 3.146) 3.147 34.594 ( 11.256 3.390 -0.137) 11.756 37.153 ( -6.364 8.900 0.902) 10.978 53.997 ( -23.462 -70.591 13.248) 75.559======================= Grid point 1426 (525/781) =======================q-point: ( 0.65 0.50 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.095 ( 9.287 2.540 0.198) 9.630 5.188 ( 4.957 0.753 10.020) 11.205 5.655 ( 18.778 -0.195 2.038) 18.889 7.140 ( -6.489 8.911 -17.440) 20.632 7.886 ( -3.512 6.924 4.601) 9.025 8.981 ( -2.571 -11.096 3.812) 12.011 10.341 ( 21.820 1.466 -4.086) 22.247 11.344 ( -5.797 9.446 11.153) 15.723 19.577 ( -0.159 -0.214 2.887) 2.900 34.855 ( 15.525 3.830 -0.259) 15.992 37.080 ( -10.050 4.140 0.446) 10.878 52.961 ( -28.775 -56.655 2.439) 63.590======================= Grid point 1427 (526/781) =======================q-point: ( 0.70 0.50 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.102 ( -0.476 -5.307 4.385) 6.901 5.436 ( 12.621 2.546 0.581) 12.888 6.009 ( 20.091 2.238 2.373) 20.354 7.059 ( -5.814 9.401 -14.274) 18.054 7.864 ( -5.696 1.372 3.214) 6.682 8.880 ( -1.344 -5.920 2.934) 6.743 10.719 ( 24.459 -1.402 -11.182) 26.931 11.395 ( -7.309 14.540 20.019) 25.799 19.581 ( -0.253 -0.388 2.314) 2.360 35.180 ( 18.219 4.250 -0.391) 18.712 36.901 ( -13.411 -0.294 0.058) 13.414 51.969 ( -29.876 -43.721 -4.925) 53.183======================= Grid point 1428 (527/781) =======================q-point: (-0.25 -0.50 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.049 ( -1.096 -5.057 1.956) 5.532 5.623 ( 8.956 -1.675 -1.857) 9.298 6.358 ( 16.148 3.169 2.664) 16.670 7.042 ( -1.657 10.544 -9.360) 14.196 7.742 ( -8.059 -4.751 2.098) 9.587 8.836 ( -0.467 -2.154 1.807) 2.850 10.940 ( 11.295 -9.532 -11.487) 18.719 11.635 ( 5.399 25.135 19.754) 32.421 19.581 ( -0.171 -0.259 1.553) 1.584 35.538 ( 19.348 4.061 -0.459) 19.774 36.631 ( -16.227 -3.480 -0.154) 16.597 51.090 ( -26.897 -32.480 -8.053) 42.933======================= Grid point 1429 (528/781) =======================q-point: (-0.20 -0.50 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.986 ( -1.470 -4.278 0.228) 4.529 5.680 ( 2.340 -4.857 -2.077) 5.778 6.619 ( 9.745 4.338 1.312) 10.747 7.148 ( 4.354 10.704 -3.674) 12.126 7.519 ( -9.966 -10.824 1.047) 14.751 8.830 ( 0.161 0.271 0.769) 0.831 10.884 ( -0.991 -10.311 -3.442) 10.915 12.145 ( 15.557 28.059 8.735) 33.251 19.584 ( 0.116 0.211 0.746) 0.784 35.889 ( 19.218 -0.749 -0.370) 19.236 36.303 ( -18.471 -1.166 -0.143) 18.508 50.391 ( -20.041 -23.385 -6.447) 31.465======================= Grid point 1430 (529/781) =======================q-point: (-0.15 0.50 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2010Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.922 ( -1.794 -3.107 -0.000) 3.587 5.598 ( -4.177 -7.236 0.000) 8.355 6.794 ( 4.165 7.214 -0.000) 8.330 7.196 ( -9.323 -16.148 -0.000) 18.646 7.352 ( 5.126 8.878 -0.000) 10.251 8.849 ( 0.844 1.463 -0.000) 1.689 10.716 ( -5.855 -10.142 -0.000) 11.711 12.721 ( 16.853 29.190 0.000) 33.706 19.596 ( 0.525 0.910 -0.000) 1.051 35.865 ( -10.441 -18.084 -0.000) 20.881 36.290 ( 8.483 14.692 -0.000) 16.965 49.929 ( -9.679 -16.765 -0.000) 19.358======================= Grid point 1445 (530/781) =======================q-point: ( 0.55 0.55 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.487 ( -0.000 15.064 1.135) 15.106 5.123 ( 0.000 -1.720 -1.622) 2.364 5.211 ( -0.000 -6.883 19.504) 20.683 7.303 ( 0.000 10.169 -18.922) 21.481 7.852 ( -0.000 12.591 6.351) 14.102 9.264 ( -0.000 -22.890 4.685) 23.365 9.699 ( -0.000 0.911 0.446) 1.014 11.347 ( -0.000 10.939 6.039) 12.495 19.569 ( -0.000 0.339 3.561) 3.577 34.392 ( 0.000 2.318 -0.205) 2.327 37.265 ( -0.000 10.850 0.887) 10.886 54.407 ( -0.000 -74.897 12.599) 75.949======================= Grid point 1446 (531/781) =======================q-point: ( 0.60 0.55 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.696 ( 8.058 12.166 0.331) 14.596 5.138 ( 3.803 -2.965 1.217) 4.973 5.224 ( 3.511 -7.736 14.638) 16.925 7.291 ( -2.336 7.398 -19.710) 21.181 7.973 ( -1.403 9.813 4.539) 10.903 9.070 ( -2.208 -15.653 5.136) 16.621 9.791 ( 9.498 0.191 0.007) 9.500 11.477 ( -2.008 11.204 13.852) 17.928 19.584 ( -0.153 0.175 3.789) 3.796 34.466 ( 6.410 1.898 -0.327) 6.692 37.325 ( -3.895 7.315 0.350) 8.295 53.659 ( -11.159 -63.098 -0.205) 64.078======================= Grid point 1447 (532/781) =======================q-point: ( 0.65 0.55 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.951 ( 10.473 5.105 -1.909) 11.806 5.155 ( 1.580 -5.855 10.177) 11.847 5.363 ( 15.133 -2.161 3.650) 15.716 7.231 ( -3.837 6.607 -18.691) 20.193 8.023 ( -3.312 5.385 3.046) 7.018 8.935 ( -1.804 -9.248 5.127) 10.727 10.007 ( 16.176 -0.140 -2.173) 16.322 11.601 ( -4.340 11.931 20.955) 24.501 19.594 ( -0.432 -0.045 3.697) 3.722 34.640 ( 12.312 1.591 -0.474) 12.423 37.276 ( -8.114 3.502 -0.187) 8.839 52.825 ( -19.077 -50.542 -10.830) 55.097======================= Grid point 1448 (533/781) =======================q-point: (-0.30 -0.45 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.045 ( 2.196 -5.713 -0.000) 6.120 5.242 ( 10.397 -3.237 4.364) 11.731 5.690 ( 20.797 2.206 2.434) 21.055 7.160 ( -4.000 6.462 -16.140) 17.840 7.986 ( -5.721 0.515 2.006) 6.085 8.863 ( -1.125 -4.409 4.466) 6.376 10.296 ( 19.963 -1.524 -6.017) 20.905 11.735 ( -5.383 14.750 27.109) 31.328 19.597 ( -0.677 -0.122 3.337) 3.407 34.900 ( 16.941 1.024 -0.655) 16.985 37.121 ( -12.063 0.194 -0.597) 12.079 51.974 ( -23.450 -38.432 -18.284) 48.592======================= Grid point 1449 (534/781) =======================q-point: (-0.25 -0.45 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.998 ( 0.593 -6.952 -0.790) 7.021 5.401 ( 11.913 -5.878 0.057) 13.285 6.079 ( 20.524 2.363 2.419) 20.801 7.114 ( -1.887 6.485 -12.474) 14.185 7.853 ( -8.634 -4.381 1.408) 9.784 8.839 ( -0.618 -0.842 3.358) 3.517 10.562 ( 17.600 -5.485 -8.856) 20.452 11.945 ( -1.972 20.696 29.353) 35.970 19.596 ( -0.743 0.087 2.795) 2.893 35.212 ( 19.730 -0.554 -0.807) 19.754 36.879 ( -15.158 -1.509 -0.791) 15.254 51.171 ( -24.098 -27.668 -21.750) 42.653======================= Grid point 1450 (535/781) =======================q-point: (-0.20 -0.45 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.935 ( 0.699 -6.489 -2.968) 7.169 5.509 ( 8.919 -8.636 -1.162) 12.469 6.416 ( 16.441 0.432 1.096) 16.483 7.149 ( 3.352 7.111 -7.804) 11.077 7.622 ( -11.708 -8.666 1.147) 14.611 8.846 ( -0.395 1.531 2.178) 2.691 10.684 ( 9.054 -9.753 -6.679) 14.890 12.310 ( 5.653 26.758 23.542) 36.085 19.597 ( -0.569 0.607 2.166) 2.321 35.521 ( 19.347 -5.351 -0.812) 20.090 36.601 ( -15.907 0.851 -0.761) 15.948 50.479 ( -20.953 -18.885 -20.675) 34.973======================= Grid point 1466 (536/781) =======================q-point: ( 0.60 0.60 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.735 ( 0.000 9.535 -0.681) 9.559 5.063 ( 0.000 -2.901 -0.501) 2.944 5.174 ( -0.000 -10.573 15.387) 18.670 7.298 ( 0.000 5.950 -20.052) 20.916 8.079 ( -0.000 6.210 2.811) 6.816 8.976 ( -0.000 -11.314 5.884) 12.753 9.716 ( -0.000 0.386 0.826) 0.912 11.675 ( -0.000 11.787 21.735) 24.726 19.603 ( -0.000 0.111 4.201) 4.202 34.423 ( 0.000 1.069 -0.445) 1.158 37.417 ( 0.000 4.461 -0.286) 4.470 53.159 ( 0.000 -53.106 -12.737) 54.612======================= Grid point 1467 (537/781) =======================q-point: (-0.35 -0.40 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.844 ( 5.437 2.249 -2.701) 6.474 5.092 ( 2.893 -4.812 5.479) 7.845 5.153 ( 7.111 -6.289 7.713) 12.231 7.262 ( -1.689 5.198 -19.302) 20.060 8.112 ( -1.793 1.952 1.526) 3.059 8.903 ( -0.945 -6.317 6.135) 8.856 9.794 ( 8.350 -0.095 0.152) 8.352 11.870 ( -2.160 12.354 28.535) 31.169 19.617 ( -0.359 0.029 4.357) 4.372 34.485 ( 6.680 0.443 -0.577) 6.720 37.405 ( -4.411 1.213 -0.862) 4.655 52.547 ( -9.221 -41.889 -23.297) 48.811======================= Grid point 1468 (538/781) =======================q-point: (-0.30 -0.40 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.914 ( 5.609 -5.352 -4.268) 8.850 5.073 ( 4.487 -10.591 7.323) 13.636 5.394 ( 17.468 2.735 2.308) 17.831 7.201 ( -2.433 4.027 -17.459) 18.082 8.067 ( -3.996 -2.182 0.742) 4.613 8.869 ( -1.015 -2.088 5.706) 6.160 9.980 ( 14.133 -1.021 -2.030) 14.315 12.066 ( -3.498 13.965 33.851) 36.786 19.624 ( -0.756 0.088 4.268) 4.335 34.647 ( 12.596 -0.377 -0.760) 12.624 37.288 ( -8.621 -1.636 -1.254) 8.864 51.875 ( -15.919 -30.666 -30.910) 46.360======================= Grid point 1469 (539/781) =======================q-point: (-0.25 -0.40 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.887 ( 2.327 -9.150 -3.840) 10.192 5.127 ( 11.139 -10.344 1.540) 15.279 5.756 ( 20.647 2.125 2.009) 20.853 7.135 ( -1.462 2.449 -14.629) 14.905 7.938 ( -6.788 -6.184 0.490) 9.196 8.869 ( -0.927 1.249 4.588) 4.845 10.208 ( 15.947 -3.113 -4.549) 16.872 12.296 ( -2.622 17.418 36.088) 40.157 19.627 ( -1.017 0.398 3.969) 4.117 34.885 ( 16.821 -1.944 -0.957) 16.960 37.083 ( -11.892 -3.187 -1.391) 12.390 51.197 ( -19.632 -20.467 -34.730) 44.838======================= Grid point 1470 (540/781) =======================q-point: (-0.20 -0.40 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.813 ( 2.421 -9.641 -5.916) 11.567 5.223 ( 12.126 -11.938 -0.963) 17.044 6.113 ( 19.191 -0.694 1.213) 19.241 7.108 ( 2.473 1.635 -11.007) 11.400 7.723 ( -9.798 -9.437 0.707) 13.622 8.892 ( -0.993 3.519 3.186) 4.850 10.390 ( 12.700 -6.548 -5.196) 15.204 12.606 ( 1.153 22.198 32.794) 39.617 19.630 ( -1.037 0.965 3.506) 3.782 35.147 ( 18.076 -5.341 -1.059) 18.878 36.835 ( -12.981 -2.103 -1.288) 13.213 50.570 ( -20.001 -12.083 -34.137) 41.369======================= Grid point 1487 (541/781) =======================q-point: (-0.35 -0.35 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.781 ( 0.000 -3.982 -3.366) 5.215 5.030 ( -0.000 -14.002 9.183) 16.745 5.066 ( -0.000 3.469 1.626) 3.831 7.246 ( 0.000 3.672 -19.292) 19.639 8.131 ( -0.000 -1.761 0.468) 1.823 8.890 ( -0.000 -2.873 6.561) 7.162 9.726 ( -0.000 -0.176 1.053) 1.067 12.129 ( -0.000 12.427 35.039) 37.177 19.638 ( -0.000 0.104 4.811) 4.813 34.426 ( 0.000 -0.298 -0.666) 0.730 37.436 ( 0.000 -1.664 -1.420) 2.188 52.155 ( 0.000 -31.752 -33.951) 46.485======================= Grid point 1488 (542/781) =======================q-point: (-0.30 -0.35 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.743 ( 4.302 -8.306 -4.001) 10.173 4.923 ( 1.507 -15.250 5.107) 16.153 5.198 ( 9.918 3.915 1.644) 10.789 7.187 ( -1.085 1.098 -18.315) 18.380 8.081 ( -1.961 -5.273 -0.091) 5.627 8.899 ( -0.616 0.721 6.176) 6.248 9.788 ( 7.175 -0.698 0.319) 7.216 12.381 ( -1.610 13.019 39.986) 42.083 19.655 ( -0.495 0.299 5.022) 5.055 34.474 ( 6.611 -1.083 -0.806) 6.747 37.363 ( -4.361 -4.305 -1.740) 6.370 51.683 ( -7.898 -21.284 -41.828) 47.592======================= Grid point 1489 (543/781) =======================q-point: (-0.25 -0.35 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.712 ( 4.284 -11.255 -5.833) 13.381 4.850 ( 7.294 -15.354 1.416) 17.057 5.465 ( 16.630 2.328 1.500) 16.859 7.098 ( -0.847 -2.168 -16.111) 16.279 7.960 ( -4.369 -8.732 -0.179) 9.766 8.929 ( -1.053 3.839 4.919) 6.328 9.938 ( 11.703 -1.814 -1.457) 11.932 12.640 ( -1.913 14.788 42.138) 44.699 19.666 ( -0.941 0.692 4.967) 5.103 34.614 ( 12.087 -2.344 -0.995) 12.352 37.200 ( -7.932 -5.944 -1.762) 10.067 51.170 ( -13.839 -11.587 -46.062) 49.472======================= Grid point 1490 (544/781) =======================q-point: (-0.20 -0.35 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.623 ( 3.517 -13.541 -8.215) 16.224 4.877 ( 12.284 -15.064 -1.475) 19.493 5.786 ( 18.882 -0.486 1.182) 18.925 7.011 ( 1.841 -4.765 -12.954) 13.925 7.764 ( -6.963 -11.534 0.110) 13.473 8.971 ( -1.484 5.824 3.283) 6.848 10.110 ( 12.234 -4.014 -2.905) 13.200 12.934 ( -0.335 17.821 39.733) 43.548 19.676 ( -1.195 1.282 4.647) 4.966 34.811 ( 15.202 -4.717 -1.147) 15.959 36.984 ( -9.709 -5.699 -1.531) 11.362 50.656 ( -17.225 -3.581 -45.948) 49.201======================= Grid point 1508 (545/781) =======================q-point: (-0.30 -0.30 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.593 ( 0.000 -11.566 -3.218) 12.005 4.760 ( 0.000 -17.890 0.966) 17.916 5.158 ( -0.000 3.805 1.032) 3.943 7.118 ( 0.000 -2.922 -18.179) 18.412 8.031 ( 0.000 -8.340 -0.449) 8.352 8.950 ( -0.000 3.942 5.558) 6.814 9.724 ( -0.000 -0.850 0.995) 1.308 12.679 ( -0.000 12.448 44.723) 46.423 19.683 ( -0.000 0.589 5.514) 5.546 34.401 ( 0.000 -1.677 -0.880) 1.894 37.338 ( 0.000 -6.881 -1.928) 7.146 51.415 ( 0.000 -11.349 -50.107) 51.377======================= Grid point 1509 (546/781) =======================q-point: (-0.25 -0.30 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.495 ( 4.010 -13.773 -4.429) 15.013 4.594 ( 3.032 -19.488 -2.654) 19.901 5.272 ( 9.119 2.294 0.839) 9.441 6.997 ( -0.205 -7.498 -16.547) 18.167 7.915 ( -2.132 -11.405 -0.477) 11.612 9.014 ( -0.825 6.693 3.994) 7.838 9.770 ( 6.114 -1.395 0.243) 6.276 12.967 ( -0.871 12.728 46.872) 48.577 19.708 ( -0.561 1.017 5.677) 5.795 34.431 ( 6.218 -2.549 -1.014) 6.796 37.221 ( -3.807 -8.664 -1.775) 9.628 51.088 ( -7.123 -1.994 -54.862) 55.358======================= Grid point 1510 (547/781) =======================q-point: (-0.20 -0.30 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.375 ( 3.440 -17.905 -9.686) 20.645 4.517 ( 10.293 -17.812 -2.521) 20.726 5.496 ( 15.131 -0.062 0.787) 15.151 6.854 ( 1.489 -11.403 -13.662) 17.858 7.735 ( -4.342 -13.972 -0.302) 14.635 9.077 ( -1.702 8.030 2.212) 8.502 9.887 ( 9.470 -2.530 -1.139) 9.868 13.259 ( -0.562 14.077 44.929) 47.086 19.728 ( -1.025 1.583 5.476) 5.791 34.542 ( 10.872 -4.118 -1.159) 11.683 37.040 ( -6.243 -8.998 -1.351) 11.035 50.727 ( -12.748 5.749 -55.291) 57.032======================= Grid point 1529 (548/781) =======================q-point: (-0.25 -0.25 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.299 ( 0.000 -16.216 -2.860) 16.466 4.344 ( 0.000 -22.275 -7.712) 23.573 5.215 ( -0.000 1.484 0.363) 1.528 6.836 ( 0.000 -13.002 -15.488) 20.222 7.807 ( 0.000 -14.059 -0.559) 14.070 9.111 ( -0.000 9.064 2.095) 9.303 9.706 ( -0.000 -1.659 0.611) 1.767 13.274 ( -0.000 11.445 49.194) 50.508 19.747 ( -0.000 1.420 6.007) 6.173 34.349 ( 0.000 -2.943 -1.079) 3.135 37.151 ( 0.000 -10.675 -1.388) 10.765 50.954 ( 0.000 7.181 -60.251) 60.677======================= Grid point 1530 (549/781) =======================q-point: (-0.20 -0.25 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.092 ( 1.771 -23.033 -11.555) 25.830 4.180 ( 6.555 -19.024 -2.942) 20.336 5.297 ( 8.341 -0.091 0.220) 8.345 6.638 ( 1.111 -17.767 -13.061) 22.079 7.639 ( -2.062 -16.385 -0.544) 16.524 9.197 ( -1.471 9.812 0.241) 9.924 9.736 ( 5.300 -2.139 -0.168) 5.718 13.565 ( -0.308 11.110 47.749) 49.025 19.781 ( -0.589 1.912 5.900) 6.230 34.361 ( 5.555 -3.813 -1.179) 6.840 37.012 ( -2.870 -11.468 -0.705) 11.843 50.771 ( -6.836 14.808 -61.324) 63.456======================= Grid point 1550 (550/781) =======================q-point: (-0.20 -0.20 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.782 ( 0.000 -26.683 -14.194) 30.223 3.923 ( 0.000 -20.247 -2.429) 20.392 5.222 ( 0.000 -0.798 -0.174) 0.817 6.380 ( 0.000 -23.281 -11.248) 25.856 7.483 ( 0.000 -18.551 -0.692) 18.564 9.309 ( 0.000 10.630 -1.792) 10.780 9.668 ( 0.000 -2.531 -0.031) 2.531 13.847 ( -0.000 9.039 47.092) 47.952 19.829 ( -0.000 2.300 5.856) 6.292 34.272 ( 0.000 -3.965 -1.233) 4.152 36.916 ( 0.000 -12.745 0.284) 12.748 50.774 ( 0.000 22.412 -63.063) 66.927======================= Grid point 1699 (551/781) =======================q-point: ( 0.20 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 781Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.725 ( -0.000 0.000 13.674) 13.674 0.725 ( -0.000 0.000 13.674) 13.674 4.307 ( -0.000 0.000 88.617) 88.617 4.830 ( -0.000 0.000 0.005) 0.005 4.830 ( 0.000 -0.000 0.005) 0.005 9.288 ( -0.000 0.000 0.203) 0.203 9.288 ( 0.000 0.000 0.203) 0.203 16.101 ( 0.000 -0.000 -30.887) 30.887 20.490 ( -0.000 0.000 7.967) 7.967 33.813 ( -0.000 0.000 1.131) 1.131 33.813 ( -0.000 0.000 1.131) 1.131 73.430 ( 0.000 -0.000 -1.288) 1.288======================= Grid point 1700 (552/781) =======================q-point: ( 0.25 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.993 ( 17.971 10.376 10.466) 23.241 1.335 ( 38.268 22.094 8.884) 45.073 4.496 ( -6.570 -3.793 63.747) 64.197 4.836 ( 0.863 0.498 -0.089) 1.000 5.078 ( 15.394 8.888 21.809) 28.135 9.272 ( -0.091 -0.053 0.065) 0.123 9.422 ( 9.966 5.754 -1.163) 11.566 15.752 ( -19.402 -11.202 -26.767) 34.906 20.368 ( -11.797 -6.811 7.945) 15.770 33.817 ( 0.636 0.367 1.095) 1.318 34.062 ( 19.647 11.343 -2.811) 22.860 71.305 (-170.244 -98.290 70.683) 208.902======================= Grid point 1701 (553/781) =======================q-point: ( 0.30 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.509 ( 23.640 13.648 7.693) 28.360 2.280 ( 41.304 23.847 8.007) 48.361 4.623 ( 0.047 0.027 47.878) 47.878 4.866 ( 1.827 1.055 -0.294) 2.130 5.551 ( 16.479 9.514 30.949) 36.331 9.286 ( 1.327 0.766 0.175) 1.543 9.690 ( 13.661 7.887 -2.586) 15.985 15.108 ( -28.074 -16.208 -21.883) 39.111 20.106 ( -12.334 -7.121 5.316) 15.202 33.850 ( 1.915 1.106 1.164) 2.499 34.581 ( 26.725 15.430 -6.999) 31.643 67.430 (-197.226 -113.869 144.002) 269.446======================= Grid point 1702 (554/781) =======================q-point: ( 0.35 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.081 ( 24.578 14.190 6.331) 29.078 3.209 ( 37.667 21.747 10.604) 44.768 4.878 ( 7.997 4.617 39.114) 40.189 4.913 ( 2.481 1.432 -0.559) 2.919 6.027 ( 15.647 9.034 28.116) 33.420 9.333 ( 2.663 1.538 0.442) 3.107 9.981 ( 12.179 7.031 -1.078) 14.104 14.386 ( -27.149 -15.675 -24.828) 39.990 19.887 ( -8.141 -4.700 1.430) 9.508 33.911 ( 3.028 1.748 1.297) 3.729 35.163 ( 26.923 15.544 -7.210) 31.913 63.819 (-174.627 -100.821 160.389) 257.650======================= Grid point 1703 (555/781) =======================q-point: ( 0.40 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.648 ( 23.685 13.675 5.508) 27.898 4.026 ( 30.014 17.329 16.499) 38.384 4.970 ( 2.768 1.598 -0.804) 3.296 5.275 ( 15.757 9.097 28.414) 33.740 6.461 ( 14.500 8.372 21.678) 27.391 9.407 ( 3.652 2.109 0.695) 4.274 10.192 ( 5.305 3.063 3.546) 7.078 13.745 ( -18.815 -10.863 -34.859) 41.075 19.752 ( -4.041 -2.333 -1.138) 4.803 33.994 ( 3.819 2.205 1.426) 4.635 35.721 ( 24.620 14.214 -5.088) 28.880 60.791 (-148.156 -85.538 147.039) 225.583======================= Grid point 1704 (556/781) =======================q-point: ( 0.45 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.179 ( 21.733 12.548 4.867) 25.563 4.668 ( 20.282 11.710 23.407) 33.112 5.028 ( 2.636 1.522 -0.968) 3.194 5.782 ( 21.104 12.185 15.629) 28.950 6.844 ( 13.667 7.891 14.520) 21.445 9.498 ( 4.100 2.367 0.763) 4.795 10.212 ( -5.937 -3.428 8.166) 10.662 13.313 ( -5.424 -3.131 -46.095) 46.519 19.689 ( -1.199 -0.692 -2.004) 2.436 34.090 ( 4.166 2.405 1.483) 5.034 36.223 ( 21.309 12.303 -2.469) 24.729 58.241 (-125.645 -72.541 124.223) 190.998======================= Grid point 1705 (557/781) =======================q-point: ( 0.50 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.656 ( 19.036 10.990 4.332) 22.404 5.078 ( 2.038 1.177 -1.049) 2.577 5.121 ( 11.880 6.859 26.172) 29.550 6.296 ( 20.176 11.649 4.307) 23.692 7.195 ( 13.831 7.985 9.026) 18.345 9.592 ( 3.936 2.272 0.548) 4.578 9.994 ( -15.454 -8.922 8.005) 19.558 13.151 ( 6.928 4.000 -51.543) 52.160 19.675 ( 0.424 0.245 -1.783) 1.849 34.188 ( 4.010 2.315 1.431) 4.846 36.653 ( 17.314 9.996 -0.295) 19.995 56.070 (-106.110 -61.262 100.537) 158.493======================= Grid point 1706 (558/781) =======================q-point: ( 0.55 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.063 ( 15.733 9.083 3.952) 18.591 5.109 ( 1.010 0.583 -1.112) 1.612 5.404 ( 4.835 2.791 23.928) 24.571 6.680 ( 13.768 7.949 -5.187) 16.723 7.542 ( 14.269 8.238 6.575) 17.740 9.632 ( -17.633 -10.180 4.478) 20.847 9.674 ( 3.228 1.864 0.071) 3.728 13.193 ( 13.362 7.715 -51.229) 53.502 19.688 ( 1.154 0.666 -1.219) 1.806 34.277 ( 3.368 1.945 1.277) 4.093 36.994 ( 12.749 7.361 1.125) 14.764 54.233 ( -87.980 -50.795 79.332) 128.896======================= Grid point 1707 (559/781) =======================q-point: ( 0.60 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.387 ( 11.675 6.741 3.824) 14.013 5.114 ( -0.125 -0.072 -1.274) 1.282 5.514 ( -2.361 -1.363 18.131) 18.335 6.879 ( 7.109 4.104 -10.922) 13.663 7.861 ( 11.418 6.592 5.159) 14.158 9.288 ( -13.158 -7.597 1.891) 15.310 9.734 ( 2.153 1.243 -0.533) 2.542 13.329 ( 15.233 8.795 -49.163) 52.215 19.713 ( 1.348 0.778 -0.885) 1.791 34.346 ( 2.334 1.347 1.068) 2.899 37.231 ( 7.822 4.516 1.821) 9.214 52.724 ( -70.295 -40.585 62.035) 102.161======================= Grid point 1708 (560/781) =======================q-point: ( 0.65 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.604 ( 5.829 3.365 3.930) 7.793 5.101 ( -0.121 -0.070 -1.555) 1.561 5.430 ( -10.011 -5.780 10.385) 15.539 6.943 ( 2.738 1.581 -10.426) 10.895 8.063 ( 4.706 2.717 3.410) 6.415 9.081 ( -5.580 -3.222 0.666) 6.478 9.766 ( 0.943 0.544 -1.058) 1.518 13.487 ( 14.986 8.652 -47.326) 50.390 19.740 ( 1.316 0.760 -1.071) 1.859 34.388 ( 1.054 0.608 0.879) 1.501 37.358 ( 2.861 1.652 1.980) 3.852 51.554 ( -52.559 -30.345 49.462) 78.292======================= Grid point 1709 (561/781) =======================q-point: (-0.30 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.655 ( -2.712 -1.566 3.509) 4.703 5.117 ( 2.191 1.265 -1.225) 2.811 5.154 ( -16.572 -9.568 4.095) 19.569 6.937 ( -0.581 -0.335 -4.944) 4.989 8.100 ( -1.986 -1.147 2.176) 3.161 9.025 ( 0.003 0.002 -1.104) 1.104 9.770 ( -0.187 -0.108 -1.310) 1.328 13.634 ( 13.832 7.986 -46.223) 48.905 19.764 ( 1.294 0.747 -1.789) 2.331 34.400 ( -0.303 -0.175 0.781) 0.856 37.377 ( -1.757 -1.014 1.821) 2.726 50.748 ( -34.588 -19.970 42.314) 58.186======================= Grid point 1710 (562/781) =======================q-point: (-0.25 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.525 ( -9.439 -5.450 2.652) 11.217 4.741 ( -20.758 -11.984 2.472) 24.096 5.174 ( 2.619 1.512 -0.381) 3.048 6.871 ( -5.177 -2.989 1.998) 6.303 8.004 ( -7.034 -4.061 1.662) 8.290 9.051 ( 2.897 1.673 -3.053) 4.529 9.750 ( -1.098 -0.634 -1.180) 1.732 13.752 ( 12.128 7.002 -45.966) 48.052 19.785 ( 1.423 0.821 -2.894) 3.328 34.381 ( -1.578 -0.911 0.818) 1.997 37.298 ( -5.700 -3.291 1.481) 6.746 50.332 ( -16.474 -9.512 41.381) 45.544======================= Grid point 1711 (563/781) =======================q-point: (-0.20 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.263 ( -22.793 -13.160 6.054) 27.006 4.269 ( -13.945 -8.051 2.309) 16.267 5.217 ( 1.108 0.640 0.054) 1.281 6.702 ( -11.937 -6.892 7.818) 15.847 7.797 ( -11.924 -6.884 1.157) 13.817 9.138 ( 6.059 3.498 -2.547) 7.445 9.714 ( -1.750 -1.011 -0.686) 2.134 13.825 ( 9.999 5.773 -46.453) 47.867 19.806 ( 1.702 0.982 -4.255) 4.686 34.337 ( -2.647 -1.528 0.984) 3.211 37.138 ( -8.777 -5.067 0.899) 10.175 50.331 ( 1.535 0.886 47.738) 47.771======================= Grid point 1720 (564/781) =======================q-point: ( 0.25 0.25 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2110Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.066 ( -0.000 20.969 10.236) 23.334 1.341 ( -0.000 43.045 8.707) 43.916 4.682 ( -0.000 -7.482 37.896) 38.627 4.850 ( -0.000 1.746 -0.077) 1.748 5.201 ( -0.000 16.661 45.737) 48.677 9.333 ( -0.000 2.753 0.332) 2.773 9.358 ( 0.000 8.240 -1.359) 8.352 15.637 ( 0.000 -22.043 -28.768) 36.242 20.395 ( -0.000 -14.213 7.929) 16.275 33.851 ( -0.000 2.183 1.243) 2.512 34.022 ( 0.000 20.039 -2.132) 20.152 71.551 ( -0.000 -175.662 57.660) 184.884======================= Grid point 1721 (565/781) =======================q-point: ( 0.30 0.25 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.427 ( 11.737 23.925 8.152) 27.868 2.039 ( 24.924 40.169 7.586) 47.878 4.758 ( 0.467 -1.187 30.223) 30.250 4.874 ( 0.443 2.901 0.082) 2.936 5.611 ( 7.483 13.618 47.917) 50.373 9.320 ( -2.275 4.053 0.134) 4.650 9.560 ( 10.327 9.821 -2.447) 14.459 15.158 ( -14.072 -27.921 -25.314) 40.229 20.202 ( -7.647 -14.404 6.652) 17.612 33.869 ( -0.587 3.382 1.228) 3.646 34.378 ( 15.859 22.990 -4.747) 28.330 69.059 (-105.276 -181.183 106.906) 235.243======================= Grid point 1722 (566/781) =======================q-point: ( 0.35 0.25 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.940 ( 17.239 23.596 6.693) 29.979 2.913 ( 31.287 33.125 8.498) 46.351 4.898 ( 2.064 3.069 9.297) 10.006 4.952 ( 4.364 4.779 18.547) 19.643 6.046 ( 9.252 11.143 41.111) 43.587 9.342 ( -0.111 4.266 0.453) 4.292 9.843 ( 12.311 9.779 -2.747) 15.960 14.483 ( -20.493 -28.718 -24.688) 43.060 19.963 ( -7.706 -10.226 3.614) 13.305 33.914 ( 0.894 4.161 1.341) 4.462 34.902 ( 21.622 21.751 -5.927) 31.237 65.802 (-134.664 -153.846 136.587) 245.884======================= Grid point 1723 (567/781) =======================q-point: ( 0.40 0.25 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.493 ( 18.472 22.560 5.815) 29.731 3.763 ( 30.377 25.424 11.733) 41.313 4.969 ( 1.251 4.924 -0.229) 5.086 5.240 ( 11.061 8.209 23.328) 27.091 6.443 ( 9.563 9.167 31.997) 34.630 9.400 ( 1.475 4.610 0.783) 4.904 10.112 ( 9.720 6.572 -0.146) 11.734 13.773 ( -18.982 -24.848 -30.470) 43.660 19.788 ( -4.727 -5.910 0.722) 7.603 33.988 ( 1.921 4.978 1.486) 5.539 35.456 ( 22.694 18.706 -4.922) 29.819 62.706 (-132.299 -125.243 136.692) 227.758======================= Grid point 1724 (568/781) =======================q-point: ( 0.45 0.25 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.033 ( 17.627 21.192 5.163) 28.044 4.490 ( 24.450 16.038 17.205) 33.927 5.043 ( 1.140 6.992 -0.931) 7.145 5.644 ( 16.316 11.383 15.709) 25.349 6.790 ( 9.732 7.692 22.237) 25.463 9.483 ( 2.353 4.878 0.952) 5.499 10.256 ( 1.304 -0.229 5.113) 5.282 13.181 ( -9.663 -16.542 -41.037) 45.289 19.692 ( -1.744 -2.862 -0.817) 3.450 34.083 ( 2.340 5.771 1.579) 6.425 35.980 ( 21.505 15.084 -2.920) 26.430 59.960 (-120.867 -102.336 121.301) 199.488======================= Grid point 1725 (569/781) =======================q-point: ( 0.50 0.25 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.530 ( 15.608 19.500 4.603) 25.398 4.969 ( 11.317 2.267 13.984) 18.132 5.181 ( 5.258 13.661 7.250) 16.335 6.102 ( 18.500 12.010 5.573) 22.750 7.099 ( 10.831 7.079 13.598) 18.770 9.575 ( 2.463 4.802 0.843) 5.462 10.162 ( -10.497 -8.432 8.447) 15.895 12.852 ( 4.284 -5.965 -49.666) 50.206 19.659 ( 0.302 -1.088 -1.151) 1.613 34.187 ( 2.131 6.404 1.565) 6.928 36.443 ( 19.021 11.235 -0.935) 22.111 57.559 (-106.988 -84.081 100.909) 169.407======================= Grid point 1726 (570/781) =======================q-point: ( 0.55 0.25 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.967 ( 12.833 17.431 4.151) 22.040 5.091 ( 1.993 0.994 2.751) 3.540 5.471 ( 5.234 9.549 19.325) 22.182 6.497 ( 15.111 8.484 -3.885) 17.760 7.411 ( 13.109 7.360 8.163) 17.107 9.653 ( 0.986 2.147 0.595) 2.436 9.850 ( -16.131 -9.795 6.209) 19.867 12.805 ( 14.285 1.193 -51.238) 53.206 19.664 ( 1.376 -0.261 -0.928) 1.680 34.287 ( 1.348 6.769 1.435) 7.049 36.825 ( 15.603 7.279 0.548) 17.226 55.486 ( -92.043 -68.709 80.905) 140.494======================= Grid point 1727 (571/781) =======================q-point: ( 0.60 0.25 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.328 ( 9.450 14.775 3.899) 17.967 5.122 ( -0.278 1.431 0.989) 1.762 5.640 ( -1.983 4.737 16.774) 17.543 6.735 ( 9.635 3.822 -9.908) 14.339 7.734 ( 13.260 6.492 5.530) 15.766 9.437 ( -14.067 -11.725 2.600) 18.496 9.754 ( -0.670 5.772 0.402) 5.825 12.919 ( 18.036 3.841 -49.418) 52.747 19.687 ( 1.739 -0.017 -0.768) 1.901 34.371 ( 0.120 6.808 1.227) 6.919 37.110 ( 11.501 3.365 1.422) 12.068 53.741 ( -76.205 -55.063 63.906) 113.680======================= Grid point 1728 (572/781) =======================q-point: ( 0.65 0.25 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.593 ( 5.075 10.771 3.937) 12.540 5.123 ( -1.591 2.021 0.422) 2.606 5.615 ( -9.921 0.488 9.001) 13.404 6.847 ( 5.822 1.285 -9.334) 11.076 7.990 ( 8.683 3.072 3.642) 9.904 9.155 ( -8.508 -6.841 0.891) 10.953 9.795 ( -1.269 5.408 -0.385) 5.568 13.086 ( 18.437 4.418 -47.563) 51.202 19.713 ( 1.719 -0.045 -1.044) 2.011 34.430 ( -1.368 6.510 1.014) 6.729 37.287 ( 7.016 -0.287 1.794) 7.248 52.342 ( -59.432 -42.487 51.285) 89.261======================= Grid point 1729 (573/781) =======================q-point: ( 0.70 0.25 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.716 ( -1.567 4.148 3.963) 5.947 5.123 ( -1.648 2.856 1.013) 3.449 5.400 ( -16.015 -1.153 0.818) 16.077 6.902 ( 2.853 0.354 -3.634) 4.633 8.099 ( 1.845 -1.158 2.277) 3.152 9.026 ( -2.038 -2.425 -0.909) 3.295 9.811 ( -2.481 4.913 -0.787) 5.560 13.254 ( 17.370 4.477 -46.479) 49.821 19.735 ( 1.605 -0.103 -1.833) 2.438 34.458 ( -2.905 5.906 0.872) 6.640 37.355 ( 2.500 -3.435 1.850) 4.634 51.313 ( -41.691 -30.617 43.924) 67.859======================= Grid point 1730 (574/781) =======================q-point: (-0.25 0.25 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.653 ( -8.456 -1.652 3.610) 9.342 4.974 ( -16.995 -8.419 1.622) 19.035 5.239 ( -4.406 10.147 -1.874) 11.220 6.916 ( -1.203 -1.051 3.308) 3.674 8.060 ( -3.717 -4.404 1.668) 5.999 9.008 ( 1.708 -0.092 -3.098) 3.538 9.802 ( -3.490 4.378 -0.834) 5.661 13.399 ( 15.444 4.561 -46.252) 48.975 19.752 ( 1.595 -0.046 -3.004) 3.401 34.454 ( -4.294 5.055 0.853) 6.687 37.322 ( -1.710 -5.865 1.732) 6.350 50.687 ( -23.058 -19.306 42.560) 52.113======================= Grid point 1731 (575/781) =======================q-point: (-0.20 0.25 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.444 ( -13.912 -5.754 4.388) 15.681 4.563 ( -21.470 -7.268 2.673) 22.824 5.279 ( -2.966 9.069 -0.514) 9.555 6.847 ( -7.515 -3.944 9.300) 12.590 7.905 ( -8.591 -7.354 1.214) 11.374 9.058 ( 5.047 1.847 -3.583) 6.459 9.775 ( -4.152 3.878 -0.497) 5.703 13.506 ( 12.808 4.793 -46.807) 48.764 19.766 ( 1.744 0.161 -4.385) 4.722 34.420 ( -5.383 4.029 0.968) 6.793 37.202 ( -5.385 -7.457 1.434) 9.309 50.496 ( -3.723 -8.578 47.996) 48.899======================= Grid point 1741 (576/781) =======================q-point: ( 0.30 0.30 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.606 ( -0.000 26.551 7.419) 27.567 2.304 ( -0.000 47.648 7.585) 48.248 4.855 ( -0.000 2.815 22.545) 22.720 4.894 ( 0.000 2.834 -0.380) 2.860 5.884 ( -0.000 13.436 51.874) 53.586 9.396 ( -0.000 3.437 0.179) 3.442 9.559 ( 0.000 13.546 -3.023) 13.879 14.866 ( 0.000 -35.221 -24.852) 43.106 20.132 ( -0.000 -16.843 6.025) 17.888 33.915 ( -0.000 3.345 1.163) 3.541 34.481 ( 0.000 28.381 -4.517) 28.738 68.402 ( -0.000 -202.686 107.957) 229.644======================= Grid point 1742 (577/781) =======================q-point: ( 0.35 0.30 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.985 ( 10.013 27.029 6.430) 29.533 2.921 ( 14.970 42.918 8.287) 46.203 4.933 ( 1.076 3.999 -0.135) 4.143 5.005 ( 2.927 6.539 19.966) 21.212 6.226 ( 3.224 11.501 46.461) 47.972 9.409 ( -1.777 4.695 0.185) 5.024 9.762 ( 8.178 12.929 -3.259) 15.641 14.322 ( -10.074 -37.945 -24.136) 46.085 19.959 ( -3.888 -13.817 4.086) 14.923 33.955 ( 0.218 4.382 1.170) 4.541 34.843 ( 11.017 27.773 -4.718) 30.249 66.315 ( -65.477 -185.841 120.903) 231.175======================= Grid point 1743 (578/781) =======================q-point: ( 0.40 0.30 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4004Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.484 ( 14.531 26.723 5.765) 30.959 3.646 ( 21.326 33.810 10.351) 41.293 5.003 ( 1.628 5.814 -0.775) 6.087 5.241 ( 7.366 9.624 17.609) 21.376 6.553 ( 4.362 9.309 37.820) 39.192 9.444 ( -0.146 5.525 0.564) 5.555 10.020 ( 9.432 10.068 -2.062) 13.949 13.649 ( -14.151 -36.014 -27.022) 47.196 19.792 ( -3.639 -9.000 1.803) 9.874 34.022 ( 1.352 5.749 1.321) 6.051 35.314 ( 16.018 24.108 -4.078) 29.230 63.738 ( -93.056 -157.135 122.785) 220.061======================= Grid point 1744 (579/781) =======================q-point: ( 0.45 0.30 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.016 ( 15.072 26.117 5.319) 30.619 4.337 ( 21.522 22.406 14.166) 34.145 5.096 ( 1.819 8.622 -1.337) 8.913 5.570 ( 11.975 12.153 12.514) 21.159 6.838 ( 4.904 7.381 27.924) 29.296 9.513 ( 1.147 6.105 0.917) 6.279 10.224 ( 5.421 3.936 2.092) 7.018 12.991 ( -10.769 -29.002 -34.841) 46.594 19.683 ( -1.722 -4.947 0.255) 5.244 34.120 ( 2.019 7.238 1.483) 7.659 35.799 ( 17.611 19.244 -2.679) 26.223 61.152 ( -99.895 -129.872 112.371) 198.678======================= Grid point 1745 (580/781) =======================q-point: ( 0.50 0.30 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4004Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.527 ( 13.529 25.089 4.936) 28.928 4.860 ( 13.940 8.099 15.912) 22.652 5.250 ( 4.881 14.388 1.172) 15.239 5.958 ( 14.866 12.996 4.844) 20.331 7.081 ( 6.137 6.215 18.166) 20.157 9.602 ( 1.536 6.240 1.038) 6.510 10.249 ( -4.702 -5.657 7.610) 10.584 12.519 ( 0.685 -16.811 -44.544) 47.616 19.636 ( 0.145 -2.343 -0.328) 2.370 34.238 ( 1.882 8.741 1.562) 9.077 36.249 ( 17.249 13.910 -1.117) 22.187 58.736 ( -96.744 -106.727 95.542) 172.853======================= Grid point 1746 (581/781) =======================q-point: ( 0.55 0.30 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.989 ( 10.888 23.443 4.576) 26.250 5.080 ( 3.744 1.976 8.084) 9.125 5.542 ( 7.314 14.208 11.521) 19.700 6.322 ( 13.792 9.712 -3.613) 17.251 7.321 ( 9.233 6.266 10.532) 15.344 9.677 ( 0.024 3.354 0.908) 3.475 10.029 ( -13.248 -10.007 8.101) 18.474 12.360 ( 13.185 -5.462 -48.292) 50.357 19.632 ( 1.337 -1.021 -0.350) 1.718 34.360 ( 0.940 10.073 1.515) 10.230 36.634 ( 15.600 8.454 0.164) 17.745 56.561 ( -88.344 -87.112 77.420) 146.243======================= Grid point 1747 (582/781) =======================q-point: ( 0.60 0.30 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4004Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.378 ( 7.559 20.810 4.308) 22.556 5.153 ( 0.395 2.288 4.603) 5.156 5.783 ( 0.638 10.106 12.685) 16.231 6.563 ( 10.294 3.845 -9.521) 14.539 7.599 ( 12.239 6.148 6.192) 15.031 9.541 ( -11.487 -13.006 2.350) 17.511 9.870 ( -4.389 7.080 3.142) 8.903 12.435 ( 19.154 -0.552 -46.717) 50.494 19.651 ( 1.838 -0.577 -0.354) 1.958 34.472 ( -0.653 11.047 1.361) 11.149 36.935 ( 13.013 3.175 0.996) 13.432 54.667 ( -76.670 -70.119 61.221) 120.594======================= Grid point 1748 (583/781) =======================q-point: ( 0.65 0.30 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.670 ( 3.476 16.092 4.262) 17.006 5.187 ( -1.295 3.720 3.375) 5.187 5.831 ( -8.612 6.200 5.039) 11.747 6.703 ( 8.477 0.802 -7.799) 11.547 7.868 ( 10.877 3.444 3.801) 12.026 9.233 ( -9.956 -10.274 1.023) 14.343 9.909 ( -3.241 9.577 1.569) 10.231 12.603 ( 20.651 0.810 -44.727) 49.271 19.676 ( 1.879 -0.588 -0.717) 2.095 34.559 ( -2.647 11.508 1.163) 11.865 37.139 ( 9.762 -1.592 1.422) 9.993 53.092 ( -62.590 -55.077 48.812) 96.611======================= Grid point 1749 (584/781) =======================q-point: ( 0.70 0.30 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4004Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.821 ( -1.870 7.890 4.474) 9.261 5.217 ( -2.569 6.196 3.086) 7.384 5.673 ( -15.115 4.461 -3.981) 16.255 6.820 ( 6.451 0.742 -1.157) 6.596 8.034 ( 5.567 -0.898 2.323) 6.099 9.040 ( -4.242 -5.103 -0.758) 6.679 9.942 ( -4.610 9.598 1.020) 10.696 12.793 ( 20.192 1.511 -43.599) 48.072 19.696 ( 1.745 -0.705 -1.550) 2.438 34.613 ( -4.742 11.361 1.000) 12.351 37.244 ( 6.130 -5.502 1.590) 8.389 51.872 ( -46.504 -41.534 41.317) 74.798======================= Grid point 1750 (585/781) =======================q-point: (-0.25 0.30 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.799 ( -7.285 0.855 4.882) 8.811 5.166 ( -11.325 -0.985 1.017) 11.413 5.483 ( -11.289 13.210 -5.062) 18.099 6.915 ( 2.830 0.454 5.031) 5.790 8.056 ( -0.287 -4.733 1.595) 5.003 8.970 ( 0.235 -1.822 -2.878) 3.414 9.947 ( -5.959 9.047 0.760) 10.860 12.975 ( 18.581 2.625 -43.338) 47.226 19.709 ( 1.663 -0.698 -2.739) 3.279 34.627 ( -6.644 10.579 0.937) 12.527 37.254 ( 2.396 -8.269 1.642) 8.765 51.046 ( -28.661 -29.220 39.492) 56.876======================= Grid point 1751 (586/781) =======================q-point: (-0.20 0.30 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4004Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.643 ( -12.205 -3.273 6.009) 13.992 4.863 ( -19.278 -2.625 -0.433) 19.460 5.482 ( -6.934 15.442 -1.514) 16.995 6.945 ( -2.734 -1.369 10.105) 10.557 7.952 ( -5.260 -7.930 1.129) 9.583 8.981 ( 3.552 0.408 -4.079) 5.425 9.926 ( -6.759 8.118 0.796) 10.593 13.135 ( 15.939 4.331 -43.852) 46.859 19.719 ( 1.731 -0.477 -4.090) 4.467 34.603 ( -8.114 9.206 0.999) 12.312 37.181 ( -1.229 -9.733 1.615) 9.943 50.652 ( -9.310 -18.065 43.944) 48.416======================= Grid point 1762 (587/781) =======================q-point: ( 0.35 0.35 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2110Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.186 ( -0.000 27.503 5.718) 28.091 3.269 ( -0.000 44.256 9.135) 45.189 4.952 ( 0.000 3.507 -0.811) 3.600 5.137 ( -0.000 10.508 17.062) 20.039 6.483 ( -0.000 10.402 43.610) 44.833 9.466 ( -0.000 3.604 -0.134) 3.607 9.820 ( 0.000 15.282 -3.099) 15.593 13.917 ( 0.000 -42.822 -23.441) 48.818 19.869 ( -0.000 -13.238 3.335) 13.651 33.996 ( -0.000 4.145 0.924) 4.246 35.025 ( 0.000 30.269 -3.783) 30.505 65.451 ( -0.000 -188.089 115.651) 220.800======================= Grid point 1763 (588/781) =======================q-point: ( 0.40 0.35 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.558 ( 9.593 27.058 5.135) 29.164 3.792 ( 8.604 38.057 10.967) 40.529 5.007 ( 2.621 4.265 -1.199) 5.148 5.335 ( 2.450 13.893 14.219) 20.030 6.742 ( 1.198 8.645 36.813) 37.834 9.498 ( -0.086 4.300 -0.005) 4.301 10.001 ( 4.962 13.426 -2.142) 14.473 13.341 ( -6.852 -43.141 -24.608) 50.136 19.750 ( -1.540 -9.812 2.081) 10.148 34.054 ( 1.459 4.930 0.905) 5.221 35.365 ( 6.962 28.430 -2.879) 29.411 63.724 ( -43.875 -171.306 110.907) 208.737======================= Grid point 1764 (589/781) =======================q-point: ( 0.45 0.35 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.046 ( 14.252 26.508 4.827) 30.481 4.343 ( 12.514 27.143 13.968) 32.992 5.113 ( 4.413 6.354 -1.693) 7.920 5.600 ( 5.753 16.805 9.681) 20.230 6.964 ( 1.523 6.833 28.347) 29.199 9.555 ( 1.180 5.255 0.457) 5.405 10.196 ( 4.858 8.246 0.933) 9.616 12.703 ( -8.212 -38.236 -29.457) 48.960 19.655 ( -1.072 -5.949 1.058) 6.136 34.151 ( 2.992 6.424 1.061) 7.166 35.762 ( 10.414 23.970 -1.812) 26.198 61.615 ( -67.190 -148.001 100.847) 191.282======================= Grid point 1765 (590/781) =======================q-point: ( 0.50 0.35 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.566 ( 14.450 26.118 4.696) 30.216 4.806 ( 11.039 13.006 16.068) 23.435 5.281 ( 7.011 10.957 -0.611) 13.023 5.919 ( 8.555 17.937 3.116) 20.115 7.144 ( 2.109 5.523 19.540) 20.415 9.639 ( 1.838 5.661 0.885) 6.017 10.288 ( -1.284 -1.117 6.873) 7.081 12.160 ( -1.531 -26.527 -37.855) 46.250 19.607 ( 0.109 -3.040 0.581) 3.097 34.284 ( 3.611 8.401 1.236) 9.227 36.152 ( 11.733 18.078 -0.717) 21.564 59.423 ( -76.444 -124.539 86.116) 169.616======================= Grid point 1766 (591/781) =======================q-point: ( 0.55 0.35 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.060 ( 11.967 25.422 4.628) 28.476 5.064 ( 5.041 3.228 11.549) 13.009 5.569 ( 10.489 13.647 6.197) 18.294 6.228 ( 8.412 14.653 -4.443) 17.471 7.307 ( 4.412 5.349 11.952) 13.818 9.710 ( 0.087 2.209 1.136) 2.486 10.167 ( -9.701 -7.904 9.971) 16.000 11.899 ( 10.788 -11.483 -42.996) 45.792 19.599 ( 1.108 -1.401 0.469) 1.847 34.439 ( 2.999 10.628 1.326) 11.122 36.494 ( 11.771 11.455 0.177) 16.426 57.315 ( -76.755 -102.979 69.730) 146.144======================= Grid point 1767 (592/781) =======================q-point: ( 0.60 0.35 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.487 ( 8.005 23.539 4.632) 25.291 5.175 ( 2.053 1.579 7.539) 7.972 5.887 ( 6.809 12.690 9.784) 17.410 6.423 ( 6.010 6.641 -11.079) 14.246 7.504 ( 8.444 5.781 6.937) 12.363 9.595 ( -8.985 -12.959 2.156) 15.916 10.041 ( -5.367 6.482 6.420) 10.585 11.925 ( 18.376 -3.950 -41.470) 45.530 19.615 ( 1.618 -0.792 0.341) 1.834 34.595 ( 1.206 12.787 1.298) 12.909 36.767 ( 10.980 4.680 0.754) 11.959 55.392 ( -71.179 -83.716 54.524) 122.669======================= Grid point 1768 (593/781) =======================q-point: ( 0.65 0.35 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.806 ( 2.883 18.255 4.953) 19.133 5.246 ( 1.033 3.618 5.204) 6.422 6.057 ( -5.497 11.999 2.460) 13.425 6.526 ( 8.986 0.234 -8.000) 12.034 7.737 ( 10.122 3.938 4.019) 11.580 9.293 ( -9.867 -12.886 1.201) 16.274 10.092 ( -3.986 12.430 4.654) 13.858 12.081 ( 21.128 -2.063 -39.323) 44.687 19.636 ( 1.709 -0.788 -0.108) 1.885 34.732 ( -1.481 14.501 1.185) 14.624 36.958 ( 9.601 -1.635 1.043) 9.795 53.724 ( -61.417 -66.658 42.507) 100.111======================= Grid point 1769 (594/781) =======================q-point: ( 0.70 0.35 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.957 ( -2.459 7.915 5.644) 10.028 5.331 ( -0.455 8.537 3.026) 9.069 5.965 ( -14.137 9.919 -8.729) 19.350 6.691 ( 10.067 0.994 2.179) 10.348 7.922 ( 7.611 -0.352 2.290) 7.956 9.061 ( -5.737 -7.566 -0.459) 9.506 10.155 ( -5.890 13.474 4.156) 15.281 12.283 ( 21.837 -0.959 -38.282) 44.083 19.654 ( 1.599 -0.972 -0.970) 2.108 34.831 ( -4.617 15.379 1.059) 16.092 37.067 ( 7.769 -6.840 1.170) 10.417 52.368 ( -48.392 -51.577 34.974) 78.899======================= Grid point 1770 (595/781) =======================q-point: (-0.25 0.35 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.943 ( -6.110 0.855 6.024) 8.622 5.351 ( -7.969 4.981 -0.852) 9.436 5.806 ( -12.864 15.376 -7.651) 21.458 6.868 ( 6.702 1.730 7.108) 9.921 7.991 ( 2.855 -4.929 1.383) 5.862 8.945 ( -1.445 -3.407 -2.365) 4.392 10.181 ( -8.017 12.831 3.726) 15.582 12.502 ( 21.191 1.215 -38.097) 43.611 19.664 ( 1.508 -1.036 -2.140) 2.816 34.880 ( -7.671 15.102 0.993) 16.968 37.099 ( 5.546 -10.354 1.275) 11.815 51.374 ( -32.635 -38.258 32.735) 60.002======================= Grid point 1771 (596/781) =======================q-point: (-0.20 0.35 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.825 ( -9.674 -2.625 6.405) 11.896 5.156 ( -16.251 2.206 -2.557) 16.598 5.781 ( -9.302 18.491 -2.562) 20.857 6.989 ( 1.796 0.992 10.318) 10.520 7.936 ( -1.972 -8.742 0.821) 8.999 8.918 ( 1.916 -0.708 -3.831) 4.342 10.163 ( -9.346 11.050 3.271) 14.837 12.725 ( 19.088 4.588 -38.590) 43.297 19.670 ( 1.556 -0.835 -3.418) 3.847 34.873 ( -10.145 13.530 1.025) 16.942 37.067 ( 2.939 -11.821 1.425) 12.264 50.789 ( -14.548 -26.605 36.292) 47.293======================= Grid point 1783 (597/781) =======================q-point: ( 0.40 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.752 ( -0.000 26.589 4.443) 26.958 4.132 ( -0.000 35.028 12.845) 37.308 5.015 ( 0.000 3.670 -1.251) 3.877 5.521 ( -0.000 18.063 11.007) 21.153 6.943 ( -0.000 7.423 31.611) 32.471 9.532 ( 0.000 3.371 -0.422) 3.397 10.093 ( 0.000 14.115 -0.813) 14.138 12.869 ( 0.000 -45.720 -23.883) 51.582 19.680 ( -0.000 -8.179 1.879) 8.392 34.087 ( -0.000 4.537 0.589) 4.575 35.586 ( 0.000 29.291 -1.707) 29.340 62.820 ( -0.000 -167.924 100.422) 195.660======================= Grid point 1784 (598/781) =======================q-point: ( 0.45 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.107 ( 9.533 25.613 3.994) 27.620 4.528 ( 4.191 26.341 15.612) 30.906 5.079 ( 3.931 4.118 -1.563) 5.904 5.764 ( 1.567 22.118 6.744) 23.177 7.118 ( 0.095 6.045 24.585) 25.317 9.575 ( 1.415 3.606 -0.241) 3.881 10.240 ( 1.777 10.799 2.213) 11.166 12.301 ( -3.756 -42.932 -26.039) 50.352 19.615 ( -0.326 -5.408 1.601) 5.650 34.158 ( 2.743 5.079 0.538) 5.797 35.892 ( 3.682 26.826 -0.712) 27.087 61.328 ( -31.398 -153.423 88.504) 179.881======================= Grid point 1785 (599/781) =======================q-point: ( 0.50 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4004Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.578 ( 14.806 24.632 3.808) 28.991 4.873 ( 4.782 14.415 17.122) 22.887 5.224 ( 8.416 6.242 -0.748) 10.505 6.045 ( 2.613 24.462 1.141) 24.628 7.251 ( 0.031 5.010 17.230) 17.944 9.648 ( 2.730 3.767 0.290) 4.661 10.342 ( -1.115 2.431 8.229) 8.653 11.764 ( -1.299 -32.309 -32.004) 45.495 19.579 ( 0.154 -2.883 1.469) 3.239 34.284 ( 5.210 6.439 0.653) 8.308 36.206 ( 5.129 22.022 0.075) 22.611 59.535 ( -50.248 -134.017 74.285) 161.256======================= Grid point 1786 (600/781) =======================q-point: ( 0.55 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.088 ( 15.349 23.908 3.817) 28.666 5.081 ( 2.676 4.620 13.014) 14.066 5.488 ( 13.269 7.957 4.445) 16.098 6.310 ( 1.636 22.358 -5.286) 23.032 7.358 ( 1.030 4.978 10.992) 12.111 9.715 ( 1.104 -0.039 1.051) 1.525 10.281 ( -7.005 -6.787 12.505) 15.859 11.459 ( 8.235 -14.161 -36.482) 39.991 19.574 ( 0.779 -1.288 1.418) 2.068 34.459 ( 6.375 8.530 0.798) 10.679 36.481 ( 5.406 15.627 0.597) 16.546 57.653 ( -59.042 -113.495 59.019) 140.891======================= Grid point 1787 (601/781) =======================q-point: ( 0.60 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4004Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.568 ( 12.162 22.945 4.032) 26.280 5.181 ( 1.754 0.721 9.217) 9.410 5.828 ( 14.994 7.041 7.757) 18.291 6.460 ( -2.456 15.579 -11.902) 19.758 7.484 ( 3.949 5.913 6.921) 9.923 9.608 ( -7.052 -13.784 2.308) 15.654 10.205 ( -3.103 5.038 9.213) 10.950 11.448 ( 15.190 -4.736 -33.745) 37.308 19.587 ( 1.161 -0.657 1.229) 1.814 34.662 ( 5.774 11.198 0.887) 12.630 36.691 ( 5.252 8.248 0.834) 9.814 55.829 ( -60.306 -93.768 44.699) 120.113======================= Grid point 1788 (602/781) =======================q-point: ( 0.65 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.945 ( 4.998 18.603 5.340) 19.989 5.251 ( 3.417 1.333 5.394) 6.523 6.170 ( 12.246 8.208 8.760) 17.149 6.442 ( -5.740 7.645 -16.199) 18.809 7.652 ( 6.560 4.959 4.280) 9.271 9.321 ( -8.788 -14.831 1.581) 17.312 10.303 ( -2.161 13.935 8.105) 16.265 11.574 ( 18.772 -3.727 -31.565) 36.914 19.605 ( 1.239 -0.672 0.717) 1.581 34.868 ( 3.323 14.118 0.903) 14.532 36.824 ( 5.166 0.558 0.850) 5.265 54.168 ( -55.901 -75.697 33.127) 99.762======================= Grid point 1789 (603/781) =======================q-point: ( 0.70 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4004Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.089 ( -2.842 4.660 7.246) 9.071 5.401 ( 4.388 10.444 0.538) 11.341 6.268 ( -13.073 12.903 -12.832) 22.407 6.517 ( 13.886 1.710 6.063) 15.248 7.808 ( 6.476 0.796 2.352) 6.936 9.078 ( -6.048 -9.538 0.138) 11.295 10.425 ( -5.530 16.653 8.409) 19.458 11.761 ( 21.558 -3.155 -31.215) 38.066 19.619 ( 1.152 -0.919 -0.157) 1.482 35.045 ( -0.731 16.692 0.886) 16.731 36.886 ( 5.411 -6.533 0.780) 8.519 52.750 ( -47.041 -59.585 25.620) 80.122======================= Grid point 1790 (604/781) =======================q-point: ( 0.75 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.060 ( -4.927 -0.984 6.197) 7.978 5.511 ( -3.547 8.643 -2.820) 9.759 6.137 ( -11.776 15.430 -9.279) 21.515 6.780 ( 10.165 3.497 8.788) 13.885 7.887 ( 4.023 -4.618 1.115) 6.225 8.933 ( -2.698 -4.760 -1.490) 5.671 10.489 ( -9.329 15.510 8.008) 19.791 12.003 ( 22.978 0.279 -31.367) 38.884 19.625 ( 1.085 -1.053 -1.277) 1.979 35.165 ( -5.716 17.951 0.889) 18.860 36.893 ( 5.881 -11.770 0.781) 13.180 51.640 ( -34.486 -45.474 23.031) 61.544======================= Grid point 1791 (605/781) =======================q-point: (-0.20 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4004Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.961 ( -7.049 -2.871 5.205) 9.220 5.424 ( -12.152 5.366 -3.271) 13.681 6.111 ( -9.188 18.201 -3.329) 20.659 6.985 ( 5.743 3.470 9.814) 11.888 7.859 ( 0.497 -9.529 0.308) 9.547 8.876 ( 0.289 -1.498 -2.898) 3.275 10.473 ( -11.569 11.919 6.715) 17.916 12.295 ( 21.953 6.031 -31.715) 39.040 19.627 ( 1.157 -0.886 -2.449) 2.849 35.202 ( -10.456 16.803 0.945) 19.813 36.869 ( 5.931 -13.828 0.960) 15.077 50.897 ( -18.791 -33.364 25.825) 46.187======================= Grid point 1804 (606/781) =======================q-point: ( 0.45 0.45 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2110Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.281 ( -0.000 24.601 3.319) 24.824 4.792 ( -0.000 20.172 18.031) 27.056 5.072 ( 0.000 3.249 -1.593) 3.619 6.009 ( -0.000 26.363 3.107) 26.546 7.256 ( -0.000 5.214 18.857) 19.565 9.589 ( 0.000 2.895 -0.521) 2.942 10.344 ( -0.000 9.063 5.951) 10.842 11.816 ( 0.000 -41.658 -25.601) 48.896 19.579 ( -0.000 -3.792 1.978) 4.277 34.179 ( -0.000 4.520 0.231) 4.526 36.126 ( -0.000 26.539 0.201) 26.539 60.424 ( -0.000 -147.589 75.292) 165.684======================= Grid point 1805 (607/781) =======================q-point: ( 0.50 0.45 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.609 ( 9.538 23.232 2.901) 25.281 5.027 ( 0.534 11.028 17.785) 20.933 5.147 ( 5.847 4.077 0.395) 7.139 6.284 ( 0.176 28.216 -1.433) 28.253 7.361 ( -0.404 4.760 12.947) 13.800 9.634 ( 2.152 2.584 -0.250) 3.371 10.422 ( -1.576 -0.640 12.837) 12.949 11.347 ( 0.223 -29.753 -29.081) 41.605 19.560 ( 0.133 -2.015 2.243) 3.019 34.257 ( 3.953 4.817 0.161) 6.234 36.385 ( 0.990 23.551 0.797) 23.585 59.099 ( -23.396 -134.251 61.026) 149.315======================= Grid point 1806 (608/781) =======================q-point: ( 0.55 0.45 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.055 ( 15.367 21.729 2.678) 26.748 5.151 ( 0.466 3.879 10.457) 11.163 5.354 ( 10.858 4.133 7.987) 14.099 6.528 ( -1.384 25.830 -6.891) 26.769 7.441 ( -0.327 5.390 8.437) 10.017 9.687 ( 1.553 -1.144 0.723) 2.060 10.332 ( -3.981 -15.620 13.884) 21.275 11.108 ( 5.275 -5.991 -27.653) 28.782 19.560 ( 0.429 -0.774 2.345) 2.507 34.408 ( 7.544 5.884 0.212) 9.569 36.608 ( 0.412 18.575 1.070) 18.611 57.549 ( -38.301 -117.075 46.392) 131.627======================= Grid point 1807 (609/781) =======================q-point: ( 0.60 0.45 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.544 ( 16.540 20.189 2.546) 26.223 5.213 ( -0.182 0.677 9.173) 9.200 5.636 ( 15.164 2.204 7.990) 17.281 6.662 ( -5.075 19.604 -12.600) 23.850 7.533 ( 0.938 7.126 6.045) 9.391 9.584 ( -5.726 -14.883 2.514) 16.143 10.262 ( 4.053 -1.953 7.189) 8.481 11.123 ( 7.316 1.849 -19.814) 21.203 19.574 ( 0.615 -0.279 2.172) 2.274 34.622 ( 9.728 7.713 0.283) 12.418 36.760 ( -0.779 12.173 1.057) 12.243 55.933 ( -45.662 -98.737 32.754) 113.608======================= Grid point 1808 (610/781) =======================q-point: ( 0.65 0.45 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.999 ( 13.132 18.283 2.853) 22.690 5.232 ( -0.102 -1.921 7.060) 7.317 5.961 ( 17.723 1.244 7.020) 19.103 6.648 ( -9.108 14.431 -15.577) 23.105 7.652 ( 2.269 6.923 4.352) 8.486 9.312 ( -7.275 -16.220 2.126) 17.903 10.441 ( 6.677 11.118 6.873) 14.678 11.198 ( 8.981 -0.634 -17.409) 19.599 19.589 ( 0.609 -0.353 1.648) 1.792 34.878 ( 9.873 10.314 0.329) 14.282 36.824 ( -1.784 4.794 0.844) 5.184 54.376 ( -46.732 -80.922 21.592) 95.909======================= Grid point 1809 (611/781) =======================q-point: ( 0.70 0.45 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.189 ( -2.972 -0.713 7.609) 8.200 5.384 ( 10.343 12.250 -1.130) 16.072 6.285 ( 15.696 -0.175 4.488) 16.326 6.561 ( -9.480 14.998 -11.860) 21.341 7.757 ( 2.452 2.989 2.596) 4.657 9.077 ( -5.374 -10.855 1.007) 12.154 10.699 ( 0.568 19.126 11.269) 22.206 11.292 ( 15.056 -4.929 -20.889) 26.217 19.598 ( 0.502 -0.647 0.802) 1.146 35.146 ( 7.512 13.634 0.373) 15.571 36.803 ( -1.782 -3.122 0.565) 3.638 52.978 ( -42.579 -64.554 14.139) 78.614======================= Grid point 1810 (612/781) =======================q-point: ( 0.75 0.45 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.134 ( -3.639 -3.199 4.686) 6.740 5.599 ( 2.612 9.273 -2.595) 9.977 6.388 ( -4.594 8.795 -7.038) 12.165 6.686 ( 9.064 9.347 5.354) 14.077 7.800 ( 1.583 -3.109 1.088) 3.655 8.928 ( -3.041 -5.729 -0.314) 6.494 10.851 ( -9.916 16.975 13.443) 23.816 11.503 ( 23.775 -0.120 -23.919) 33.725 19.600 ( 0.445 -0.823 -0.235) 0.964 35.384 ( 2.111 17.234 0.475) 17.369 36.720 ( 0.228 -10.807 0.366) 10.816 51.819 ( -33.985 -50.072 11.256) 61.554======================= Grid point 1811 (613/781) =======================q-point: (-0.20 0.45 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.045 ( -4.667 -3.506 2.874) 6.506 5.626 ( -6.216 5.509 -2.377) 8.640 6.391 ( -5.837 14.373 -3.329) 15.866 6.945 ( 8.436 6.886 7.410) 13.171 7.755 ( 0.114 -9.463 -0.089) 9.464 8.855 ( -0.844 -2.039 -1.530) 2.685 10.818 ( -12.877 8.560 9.681) 18.243 11.878 ( 23.876 10.726 -22.627) 34.600 19.597 ( 0.549 -0.676 -1.275) 1.544 35.532 ( -6.393 18.855 0.646) 19.919 36.627 ( 4.806 -15.746 0.398) 16.468 50.967 ( -21.558 -37.687 13.412) 45.441======================= Grid point 1825 (614/781) =======================q-point: ( 0.50 0.50 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.755 ( -0.000 21.882 2.258) 21.999 5.113 ( 0.000 2.194 -1.756) 2.810 5.195 ( -0.000 6.487 21.259) 22.226 6.552 ( 0.000 28.466 -5.144) 28.928 7.453 ( -0.000 5.183 8.708) 10.134 9.637 ( 0.000 2.316 -0.351) 2.343 10.409 ( -0.000 -21.040 16.010) 26.439 11.032 ( 0.000 -7.718 -25.159) 26.316 19.554 ( -0.000 -0.934 2.815) 2.966 34.264 ( -0.000 4.116 -0.089) 4.117 36.609 ( -0.000 22.287 1.198) 22.319 58.221 ( -0.000 -126.659 46.938) 135.077======================= Grid point 1826 (615/781) =======================q-point: ( 0.55 0.50 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.050 ( 9.437 20.171 1.806) 22.342 5.159 ( 3.596 1.735 -0.943) 4.102 5.328 ( 2.118 1.191 20.525) 20.669 6.773 ( -1.620 24.488 -10.281) 26.608 7.535 ( -0.379 7.050 6.212) 9.404 9.662 ( 0.290 -0.588 0.383) 0.759 10.162 ( 0.933 -31.145 6.564) 31.843 11.010 ( 0.927 9.952 -9.909) 14.074 19.562 ( 0.138 -0.137 3.093) 3.099 34.345 ( 5.012 4.165 -0.166) 6.519 36.808 ( -1.177 18.858 1.265) 18.937 57.042 ( -17.792 -113.752 32.792) 119.713======================= Grid point 1827 (616/781) =======================q-point: ( 0.60 0.50 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4004Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.458 ( 15.405 17.977 1.354) 23.714 5.234 ( 2.502 0.557 2.945) 3.904 5.471 ( 8.250 -1.942 15.305) 17.495 6.878 ( -4.559 17.716 -15.355) 23.883 7.632 ( -0.389 9.636 5.322) 11.015 9.537 ( -5.796 -16.692 2.681) 17.872 10.073 ( 11.388 -8.817 -0.025) 14.402 11.107 ( -0.411 11.204 -0.249) 11.214 19.577 ( 0.154 0.149 3.008) 3.016 34.513 ( 9.657 4.825 -0.182) 10.796 36.935 ( -3.487 13.938 1.069) 14.407 55.704 ( -29.414 -98.066 19.696) 104.260======================= Grid point 1828 (617/781) =======================q-point: ( 0.65 0.50 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.898 ( 16.721 14.598 0.353) 22.200 5.261 ( -0.761 -1.495 6.886) 7.088 5.700 ( 15.539 -2.002 9.180) 18.159 6.861 ( -7.136 13.040 -17.244) 22.766 7.737 ( -0.744 9.394 4.189) 10.313 9.269 ( -5.814 -16.921 2.715) 18.097 10.288 ( 17.073 1.917 -2.798) 17.406 11.193 ( -3.082 9.656 5.781) 11.668 19.590 ( 0.022 0.006 2.553) 2.553 34.757 ( 13.005 6.062 -0.203) 14.350 36.965 ( -6.127 8.071 0.718) 10.159 54.332 ( -35.152 -81.631 8.893) 89.322======================= Grid point 1829 (618/781) =======================q-point: ( 0.70 0.50 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4004Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.203 ( 2.733 -2.697 0.363) 3.856 5.318 ( 9.204 9.818 5.187) 14.423 6.010 ( 18.526 -0.782 6.518) 19.655 6.790 ( -7.649 12.394 -15.085) 20.969 7.805 ( -1.724 5.559 2.673) 6.404 9.056 ( -4.248 -11.260 2.032) 12.205 10.637 ( 21.435 5.923 -6.851) 23.270 11.230 ( -6.968 8.827 11.141) 15.830 19.596 ( -0.167 -0.294 1.801) 1.832 35.059 ( 14.492 7.918 -0.229) 16.515 36.891 ( -8.415 1.664 0.347) 8.585 53.032 ( -35.569 -65.830 1.504) 74.840======================= Grid point 1830 (619/781) =======================q-point: ( 0.75 0.50 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.154 ( -1.937 -4.823 1.537) 5.420 5.579 ( 8.237 6.436 0.427) 10.462 6.322 ( 14.324 1.259 4.357) 15.025 6.769 ( -3.003 13.680 -8.910) 16.600 7.799 ( -3.054 -0.423 1.237) 3.322 8.920 ( -2.685 -6.051 1.033) 6.700 11.024 ( 21.988 -2.178 -16.898) 27.817 11.251 ( -8.450 19.464 20.160) 29.269 19.593 ( -0.268 -0.460 0.894) 1.040 35.387 ( 13.610 10.614 -0.193) 17.260 36.721 ( -9.550 -5.133 0.083) 10.842 51.893 ( -31.216 -51.502 -1.623) 60.246======================= Grid point 1831 (620/781) =======================q-point: ( 0.80 0.50 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2012Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.072 ( -2.577 -4.463 -0.000) 5.153 5.704 ( 1.369 2.372 0.000) 2.739 6.516 ( 3.849 6.667 -0.000) 7.698 6.914 ( 6.585 11.406 0.000) 13.171 7.702 ( -4.250 -7.362 -0.000) 8.501 8.850 ( -1.278 -2.214 -0.000) 2.557 11.041 ( -3.491 -6.047 -0.000) 6.983 11.632 ( 14.843 25.709 -0.000) 29.687 19.587 ( -0.173 -0.300 -0.000) 0.346 35.706 ( 8.646 14.976 -0.000) 17.292 36.484 ( -7.422 -12.855 -0.000) 14.844 50.991 ( -22.592 -39.130 -0.000) 45.184======================= Grid point 1847 (621/781) =======================q-point: ( 0.55 0.55 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2110Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.163 ( -0.000 18.615 1.197) 18.654 5.127 ( 0.000 0.517 -1.667) 1.746 5.391 ( -0.000 -2.573 21.525) 21.678 6.955 ( 0.000 19.071 -15.054) 24.297 7.643 ( -0.000 10.125 5.433) 11.491 9.675 ( -0.000 1.721 0.057) 1.722 9.830 ( -0.000 -33.571 2.824) 33.689 11.121 ( -0.000 14.095 3.567) 14.540 19.575 ( -0.000 0.319 3.535) 3.549 34.336 ( 0.000 3.366 -0.340) 3.383 37.000 ( -0.000 16.781 1.137) 16.819 56.219 ( -0.000 -104.836 19.155) 106.571======================= Grid point 1848 (622/781) =======================q-point: ( 0.60 0.55 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.417 ( 9.028 16.490 0.599) 18.809 5.163 ( 4.592 -0.246 -1.525) 4.845 5.437 ( 1.155 -5.835 20.323) 21.176 7.024 ( -2.468 13.043 -18.539) 22.801 7.768 ( -0.660 12.058 4.849) 13.013 9.467 ( -5.914 -21.674 2.733) 22.632 9.803 ( 10.636 -3.564 -0.590) 11.233 11.280 ( -1.479 14.128 11.974) 18.579 19.592 ( -0.074 0.437 3.604) 3.632 34.415 ( 5.848 3.165 -0.420) 6.663 37.128 ( -2.806 13.113 0.776) 13.433 55.186 ( -13.658 -92.234 6.534) 93.468======================= Grid point 1849 (623/781) =======================q-point: ( 0.65 0.55 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.765 ( 14.091 12.850 -0.529) 19.078 5.240 ( 4.234 -1.085 1.124) 4.514 5.503 ( 7.535 -6.826 15.603) 18.624 7.001 ( -4.452 9.905 -18.898) 21.796 7.876 ( -1.902 10.490 3.592) 11.250 9.203 ( -4.385 -16.614 3.229) 17.483 9.998 ( 15.152 -0.221 -2.656) 15.384 11.427 ( -4.131 13.702 18.483) 23.376 19.606 ( -0.331 0.270 3.311) 3.338 34.590 ( 11.298 3.342 -0.494) 11.792 37.160 ( -6.352 8.570 0.313) 10.672 54.050 ( -22.632 -77.853 -3.956) 81.172======================= Grid point 1850 (624/781) =======================q-point: ( 0.70 0.55 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.072 ( 10.541 3.339 -3.612) 11.632 5.294 ( 3.626 0.057 7.174) 8.038 5.712 ( 17.311 -3.095 8.298) 19.445 6.943 ( -5.111 9.410 -16.555) 19.716 7.924 ( -3.658 6.414 2.168) 7.696 9.021 ( -3.152 -10.451 3.063) 11.338 10.279 ( 19.447 0.755 -6.156) 20.412 11.548 ( -7.127 14.440 23.853) 28.779 19.610 ( -0.650 0.020 2.736) 2.812 34.851 ( 15.575 3.732 -0.593) 16.027 37.082 ( -9.995 3.788 -0.112) 10.689 52.910 ( -26.871 -63.256 -11.278) 69.646======================= Grid point 1851 (625/781) =======================q-point: ( 0.75 0.55 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.114 ( 0.698 -5.293 -2.423) 5.863 5.465 ( 10.103 1.060 4.243) 11.009 6.053 ( 19.946 0.745 5.465) 20.694 6.904 ( -3.589 10.095 -12.581) 16.525 7.888 ( -5.827 1.145 0.951) 6.015 8.911 ( -2.160 -5.428 2.414) 6.321 10.594 ( 20.681 -1.321 -10.314) 23.148 11.668 ( -8.224 18.468 27.073) 33.788 19.606 ( -0.869 -0.076 2.011) 2.192 35.174 ( 18.311 4.108 -0.673) 18.778 36.899 ( -13.293 -0.603 -0.374) 13.312 51.856 ( -26.532 -49.561 -14.603) 58.082======================= Grid point 1869 (626/781) =======================q-point: ( 0.60 0.60 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.493 ( -0.000 14.718 -0.043) 14.718 5.106 ( 0.000 -1.509 -1.162) 1.904 5.434 ( -0.000 -8.754 19.250) 21.147 7.077 ( 0.000 9.256 -19.967) 22.008 7.911 ( -0.000 11.823 3.860) 12.437 9.309 ( -0.000 -21.544 2.907) 21.739 9.705 ( -0.000 1.131 0.581) 1.271 11.497 ( -0.000 14.684 20.263) 25.024 19.612 ( -0.000 0.498 3.883) 3.914 34.388 ( 0.000 2.321 -0.525) 2.380 37.272 ( -0.000 10.472 0.281) 10.476 54.446 ( 0.000 -82.460 -5.692) 82.656======================= Grid point 1870 (627/781) =======================q-point: ( 0.65 0.60 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.692 ( 7.829 11.456 -1.126) 13.921 5.132 ( 5.375 -1.652 -0.787) 5.678 5.415 ( 1.409 -10.892 16.970) 20.214 7.065 ( -1.923 7.542 -19.164) 20.685 8.014 ( -1.419 8.833 2.536) 9.299 9.120 ( -2.280 -14.430 3.636) 15.055 9.790 ( 8.428 0.418 -0.118) 8.439 11.711 ( -2.450 14.766 26.822) 30.716 19.629 ( -0.335 0.380 3.836) 3.869 34.460 ( 6.406 1.881 -0.608) 6.704 37.325 ( -3.870 6.871 -0.268) 7.890 53.567 ( -10.550 -70.282 -15.930) 72.833======================= Grid point 1871 (628/781) =======================q-point: ( 0.70 0.60 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4004Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.919 ( 9.493 3.693 -3.579) 10.796 5.229 ( 5.633 -1.525 2.849) 6.494 5.453 ( 10.806 -8.148 11.404) 17.698 7.025 ( -2.877 7.080 -16.690) 18.356 8.047 ( -3.300 4.594 1.241) 5.790 8.987 ( -2.193 -8.315 3.929) 9.455 9.981 ( 14.093 0.034 -2.269) 14.275 11.905 ( -5.103 15.400 31.736) 35.642 19.636 ( -0.792 0.243 3.518) 3.615 34.633 ( 12.293 1.539 -0.727) 12.411 37.271 ( -8.037 3.069 -0.727) 8.634 52.630 ( -17.456 -57.196 -23.198) 64.142======================= Grid point 1873 (629/781) =======================q-point: (-0.25 -0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.010 ( 3.972 -4.859 -5.141) 8.113 5.309 ( 7.713 -5.560 5.890) 11.185 5.732 ( 20.453 0.226 5.057) 21.070 6.988 ( -2.513 6.842 -13.375) 15.232 7.998 ( -5.640 0.105 0.222) 5.645 8.910 ( -1.812 -3.777 3.650) 5.556 10.232 ( 17.242 -1.092 -5.100) 18.013 12.087 ( -6.789 17.625 34.077) 38.961 19.634 ( -1.182 0.264 3.023) 3.256 34.891 ( 16.932 0.939 -0.867) 16.980 37.112 ( -11.916 -0.167 -0.976) 11.957 51.715 ( -20.465 -44.442 -26.680) 55.729======================= Grid point 1891 (630/781) =======================q-point: ( 0.65 0.65 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2110Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.719 ( 0.000 8.435 -2.082) 8.688 5.062 ( -0.000 -1.899 0.339) 1.929 5.346 ( -0.000 -13.431 14.150) 19.510 7.076 ( 0.000 6.233 -18.007) 19.056 8.103 ( -0.000 5.216 1.372) 5.393 9.033 ( -0.000 -10.021 4.114) 10.833 9.727 ( -0.000 0.508 1.039) 1.157 11.992 ( -0.000 14.995 33.434) 36.643 19.651 ( -0.000 0.383 4.090) 4.108 34.417 ( 0.000 1.051 -0.664) 1.243 37.410 ( 0.000 3.992 -0.861) 4.084 52.937 ( 0.000 -60.050 -26.017) 65.444======================= Grid point 1893 (631/781) =======================q-point: (-0.30 -0.35 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.807 ( 4.946 1.162 -3.667) 6.266 5.118 ( 6.349 0.607 1.082) 6.469 5.275 ( 3.437 -14.015 10.859) 18.060 7.056 ( -1.158 5.200 -15.862) 16.732 8.123 ( -1.779 1.190 0.307) 2.162 8.965 ( -1.116 -5.271 4.548) 7.051 9.797 ( 7.248 0.003 0.381) 7.258 12.254 ( -2.652 15.290 38.252) 41.280 19.666 ( -0.549 0.397 4.078) 4.133 34.478 ( 6.649 0.402 -0.753) 6.704 37.393 ( -4.357 0.798 -1.314) 4.620 52.222 ( -8.237 -48.450 -33.275) 59.350======================= Grid point 1894 (632/781) =======================q-point: (-0.25 -0.35 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.858 ( 5.261 -5.584 -5.203) 9.269 5.146 ( 4.033 -11.922 4.606) 13.402 5.429 ( 17.245 0.515 3.954) 17.700 7.021 ( -1.383 3.719 -13.172) 13.757 8.068 ( -3.911 -2.538 -0.493) 4.689 8.928 ( -1.469 -1.515 4.509) 4.978 9.960 ( 12.296 -0.841 -1.428) 12.407 12.493 ( -4.820 16.393 40.432) 43.894 19.671 ( -1.114 0.553 3.837) 4.033 34.638 ( 12.542 -0.442 -0.893) 12.582 37.272 ( -8.498 -1.939 -1.514) 8.847 51.485 ( -13.619 -36.720 -36.894) 53.805======================= Grid point 1914 (633/781) =======================q-point: (-0.30 -0.30 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.740 ( 0.000 -3.979 -3.711) 5.441 5.085 ( -0.000 3.377 1.592) 3.733 5.125 ( -0.000 -17.628 6.782) 18.888 7.048 ( 0.000 3.045 -14.430) 14.748 8.132 ( 0.000 -2.282 -0.445) 2.325 8.957 ( -0.000 -2.068 4.927) 5.344 9.739 ( -0.000 -0.210 1.261) 1.278 12.578 ( -0.000 14.977 43.080) 45.609 19.692 ( -0.000 0.563 4.369) 4.405 34.418 ( 0.000 -0.351 -0.782) 0.857 37.418 ( 0.000 -1.976 -1.714) 2.615 51.726 ( 0.000 -38.091 -40.595) 55.667======================= Grid point 1915 (634/781) =======================q-point: (-0.25 -0.30 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.697 ( 3.490 -8.283 -4.018) 9.846 4.969 ( 1.392 -18.272 2.474) 18.491 5.218 ( 10.269 2.910 1.802) 10.825 7.007 ( -0.489 0.143 -12.475) 12.486 8.075 ( -1.928 -5.429 -0.960) 5.840 8.962 ( -0.829 0.864 4.834) 4.980 9.794 ( 6.264 -0.770 0.623) 6.342 12.872 ( -2.478 15.056 45.340) 47.838 19.709 ( -0.678 0.833 4.372) 4.502 34.464 ( 6.568 -1.154 -0.872) 6.725 37.343 ( -4.296 -4.458 -1.821) 6.453 51.187 ( -6.598 -27.277 -44.359) 52.491======================= Grid point 1936 (635/781) =======================q-point: (-0.25 -0.25 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2110Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.557 ( 0.000 -11.303 -3.049) 11.707 4.762 ( 0.000 -21.951 -0.888) 21.969 5.168 ( -0.000 3.449 0.710) 3.521 6.946 ( 0.000 -4.092 -11.213) 11.936 8.021 ( 0.000 -8.247 -1.197) 8.333 9.008 ( -0.000 3.269 4.516) 5.575 9.736 ( -0.000 -1.062 1.141) 1.559 13.211 ( -0.000 13.980 47.840) 49.841 19.742 ( -0.000 1.165 4.565) 4.711 34.391 ( 0.000 -1.765 -0.892) 1.978 37.317 ( 0.000 -6.823 -1.794) 7.055 50.848 ( 0.000 -17.178 -48.280) 51.245======================= Grid point 2127 (636/781) =======================q-point: ( 0.25 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 770Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.871 ( -0.000 0.000 11.920) 11.920 0.871 ( -0.000 0.000 11.920) 11.920 4.830 ( -0.000 0.000 0.014) 0.014 4.830 ( 0.000 0.000 0.014) 0.014 5.288 ( -0.000 0.000 83.075) 83.075 9.291 ( -0.000 0.000 0.210) 0.210 9.291 ( -0.000 0.000 0.210) 0.210 15.725 ( 0.000 -0.000 -34.648) 34.648 20.579 ( -0.000 0.000 7.555) 7.555 33.827 ( -0.000 0.000 1.190) 1.190 33.827 ( -0.000 0.000 1.190) 1.190 73.415 ( 0.000 -0.000 -1.354) 1.354======================= Grid point 2128 (637/781) =======================q-point: ( 0.30 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2110Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.108 ( 16.420 9.480 9.633) 21.267 1.434 ( 36.810 21.253 8.270) 43.302 4.835 ( 0.788 0.455 -0.017) 0.910 4.841 ( 0.886 0.512 8.047) 8.112 5.675 ( 6.449 3.723 71.262) 71.650 9.275 ( -0.078 -0.045 0.330) 0.342 9.411 ( 8.916 5.148 -0.940) 10.338 15.410 ( -15.730 -9.082 -32.386) 37.132 20.457 ( -12.028 -6.944 7.611) 15.837 33.831 ( 0.642 0.371 1.244) 1.448 34.041 ( 17.098 9.872 -1.059) 19.772 71.913 (-124.652 -71.968 39.344) 149.216======================= Grid point 2129 (638/781) =======================q-point: ( 0.35 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.595 ( 22.783 13.154 7.300) 27.302 2.366 ( 41.718 24.086 7.094) 48.691 4.863 ( 1.695 0.979 -0.160) 1.964 4.952 ( 5.329 3.077 14.066) 15.353 6.085 ( 7.815 4.512 58.133) 58.829 9.291 ( 1.396 0.806 0.640) 1.734 9.660 ( 13.294 7.675 -2.667) 15.581 14.815 ( -25.928 -14.970 -28.589) 41.397 20.174 ( -14.085 -8.132 6.212) 17.410 33.865 ( 1.948 1.125 1.382) 2.640 34.521 ( 25.183 14.540 -3.911) 29.341 68.767 (-167.425 -96.663 93.882) 214.915======================= Grid point 2130 (639/781) =======================q-point: ( 0.40 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2110Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.152 ( 24.119 13.925 5.962) 28.482 3.315 ( 39.596 22.861 8.235) 46.457 4.908 ( 2.330 1.345 -0.346) 2.712 5.184 ( 10.050 5.802 16.084) 19.834 6.458 ( 7.745 4.471 45.228) 46.104 9.341 ( 2.724 1.572 0.989) 3.297 9.960 ( 13.636 7.873 -2.614) 15.961 14.075 ( -29.104 -16.803 -28.988) 44.381 19.915 ( -10.092 -5.827 3.303) 12.112 33.927 ( 3.061 1.767 1.543) 3.856 35.097 ( 26.892 15.526 -4.528) 31.380 65.394 (-165.597 -95.608 116.824) 224.079======================= Grid point 2131 (640/781) =======================q-point: ( 0.45 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.709 ( 23.380 13.499 5.073) 27.470 4.182 ( 33.744 19.482 11.370) 40.590 4.963 ( 2.633 1.520 -0.495) 3.080 5.517 ( 14.206 8.202 14.068) 21.610 6.776 ( 7.452 4.303 32.281) 33.409 9.418 ( 3.635 2.099 1.191) 4.363 10.216 ( 8.512 4.915 0.831) 9.864 13.340 ( -24.141 -13.938 -35.665) 45.266 19.751 ( -5.275 -3.046 0.872) 6.153 34.011 ( 3.823 2.207 1.653) 4.714 35.673 ( 25.375 14.650 -3.412) 29.499 62.283 (-150.171 -86.701 114.282) 207.674======================= Grid point 2132 (641/781) =======================q-point: ( 0.50 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2110Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.233 ( 21.504 12.415 4.367) 25.212 4.893 ( 24.356 14.062 16.446) 32.580 5.020 ( 2.529 1.460 -0.563) 2.974 5.915 ( 17.131 9.891 7.749) 21.245 7.046 ( 8.095 4.674 20.126) 22.190 9.509 ( 3.960 2.286 1.104) 4.704 10.296 ( -3.744 -2.162 6.720) 7.991 12.784 ( -10.162 -5.867 -46.052) 47.524 19.677 ( -1.707 -0.986 -0.334) 1.999 34.108 ( 4.123 2.380 1.655) 5.040 36.200 ( 22.234 12.837 -1.719) 25.732 59.523 (-131.915 -76.161 99.743) 182.073======================= Grid point 2133 (642/781) =======================q-point: ( 0.55 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.703 ( 18.883 10.902 3.801) 22.133 5.069 ( 1.941 1.121 -0.572) 2.313 5.388 ( 13.408 7.741 20.498) 25.688 6.312 ( 16.139 9.318 -0.995) 18.663 7.311 ( 10.697 6.176 10.872) 16.455 9.599 ( 3.677 2.123 0.692) 4.302 10.086 ( -16.665 -9.621 8.255) 20.939 12.559 ( 6.114 3.530 -51.519) 52.001 19.662 ( 0.330 0.191 -0.681) 0.780 34.205 ( 3.919 2.263 1.534) 4.779 36.651 ( 18.088 10.443 -0.194) 20.887 57.116 (-113.222 -65.369 81.954) 154.301======================= Grid point 2134 (643/781) =======================q-point: ( 0.60 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2110Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.106 ( 15.694 9.061 3.434) 18.445 5.099 ( 0.875 0.505 -0.612) 1.181 5.652 ( 3.474 2.006 18.934) 19.354 6.602 ( 10.974 6.336 -7.625) 14.789 7.615 ( 13.131 7.581 5.975) 16.297 9.675 ( 2.905 1.677 0.047) 3.354 9.685 ( -19.479 -11.246 4.849) 23.009 12.609 ( 14.205 8.201 -50.424) 53.024 19.678 ( 1.163 0.672 -0.807) 1.567 34.292 ( 3.250 1.876 1.319) 3.978 37.005 ( 13.262 7.657 0.871) 15.339 55.065 ( -94.359 -54.478 65.554) 127.156======================= Grid point 2135 (644/781) =======================q-point: ( 0.65 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.429 ( 11.802 6.814 3.394) 14.044 5.101 ( -0.364 -0.210 -0.840) 0.939 5.688 ( -5.354 -3.091 11.189) 12.783 6.764 ( 6.700 3.868 -7.633) 10.868 7.912 ( 10.756 6.210 3.550) 12.917 9.310 ( -14.149 -8.169 1.835) 16.441 9.728 ( 1.854 1.070 -0.646) 2.236 12.768 ( 16.049 9.266 -48.350) 51.780 19.702 ( 1.264 0.730 -1.190) 1.883 34.358 ( 2.220 1.282 1.079) 2.781 37.250 ( 8.086 4.668 1.476) 9.453 53.384 ( -75.210 -43.422 52.914) 101.695======================= Grid point 2136 (645/781) =======================q-point: ( 0.70 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2110Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.648 ( 5.989 3.458 3.799) 7.891 5.084 ( -0.348 -0.201 -1.409) 1.465 5.508 ( -12.506 -7.221 2.509) 14.657 6.865 ( 4.134 2.387 -2.063) 5.201 8.094 ( 4.233 2.444 2.063) 5.305 9.083 ( -6.333 -3.656 -0.440) 7.326 9.753 ( 0.759 0.438 -1.168) 1.460 12.943 ( 15.498 8.948 -47.199) 50.477 19.723 ( 1.079 0.623 -2.010) 2.365 34.398 ( 0.977 0.564 0.892) 1.439 37.379 ( 2.934 1.694 1.759) 3.818 52.099 ( -55.621 -32.113 45.311) 78.600======================= Grid point 2137 (646/781) =======================q-point: (-0.25 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.697 ( -3.169 -1.830 3.759) 5.246 5.102 ( 2.621 1.513 -1.444) 3.353 5.172 ( -16.989 -9.809 -1.258) 19.658 6.934 ( 1.367 0.789 4.892) 5.140 8.121 ( -2.134 -1.232 1.429) 2.849 9.002 ( -0.892 -0.515 -2.992) 3.164 9.754 ( -0.194 -0.112 -1.352) 1.371 13.097 ( 14.054 8.114 -47.073) 49.792 19.735 ( 0.942 0.544 -3.194) 3.374 34.409 ( -0.319 -0.184 0.822) 0.901 37.398 ( -1.822 -1.052 1.856) 2.805 51.242 ( -35.501 -20.496 43.548) 59.806======================= Grid point 2148 (647/781) =======================q-point: ( 0.30 0.30 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.176 ( -0.000 19.443 8.958) 21.407 1.438 ( -0.000 41.434 8.093) 42.217 4.849 ( 0.000 1.631 -0.131) 1.636 4.851 ( -0.000 2.472 4.398) 5.045 5.950 ( -0.000 4.899 72.362) 72.527 9.336 ( -0.000 2.769 0.066) 2.769 9.347 ( 0.000 6.967 -0.640) 6.996 15.280 ( 0.000 -18.023 -33.179) 37.758 20.483 ( -0.000 -14.301 7.348) 16.078 33.865 ( -0.000 2.190 1.095) 2.448 34.008 ( -0.000 17.613 -0.567) 17.622 72.051 ( -0.000 -131.047 32.716) 135.069======================= Grid point 2149 (648/781) =======================q-point: ( 0.35 0.30 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.516 ( 11.299 23.001 7.280) 26.640 2.122 ( 24.825 40.160 6.828) 47.705 4.867 ( 0.251 2.654 -0.045) 2.667 4.944 ( 4.003 4.934 7.035) 9.479 6.283 ( 2.591 4.730 63.646) 63.874 9.323 ( -2.006 3.964 0.342) 4.456 9.535 ( 9.725 8.926 -2.047) 13.358 14.836 ( -12.825 -24.474 -30.303) 41.009 20.279 ( -8.271 -15.469 6.707) 18.780 33.883 ( -0.477 3.359 1.193) 3.597 34.339 ( 14.812 21.418 -2.389) 26.151 70.035 ( -86.637 -149.146 67.289) 185.144======================= Grid point 2150 (649/781) =======================q-point: ( 0.40 0.30 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.013 ( 16.900 23.199 5.995) 29.321 3.001 ( 32.006 34.104 7.020) 47.294 4.908 ( 0.892 3.654 -0.282) 3.772 5.137 ( 8.128 7.011 9.509) 14.340 6.598 ( 3.265 4.043 52.043) 52.302 9.349 ( 0.131 4.180 0.841) 4.265 9.809 ( 12.545 9.885 -3.177) 16.285 14.176 ( -21.036 -27.628 -28.390) 44.853 20.012 ( -9.028 -11.750 4.671) 15.537 33.930 ( 1.018 4.130 1.406) 4.480 34.849 ( 21.149 21.422 -3.529) 30.309 67.111 (-122.571 -140.230 94.566) 208.880======================= Grid point 2151 (650/781) =======================q-point: ( 0.45 0.30 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.556 ( 18.191 22.440 5.112) 29.336 3.879 ( 32.227 27.392 8.693) 43.180 4.964 ( 1.083 4.708 -0.463) 4.853 5.421 ( 11.993 8.534 9.682) 17.618 6.862 ( 3.246 3.299 39.229) 39.501 9.411 ( 1.607 4.525 1.204) 4.950 10.099 ( 11.724 8.078 -1.915) 14.366 13.419 ( -22.773 -26.461 -30.965) 46.665 19.806 ( -5.928 -7.032 2.256) 9.470 34.006 ( 2.008 4.946 1.583) 5.569 35.410 ( 22.936 19.102 -3.184) 30.018 64.059 (-129.422 -122.922 100.770) 204.975======================= Grid point 2152 (651/781) =======================q-point: ( 0.50 0.30 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.088 ( 17.351 21.230 4.412) 27.771 4.654 ( 27.263 18.599 11.955) 35.102 5.034 ( 1.384 6.832 -0.541) 6.991 5.769 ( 14.779 9.483 6.753) 18.813 7.074 ( 3.743 3.065 26.211) 26.654 9.496 ( 2.318 4.778 1.284) 5.464 10.303 ( 4.553 2.128 3.303) 6.014 12.720 ( -15.595 -19.574 -39.178) 46.489 19.692 ( -2.453 -3.382 0.616) 4.223 34.102 ( 2.362 5.734 1.657) 6.419 35.952 ( 22.097 15.700 -2.003) 27.180 61.181 (-123.374 -105.070 92.320) 186.504======================= Grid point 2153 (652/781) =======================q-point: ( 0.55 0.30 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.579 ( 15.346 19.645 3.823) 25.220 5.050 ( 3.493 2.706 2.596) 5.124 5.311 ( 15.878 14.969 13.014) 25.408 6.134 ( 15.383 9.057 0.612) 17.861 7.265 ( 6.324 4.096 14.713) 16.530 9.586 ( 2.247 4.683 1.007) 5.291 10.259 ( -9.988 -8.015 8.964) 15.632 12.291 ( 1.023 -6.886 -48.081) 48.583 19.652 ( -0.015 -1.192 -0.166) 1.203 34.205 ( 2.081 6.358 1.596) 6.878 36.434 ( 19.650 11.790 -0.703) 22.927 58.582 (-111.501 -88.435 77.664) 162.126======================= Grid point 2154 (653/781) =======================q-point: ( 0.60 0.30 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.011 ( 12.634 17.665 3.382) 21.979 5.107 ( 0.287 2.978 0.777) 3.092 5.678 ( 7.045 7.288 15.654) 18.649 6.437 ( 12.491 6.066 -5.464) 14.922 7.500 ( 10.937 6.136 7.161) 14.441 9.658 ( 0.906 2.381 0.426) 2.583 9.926 ( -18.389 -11.316 7.250) 22.776 12.231 ( 14.023 2.476 -48.724) 50.762 19.657 ( 1.208 -0.191 -0.568) 1.349 34.303 ( 1.244 6.720 1.417) 6.979 36.831 ( 16.111 7.666 0.327) 17.845 56.309 ( -96.537 -73.047 62.552) 136.264======================= Grid point 2155 (654/781) =======================q-point: ( 0.65 0.30 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.369 ( 9.386 15.102 3.199) 18.066 5.129 ( -1.306 2.816 0.452) 3.137 5.795 ( -3.550 1.231 8.725) 9.500 6.640 ( 9.271 3.208 -5.034) 11.027 7.787 ( 12.375 6.078 3.548) 14.236 9.465 ( -14.654 -12.746 2.270) 19.554 9.761 ( -2.057 6.054 0.841) 6.449 12.369 ( 17.936 5.239 -46.215) 49.849 19.677 ( 1.525 0.050 -1.073) 1.865 34.385 ( -0.004 6.768 1.181) 6.870 37.124 ( 11.849 3.578 1.001) 12.418 54.397 ( -79.595 -58.666 50.264) 110.921======================= Grid point 2156 (655/781) =======================q-point: ( 0.70 0.30 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.636 ( 5.200 11.168 3.468) 12.798 5.125 ( -2.540 3.352 0.026) 4.206 5.666 ( -11.542 -3.184 -1.038) 12.018 6.792 ( 6.902 2.139 0.931) 7.285 8.022 ( 8.202 2.897 1.795) 8.882 9.161 ( -9.258 -7.534 -0.079) 11.937 9.791 ( -1.993 5.909 -0.228) 6.240 12.555 ( 17.926 5.539 -44.748) 48.522 19.697 ( 1.371 -0.056 -1.915) 2.356 34.442 ( -1.472 6.494 0.969) 6.729 37.305 ( 7.228 -0.212 1.401) 7.366 52.881 ( -61.135 -45.044 42.562) 87.052======================= Grid point 2157 (656/781) =======================q-point: (-0.25 0.30 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.762 ( -1.673 4.292 4.068) 6.145 5.126 ( -1.943 5.294 -0.329) 5.649 5.373 ( -15.917 -4.202 -5.781) 17.448 6.921 ( 4.305 1.434 7.084) 8.413 8.118 ( 1.686 -1.152 1.078) 2.309 9.006 ( -2.957 -3.024 -2.668) 5.001 9.803 ( -3.002 5.500 -0.629) 6.298 12.730 ( 16.501 5.402 -44.544) 47.808 19.707 ( 1.138 -0.190 -3.070) 3.280 34.468 ( -2.958 5.925 0.854) 6.677 37.376 ( 2.610 -3.451 1.657) 4.633 51.798 ( -41.340 -31.976 40.404) 66.061======================= Grid point 2169 (657/781) =======================q-point: ( 0.35 0.35 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.685 ( -0.000 25.750 6.296) 26.508 2.386 ( -0.000 48.053 6.749) 48.525 4.889 ( 0.000 2.637 -0.470) 2.678 5.000 ( -0.000 8.377 6.454) 10.574 6.544 ( -0.000 4.043 59.730) 59.866 9.396 ( 0.000 3.422 -0.293) 3.435 9.531 ( 0.000 12.525 -1.786) 12.652 14.554 ( 0.000 -31.512 -28.983) 42.814 20.203 ( -0.000 -18.224 6.244) 19.264 33.926 ( -0.000 3.327 0.832) 3.430 34.445 ( 0.000 27.091 -2.080) 27.171 69.402 ( -0.000 -172.933 69.873) 186.516======================= Grid point 2170 (658/781) =======================q-point: ( 0.40 0.35 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.053 ( 9.990 26.536 5.385) 28.861 3.008 ( 15.151 44.143 6.900) 47.178 4.926 ( 1.207 3.598 -0.691) 3.858 5.148 ( 3.662 10.276 7.193) 13.066 6.799 ( 0.790 3.015 51.133) 51.228 9.411 ( -1.388 4.602 0.066) 4.807 9.728 ( 7.931 12.687 -2.612) 15.189 14.026 ( -10.404 -35.751 -26.917) 45.945 20.012 ( -4.498 -15.452 4.921) 16.829 33.967 ( 0.420 4.325 0.891) 4.435 34.804 ( 10.650 27.425 -2.438) 29.521 67.466 ( -59.487 -169.252 82.393) 197.417======================= Grid point 2171 (659/781) =======================q-point: ( 0.45 0.35 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.544 ( 14.529 26.495 4.752) 30.589 3.750 ( 22.114 35.980 7.885) 42.962 4.992 ( 1.748 5.304 -0.907) 5.658 5.375 ( 7.622 10.984 7.160) 15.166 7.011 ( 0.663 1.995 40.237) 40.292 9.451 ( 0.234 5.386 0.673) 5.433 9.993 ( 10.161 11.190 -2.499) 15.320 13.337 ( -16.521 -36.228 -27.048) 48.135 19.821 ( -4.493 -10.281 3.084) 11.636 34.036 ( 1.590 5.661 1.141) 5.990 35.278 ( 15.908 24.496 -2.339) 29.302 64.933 ( -89.630 -152.138 87.225) 196.946======================= Grid point 2172 (660/781) =======================q-point: ( 0.50 0.35 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.071 ( 15.021 26.113 4.264) 30.426 4.475 ( 23.116 25.439 10.098) 35.825 5.082 ( 1.957 8.102 -1.046) 8.400 5.666 ( 11.121 10.985 5.080) 16.437 7.167 ( 0.588 1.439 28.413) 28.456 9.525 ( 1.356 5.977 1.077) 6.222 10.240 ( 7.963 6.708 0.852) 10.447 12.608 ( -15.933 -31.483 -31.737) 47.459 19.694 ( -2.420 -5.584 1.538) 6.277 34.136 ( 2.200 7.146 1.355) 7.599 35.775 ( 17.803 19.915 -1.653) 26.763 62.258 (-100.141 -131.408 81.430) 184.193======================= Grid point 2173 (661/781) =======================q-point: ( 0.55 0.35 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.578 ( 13.406 25.277 3.832) 28.867 5.000 ( 10.623 7.722 8.646) 15.724 5.278 ( 10.390 17.343 3.629) 20.540 5.985 ( 12.824 9.923 0.482) 16.222 7.288 ( 2.039 2.033 17.159) 17.399 9.614 ( 1.502 6.134 1.117) 6.414 10.338 ( -2.515 -3.323 8.232) 9.227 12.028 ( -4.584 -18.763 -41.005) 45.327 19.638 ( -0.311 -2.464 0.589) 2.552 34.255 ( 1.968 8.656 1.439) 8.993 36.238 ( 17.586 14.546 -0.762) 22.835 59.679 ( -99.073 -110.939 69.240) 164.064======================= Grid point 2174 (662/781) =======================q-point: ( 0.60 0.35 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.035 ( 10.725 23.793 3.473) 26.329 5.140 ( 1.244 4.013 3.358) 5.378 5.677 ( 10.586 13.213 10.627) 19.989 6.269 ( 11.824 6.323 -4.786) 14.237 7.433 ( 6.487 4.197 8.574) 11.542 9.686 ( -0.162 3.428 0.668) 3.497 10.132 ( -14.979 -11.003 10.261) 21.230 11.828 ( 11.789 -3.628 -44.520) 46.197 19.631 ( 1.006 -0.886 -0.014) 1.340 34.377 ( 0.934 10.002 1.379) 10.139 36.635 ( 15.949 8.915 0.012) 18.271 57.323 ( -91.063 -91.840 55.541) 140.754======================= Grid point 2175 (663/781) =======================q-point: ( 0.65 0.35 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.422 ( 7.431 21.320 3.294) 22.817 5.191 ( -0.912 4.121 2.541) 4.927 5.894 ( -0.727 6.678 4.381) 8.020 6.480 ( 10.974 2.411 -2.968) 11.621 7.656 ( 10.959 5.519 3.788) 12.841 9.562 ( -11.184 -12.818 1.368) 17.066 9.916 ( -7.118 6.186 4.867) 10.613 11.928 ( 18.318 1.804 -41.553) 45.447 19.646 ( 1.484 -0.395 -0.644) 1.666 34.487 ( -0.721 10.997 1.218) 11.087 36.944 ( 13.314 3.437 0.555) 13.762 55.270 ( -78.613 -74.328 43.822) 116.726======================= Grid point 2176 (664/781) =======================q-point: ( 0.70 0.35 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.716 ( 3.464 16.818 3.538) 17.532 5.216 ( -2.258 5.132 2.008) 5.955 5.826 ( -10.256 1.774 -6.703) 12.380 6.680 ( 9.892 1.627 4.703) 11.073 7.899 ( 10.313 3.318 1.532) 10.942 9.240 ( -10.624 -10.958 -0.002) 15.262 9.932 ( -4.581 10.469 2.442) 11.685 12.118 ( 19.307 2.654 -39.712) 44.236 19.663 ( 1.420 -0.466 -1.521) 2.133 34.572 ( -2.731 11.489 1.034) 11.855 37.153 ( 10.013 -1.490 0.916) 10.165 53.580 ( -63.050 -58.329 36.159) 93.194======================= Grid point 2177 (665/781) =======================q-point: ( 0.75 0.35 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.873 ( -1.891 8.713 4.440) 9.960 5.238 ( -3.115 6.956 0.727) 7.656 5.587 ( -14.587 2.278 -10.603) 18.177 6.870 ( 7.298 1.559 9.672) 12.216 8.051 ( 5.401 -0.821 0.623) 5.498 9.023 ( -5.106 -5.640 -2.292) 7.946 9.958 ( -5.718 10.739 1.718) 12.287 12.314 ( 18.478 3.028 -39.516) 43.728 19.672 ( 1.180 -0.658 -2.637) 2.963 34.624 ( -4.801 11.383 0.908) 12.387 37.260 ( 6.348 -5.503 1.211) 8.488 52.303 ( -45.052 -43.658 33.668) 71.199======================= Grid point 2190 (666/781) =======================q-point: ( 0.40 0.40 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.245 ( -0.000 27.107 4.553) 27.486 3.362 ( -0.000 46.064 7.325) 46.642 4.942 ( 0.000 3.279 -0.893) 3.399 5.262 ( -0.000 13.209 6.535) 14.737 7.002 ( -0.000 1.811 45.161) 45.198 9.461 ( 0.000 3.620 -0.691) 3.686 9.791 ( 0.000 15.278 -1.832) 15.387 13.638 ( 0.000 -41.026 -24.808) 47.944 19.915 ( -0.000 -14.809 4.381) 15.443 34.004 ( -0.000 4.119 0.461) 4.145 34.994 ( 0.000 30.250 -1.682) 30.297 66.558 ( -0.000 -176.322 79.393) 193.371======================= Grid point 2191 (667/781) =======================q-point: ( 0.45 0.40 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.610 ( 9.706 26.786 3.956) 28.764 3.901 ( 8.879 40.809 8.259) 42.572 4.994 ( 2.485 3.992 -1.179) 4.848 5.444 ( 2.440 14.801 5.911) 16.123 7.169 ( -0.238 0.718 36.362) 36.370 9.496 ( 0.363 4.247 -0.387) 4.280 9.980 ( 5.000 14.555 -1.350) 15.449 13.063 ( -8.121 -42.868 -23.614) 49.611 19.782 ( -1.941 -11.002 3.358) 11.665 34.062 ( 1.680 4.872 0.464) 5.174 35.342 ( 6.811 28.853 -1.225) 29.672 64.793 ( -42.437 -166.949 76.885) 188.638======================= Grid point 2192 (668/781) =======================q-point: ( 0.50 0.40 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.094 ( 14.445 26.365 3.583) 30.275 4.479 ( 13.185 30.801 10.063) 34.983 5.095 ( 4.376 6.107 -1.440) 7.650 5.673 ( 4.988 15.443 3.894) 16.689 7.283 ( -0.760 0.106 26.279) 26.290 9.559 ( 1.664 5.146 0.244) 5.414 10.205 ( 6.116 11.271 0.938) 12.858 12.387 ( -11.812 -40.083 -25.354) 48.877 19.676 ( -1.587 -6.552 2.298) 7.123 34.161 ( 3.287 6.318 0.684) 7.155 35.748 ( 10.328 24.635 -0.758) 26.724 62.588 ( -66.912 -149.258 69.720) 177.809======================= Grid point 2193 (669/781) =======================q-point: ( 0.55 0.40 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.612 ( 14.646 26.134 3.330) 30.143 4.957 ( 9.938 14.104 10.308) 20.098 5.283 ( 9.167 13.369 1.031) 16.243 5.931 ( 6.894 14.725 -0.467) 16.266 7.354 ( -0.443 0.548 16.440) 16.455 9.648 ( 2.131 5.578 0.711) 6.013 10.371 ( 1.200 3.242 7.805) 8.536 11.756 ( -7.123 -29.510 -32.297) 44.325 19.620 ( -0.364 -3.138 1.470) 3.485 34.297 ( 3.871 8.269 0.904) 9.175 36.146 ( 11.747 18.734 -0.274) 22.114 60.249 ( -77.430 -128.668 58.316) 161.095======================= Grid point 2194 (670/781) =======================q-point: ( 0.60 0.40 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.105 ( 12.121 25.636 3.155) 28.533 5.159 ( 3.007 4.313 5.460) 7.580 5.657 ( 13.115 14.870 8.390) 21.529 6.162 ( 6.549 10.641 -6.386) 14.032 7.426 ( 2.326 2.631 8.692) 9.374 9.721 ( 0.116 2.431 0.743) 2.544 10.300 ( -10.944 -8.145 13.660) 19.306 11.433 ( 8.523 -9.522 -38.319) 40.394 19.608 ( 0.671 -1.218 0.800) 1.604 34.453 ( 3.171 10.497 1.019) 11.012 36.496 ( 11.850 11.952 0.108) 16.831 57.975 ( -78.097 -107.940 45.574) 140.809======================= Grid point 2195 (671/781) =======================q-point: ( 0.65 0.40 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.532 ( 8.146 24.062 3.157) 25.599 5.240 ( 0.900 2.836 4.070) 5.042 5.983 ( 4.007 12.452 4.436) 13.812 6.312 ( 8.393 2.682 -5.670) 10.478 7.567 ( 7.131 4.901 3.995) 9.530 9.613 ( -8.870 -12.292 1.069) 15.196 10.129 ( -7.983 5.081 8.975) 13.042 11.487 ( 16.944 -0.567 -34.616) 38.545 19.618 ( 1.148 -0.531 0.071) 1.267 34.608 ( 1.287 12.679 1.014) 12.785 36.773 ( 11.100 4.974 0.343) 12.169 55.902 ( -71.920 -88.366 34.401) 119.015======================= Grid point 2196 (672/781) =======================q-point: ( 0.70 0.40 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.857 ( 3.050 19.529 3.775) 20.123 5.289 ( 0.221 3.475 2.537) 4.308 6.006 ( -9.583 8.520 -11.277) 17.076 6.524 ( 12.975 0.866 7.896) 15.213 7.768 ( 9.388 3.818 1.416) 10.233 9.301 ( -10.498 -13.264 0.102) 16.916 10.155 ( -5.604 13.465 6.303) 15.889 11.668 ( 19.012 0.325 -32.521) 37.672 19.631 ( 1.153 -0.561 -0.849) 1.538 34.744 ( -1.461 14.433 0.939) 14.537 36.967 ( 9.766 -1.514 0.491) 9.894 54.123 ( -60.851 -70.469 26.842) 96.898======================= Grid point 2197 (673/781) =======================q-point: ( 0.75 0.40 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.020 ( -2.595 9.326 5.267) 11.020 5.342 ( -0.873 6.649 -1.345) 6.840 5.837 ( -13.325 9.697 -12.465) 20.663 6.776 ( 10.530 1.435 11.887) 15.945 7.936 ( 7.347 -0.231 0.147) 7.353 9.049 ( -6.575 -7.865 -1.752) 10.399 10.211 ( -7.458 15.081 5.594) 17.730 11.874 ( 19.432 0.853 -32.724) 38.068 19.637 ( 0.958 -0.801 -1.931) 2.300 34.842 ( -4.614 15.361 0.869) 16.063 37.078 ( 7.990 -6.833 0.670) 10.534 52.707 ( -46.063 -54.349 24.085) 75.204======================= Grid point 2211 (674/781) =======================q-point: ( 0.45 0.45 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.797 ( -0.000 26.360 3.236) 26.557 4.259 ( -0.000 38.681 9.376) 39.801 5.000 ( 0.000 3.463 -1.278) 3.691 5.605 ( -0.000 17.696 4.602) 18.285 7.300 ( -0.000 -0.296 29.462) 29.463 9.524 ( 0.000 3.475 -0.938) 3.599 10.090 ( -0.000 15.937 0.407) 15.943 12.609 ( 0.000 -46.034 -21.034) 50.612 19.710 ( -0.000 -9.053 3.201) 9.602 34.091 ( -0.000 4.523 0.061) 4.523 35.575 ( -0.000 29.791 -0.353) 29.793 63.780 ( -0.000 -166.779 68.070) 180.135======================= Grid point 2212 (675/781) =======================q-point: ( 0.50 0.45 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.146 ( 9.676 25.435 2.744) 27.351 4.682 ( 4.377 30.685 11.275) 32.983 5.062 ( 3.871 4.051 -1.428) 5.783 5.813 ( 1.081 20.007 2.255) 20.163 7.385 ( -0.741 -0.728 21.138) 21.163 9.569 ( 1.772 3.691 -0.673) 4.149 10.270 ( 2.291 14.529 3.145) 15.041 12.032 ( -5.675 -44.884 -20.479) 49.661 19.642 ( -0.579 -5.840 2.805) 6.505 34.161 ( 2.930 5.043 0.027) 5.832 35.889 ( 3.587 27.390 0.187) 27.625 62.165 ( -31.323 -155.692 58.032) 169.082======================= Grid point 2213 (676/781) =======================q-point: ( 0.55 0.45 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.613 ( 15.070 24.511 2.414) 28.874 5.030 ( 3.482 14.678 9.661) 17.914 5.232 ( 9.954 9.907 2.709) 14.303 6.038 ( 1.392 21.176 -2.006) 21.316 7.427 ( -1.127 -0.063 13.027) 13.076 9.649 ( 3.185 3.859 -0.097) 5.005 10.445 ( 0.678 8.881 9.750) 13.206 11.436 ( -5.702 -36.515 -24.654) 44.426 19.602 ( -0.223 -2.918 2.310) 3.729 34.288 ( 5.482 6.349 0.177) 8.390 36.210 ( 5.009 22.555 0.477) 23.109 60.224 ( -50.607 -138.450 46.129) 154.458======================= Grid point 2214 (677/781) =======================q-point: ( 0.60 0.45 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.122 ( 15.715 23.856 2.184) 28.650 5.182 ( 2.003 5.084 4.894) 7.335 5.573 ( 14.112 9.614 9.904) 19.740 6.232 ( -0.215 18.935 -7.960) 20.541 7.462 ( 0.068 2.257 6.948) 7.305 9.725 ( 1.500 0.536 0.567) 1.691 10.451 ( -8.587 -7.617 17.581) 20.996 11.072 ( 6.252 -10.906 -30.959) 33.414 19.593 ( 0.329 -1.083 1.720) 2.059 34.465 ( 6.650 8.392 0.350) 10.713 36.488 ( 5.292 16.041 0.552) 16.901 58.184 ( -59.492 -118.683 33.752) 136.983======================= Grid point 2215 (678/781) =======================q-point: ( 0.65 0.45 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.603 ( 12.734 23.059 2.113) 26.426 5.257 ( 1.044 1.728 4.129) 4.596 5.942 ( 15.463 6.066 11.531) 20.221 6.313 ( -4.091 12.995 -13.425) 19.127 7.544 ( 3.207 5.135 3.554) 7.020 9.629 ( -7.035 -13.053 1.280) 14.883 10.321 ( -4.412 2.278 10.196) 11.341 11.116 ( 12.404 0.882 -23.318) 26.427 19.600 ( 0.633 -0.365 0.966) 1.211 34.670 ( 6.009 11.036 0.467) 12.575 36.698 ( 5.169 8.509 0.458) 9.967 56.217 ( -60.187 -98.732 22.962) 117.889======================= Grid point 2216 (679/781) =======================q-point: ( 0.70 0.45 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.994 ( 6.375 20.405 3.114) 21.603 5.292 ( 1.657 -0.192 1.690) 2.374 6.227 ( -7.350 14.338 -10.573) 19.271 6.321 ( 13.869 -0.668 7.293) 15.684 7.685 ( 5.832 4.921 1.438) 7.764 9.333 ( -9.396 -14.891 0.466) 17.614 10.403 ( -2.542 14.729 8.788) 17.338 11.264 ( 14.850 -0.616 -21.814) 26.396 19.610 ( 0.624 -0.383 0.025) 0.733 34.876 ( 3.507 13.969 0.531) 14.412 36.831 ( 5.153 0.677 0.300) 5.206 54.447 ( -54.601 -79.922 15.511) 98.027======================= Grid point 2217 (680/781) =======================q-point: ( 0.75 0.45 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.165 ( -3.280 5.084 5.661) 8.286 5.379 ( 4.094 9.065 -4.192) 10.794 6.117 ( -11.612 13.160 -12.039) 21.283 6.630 ( 14.035 1.646 12.528) 18.885 7.821 ( 5.994 0.976 -0.099) 6.073 9.073 ( -6.856 -9.541 -0.958) 11.788 10.532 ( -6.856 18.864 10.076) 22.458 11.441 ( 18.101 -1.544 -24.243) 30.295 19.612 ( 0.466 -0.654 -1.020) 1.299 35.054 ( -0.587 16.590 0.586) 16.610 36.891 ( 5.514 -6.519 0.225) 8.542 52.969 ( -44.114 -62.861 12.541) 77.813======================= Grid point 2233 (681/781) =======================q-point: ( 0.50 0.50 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.312 ( -0.000 24.439 2.101) 24.529 4.972 ( -0.000 24.842 13.442) 28.246 5.054 ( 0.000 3.100 -1.521) 3.453 6.022 ( -0.000 23.407 -0.416) 23.411 7.452 ( -0.000 -0.764 14.611) 14.631 9.581 ( 0.000 3.111 -0.898) 3.238 10.418 ( -0.000 15.036 6.919) 16.551 11.564 ( 0.000 -45.252 -17.758) 48.612 19.609 ( -0.000 -3.975 3.019) 4.992 34.179 ( 0.000 4.530 -0.295) 4.540 36.132 ( -0.000 26.982 0.783) 26.993 61.116 ( -0.000 -151.415 45.940) 158.231======================= Grid point 2234 (682/781) =======================q-point: ( 0.55 0.50 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.635 ( 9.655 23.087 1.620) 25.077 5.103 ( 2.698 3.839 -0.656) 4.737 5.256 ( 3.609 14.906 14.900) 21.383 6.248 ( -0.428 24.735 -4.531) 25.150 7.486 ( -0.717 0.522 8.473) 8.519 9.629 ( 2.423 2.864 -0.576) 3.796 10.588 ( -0.706 9.408 15.622) 18.250 11.054 ( -2.116 -36.766 -20.938) 42.363 19.591 ( -0.072 -1.963 2.934) 3.531 34.256 ( 4.086 4.813 -0.341) 6.323 36.395 ( 0.918 23.873 1.003) 23.911 59.639 ( -23.482 -139.262 33.317) 145.105======================= Grid point 2235 (683/781) =======================q-point: ( 0.60 0.50 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.077 ( 15.579 21.578 1.175) 26.640 5.196 ( 3.622 3.534 0.123) 5.062 5.506 ( 7.369 6.407 15.793) 18.568 6.431 ( -2.453 22.146 -9.822) 24.351 7.516 ( -0.538 3.604 4.470) 5.767 9.693 ( 2.166 -0.263 0.309) 2.204 10.480 ( -4.764 -28.448 8.107) 29.961 10.870 ( 2.991 9.918 -9.563) 14.098 19.589 ( 0.062 -0.564 2.547) 2.610 34.407 ( 7.740 5.829 -0.268) 9.693 36.620 ( 0.300 18.773 0.925) 18.798 57.935 ( -38.270 -122.503 21.015) 130.051======================= Grid point 2236 (684/781) =======================q-point: ( 0.65 0.50 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.562 ( 16.871 19.921 0.634) 26.113 5.273 ( 1.313 1.931 1.950) 3.043 5.768 ( 12.983 1.107 14.275) 19.328 6.505 ( -5.867 16.926 -14.380) 22.971 7.583 ( 0.701 7.016 2.713) 7.555 9.608 ( -5.611 -14.083 1.537) 15.237 10.305 ( 6.376 -7.442 -1.097) 9.861 11.007 ( 1.157 10.891 1.291) 11.029 19.598 ( 0.112 0.005 1.873) 1.877 34.623 ( 9.946 7.598 -0.182) 12.518 36.770 ( -0.902 12.263 0.646) 12.313 56.180 ( -45.047 -103.904 10.480) 113.733======================= Grid point 2237 (685/781) =======================q-point: ( 0.70 0.50 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.014 ( 14.419 17.545 -0.226) 22.711 5.287 ( -1.251 -0.690 2.596) 2.964 6.074 ( 16.835 -1.148 12.498) 20.998 6.470 ( -8.593 14.246 -15.128) 22.487 7.685 ( 1.750 7.110 1.424) 7.460 9.330 ( -7.780 -15.999 0.980) 17.817 10.475 ( 11.774 7.640 -2.206) 14.208 11.110 ( -0.536 7.003 3.371) 7.791 19.604 ( -0.003 -0.043 0.980) 0.981 34.880 ( 10.105 10.151 -0.107) 14.324 36.831 ( -1.882 4.814 0.289) 5.177 54.518 ( -45.023 -85.412 3.132) 96.602======================= Grid point 2238 (686/781) =======================q-point: ( 0.75 0.50 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2010Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.240 ( -2.032 -3.520 -0.000) 4.065 5.370 ( 8.559 14.824 0.000) 17.118 6.325 ( 1.750 3.030 -0.000) 3.499 6.477 ( 6.240 10.808 0.000) 12.480 7.772 ( 1.867 3.233 -0.000) 3.733 9.083 ( -6.105 -10.575 -0.000) 12.211 10.785 ( 9.988 17.300 -0.000) 19.976 11.150 ( 0.458 0.793 -0.000) 0.915 19.603 ( -0.184 -0.319 -0.000) 0.368 35.148 ( 7.769 13.457 -0.000) 15.538 36.806 ( -1.809 -3.133 -0.000) 3.618 53.060 ( -39.362 -68.178 -0.000) 78.725======================= Grid point 2255 (687/781) =======================q-point: ( 0.55 0.55 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.774 ( -0.000 21.741 1.044) 21.766 5.094 ( 0.000 2.127 -1.542) 2.627 5.418 ( -0.000 9.303 17.600) 19.908 6.473 ( 0.000 24.458 -8.397) 25.859 7.531 ( -0.000 2.845 4.646) 5.448 9.632 ( 0.000 2.626 -0.546) 2.682 10.573 ( -0.000 -40.045 5.701) 40.449 10.832 ( 0.000 15.110 -2.379) 15.296 19.590 ( -0.000 -0.794 3.217) 3.313 34.260 ( 0.000 4.153 -0.558) 4.190 36.623 ( -0.000 22.410 1.135) 22.438 58.606 ( -0.000 -132.140 20.396) 133.705======================= Grid point 2256 (688/781) =======================q-point: ( 0.60 0.55 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.064 ( 9.477 20.011 0.499) 22.147 5.142 ( 4.079 1.671 -1.570) 4.680 5.556 ( 1.306 2.726 18.593) 18.837 6.637 ( -1.958 20.170 -13.113) 24.138 7.588 ( -0.374 6.930 2.859) 7.506 9.665 ( 0.916 0.304 0.121) 0.972 10.186 ( 0.555 -34.297 -2.811) 34.417 11.023 ( -0.703 16.877 12.718) 21.144 19.598 ( -0.067 0.074 3.102) 3.104 34.341 ( 5.085 4.189 -0.602) 6.615 36.821 ( -1.220 18.824 0.945) 18.887 57.277 ( -17.609 -119.316 8.210) 120.888======================= Grid point 2257 (689/781) =======================q-point: ( 0.65 0.55 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.464 ( 15.401 17.688 -0.268) 23.455 5.235 ( 5.097 1.248 -1.330) 5.413 5.672 ( 4.969 -2.447 18.008) 18.840 6.694 ( -4.546 14.878 -16.248) 22.495 7.675 ( -0.528 10.165 2.245) 10.423 9.561 ( -5.529 -15.853 1.524) 16.858 10.044 ( 10.832 -9.241 -4.705) 14.995 11.211 ( -3.006 15.589 18.036) 24.028 19.610 ( -0.236 0.413 2.620) 2.663 34.508 ( 9.759 4.804 -0.597) 10.894 36.944 ( -3.544 13.800 0.559) 14.258 55.805 ( -28.650 -103.295 -2.083) 107.215======================= Grid point 2258 (690/781) =======================q-point: ( 0.70 0.55 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.889 ( 16.268 13.520 -1.896) 21.238 5.301 ( 1.642 0.657 0.715) 1.908 5.845 ( 12.575 -4.398 14.974) 20.042 6.669 ( -6.283 12.410 -15.775) 21.032 7.769 ( -1.094 9.604 1.328) 9.757 9.293 ( -6.099 -16.388 1.417) 17.543 10.231 ( 16.317 1.163 -6.521) 17.611 11.354 ( -6.420 14.464 21.689) 26.848 19.616 ( -0.515 0.320 1.874) 1.969 34.753 ( 13.128 5.984 -0.601) 14.440 36.969 ( -6.164 7.895 0.120) 10.017 54.330 ( -33.367 -86.225 -9.307) 92.923======================= Grid point 2277 (691/781) =======================q-point: ( 0.60 0.60 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.170 ( -0.000 18.436 -0.032) 18.436 5.110 ( 0.000 0.572 -1.258) 1.382 5.623 ( -0.000 -1.951 18.507) 18.610 6.771 ( 0.000 15.334 -16.438) 22.480 7.688 ( -0.000 10.889 2.419) 11.154 9.675 ( -0.000 2.066 0.032) 2.066 9.836 ( 0.000 -31.987 -1.697) 32.032 11.264 ( -0.000 17.134 21.178) 27.241 19.615 ( -0.000 0.543 3.281) 3.326 34.330 ( 0.000 3.417 -0.719) 3.491 37.011 ( -0.000 16.570 0.646) 16.583 56.307 ( 0.000 -110.304 -3.728) 110.367======================= Grid point 2278 (692/781) =======================q-point: ( 0.65 0.60 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.416 ( 8.921 16.202 -0.766) 18.511 5.147 ( 4.441 -0.092 -1.267) 4.619 5.657 ( 0.930 -6.184 17.397) 18.486 6.815 ( -2.235 11.345 -17.295) 20.804 7.807 ( -0.763 12.341 1.933) 12.515 9.487 ( -5.358 -20.677 0.795) 21.374 9.791 ( 9.265 -2.432 -1.469) 9.690 11.504 ( -2.276 16.843 26.858) 31.784 19.631 ( -0.285 0.699 3.080) 3.171 34.408 ( 5.869 3.200 -0.756) 6.728 37.134 ( -2.813 12.802 0.173) 13.108 55.144 ( -13.095 -97.336 -13.749) 99.171======================= Grid point 2280 (693/781) =======================q-point: (-0.30 -0.40 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.749 ( 13.539 12.081 -2.223) 18.281 5.235 ( 6.036 0.150 -1.305) 6.177 5.691 ( 5.435 -8.657 15.623) 18.670 6.801 ( -3.759 9.764 -15.251) 18.495 7.902 ( -2.098 10.365 0.973) 10.620 9.231 ( -4.368 -15.672 1.611) 16.349 9.964 ( 13.207 0.410 -3.073) 13.566 11.712 ( -5.501 16.594 30.820) 35.433 19.640 ( -0.724 0.596 2.583) 2.748 34.583 ( 11.319 3.338 -0.804) 11.828 37.160 ( -6.329 8.237 -0.315) 10.392 53.908 ( -21.108 -82.375 -20.817) 87.547======================= Grid point 2300 (694/781) =======================q-point: (-0.35 -0.35 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.485 ( 0.000 14.326 -1.334) 14.388 5.097 ( 0.000 -1.185 -0.498) 1.285 5.634 ( -0.000 -9.705 14.728) 17.638 6.866 ( 0.000 8.863 -16.036) 18.322 7.940 ( -0.000 11.625 1.266) 11.694 9.329 ( 0.000 -19.741 0.698) 19.754 9.712 ( -0.000 1.428 0.666) 1.576 11.805 ( -0.000 17.137 33.206) 37.368 19.653 ( -0.000 0.792 3.205) 3.301 34.381 ( 0.000 2.367 -0.794) 2.496 37.272 ( -0.000 10.074 -0.361) 10.081 54.278 ( 0.000 -87.234 -23.514) 90.347======================= Grid point 2301 (695/781) =======================q-point: (-0.30 -0.35 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.671 ( 7.457 10.696 -2.486) 13.273 5.126 ( 5.027 -1.000 -0.301) 5.134 5.587 ( 1.672 -12.315 12.042) 17.306 6.875 ( -1.585 7.664 -13.013) 15.185 8.030 ( -1.501 8.462 0.337) 8.601 9.151 ( -2.132 -13.079 1.715) 13.362 9.790 ( 7.191 0.809 0.005) 7.237 12.081 ( -3.145 17.145 37.586) 41.432 19.669 ( -0.539 0.744 3.028) 3.164 34.452 ( 6.389 1.907 -0.829) 6.719 37.319 ( -3.836 6.474 -0.873) 7.575 53.300 ( -9.625 -74.555 -30.419) 81.095======================= Grid point 2322 (696/781) =======================q-point: (-0.30 -0.30 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.689 ( 0.000 7.491 -3.180) 8.137 5.070 ( -0.000 -0.995 1.014) 1.421 5.477 ( -0.000 -15.100 7.822) 17.005 6.910 ( 0.000 6.027 -9.932) 11.618 8.109 ( 0.000 4.807 -0.390) 4.823 9.069 ( -0.000 -8.599 2.131) 8.860 9.740 ( -0.000 0.677 1.159) 1.342 12.428 ( -0.000 17.081 42.352) 45.667 19.693 ( -0.000 0.809 3.183) 3.285 34.408 ( 0.000 1.071 -0.818) 1.348 37.397 ( 0.000 3.624 -1.370) 3.874 52.574 ( 0.000 -63.919 -37.203) 73.957======================= Grid point 2556 (697/781) =======================q-point: ( 0.30 0.30 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 781Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.996 ( -0.000 0.000 9.882) 9.882 0.996 ( -0.000 0.000 9.882) 9.882 4.830 ( 0.000 0.000 0.023) 0.023 4.830 ( -0.000 -0.000 0.023) 0.023 6.194 ( -0.000 0.000 75.252) 75.252 9.293 ( -0.000 0.000 0.197) 0.197 9.293 ( -0.000 0.000 0.197) 0.197 15.318 ( 0.000 -0.000 -36.170) 36.170 20.660 ( -0.000 0.000 6.554) 6.554 33.840 ( -0.000 0.000 1.132) 1.132 33.840 ( -0.000 0.000 1.132) 1.132 73.400 ( 0.000 -0.000 -1.287) 1.287======================= Grid point 2557 (698/781) =======================q-point: ( 0.35 0.30 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.211 ( 15.374 8.876 8.218) 19.562 1.521 ( 35.679 20.599 7.042) 41.796 4.835 ( 0.744 0.429 0.047) 0.860 4.884 ( 4.417 2.550 1.563) 5.334 6.490 ( 1.441 0.832 68.939) 68.959 9.280 ( 0.058 0.033 0.563) 0.567 9.400 ( 7.994 4.616 -0.934) 9.278 15.027 ( -13.549 -7.822 -34.200) 37.608 20.539 ( -11.902 -6.872 6.556) 15.227 33.845 ( 0.709 0.410 1.271) 1.512 34.034 ( 15.572 8.991 -0.343) 17.985 72.259 ( -96.578 -55.759 22.948) 113.855======================= Grid point 2558 (699/781) =======================q-point: ( 0.40 0.30 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.673 ( 22.117 12.769 6.332) 26.312 2.441 ( 41.910 24.197 5.893) 48.751 4.862 ( 1.602 0.925 -0.023) 1.850 5.042 ( 8.679 5.011 3.978) 10.782 6.768 ( 1.431 0.826 58.607) 58.630 9.301 ( 1.541 0.890 1.041) 2.061 9.629 ( 12.590 7.269 -2.740) 14.794 14.473 ( -24.202 -13.973 -30.631) 41.463 20.243 ( -15.028 -8.676 5.813) 18.300 33.881 ( 2.026 1.169 1.464) 2.760 34.487 ( 24.092 13.910 -2.310) 27.915 69.636 (-143.616 -82.917 60.496) 176.523======================= Grid point 2559 (700/781) =======================q-point: ( 0.45 0.30 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.216 ( 23.739 13.706 5.093) 27.881 3.399 ( 40.691 23.493 6.379) 47.417 4.905 ( 2.226 1.285 -0.107) 2.573 5.297 ( 12.202 7.045 5.457) 15.110 6.993 ( 0.811 0.468 46.154) 46.163 9.355 ( 2.800 1.617 1.436) 3.538 9.924 ( 14.279 8.244 -3.441) 16.843 13.739 ( -30.120 -17.390 -29.198) 45.410 19.957 ( -11.499 -6.639 3.725) 13.790 33.946 ( 3.118 1.800 1.637) 3.955 35.056 ( 26.746 15.442 -2.947) 31.023 66.514 (-154.797 -89.372 80.618) 196.084======================= Grid point 2560 (701/781) =======================q-point: ( 0.50 0.30 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.762 ( 23.126 13.352 4.191) 27.030 4.292 ( 35.933 20.746 8.026) 42.261 4.959 ( 2.547 1.470 -0.134) 2.944 5.620 ( 14.447 8.341 5.117) 17.449 7.157 ( 0.522 0.301 32.725) 32.731 9.434 ( 3.578 2.066 1.564) 4.418 10.215 ( 11.422 6.595 -0.913) 13.221 12.945 ( -28.778 -16.615 -32.824) 46.708 19.767 ( -6.319 -3.648 1.601) 7.470 34.031 ( 3.833 2.213 1.718) 4.747 35.640 ( 25.823 14.909 -2.377) 29.912 63.400 (-148.576 -85.780 81.744) 190.040======================= Grid point 2561 (702/781) =======================q-point: ( 0.55 0.30 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.278 ( 21.326 12.313 3.456) 24.866 5.016 ( 2.460 1.420 -0.083) 2.841 5.048 ( 27.549 15.905 10.797) 33.593 5.969 ( 15.000 8.660 2.345) 17.478 7.280 ( 2.081 1.201 19.710) 19.856 9.523 ( 3.750 2.165 1.331) 4.530 10.370 ( -0.362 -0.209 6.351) 6.365 12.276 ( -15.859 -9.156 -42.342) 46.132 19.677 ( -2.237 -1.291 0.220) 2.592 34.127 ( 4.075 2.353 1.665) 4.991 36.183 ( 22.867 13.202 -1.324) 26.438 60.506 (-134.653 -77.742 72.058) 171.370======================= Grid point 2562 (703/781) =======================q-point: ( 0.60 0.30 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.741 ( 18.794 10.851 2.877) 21.891 5.065 ( 1.860 1.074 -0.001) 2.148 5.581 ( 15.277 8.820 12.619) 21.689 6.290 ( 13.101 7.564 -1.790) 15.233 7.430 ( 6.995 4.039 9.415) 12.405 9.607 ( 3.347 1.932 0.766) 3.940 10.187 ( -18.002 -10.394 9.825) 22.992 11.988 ( 5.287 3.053 -48.138) 48.523 19.656 ( 0.102 0.059 -0.579) 0.591 34.223 ( 3.824 2.208 1.486) 4.659 36.648 ( 18.666 10.777 -0.315) 21.556 57.924 (-117.074 -67.593 59.021) 147.508======================= Grid point 2563 (704/781) =======================q-point: ( 0.65 0.30 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.140 ( 15.738 9.086 2.519) 18.347 5.095 ( 0.723 0.418 0.011) 0.835 5.811 ( 1.819 1.050 7.143) 7.445 6.540 ( 9.962 5.752 -1.155) 11.561 7.672 ( 11.717 6.765 3.714) 14.031 9.675 ( 2.532 1.462 0.021) 2.924 9.742 ( -21.683 -12.519 5.131) 25.558 12.059 ( 14.724 8.501 -45.294) 48.380 19.667 ( 0.990 0.572 -1.251) 1.694 34.307 ( 3.135 1.810 1.233) 3.824 37.013 ( 13.701 7.910 0.445) 15.827 55.713 ( -97.572 -56.333 47.361) 122.217======================= Grid point 2564 (705/781) =======================q-point: ( 0.70 0.30 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.463 ( 12.067 6.967 2.522) 14.161 5.095 ( -0.687 -0.397 -0.221) 0.824 5.741 ( -7.869 -4.543 -2.723) 9.486 6.741 ( 7.412 4.279 4.631) 9.731 7.940 ( 10.263 5.925 1.273) 11.919 9.327 ( -15.487 -8.941 1.004) 17.910 9.720 ( 1.538 0.888 -0.690) 1.905 12.243 ( 15.910 9.186 -42.915) 46.682 19.684 ( 1.002 0.578 -2.102) 2.399 34.370 ( 2.122 1.225 0.985) 2.640 37.264 ( 8.390 4.844 0.971) 9.737 53.916 ( -76.908 -44.403 39.659) 97.259======================= Grid point 2577 (706/781) =======================q-point: ( 0.35 0.35 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2110Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.268 ( -0.000 18.332 7.179) 19.688 1.524 ( -0.000 40.290 6.898) 40.876 4.848 ( 0.000 1.485 -0.166) 1.494 4.878 ( -0.000 5.081 1.224) 5.227 6.747 ( -0.000 0.590 65.778) 65.780 9.335 ( 0.000 2.646 -0.207) 2.655 9.342 ( -0.000 6.195 -0.119) 6.196 14.894 ( 0.000 -15.534 -33.784) 37.184 20.560 ( -0.000 -14.030 6.139) 15.315 33.876 ( -0.000 2.126 0.839) 2.285 34.006 ( -0.000 16.275 0.186) 16.276 72.341 ( -0.000 -103.476 19.198) 105.242======================= Grid point 2578 (707/781) =======================q-point: ( 0.40 0.35 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.591 ( 11.133 22.220 5.886) 25.540 2.193 ( 24.604 40.201 5.623) 47.467 4.866 ( 0.343 2.405 -0.169) 2.435 4.991 ( 5.134 7.324 2.224) 9.217 6.986 ( -0.064 -0.150 57.850) 57.850 9.328 ( -1.511 3.745 0.519) 4.072 9.513 ( 8.826 8.323 -1.757) 12.258 14.484 ( -11.922 -21.998 -30.657) 39.572 20.351 ( -8.566 -15.815 5.770) 18.889 33.896 ( -0.193 3.231 1.038) 3.399 34.319 ( 13.938 20.542 -1.154) 24.851 70.649 ( -73.305 -126.286 41.989) 151.937======================= Grid point 2579 (708/781) =======================q-point: ( 0.45 0.35 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.075 ( 16.713 22.821 4.827) 28.695 3.073 ( 32.385 34.778 5.418) 47.829 4.905 ( 0.964 3.381 -0.206) 3.522 5.203 ( 9.310 8.726 3.246) 13.167 7.174 ( -0.894 -1.005 47.090) 47.110 9.361 ( 0.497 4.006 1.131) 4.192 9.773 ( 12.165 9.862 -3.179) 15.979 13.852 ( -21.159 -26.449 -27.572) 43.675 20.065 ( -9.934 -12.594 4.381) 16.628 33.945 ( 1.257 4.019 1.329) 4.416 34.817 ( 20.647 21.257 -2.141) 29.711 67.998 (-111.850 -128.204 62.127) 181.126======================= Grid point 2580 (709/781) =======================q-point: ( 0.50 0.35 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.608 ( 18.005 22.300 3.992) 28.938 3.963 ( 33.296 28.634 6.160) 44.345 4.960 ( 1.153 4.407 -0.202) 4.560 5.490 ( 12.503 9.201 3.346) 15.880 7.294 ( -1.751 -1.594 34.827) 34.907 9.427 ( 1.782 4.362 1.491) 4.942 10.072 ( 12.976 9.305 -2.713) 16.196 13.081 ( -25.622 -27.435 -27.476) 46.520 19.834 ( -6.916 -7.744 2.421) 10.661 34.024 ( 2.164 4.855 1.523) 5.529 35.380 ( 22.959 19.400 -2.122) 30.133 65.018 (-125.108 -119.262 67.969) 185.729======================= Grid point 2581 (710/781) =======================q-point: ( 0.55 0.35 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.132 ( 17.160 21.236 3.282) 27.499 4.766 ( 28.821 20.241 7.623) 36.034 5.031 ( 1.792 6.787 -0.103) 7.021 5.815 ( 14.060 8.731 1.978) 16.668 7.358 ( -1.408 -1.255 22.410) 22.489 9.511 ( 2.266 4.608 1.482) 5.345 10.334 ( 8.283 5.057 2.236) 9.959 12.303 ( -21.814 -22.770 -33.160) 45.759 19.701 ( -3.152 -3.713 0.802) 4.935 34.120 ( 2.420 5.652 1.571) 6.346 35.932 ( 22.423 16.151 -1.482) 27.674 62.063 (-123.483 -105.816 62.257) 174.130======================= Grid point 2582 (711/781) =======================q-point: ( 0.60 0.35 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.616 ( 15.175 19.765 2.685) 25.063 5.066 ( 1.476 3.789 0.949) 4.176 5.435 ( 19.853 15.527 7.717) 26.359 6.132 ( 13.614 7.095 -0.258) 15.354 7.419 ( 2.131 1.031 11.637) 11.876 9.598 ( 1.984 4.482 1.070) 5.017 10.372 ( -8.795 -6.894 11.087) 15.742 11.766 ( -3.023 -8.250 -43.433) 44.313 19.651 ( -0.446 -1.242 -0.283) 1.349 34.223 ( 2.054 6.282 1.469) 6.770 36.426 ( 20.062 12.205 -0.706) 23.494 59.321 (-113.347 -90.766 51.410) 154.042======================= Grid point 2583 (712/781) =======================q-point: ( 0.65 0.35 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.043 ( 12.534 17.896 2.254) 21.965 5.115 ( -0.287 3.774 0.794) 3.867 5.793 ( 6.599 6.067 2.872) 9.413 6.407 ( 12.182 4.932 1.883) 13.277 7.568 ( 8.739 4.767 4.429) 10.895 9.662 ( 0.613 2.179 0.278) 2.281 10.016 ( -21.307 -12.780 8.492) 26.257 11.707 ( 14.004 4.013 -42.338) 44.774 19.648 ( 0.874 -0.141 -1.124) 1.431 34.319 ( 1.161 6.654 1.260) 6.871 36.832 ( 16.497 7.974 -0.052) 18.323 56.900 ( -98.219 -75.399 40.636) 130.320======================= Grid point 2584 (713/781) =======================q-point: ( 0.70 0.35 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.400 ( 9.436 15.481 2.101) 18.252 5.135 ( -1.901 3.461 0.757) 4.021 5.806 ( -5.345 -1.319 -7.151) 9.025 6.658 ( 10.097 3.469 8.673) 13.755 7.813 ( 11.609 5.719 0.925) 12.975 9.485 ( -14.981 -13.868 1.093) 20.444 9.774 ( -4.204 6.399 1.389) 7.781 11.881 ( 17.191 6.178 -38.631) 42.732 19.660 ( 1.152 0.076 -2.011) 2.319 34.398 ( -0.101 6.725 1.018) 6.802 37.132 ( 12.183 3.779 0.446) 12.764 54.875 ( -80.028 -60.288 33.100) 105.521======================= Grid point 2598 (714/781) =======================q-point: ( 0.40 0.40 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.748 ( -0.000 25.158 4.713) 25.595 2.456 ( -0.000 48.323 5.505) 48.636 4.883 ( 0.000 2.420 -0.505) 2.472 5.045 ( -0.000 10.537 2.333) 10.792 7.191 ( -0.000 -1.444 52.146) 52.166 9.390 ( 0.000 3.319 -0.737) 3.400 9.518 ( 0.000 11.776 -0.663) 11.794 14.223 ( 0.000 -28.661 -28.250) 40.243 20.270 ( -0.000 -18.725 5.389) 19.485 33.934 ( -0.000 3.256 0.418) 3.283 34.430 ( -0.000 26.322 -0.666) 26.331 70.043 ( -0.000 -151.059 43.809) 157.283======================= Grid point 2599 (715/781) =======================q-point: ( 0.45 0.40 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.107 ( 10.078 26.141 3.927) 28.291 3.078 ( 15.171 44.985 5.279) 47.767 4.919 ( 1.258 3.284 -0.641) 3.574 5.201 ( 4.019 12.001 2.728) 12.947 7.346 ( -0.960 -2.661 43.260) 43.352 9.411 ( -0.677 4.324 -0.126) 4.378 9.704 ( 7.122 12.598 -1.657) 14.566 13.726 ( -10.504 -33.677 -24.884) 43.171 20.067 ( -4.941 -16.236 4.457) 17.546 33.975 ( 0.754 4.191 0.516) 4.290 34.784 ( 10.199 27.269 -1.041) 29.132 68.229 ( -54.525 -155.644 52.458) 173.060======================= Grid point 2600 (716/781) =======================q-point: ( 0.50 0.40 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4004Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.591 ( 14.610 26.277 3.376) 30.255 3.827 ( 22.513 37.436 5.515) 44.030 4.983 ( 1.895 4.870 -0.683) 5.270 5.428 ( 7.683 11.875 2.689) 14.397 7.434 ( -2.207 -3.487 32.568) 32.828 9.459 ( 0.807 5.096 0.637) 5.199 9.966 ( 10.114 12.202 -2.057) 15.982 13.048 ( -18.137 -35.858 -22.741) 46.173 19.857 ( -5.223 -10.951 2.978) 12.493 34.048 ( 1.949 5.492 0.840) 5.888 35.258 ( 15.613 24.834 -1.236) 29.360 65.745 ( -86.018 -146.883 55.614) 179.072======================= Grid point 2601 (717/781) =======================q-point: ( 0.55 0.40 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.112 ( 15.041 26.066 2.883) 30.233 4.569 ( 24.011 27.578 6.365) 37.116 5.073 ( 2.182 7.677 -0.595) 8.003 5.701 ( 10.508 10.486 1.528) 14.923 7.458 ( -2.817 -3.417 21.490) 21.942 9.537 ( 1.662 5.726 1.079) 6.059 10.246 ( 10.063 9.670 0.385) 13.961 12.283 ( -20.577 -33.526 -24.355) 46.266 19.713 ( -3.126 -5.869 1.498) 6.816 34.151 ( 2.467 6.983 1.086) 7.485 35.760 ( 17.758 20.434 -1.027) 27.092 63.012 ( -99.137 -131.393 50.713) 172.233======================= Grid point 2602 (718/781) =======================q-point: ( 0.60 0.40 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4004Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.614 ( 13.373 25.393 2.421) 28.801 5.066 ( 6.599 6.981 3.425) 10.198 5.321 ( 15.578 20.373 3.173) 25.842 5.982 ( 11.747 7.768 -0.477) 14.091 7.456 ( -1.160 -1.597 11.745) 11.910 9.627 ( 1.484 5.895 1.061) 6.171 10.440 ( 1.226 0.934 9.457) 9.582 11.598 ( -11.513 -22.100 -33.462) 41.721 19.644 ( -0.880 -2.422 0.322) 2.597 34.270 ( 2.113 8.516 1.172) 8.852 36.231 ( 17.702 15.028 -0.643) 23.230 60.310 ( -99.529 -113.195 41.076) 156.225======================= Grid point 2603 (719/781) =======================q-point: ( 0.65 0.40 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.067 ( 10.687 24.073 2.049) 26.418 5.168 ( 0.428 5.203 1.873) 5.546 5.746 ( 9.752 12.914 -0.090) 16.182 6.245 ( 12.883 4.295 2.016) 13.729 7.510 ( 4.275 2.304 4.856) 6.867 9.692 ( -0.484 3.120 0.396) 3.182 10.266 ( -17.857 -12.286 13.213) 25.385 11.355 ( 11.138 -1.034 -37.709) 39.333 19.628 ( 0.515 -0.700 -0.646) 1.083 34.391 ( 0.974 9.895 1.106) 10.004 36.634 ( 16.142 9.267 -0.284) 18.615 57.819 ( -91.517 -94.488 31.009) 135.148======================= Grid point 2604 (720/781) =======================q-point: ( 0.70 0.40 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4004Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.452 ( 7.464 21.817 1.887) 23.136 5.216 ( -1.458 5.069 1.907) 5.608 5.850 ( -3.234 3.845 -11.438) 12.492 6.530 ( 13.212 2.657 11.093) 17.455 7.683 ( 9.874 4.968 0.859) 11.086 9.570 ( -10.858 -12.551 -0.054) 16.596 9.979 ( -10.526 5.185 6.059) 13.206 11.502 ( 17.131 3.855 -32.236) 36.709 19.634 ( 0.987 -0.206 -1.596) 1.887 34.499 ( -0.744 10.930 0.955) 10.997 36.947 ( 13.552 3.657 0.010) 14.037 55.657 ( -78.013 -76.420 23.668) 111.742======================= Grid point 2620 (721/781) =======================q-point: ( 0.45 0.45 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2110Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.288 ( -0.000 26.848 3.030) 27.019 3.435 ( -0.000 47.251 5.362) 47.554 4.932 ( 0.000 3.045 -0.878) 3.169 5.311 ( -0.000 14.515 2.637) 14.752 7.474 ( -0.000 -4.099 36.152) 36.384 9.450 ( 0.000 3.609 -1.186) 3.799 9.779 ( -0.000 15.273 -0.246) 15.275 13.370 ( 0.000 -39.087 -21.341) 44.534 19.964 ( -0.000 -15.548 4.058) 16.069 34.007 ( -0.000 4.064 -0.048) 4.064 34.983 ( -0.000 30.253 -0.346) 30.255 67.287 ( -0.000 -166.432 49.310) 173.583======================= Grid point 2621 (722/781) =======================q-point: ( 0.50 0.45 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.647 ( 9.835 26.604 2.468) 28.471 3.980 ( 9.000 42.656 5.596) 43.953 4.981 ( 2.451 3.718 -1.039) 4.573 5.488 ( 2.426 15.315 2.396) 15.690 7.538 ( -1.426 -5.011 27.103) 27.599 9.489 ( 0.964 4.132 -0.802) 4.318 9.973 ( 4.570 15.576 0.160) 16.234 12.820 ( -8.967 -41.957 -18.097) 46.565 19.821 ( -2.313 -11.539 3.214) 12.200 34.065 ( 1.966 4.779 -0.028) 5.168 35.335 ( 6.561 29.157 -0.155) 29.887 65.492 ( -40.999 -162.686 46.051) 173.978======================= Grid point 2622 (723/781) =======================q-point: ( 0.55 0.45 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.126 ( 14.631 26.243 2.073) 30.117 4.573 ( 13.518 33.452 6.228) 36.614 5.080 ( 4.495 5.922 -1.028) 7.506 5.700 ( 4.445 14.545 1.250) 15.260 7.539 ( -2.584 -4.951 17.567) 18.434 9.560 ( 2.287 4.943 -0.092) 5.447 10.220 ( 6.697 14.174 1.550) 15.753 12.141 ( -14.741 -41.059 -16.831) 46.759 19.702 ( -2.142 -6.739 2.158) 7.393 34.166 ( 3.657 6.167 0.232) 7.173 35.744 ( 10.076 25.114 -0.098) 27.060 63.209 ( -66.069 -149.376 39.123) 167.955======================= Grid point 2623 (724/781) =======================q-point: ( 0.60 0.45 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.641 ( 14.842 26.101 1.727) 30.075 5.040 ( 8.019 13.176 4.381) 16.034 5.302 ( 11.715 17.764 1.999) 21.373 5.919 ( 5.784 11.844 -1.323) 13.247 7.504 ( -2.264 -3.210 9.315) 10.109 9.654 ( 2.509 5.370 0.406) 5.941 10.462 ( 4.839 9.645 7.464) 13.121 11.444 ( -14.020 -33.852 -21.115) 42.289 19.636 ( -0.953 -3.017 1.114) 3.355 34.305 ( 4.197 8.092 0.478) 9.128 36.144 ( 11.575 19.206 -0.074) 22.425 60.750 ( -77.242 -131.007 29.357) 154.890======================= Grid point 2624 (725/781) =======================q-point: ( 0.65 0.45 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.131 ( 12.333 25.735 1.437) 28.574 5.200 ( 2.530 5.006 1.975) 5.947 5.728 ( 11.639 18.167 2.207) 21.688 6.107 ( 7.622 5.994 -1.630) 9.833 7.499 ( 1.010 0.657 3.837) 4.022 9.727 ( 0.049 2.334 0.333) 2.359 10.484 ( -13.510 -9.119 18.628) 24.753 11.032 ( 7.223 -6.305 -31.624) 33.046 19.614 ( 0.084 -0.941 0.115) 0.952 34.462 ( 3.401 10.329 0.609) 10.892 36.496 ( 11.773 12.311 -0.101) 17.034 58.348 ( -77.760 -110.796 19.546) 136.764======================= Grid point 2625 (726/781) =======================q-point: ( 0.70 0.45 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.558 ( 8.445 24.439 1.334) 25.892 5.272 ( 0.719 3.229 1.579) 3.666 5.930 ( -3.185 11.657 -12.239) 17.200 6.351 ( 15.107 1.787 11.066) 18.812 7.594 ( 6.198 4.286 0.695) 7.568 9.618 ( -8.958 -11.826 -0.255) 14.838 10.238 ( -10.687 3.322 9.157) 14.461 11.153 ( 14.932 3.100 -22.683) 27.333 19.614 ( 0.548 -0.227 -0.886) 1.066 34.618 ( 1.425 12.550 0.629) 12.646 36.774 ( 11.128 5.200 -0.151) 12.284 56.170 ( -70.604 -90.775 12.310) 115.657======================= Grid point 2642 (727/781) =======================q-point: ( 0.50 0.50 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.825 ( -0.000 26.243 1.761) 26.302 4.347 ( -0.000 41.247 6.010) 41.682 4.986 ( 0.000 3.259 -1.169) 3.462 5.640 ( -0.000 17.370 1.813) 17.465 7.587 ( -0.000 -5.844 19.717) 20.565 9.511 ( 0.000 3.606 -1.368) 3.856 10.104 ( -0.000 17.468 2.140) 17.598 12.406 ( 0.000 -45.405 -13.664) 47.417 19.747 ( -0.000 -9.376 3.077) 9.868 34.089 ( 0.000 4.504 -0.473) 4.529 35.576 ( -0.000 30.089 0.505) 30.093 64.380 ( -0.000 -165.262 37.401) 169.441======================= Grid point 2643 (728/781) =======================q-point: ( 0.55 0.50 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.169 ( 9.778 25.341 1.267) 27.191 4.785 ( 4.388 33.967 6.781) 34.914 5.047 ( 4.006 4.216 -1.096) 5.918 5.826 ( 0.747 18.188 0.375) 18.207 7.578 ( -1.412 -5.533 11.887) 13.188 9.559 ( 2.134 3.803 -1.069) 4.490 10.311 ( 2.452 17.592 3.744) 18.152 11.853 ( -7.194 -45.422 -10.011) 47.065 19.674 ( -0.873 -5.895 2.598) 6.501 34.158 ( 3.139 5.005 -0.488) 5.928 35.895 ( 3.426 27.714 0.714) 27.934 62.654 ( -30.998 -156.859 27.728) 162.279======================= Grid point 2644 (729/781) =======================q-point: ( 0.60 0.50 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4004Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.632 ( 15.242 24.412 0.833) 28.792 5.089 ( 2.976 9.994 1.660) 10.559 5.286 ( 10.811 18.910 5.678) 22.510 6.009 ( 0.422 17.557 -2.721) 17.772 7.535 ( -1.873 -3.412 5.389) 6.648 9.646 ( 3.642 3.955 -0.498) 5.399 10.544 ( 3.285 16.180 5.810) 17.502 11.235 ( -10.993 -40.960 -8.199) 43.195 19.627 ( -0.699 -2.740 1.875) 3.393 34.288 ( 5.778 6.254 -0.319) 8.520 36.216 ( 4.787 22.860 0.629) 23.364 60.585 ( -50.277 -141.156 17.109) 150.817======================= Grid point 2645 (730/781) =======================q-point: ( 0.65 0.50 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.137 ( 15.977 23.735 0.391) 28.614 5.209 ( 2.767 4.992 0.430) 5.724 5.687 ( 13.385 13.976 8.461) 21.121 6.142 ( -1.312 14.190 -6.805) 15.792 7.512 ( -0.335 0.817 1.655) 1.876 9.728 ( 1.800 0.942 0.107) 2.035 10.662 ( -12.622 -25.264 8.915) 29.615 10.781 ( 6.444 9.529 -9.301) 14.793 19.609 ( -0.251 -0.771 0.986) 1.277 34.466 ( 6.950 8.247 -0.136) 10.786 36.493 ( 5.072 16.282 0.355) 17.057 58.419 ( -58.778 -121.725 7.216) 135.366======================= Grid point 2646 (731/781) =======================q-point: ( 0.70 0.50 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2012Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.615 ( 13.239 22.930 -0.000) 26.478 5.279 ( 1.215 2.104 -0.000) 2.430 6.043 ( 7.630 13.215 -0.000) 15.260 6.201 ( 2.707 4.689 0.000) 5.415 7.564 ( 2.830 4.902 -0.000) 5.660 9.636 ( -7.263 -12.580 -0.000) 14.526 10.394 ( -1.530 -2.650 -0.000) 3.060 10.966 ( 4.960 8.591 0.000) 9.920 19.606 ( -0.006 -0.010 -0.000) 0.011 34.673 ( 6.277 10.872 -0.000) 12.554 36.701 ( 5.007 8.672 -0.000) 10.014 56.349 ( -58.499 -101.324 -0.000) 116.999======================= Grid point 2664 (732/781) =======================q-point: ( 0.55 0.55 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2110Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.328 ( -0.000 24.373 0.686) 24.383 5.038 ( 0.000 2.964 -1.280) 3.228 5.096 ( -0.000 29.334 8.207) 30.460 6.009 ( 0.000 20.271 -1.601) 20.334 7.572 ( -0.000 -4.661 5.973) 7.577 9.569 ( 0.000 3.391 -1.193) 3.595 10.488 ( -0.000 18.892 4.280) 19.370 11.439 ( 0.000 -46.042 -2.562) 46.113 19.643 ( -0.000 -3.884 2.685) 4.722 34.172 ( 0.000 4.557 -0.792) 4.625 36.143 ( -0.000 27.166 1.056) 27.187 61.471 ( -0.000 -153.823 16.201) 154.674======================= Grid point 2665 (733/781) =======================q-point: ( 0.60 0.55 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.646 ( 9.690 23.010 0.177) 24.968 5.090 ( 3.243 3.148 -1.255) 4.691 5.403 ( 3.191 20.131 10.047) 22.724 6.190 ( -0.932 20.387 -5.124) 21.042 7.545 ( -0.856 -1.667 1.553) 2.434 9.621 ( 2.641 3.207 -0.842) 4.239 10.667 ( 1.066 10.119 -8.446) 13.224 10.990 ( -5.375 -34.006 16.564) 38.205 19.622 ( -0.332 -1.744 2.383) 2.972 34.250 ( 4.214 4.830 -0.809) 6.461 36.407 ( 0.811 23.954 0.981) 23.988 59.857 ( -23.231 -142.401 4.854) 144.365======================= Grid point 2666 (734/781) =======================q-point: ( 0.65 0.55 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.081 ( 15.621 21.430 -0.447) 26.523 5.187 ( 4.596 3.183 -1.370) 5.756 5.671 ( 6.485 10.308 11.837) 16.983 6.317 ( -3.215 17.667 -9.353) 20.246 7.540 ( -0.506 3.357 -0.288) 3.407 9.694 ( 2.637 0.509 -0.067) 2.686 10.426 ( -1.896 -28.562 -13.483) 31.642 10.985 ( -3.083 13.250 25.493) 28.896 19.615 ( -0.395 -0.259 1.743) 1.806 34.402 ( 7.926 5.797 -0.723) 9.846 36.629 ( 0.142 18.781 0.631) 18.792 58.026 ( -37.499 -125.656 -5.136) 131.232======================= Grid point 2686 (735/781) =======================q-point: ( 0.60 0.60 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.779 ( -0.000 21.670 -0.308) 21.672 5.079 ( 0.000 2.088 -1.138) 2.378 5.587 ( -0.000 13.345 11.338) 17.511 6.372 ( 0.000 19.567 -8.595) 21.371 7.554 ( 0.000 2.508 -0.640) 2.588 9.624 ( 0.000 3.012 -0.689) 3.090 10.472 ( 0.000 -30.224 -14.619) 33.574 11.050 ( -0.000 9.221 31.517) 32.838 19.623 ( -0.000 -0.540 2.497) 2.554 34.252 ( 0.000 4.219 -0.974) 4.330 36.635 ( -0.000 22.315 0.896) 22.333 58.684 ( 0.000 -135.447 -6.741) 135.615======================= Grid point 2688 (736/781) =======================q-point: (-0.35 -0.40 -0.70)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.061 ( 9.403 19.888 -0.905) 22.018 5.126 ( 3.868 1.628 -1.204) 4.366 5.735 ( 1.499 5.553 11.821) 13.146 6.490 ( -2.105 15.972 -11.482) 19.783 7.599 ( -0.336 7.937 -0.919) 7.997 9.665 ( 1.345 1.042 -0.099) 1.705 10.115 ( 0.045 -29.620 -8.329) 30.768 11.282 ( -2.161 15.845 31.243) 35.098 19.629 ( -0.313 0.365 2.201) 2.253 34.332 ( 5.144 4.246 -0.979) 6.741 36.829 ( -1.277 18.622 0.509) 18.673 57.229 ( -17.064 -122.379 -16.643) 124.679======================= Grid point 2709 (737/781) =======================q-point: (-0.35 -0.35 -0.70)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2110Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.162 ( 0.000 18.286 -1.328) 18.334 5.099 ( 0.000 0.680 -0.672) 0.956 5.792 ( -0.000 -0.303 9.758) 9.763 6.603 ( 0.000 12.739 -11.606) 17.233 7.698 ( 0.000 12.031 -0.763) 12.055 9.675 ( -0.000 2.480 0.005) 2.480 9.798 ( 0.000 -28.392 -4.446) 28.738 11.592 ( -0.000 17.443 35.627) 39.668 19.647 ( -0.000 0.841 2.279) 2.429 34.320 ( 0.000 3.504 -1.026) 3.651 37.015 ( -0.000 16.243 0.090) 16.243 56.135 ( 0.000 -113.007 -26.308) 116.029======================= Grid point 2987 (738/781) =======================q-point: ( 0.35 0.35 0.35)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 770Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.096 ( -0.000 0.000 7.613) 7.613 1.096 ( -0.000 0.000 7.613) 7.613 4.830 ( -0.000 0.000 0.027) 0.027 4.830 ( 0.000 0.000 0.027) 0.027 6.994 ( -0.000 0.000 64.136) 64.136 9.295 ( -0.000 0.000 0.166) 0.166 9.295 ( -0.000 -0.000 0.166) 0.166 14.911 ( 0.000 -0.000 -34.561) 34.561 20.727 ( -0.000 0.000 5.169) 5.169 33.852 ( -0.000 0.000 0.963) 0.963 33.852 ( -0.000 0.000 0.963) 0.963 73.386 ( 0.000 -0.000 -1.094) 1.094======================= Grid point 2988 (739/781) =======================q-point: ( 0.40 0.35 0.35)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2110Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.294 ( 14.723 8.501 6.400) 18.166 1.593 ( 34.870 20.132 5.346) 40.618 4.836 ( 0.733 0.423 0.099) 0.853 4.894 ( 5.330 3.077 0.422) 6.169 7.218 ( -0.899 -0.519 57.645) 57.655 9.287 ( 0.302 0.175 0.742) 0.820 9.389 ( 7.148 4.127 -0.976) 8.311 14.645 ( -12.150 -7.015 -31.896) 34.845 20.605 ( -11.651 -6.726 5.045) 14.368 33.859 ( 0.831 0.480 1.174) 1.516 34.031 ( 14.597 8.428 -0.122) 16.856 72.462 ( -79.210 -45.732 13.430) 92.444======================= Grid point 2989 (740/781) =======================q-point: ( 0.45 0.35 0.35)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.738 ( 21.645 12.497 4.923) 25.474 2.499 ( 42.045 24.275 4.294) 48.739 4.863 ( 1.558 0.900 0.110) 1.802 5.069 ( 9.823 5.671 1.200) 11.406 7.383 ( -2.417 -1.395 47.983) 48.064 9.315 ( 1.747 1.009 1.338) 2.421 9.598 ( 11.766 6.793 -2.672) 13.846 14.135 ( -22.880 -13.210 -27.727) 38.299 20.303 ( -15.475 -8.934 4.521) 18.432 33.898 ( 2.141 1.236 1.404) 2.842 34.465 ( 23.339 13.475 -1.498) 26.991 70.187 (-126.655 -73.124 37.207) 150.907======================= Grid point 2990 (741/781) =======================q-point: ( 0.50 0.35 0.35)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2110Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.267 ( 23.448 13.538 3.822) 27.344 3.460 ( 41.393 23.898 4.330) 47.992 4.906 ( 2.184 1.261 0.143) 2.526 5.334 ( 13.040 7.528 1.639) 15.146 7.472 ( -3.941 -2.275 36.490) 36.772 9.373 ( 2.884 1.665 1.736) 3.755 9.883 ( 14.416 8.323 -3.633) 17.038 13.427 ( -30.638 -17.689 -24.616) 43.099 19.995 ( -12.428 -7.175 2.929) 14.646 33.964 ( 3.193 1.843 1.572) 4.008 35.028 ( 26.587 15.350 -2.035) 30.768 67.258 (-145.563 -84.041 50.576) 175.526======================= Grid point 2991 (742/781) =======================q-point: ( 0.55 0.35 0.35)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.803 ( 22.927 13.237 2.951) 26.638 4.366 ( 37.181 21.466 4.818) 43.202 4.960 ( 2.523 1.457 0.250) 2.924 5.653 ( 14.554 8.403 1.312) 16.856 7.490 ( -4.559 -2.632 24.551) 25.109 9.453 ( 3.489 2.014 1.778) 4.403 10.198 ( 13.917 8.035 -1.962) 16.189 12.608 ( -32.757 -18.912 -25.399) 45.561 19.783 ( -7.113 -4.107 1.095) 8.286 34.050 ( 3.847 2.221 1.615) 4.726 35.617 ( 26.077 15.056 -1.775) 30.163 64.155 (-145.885 -84.227 50.726) 175.925======================= Grid point 2992 (743/781) =======================q-point: ( 0.60 0.35 0.35)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2110Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.310 ( 21.198 12.239 2.227) 24.579 5.018 ( 2.442 1.410 0.423) 2.852 5.138 ( 29.104 16.803 4.792) 33.946 5.983 ( 14.254 8.230 0.640) 16.472 7.475 ( -2.563 -1.480 13.770) 14.084 9.538 ( 3.491 2.016 1.423) 4.275 10.442 ( 4.893 2.825 6.078) 8.299 11.835 ( -23.334 -13.472 -33.882) 43.289 19.677 ( -2.714 -1.567 -0.324) 3.150 34.145 ( 4.026 2.325 1.512) 4.889 36.169 ( 23.276 13.438 -1.180) 26.902 61.163 (-135.215 -78.066 43.036) 161.956======================= Grid point 2993 (744/781) =======================q-point: ( 0.65 0.35 0.35)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.767 ( 18.757 10.829 1.665) 21.722 5.069 ( 1.813 1.047 0.597) 2.177 5.657 ( 14.956 8.635 0.038) 17.270 6.297 ( 13.183 7.611 3.699) 15.665 7.518 ( 3.835 2.214 5.654) 7.182 9.616 ( 2.978 1.719 0.765) 3.523 10.314 ( -20.345 -11.746 12.495) 26.608 11.472 ( 5.146 2.971 -41.664) 42.086 19.645 ( -0.186 -0.107 -1.363) 1.380 34.239 ( 3.732 2.155 1.293) 4.500 36.643 ( 19.076 11.013 -0.584) 22.035 58.454 (-118.269 -68.283 33.534) 140.622======================= Grid point 3009 (745/781) =======================q-point: ( 0.40 0.40 0.35)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.339 ( -0.000 17.533 5.068) 18.250 1.593 ( -0.000 39.576 5.255) 39.923 4.846 ( 0.000 1.326 -0.183) 1.339 4.887 ( -0.000 5.915 0.528) 5.938 7.428 ( -0.000 -1.751 52.605) 52.634 9.331 ( 0.000 2.397 -0.459) 2.441 9.343 ( -0.000 5.829 0.286) 5.836 14.525 ( 0.000 -13.899 -29.925) 32.995 20.621 ( -0.000 -13.642 4.534) 14.375 33.884 ( -0.000 1.997 0.500) 2.059 34.011 ( -0.000 15.586 0.504) 15.594 72.510 ( -0.000 -86.560 11.070) 87.265======================= Grid point 3010 (746/781) =======================q-point: ( 0.45 0.40 0.35)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.649 ( 11.214 21.573 4.122) 24.660 2.248 ( 24.307 40.340 4.006) 47.268 4.864 ( 0.503 2.145 -0.127) 2.207 5.007 ( 5.392 8.244 0.784) 9.882 7.575 ( -1.733 -3.130 44.226) 44.370 9.334 ( -0.811 3.396 0.564) 3.537 9.495 ( 7.733 8.075 -1.384) 11.266 14.156 ( -11.269 -20.242 -25.823) 34.692 20.408 ( -8.703 -15.783 4.180) 18.502 33.907 ( 0.238 3.009 0.768) 3.115 34.310 ( 13.152 20.161 -0.514) 24.077 71.024 ( -64.502 -111.267 24.604) 130.944======================= Grid point 3011 (747/781) =======================q-point: ( 0.50 0.40 0.35)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.121 ( 16.676 22.476 3.306) 28.181 3.124 ( 32.556 35.297 3.484) 48.144 4.903 ( 1.114 3.109 -0.029) 3.303 5.225 ( 9.615 9.473 1.001) 13.534 7.642 ( -3.679 -4.306 33.839) 34.309 9.374 ( 0.981 3.737 1.252) 4.062 9.738 ( 11.412 9.937 -2.766) 15.383 13.567 ( -21.127 -25.448 -21.451) 39.422 20.108 ( -10.552 -12.956 3.080) 16.991 33.959 ( 1.593 3.836 1.114) 4.301 34.798 ( 20.141 21.265 -1.332) 29.320 68.554 (-104.012 -119.514 36.218) 162.523======================= Grid point 3012 (748/781) =======================q-point: ( 0.55 0.40 0.35)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.645 ( 17.911 22.152 2.557) 28.602 4.018 ( 33.849 29.423 3.428) 44.980 4.960 ( 1.304 4.149 0.135) 4.351 5.511 ( 12.533 9.528 0.796) 15.764 7.629 ( -5.108 -4.897 22.887) 23.956 9.445 ( 2.006 4.123 1.597) 4.855 10.040 ( 13.534 10.358 -2.839) 17.278 12.810 ( -27.744 -28.055 -19.111) 43.841 19.857 ( -7.692 -8.098 1.441) 11.262 34.040 ( 2.375 4.711 1.309) 5.436 35.360 ( 22.839 19.661 -1.473) 30.172 65.621 (-121.301 -116.117 38.099) 172.187======================= Grid point 3013 (749/781) =======================q-point: ( 0.60 0.40 0.35)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.162 ( 17.047 21.218 1.877) 27.282 4.827 ( 29.285 21.121 3.087) 36.239 5.032 ( 2.116 6.666 0.285) 7.000 5.826 ( 13.817 8.503 0.303) 16.227 7.564 ( -4.731 -4.176 13.034) 14.481 9.529 ( 2.216 4.379 1.514) 5.136 10.352 ( 12.151 8.371 0.724) 14.773 11.984 ( -28.164 -26.138 -21.777) 44.166 19.706 ( -3.784 -3.855 -0.067) 5.402 34.137 ( 2.513 5.532 1.330) 6.220 35.917 ( 22.544 16.483 -1.205) 27.954 62.602 (-122.552 -105.716 32.186) 165.017======================= Grid point 3014 (750/781) =======================q-point: ( 0.65 0.40 0.35)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.639 ( 15.088 19.850 1.305) 24.967 5.077 ( 1.055 4.214 1.008) 4.459 5.472 ( 19.424 15.060 -1.553) 24.627 6.143 ( 14.647 7.177 2.679) 16.529 7.520 ( -0.558 -1.081 5.732) 5.860 9.610 ( 1.707 4.214 1.014) 4.658 10.516 ( -5.674 -4.114 13.950) 15.612 11.312 ( -9.292 -11.224 -35.450) 38.327 19.643 ( -0.914 -1.229 -1.236) 1.968 34.238 ( 2.051 6.181 1.199) 6.622 36.417 ( 20.287 12.500 -0.840) 23.844 59.750 (-113.256 -91.614 23.608) 147.571======================= Grid point 3031 (751/781) =======================q-point: ( 0.45 0.45 0.35)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.792 ( -0.000 24.762 2.832) 24.923 2.510 ( -0.000 48.530 3.850) 48.683 4.878 ( 0.000 2.209 -0.488) 2.262 5.063 ( -0.000 11.351 1.011) 11.396 7.707 ( -0.000 -4.879 37.150) 37.469 9.379 ( 0.000 3.136 -1.112) 3.327 9.516 ( -0.000 11.412 0.353) 11.418 13.931 ( 0.000 -26.591 -21.957) 34.485 20.323 ( -0.000 -18.729 3.798) 19.110 33.936 ( -0.000 3.138 -0.036) 3.138 34.427 ( -0.000 25.943 0.141) 25.944 70.429 ( -0.000 -136.785 24.704) 138.998======================= Grid point 3032 (752/781) =======================q-point: ( 0.50 0.45 0.35)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.142 ( 10.265 25.853 2.195) 27.902 3.127 ( 15.079 45.578 3.306) 48.121 4.912 ( 1.384 2.996 -0.521) 3.341 5.221 ( 4.056 12.730 1.094) 13.405 7.759 ( -2.152 -6.254 28.018) 28.788 9.407 ( 0.256 3.916 -0.452) 3.950 9.692 ( 5.978 12.850 -0.429) 14.179 13.480 ( -10.523 -32.038 -17.254) 37.880 20.110 ( -5.277 -16.443 3.030) 17.533 33.979 ( 1.181 3.999 0.082) 4.170 34.778 ( 9.701 27.292 -0.183) 28.965 68.684 ( -51.129 -146.567 28.078) 157.748======================= Grid point 3033 (753/781) =======================q-point: ( 0.55 0.45 0.35)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.621 ( 14.763 26.084 1.751) 30.024 3.875 ( 22.615 38.386 2.871) 44.645 4.977 ( 2.128 4.505 -0.363) 4.996 5.446 ( 7.513 12.303 0.859) 14.441 7.729 ( -4.069 -6.923 18.257) 19.945 9.465 ( 1.552 4.678 0.399) 4.945 9.948 ( 9.430 13.271 -1.093) 16.317 12.838 ( -19.255 -35.339 -13.327) 42.394 19.885 ( -5.840 -11.139 1.784) 12.704 34.055 ( 2.393 5.259 0.445) 5.795 35.248 ( 15.195 25.159 -0.525) 29.397 66.214 ( -83.315 -143.242 27.021) 167.898======================= Grid point 3034 (754/781) =======================q-point: ( 0.60 0.45 0.35)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.136 ( 15.120 25.989 1.285) 30.095 4.619 ( 24.209 28.856 2.294) 37.736 5.069 ( 2.429 7.319 -0.058) 7.712 5.709 ( 10.110 10.285 0.200) 14.424 7.639 ( -4.748 -6.314 9.585) 12.421 9.549 ( 2.075 5.365 0.880) 5.820 10.248 ( 11.236 12.352 -0.317) 16.701 12.071 ( -24.422 -34.976 -11.952) 44.301 19.725 ( -3.791 -5.856 0.440) 6.990 34.161 ( 2.796 6.765 0.703) 7.353 35.750 ( 17.534 20.838 -0.636) 27.241 63.419 ( -97.885 -131.122 20.619) 164.923======================= Grid point 3035 (755/781) =======================q-point: ( 0.65 0.45 0.35)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.632 ( 13.414 25.436 0.822) 28.768 5.090 ( 5.394 6.848 1.091) 8.785 5.332 ( 15.781 21.136 -1.651) 26.429 5.985 ( 12.539 7.378 1.197) 14.598 7.545 ( -2.641 -3.575 3.602) 5.721 9.638 ( 1.512 5.548 0.844) 5.812 10.539 ( 8.162 8.179 6.419) 13.218 11.294 ( -21.943 -28.239 -17.968) 40.022 19.642 ( -1.480 -2.244 -0.736) 2.787 34.281 ( 2.305 8.335 0.785) 8.684 36.223 ( 17.633 15.372 -0.643) 23.402 60.614 ( -98.758 -114.149 12.106) 151.425======================= Grid point 3053 (756/781) =======================q-point: ( 0.50 0.50 0.35)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.313 ( -0.000 26.725 1.295) 26.756 3.484 ( -0.000 47.996 3.079) 48.095 4.922 ( 0.000 2.829 -0.776) 2.934 5.331 ( -0.000 15.043 1.167) 15.088 7.802 ( -0.000 -7.712 20.229) 21.649 9.434 ( 0.000 3.570 -1.569) 3.900 9.785 ( -0.000 15.534 1.362) 15.594 13.172 ( 0.000 -37.471 -12.317) 39.443 20.003 ( -0.000 -15.696 2.700) 15.926 34.003 ( 0.000 3.985 -0.551) 4.023 34.985 ( -0.000 30.305 0.489) 30.309 67.699 ( -0.000 -160.194 23.327) 161.884======================= Grid point 3054 (757/781) =======================q-point: ( 0.55 0.50 0.35)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.666 ( 9.975 26.514 0.799) 28.339 4.028 ( 8.989 43.800 2.674) 44.793 4.970 ( 2.523 3.477 -0.796) 4.369 5.506 ( 2.335 15.492 0.989) 15.698 7.765 ( -2.149 -8.323 11.852) 14.641 9.478 ( 1.592 4.001 -1.203) 4.471 9.984 ( 3.856 16.564 1.681) 17.089 12.669 ( -9.541 -40.869 -7.465) 42.627 19.851 ( -2.653 -11.577 1.987) 12.042 34.062 ( 2.285 4.663 -0.520) 5.219 35.337 ( 6.253 29.382 0.528) 30.045 65.853 ( -39.994 -160.223 17.507) 166.064======================= Grid point 3055 (758/781) =======================q-point: ( 0.60 0.50 0.35)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.141 ( 14.802 26.151 0.409) 30.052 4.620 ( 13.440 35.028 2.042) 37.574 5.072 ( 4.757 5.818 -0.505) 7.532 5.708 ( 4.053 13.967 0.307) 14.547 7.668 ( -3.452 -7.560 4.570) 9.484 9.557 ( 2.970 4.702 -0.510) 5.585 10.238 ( 6.381 16.147 1.376) 17.417 12.022 ( -16.865 -40.851 -3.414) 44.327 19.721 ( -2.690 -6.594 1.024) 7.194 34.166 ( 4.061 5.989 -0.247) 7.241 35.745 ( 9.711 25.437 0.315) 27.229 63.484 ( -65.219 -149.563 9.150) 163.420======================= Grid point 3056 (759/781) =======================q-point: ( 0.65 0.50 0.35)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2010Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.651 ( 15.024 26.023 -0.000) 30.048 5.064 ( 7.113 12.320 -0.000) 14.226 5.316 ( 11.969 20.730 -0.000) 23.937 5.910 ( 5.890 10.202 0.000) 11.780 7.558 ( -2.728 -4.726 -0.000) 5.457 9.657 ( 2.950 5.110 -0.000) 5.900 10.512 ( 8.127 14.077 -0.000) 16.255 11.314 ( -20.834 -36.086 0.000) 41.669 19.643 ( -1.575 -2.728 -0.000) 3.150 34.307 ( 4.555 7.889 -0.000) 9.109 36.144 ( 11.262 19.507 -0.000) 22.525 60.917 ( -76.316 -132.184 -0.000) 152.633======================= Grid point 3075 (760/781) =======================q-point: ( 0.55 0.55 0.35)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.836 ( -0.000 26.233 0.150) 26.233 4.395 ( -0.000 42.838 2.406) 42.906 4.974 ( 0.000 3.084 -0.940) 3.224 5.653 ( -0.000 17.019 0.761) 17.036 7.731 ( -0.000 -8.698 5.038) 10.052 9.493 ( 0.000 3.751 -1.671) 4.107 10.136 ( -0.000 18.427 3.119) 18.689 12.316 ( 0.000 -44.018 -1.368) 44.040 19.776 ( -0.000 -9.273 1.889) 9.463 34.080 ( 0.000 4.483 -0.961) 4.585 35.585 ( -0.000 30.233 1.030) 30.251 64.638 ( 0.000 -164.776 7.978) 164.969======================= Grid point 3076 (761/781) =======================q-point: ( 0.60 0.55 0.35)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.174 ( 9.838 25.323 -0.317) 27.169 4.835 ( 4.115 35.688 1.843) 35.971 5.037 ( 4.345 4.761 -0.659) 6.480 5.827 ( 0.529 16.785 -0.033) 16.793 7.644 ( -1.618 -7.492 -0.604) 7.688 9.545 ( 2.445 3.946 -1.368) 4.840 10.346 ( 2.073 18.061 2.005) 18.290 11.824 ( -8.152 -43.215 5.646) 44.338 19.698 ( -1.175 -5.655 1.446) 5.954 34.150 ( 3.347 4.970 -0.956) 6.068 35.904 ( 3.224 27.836 1.003) 28.040 62.799 ( -30.625 -157.868 -2.267) 160.827======================= Grid point 3098 (762/781) =======================q-point: (-0.40 -0.40 -0.65)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.328 ( -0.000 24.391 -0.801) 24.404 5.025 ( 0.000 2.864 -0.898) 3.001 5.155 ( -0.000 32.692 1.894) 32.747 5.992 ( 0.000 17.553 -1.135) 17.590 7.581 ( 0.000 -5.491 -4.435) 7.058 9.555 ( 0.000 3.708 -1.374) 3.954 10.497 ( 0.000 14.143 -2.733) 14.405 11.529 ( -0.000 -38.201 18.374) 42.390 19.667 ( -0.000 -3.582 1.531) 3.895 34.161 ( 0.000 4.598 -1.212) 4.755 36.156 ( -0.000 27.127 1.141) 27.151 61.486 ( 0.000 -155.391 -13.515) 155.978======================= Grid point 3422 (763/781) =======================q-point: ( 0.40 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 781Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.169 ( -0.000 0.000 5.171) 5.171 1.169 ( -0.000 0.000 5.171) 5.171 4.831 ( -0.000 0.000 0.024) 0.024 4.831 ( -0.000 0.000 0.024) 0.024 7.640 ( -0.000 0.000 48.288) 48.288 9.297 ( -0.000 0.000 0.119) 0.119 9.297 ( -0.000 0.000 0.119) 0.119 14.546 ( 0.000 -0.000 -28.422) 28.422 20.777 ( -0.000 0.000 3.552) 3.552 33.862 ( -0.000 0.000 0.699) 0.699 33.862 ( -0.000 0.000 0.699) 0.699 73.375 ( 0.000 -0.000 -0.795) 0.795======================= Grid point 3423 (764/781) =======================q-point: ( 0.45 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.356 ( 14.383 8.304 4.301) 17.156 1.642 ( 34.331 19.821 3.327) 39.782 4.838 ( 0.757 0.437 0.136) 0.885 4.896 ( 5.592 3.229 0.050) 6.458 7.784 ( -2.390 -1.380 40.544) 40.638 9.296 ( 0.631 0.365 0.848) 1.118 9.378 ( 6.386 3.687 -0.992) 7.440 14.318 ( -11.228 -6.482 -24.362) 27.597 20.653 ( -11.417 -6.592 3.252) 13.579 33.871 ( 0.996 0.575 0.962) 1.499 34.030 ( 13.949 8.054 -0.154) 16.108 72.578 ( -68.917 -39.789 7.265) 79.909======================= Grid point 3424 (765/781) =======================q-point: ( 0.50 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.784 ( 21.354 12.329 3.192) 24.863 2.537 ( 42.144 24.332 2.366) 48.721 4.865 ( 1.569 0.906 0.232) 1.826 5.076 ( 10.175 5.875 0.200) 11.751 7.838 ( -4.888 -2.822 30.697) 31.211 9.331 ( 1.993 1.151 1.501) 2.748 9.568 ( 10.978 6.338 -2.412) 12.903 13.861 ( -21.964 -12.681 -19.162) 31.787 20.344 ( -15.693 -9.060 2.653) 18.314 33.913 ( 2.281 1.317 1.206) 2.897 34.451 ( 22.832 13.182 -1.092) 26.387 70.507 (-116.073 -67.015 19.628) 135.459======================= Grid point 3425 (766/781) =======================q-point: ( 0.55 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.302 ( 23.250 13.423 2.258) 26.941 3.496 ( 41.786 24.125 1.976) 48.291 4.909 ( 2.210 1.276 0.386) 2.581 5.343 ( 13.251 7.650 0.159) 15.302 7.801 ( -6.861 -3.961 20.270) 21.763 9.394 ( 2.966 1.712 1.862) 3.898 9.843 ( 14.245 8.224 -3.347) 16.786 13.198 ( -30.996 -17.895 -14.748) 38.710 20.020 ( -13.027 -7.521 1.286) 15.097 33.981 ( 3.279 1.893 1.352) 4.021 35.008 ( 26.446 15.268 -1.478) 30.573 67.684 (-139.455 -80.515 24.620) 162.901======================= Grid point 3426 (767/781) =======================q-point: ( 0.60 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.829 ( 22.789 13.157 1.464) 26.355 4.401 ( 37.587 21.701 1.304) 43.422 4.965 ( 2.566 1.482 0.621) 3.028 5.658 ( 14.578 8.416 -0.117) 16.833 7.697 ( -7.356 -4.247 10.985) 13.886 9.473 ( 3.375 1.949 1.813) 4.298 10.171 ( 15.603 9.008 -2.803) 18.234 12.384 ( -35.960 -20.762 -13.181) 43.565 19.789 ( -7.679 -4.434 -0.268) 8.871 34.067 ( 3.864 2.231 1.354) 4.663 35.599 ( 26.190 15.121 -1.392) 30.274 64.564 (-143.666 -82.945 21.076) 167.224======================= Grid point 3444 (768/781) =======================q-point: ( 0.45 0.45 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2110Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.383 ( -0.000 16.977 2.759) 17.200 1.642 ( -0.000 39.213 3.290) 39.351 4.843 ( 0.000 1.174 -0.185) 1.188 4.891 ( -0.000 6.255 0.292) 6.262 7.925 ( -0.000 -3.224 33.502) 33.657 9.324 ( 0.000 2.044 -0.667) 2.150 9.348 ( -0.000 5.812 0.595) 5.843 14.232 ( 0.000 -12.842 -20.469) 24.164 20.663 ( -0.000 -13.290 2.686) 13.559 33.887 ( -0.000 1.816 0.113) 1.819 34.017 ( -0.000 15.320 0.561) 15.330 72.603 ( -0.000 -76.920 5.586) 77.123======================= Grid point 3445 (769/781) =======================q-point: ( 0.50 0.45 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.684 ( 11.502 21.059 2.119) 24.089 2.283 ( 23.949 40.553 2.083) 47.142 4.863 ( 0.723 1.909 -0.066) 2.043 5.013 ( 5.325 8.657 0.248) 10.167 7.972 ( -2.786 -4.921 24.380) 25.027 9.340 ( 0.126 2.880 0.386) 2.909 9.482 ( 6.474 8.254 -0.798) 10.520 13.917 ( -10.860 -19.115 -15.157) 26.703 20.445 ( -8.806 -15.623 2.187) 18.066 33.913 ( 0.777 2.714 0.409) 2.853 34.306 ( 12.422 20.137 -0.188) 23.661 71.226 ( -59.486 -102.805 11.399) 119.321======================= Grid point 3446 (770/781) =======================q-point: ( 0.55 0.45 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.149 ( 16.770 22.180 1.549) 27.849 3.151 ( 32.538 35.667 1.268) 48.296 4.904 ( 1.330 2.892 0.167) 3.187 5.231 ( 9.557 9.800 0.093) 13.689 7.924 ( -5.267 -6.124 14.695) 16.769 9.388 ( 1.605 3.343 1.155) 3.884 9.711 ( 10.411 10.246 -1.985) 14.742 13.383 ( -21.179 -24.815 -9.943) 34.106 20.133 ( -11.008 -13.040 1.144) 17.104 33.970 ( 1.999 3.595 0.781) 4.186 34.786 ( 19.644 21.420 -0.814) 29.075 68.839 ( -99.576 -114.758 14.072) 152.587======================= Grid point 3447 (771/781) =======================q-point: ( 0.60 0.45 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.665 ( 17.902 22.012 0.919) 28.388 4.040 ( 33.906 29.784 0.418) 45.131 4.963 ( 1.511 3.980 0.482) 4.285 5.513 ( 12.397 9.680 -0.258) 15.731 7.798 ( -6.642 -6.433 6.199) 11.133 9.462 ( 2.296 3.797 1.494) 4.682 10.009 ( 13.330 11.172 -2.558) 17.580 12.662 ( -29.336 -28.463 -6.370) 41.368 19.864 ( -8.290 -8.191 -0.227) 11.656 34.053 ( 2.627 4.524 0.963) 5.319 35.346 ( 22.616 19.900 -1.008) 30.142 65.895 (-119.043 -114.480 10.067) 165.464======================= Grid point 3466 (772/781) =======================q-point: ( 0.50 0.50 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.812 ( -0.000 24.549 0.800) 24.562 2.543 ( -0.000 48.665 1.882) 48.702 4.872 ( 0.000 2.025 -0.430) 2.070 5.071 ( -0.000 11.678 0.507) 11.689 8.016 ( -0.000 -6.757 16.168) 17.523 9.365 ( 0.000 2.890 -1.381) 3.202 9.525 ( -0.000 11.478 1.238) 11.544 13.744 ( 0.000 -25.319 -9.923) 27.194 20.355 ( -0.000 -18.532 1.757) 18.615 33.933 ( 0.000 2.985 -0.486) 3.024 34.432 ( -0.000 25.858 0.586) 25.865 70.620 ( -0.000 -129.429 9.259) 129.760======================= Grid point 3467 (773/781) =======================q-point: ( 0.55 0.50 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 4000Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.156 ( 10.524 25.674 0.326) 27.749 3.152 ( 14.890 45.926 1.064) 48.291 4.907 ( 1.583 2.760 -0.356) 3.202 5.229 ( 3.929 13.053 0.409) 13.638 7.965 ( -2.753 -7.948 7.480) 11.257 9.400 ( 1.238 3.468 -0.850) 3.780 9.694 ( 4.745 13.422 0.878) 14.263 13.352 ( -10.609 -31.036 -4.524) 33.110 20.134 ( -5.555 -16.332 1.028) 17.282 33.977 ( 1.650 3.770 -0.367) 4.132 34.779 ( 9.196 27.454 0.372) 28.956 68.881 ( -49.471 -142.518 6.647) 151.006======================= Grid point 3468 (774/781) =======================q-point: ( 0.60 0.50 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2012Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.631 ( 14.971 25.930 -0.000) 29.941 3.891 ( 22.424 38.840 -0.000) 44.849 4.975 ( 2.448 4.240 -0.000) 4.896 5.451 ( 7.235 12.531 -0.000) 14.469 7.835 ( -4.697 -8.136 -0.000) 9.395 9.467 ( 2.414 4.181 -0.000) 4.828 9.942 ( 8.221 14.238 -0.000) 16.441 12.760 ( -20.121 -34.850 -0.000) 40.242 19.895 ( -6.353 -11.003 -0.000) 12.705 34.058 ( 2.879 4.986 -0.000) 5.758 35.245 ( 14.704 25.469 -0.000) 29.409 66.368 ( -82.052 -142.118 -0.000) 164.104======================= Grid point 3488 (775/781) =======================q-point: ( 0.55 0.55 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2110Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.318 ( -0.000 26.727 -0.512) 26.732 3.505 ( -0.000 48.327 0.565) 48.331 4.914 ( 0.000 2.658 -0.605) 2.726 5.341 ( -0.000 15.257 0.513) 15.265 7.919 ( 0.000 -9.029 0.006) 9.029 9.415 ( 0.000 3.507 -1.803) 3.943 9.809 ( -0.000 16.014 2.621) 16.227 13.105 ( 0.000 -36.390 1.050) 36.405 20.023 ( 0.000 -15.486 0.754) 15.504 33.994 ( 0.000 3.889 -1.001) 4.016 34.994 ( -0.000 30.403 1.031) 30.420 67.827 ( 0.000 -158.332 -0.652) 158.333======================= Grid point 3858 (776/781) =======================q-point: ( 0.45 0.45 0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 770Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.213 ( -0.000 0.000 2.614) 2.614 1.213 ( -0.000 0.000 2.614) 2.614 4.831 ( -0.000 0.000 0.014) 0.014 4.831 ( -0.000 0.000 0.014) 0.014 8.073 ( -0.000 0.000 26.524) 26.524 9.298 ( -0.000 0.000 0.062) 0.062 9.298 ( -0.000 0.000 0.062) 0.062 14.284 ( 0.000 -0.000 -16.542) 16.542 20.808 ( -0.000 0.000 1.805) 1.805 33.868 ( -0.000 0.000 0.368) 0.368 33.868 ( -0.000 0.000 0.368) 0.368 73.368 ( 0.000 -0.000 -0.418) 0.418======================= Grid point 3859 (777/781) =======================q-point: ( 0.50 0.45 0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2110Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.392 ( 14.291 8.251 2.017) 16.625 1.668 ( 34.012 19.637 1.126) 39.290 4.839 ( 0.814 0.470 0.162) 0.953 4.896 ( 5.624 3.247 -0.103) 6.495 8.121 ( -3.242 -1.872 17.532) 17.928 9.306 ( 1.011 0.584 0.871) 1.457 9.367 ( 5.747 3.318 -0.943) 6.703 14.111 ( -10.715 -6.187 -11.065) 16.599 20.679 ( -11.293 -6.520 1.301) 13.104 33.881 ( 1.187 0.685 0.655) 1.519 34.027 ( 13.527 7.810 -0.301) 15.622 72.634 ( -63.824 -36.849 2.703) 73.748======================= Grid point 3860 (778/781) =======================q-point: ( 0.55 0.45 0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.810 ( 21.229 12.257 1.247) 24.545 2.552 ( 42.184 24.355 0.250) 48.710 4.868 ( 1.636 0.944 0.341) 1.919 5.075 ( 10.220 5.901 -0.221) 11.803 8.063 ( -6.078 -3.509 8.098) 10.716 9.348 ( 2.254 1.301 1.515) 3.011 9.543 ( 10.336 5.967 -1.937) 12.091 13.717 ( -21.587 -12.463 -5.427) 25.510 20.362 ( -15.860 -9.157 0.477) 18.320 33.925 ( 2.435 1.406 0.890) 2.949 34.440 ( 22.522 13.003 -0.849) 26.020 70.645 (-111.314 -64.267 4.858) 128.626======================= Grid point 3880 (779/781) =======================q-point: ( 0.50 0.50 0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.401 ( -0.000 16.633 0.365) 16.637 1.668 ( -0.000 39.128 1.122) 39.144 4.841 ( 0.000 1.041 -0.177) 1.056 4.894 ( -0.000 6.418 0.188) 6.421 8.171 ( -0.000 -3.911 8.898) 9.719 9.316 ( 0.000 1.621 -0.809) 1.811 9.357 ( -0.000 6.097 0.813) 6.151 14.079 ( 0.000 -12.320 -5.606) 13.535 20.682 ( 0.000 -13.074 0.709) 13.093 33.886 ( 0.000 1.600 -0.285) 1.625 34.023 ( -0.000 15.352 0.465) 15.359 72.642 ( 0.000 -72.855 1.306) 72.867======================= Grid point 3881 (780/781) =======================q-point: ( 0.55 0.50 0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 2010Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.697 ( 11.945 20.690 -0.000) 23.890 2.295 ( 23.550 40.790 -0.000) 47.100 4.862 ( 0.991 1.717 -0.000) 1.982 5.014 ( 5.119 8.866 -0.000) 10.238 8.114 ( -3.188 -5.521 -0.000) 6.376 9.342 ( 1.280 2.217 -0.000) 2.560 9.477 ( 5.114 8.857 -0.000) 10.227 13.828 ( -10.782 -18.675 -0.000) 21.564 20.458 ( -8.942 -15.488 -0.000) 17.884 33.916 ( 1.372 2.377 -0.000) 2.744 34.305 ( 11.765 20.377 -0.000) 23.529 71.291 ( -57.798 -100.110 -0.000) 115.597======================= Grid point 4300 (781/781) =======================q-point: (-0.50 -0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.46e-03 0.00e+00 0.00e+00 Number of triplets: 396Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.228 ( -0.000 0.000 0.000) 0.000 1.228 ( -0.000 0.000 0.000) 0.000 4.831 ( -0.000 0.000 0.000) 0.000 4.831 ( -0.000 0.000 0.000) 0.000 8.227 ( -0.000 0.000 0.000) 0.000 9.298 ( -0.000 0.000 0.000) 0.000 9.298 ( -0.000 0.000 0.000) 0.000 14.187 ( -0.000 0.000 0.000) 0.000 20.818 ( -0.000 0.000 0.000) 0.000 33.870 ( -0.000 0.000 0.000) 0.000 33.870 ( -0.000 0.000 0.000) 0.000 73.366 ( -0.000 0.000 0.000) 0.000=================== End of collection of collisions ===================----------- Thermal conductivity (W/m-k) with tetrahedron method -----------# T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/96000 10.0 455.609 455.609 1403.197 0.000 -0.000 0.000 3/96000 20.0 457.205 457.205 826.723 0.000 -0.000 0.000 3/96000 30.0 284.496 284.496 527.534 0.000 -0.000 0.000 3/96000 40.0 159.871 159.871 312.964 0.000 -0.000 0.000 3/96000 50.0 98.249 98.249 193.844 0.000 -0.000 0.000 3/96000 60.0 66.642 66.642 130.129 0.000 -0.000 0.000 3/96000 70.0 48.726 48.726 93.969 0.000 -0.000 0.000 3/96000 80.0 37.640 37.640 71.885 0.000 -0.000 0.000 3/96000 90.0 30.299 30.299 57.485 0.000 -0.000 0.000 3/96000 100.0 25.173 25.173 47.569 0.000 -0.000 0.000 3/96000 110.0 21.440 21.440 40.426 0.000 -0.000 0.000 3/96000 120.0 18.627 18.627 35.087 0.000 -0.000 0.000 3/96000 130.0 16.446 16.446 30.972 0.000 -0.000 0.000 3/96000 140.0 14.714 14.714 27.717 0.000 -0.000 0.000 3/96000 150.0 13.311 13.311 25.086 0.000 -0.000 0.000 3/96000 160.0 12.155 12.155 22.919 0.000 -0.000 0.000 3/96000 170.0 11.188 11.188 21.105 0.000 -0.000 0.000 3/96000 180.0 10.369 10.369 19.567 0.000 -0.000 0.000 3/96000 190.0 9.668 9.668 18.245 0.000 -0.000 0.000 3/96000 200.0 9.064 9.064 17.099 0.000 -0.000 0.000 3/96000 210.0 8.537 8.537 16.095 0.000 -0.000 0.000 3/96000 220.0 8.076 8.076 15.209 0.000 -0.000 0.000 3/96000 230.0 7.671 7.671 14.421 0.000 -0.000 0.000 3/96000 240.0 7.312 7.312 13.717 0.000 -0.000 0.000 3/96000 250.0 6.993 6.993 13.083 0.000 -0.000 0.000 3/96000 260.0 6.708 6.708 12.511 0.000 -0.000 0.000 3/96000 270.0 6.454 6.454 11.991 0.000 -0.000 0.000 3/96000 280.0 6.225 6.225 11.517 0.000 -0.000 0.000 3/96000 290.0 6.019 6.019 11.083 0.000 -0.000 0.000 3/96000 300.0 5.834 5.834 10.685 0.000 -0.000 0.000 3/96000 310.0 5.666 5.666 10.318 0.000 -0.000 0.000 3/96000 320.0 5.514 5.514 9.980 0.000 -0.000 0.000 3/96000 330.0 5.376 5.376 9.667 0.000 -0.000 0.000 3/96000 340.0 5.250 5.250 9.376 0.000 -0.000 0.000 3/96000 350.0 5.135 5.135 9.106 0.000 -0.000 0.000 3/96000 360.0 5.031 5.031 8.854 0.000 -0.000 0.000 3/96000 370.0 4.934 4.934 8.619 0.000 -0.000 0.000 3/96000 380.0 4.846 4.846 8.399 0.000 -0.000 0.000 3/96000 390.0 4.765 4.765 8.194 0.000 -0.000 0.000 3/96000 400.0 4.690 4.690 8.000 0.000 -0.000 0.000 3/96000 410.0 4.621 4.621 7.819 0.000 -0.000 0.000 3/96000 420.0 4.557 4.557 7.647 0.000 -0.000 0.000 3/96000 430.0 4.497 4.497 7.486 0.000 -0.000 0.000 3/96000 440.0 4.442 4.442 7.334 0.000 -0.000 0.000 3/96000 450.0 4.390 4.390 7.190 0.000 -0.000 0.000 3/96000 460.0 4.342 4.342 7.053 0.000 -0.000 0.000 3/96000 470.0 4.297 4.297 6.923 0.000 -0.000 0.000 3/96000 480.0 4.254 4.254 6.800 0.000 -0.000 0.000 3/96000 490.0 4.214 4.214 6.684 0.000 -0.000 0.000 3/96000 500.0 4.176 4.176 6.572 0.000 -0.000 0.000 3/96000 510.0 4.141 4.141 6.466 0.000 -0.000 0.000 3/96000 520.0 4.107 4.107 6.364 0.000 -0.000 0.000 3/96000 530.0 4.074 4.074 6.267 0.000 -0.000 0.000 3/96000 540.0 4.043 4.043 6.175 0.000 -0.000 0.000 3/96000 550.0 4.014 4.014 6.086 0.000 -0.000 0.000 3/96000 560.0 3.985 3.985 6.000 0.000 -0.000 0.000 3/96000 570.0 3.958 3.958 5.918 0.000 -0.000 0.000 3/96000 580.0 3.932 3.932 5.839 0.000 -0.000 0.000 3/96000 590.0 3.907 3.907 5.763 0.000 -0.000 0.000 3/96000 600.0 3.882 3.882 5.690 0.000 -0.000 0.000 3/96000 610.0 3.858 3.858 5.619 0.000 -0.000 0.000 3/96000 620.0 3.835 3.835 5.551 0.000 -0.000 0.000 3/96000 630.0 3.813 3.813 5.485 0.000 -0.000 0.000 3/96000 640.0 3.791 3.791 5.421 0.000 -0.000 0.000 3/96000 650.0 3.770 3.770 5.360 0.000 -0.000 0.000 3/96000 660.0 3.749 3.749 5.300 0.000 -0.000 0.000 3/96000 670.0 3.728 3.728 5.242 0.000 -0.000 0.000 3/96000 680.0 3.708 3.708 5.185 0.000 -0.000 0.000 3/96000 690.0 3.689 3.689 5.130 0.000 -0.000 0.000 3/96000 700.0 3.669 3.669 5.077 0.000 -0.000 0.000 3/96000 710.0 3.650 3.650 5.025 0.000 -0.000 0.000 3/96000 720.0 3.632 3.632 4.974 0.000 -0.000 0.000 3/96000 730.0 3.613 3.613 4.925 0.000 -0.000 0.000 3/96000 740.0 3.595 3.595 4.877 0.000 -0.000 0.000 3/96000 750.0 3.577 3.577 4.830 0.000 -0.000 0.000 3/96000 760.0 3.559 3.559 4.784 0.000 -0.000 0.000 3/96000 770.0 3.542 3.542 4.739 0.000 -0.000 0.000 3/96000 780.0 3.524 3.524 4.695 0.000 -0.000 0.000 3/96000 790.0 3.507 3.507 4.652 0.000 -0.000 0.000 3/96000 800.0 3.490 3.490 4.610 0.000 -0.000 0.000 3/96000 810.0 3.473 3.473 4.569 0.000 -0.000 0.000 3/96000 820.0 3.456 3.456 4.529 0.000 -0.000 0.000 3/96000 830.0 3.440 3.440 4.490 0.000 -0.000 0.000 3/96000 840.0 3.423 3.423 4.451 0.000 -0.000 0.000 3/96000 850.0 3.407 3.407 4.413 0.000 -0.000 0.000 3/96000 860.0 3.391 3.391 4.376 0.000 -0.000 0.000 3/96000 870.0 3.375 3.375 4.339 0.000 -0.000 0.000 3/96000 880.0 3.359 3.359 4.303 0.000 -0.000 0.000 3/96000 890.0 3.343 3.343 4.268 0.000 -0.000 0.000 3/96000 900.0 3.327 3.327 4.234 0.000 -0.000 0.000 3/96000 910.0 3.312 3.312 4.200 0.000 -0.000 0.000 3/96000 920.0 3.296 3.296 4.166 0.000 -0.000 0.000 3/96000 930.0 3.281 3.281 4.133 0.000 -0.000 0.000 3/96000 940.0 3.265 3.265 4.101 0.000 -0.000 0.000 3/96000 950.0 3.250 3.250 4.069 0.000 -0.000 0.000 3/96000 960.0 3.235 3.235 4.038 0.000 -0.000 0.000 3/96000 970.0 3.220 3.220 4.007 0.000 -0.000 0.000 3/96000 980.0 3.205 3.205 3.976 0.000 -0.000 0.000 3/96000 990.0 3.190 3.190 3.947 0.000 -0.000 0.000 3/96000 1000.0 3.176 3.176 3.917 0.000 -0.000 0.000 3/96000Thermal conductivity related properties were written into "kappa-m202020.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 05:50:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|