# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/e13f1e75-7a61-4fda-b000-2087365a3dbf/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 Rb2PtF6 / P-3m1 (164) / materials id 8192](https://mdr.nims.go.jp/datasets/cd8ce370-6969-4e26-b3db-390577893846) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-07 22:45:49]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [2 2 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P-3m1 (164)Number of symmetry operations in supercell: 144------------------------------ primitive cell ------------------------------Lattice vectors: a 5.966666197790785 0.000000000000000 0.000000000000000 b -2.983333098895392 5.167284503188725 0.000000000000000 c 0.000000000000000 0.000000000000000 4.814914530000000Atomic positions (fractional): *1 F 0.84107157796978 0.68214315593955 0.21956433152183 18.998 2 F 0.84107157796978 0.15892842203022 0.21956433152183 18.998 3 F 0.31785684406045 0.15892842203022 0.21956433152183 18.998 4 F 0.15892842203022 0.31785684406045 0.78043566847817 18.998 5 F 0.15892842203022 0.84107157796978 0.78043566847817 18.998 6 F 0.68214315593955 0.84107157796978 0.78043566847817 18.998 *7 Rb 0.33333333333333 0.66666666666667 0.28622053497178 85.468 8 Rb 0.66666666666667 0.33333333333333 0.71377946502822 85.468 *9 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084-------------------------------- unit cell ---------------------------------Lattice vectors: a 5.966666197790785 0.000000000000000 0.000000000000000 b -2.983333098895392 5.167284503188725 0.000000000000000 c 0.000000000000000 0.000000000000000 4.814914530000000Atomic positions (fractional): *1 F 0.84107157796978 0.68214315593955 0.21956433152183 18.998 > 1 2 F 0.84107157796978 0.15892842203022 0.21956433152183 18.998 > 2 3 F 0.31785684406045 0.15892842203022 0.21956433152183 18.998 > 3 4 F 0.15892842203022 0.31785684406045 0.78043566847817 18.998 > 4 5 F 0.15892842203022 0.84107157796978 0.78043566847817 18.998 > 5 6 F 0.68214315593955 0.84107157796978 0.78043566847817 18.998 > 6 *7 Rb 0.33333333333333 0.66666666666667 0.28622053497178 85.468 > 7 8 Rb 0.66666666666667 0.33333333333333 0.71377946502822 85.468 > 8 *9 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 > 9-------------------------------- super cell --------------------------------Lattice vectors: a 11.933332395581569 0.000000000000000 0.000000000000000 b -5.966666197790784 10.334569006377450 0.000000000000000 c 0.000000000000000 0.000000000000000 14.444743590000002Atomic positions (fractional): *1 F 0.42053578898489 0.34107157796978 0.07318811050728 18.998 > 1 2 F 0.92053578898489 0.34107157796978 0.07318811050728 18.998 > 1 3 F 0.42053578898489 0.84107157796978 0.07318811050728 18.998 > 1 4 F 0.92053578898489 0.84107157796978 0.07318811050728 18.998 > 1 5 F 0.42053578898489 0.34107157796978 0.40652144384061 18.998 > 1 6 F 0.92053578898489 0.34107157796978 0.40652144384061 18.998 > 1 7 F 0.42053578898489 0.84107157796978 0.40652144384061 18.998 > 1 8 F 0.92053578898489 0.84107157796978 0.40652144384061 18.998 > 1 9 F 0.42053578898489 0.34107157796978 0.73985477717394 18.998 > 1 10 F 0.92053578898489 0.34107157796978 0.73985477717394 18.998 > 1 11 F 0.42053578898489 0.84107157796978 0.73985477717394 18.998 > 1 12 F 0.92053578898489 0.84107157796978 0.73985477717394 18.998 > 1 13 F 0.42053578898489 0.07946421101511 0.07318811050728 18.998 > 2 14 F 0.92053578898489 0.07946421101511 0.07318811050728 18.998 > 2 15 F 0.42053578898489 0.57946421101511 0.07318811050728 18.998 > 2 16 F 0.92053578898489 0.57946421101511 0.07318811050728 18.998 > 2 17 F 0.42053578898489 0.07946421101511 0.40652144384061 18.998 > 2 18 F 0.92053578898489 0.07946421101511 0.40652144384061 18.998 > 2 19 F 0.42053578898489 0.57946421101511 0.40652144384061 18.998 > 2 20 F 0.92053578898489 0.57946421101511 0.40652144384061 18.998 > 2 21 F 0.42053578898489 0.07946421101511 0.73985477717394 18.998 > 2 22 F 0.92053578898489 0.07946421101511 0.73985477717394 18.998 > 2 23 F 0.42053578898489 0.57946421101511 0.73985477717394 18.998 > 2 24 F 0.92053578898489 0.57946421101511 0.73985477717394 18.998 > 2 25 F 0.15892842203022 0.07946421101511 0.07318811050728 18.998 > 3 26 F 0.65892842203022 0.07946421101511 0.07318811050728 18.998 > 3 27 F 0.15892842203022 0.57946421101511 0.07318811050728 18.998 > 3 28 F 0.65892842203022 0.57946421101511 0.07318811050728 18.998 > 3 29 F 0.15892842203022 0.07946421101511 0.40652144384061 18.998 > 3 30 F 0.65892842203022 0.07946421101511 0.40652144384061 18.998 > 3 31 F 0.15892842203022 0.57946421101511 0.40652144384061 18.998 > 3 32 F 0.65892842203022 0.57946421101511 0.40652144384061 18.998 > 3 33 F 0.15892842203022 0.07946421101511 0.73985477717394 18.998 > 3 34 F 0.65892842203022 0.07946421101511 0.73985477717394 18.998 > 3 35 F 0.15892842203022 0.57946421101511 0.73985477717394 18.998 > 3 36 F 0.65892842203022 0.57946421101511 0.73985477717394 18.998 > 3 37 F 0.07946421101511 0.15892842203022 0.26014522282606 18.998 > 4 38 F 0.57946421101511 0.15892842203022 0.26014522282606 18.998 > 4 39 F 0.07946421101511 0.65892842203022 0.26014522282606 18.998 > 4 40 F 0.57946421101511 0.65892842203022 0.26014522282606 18.998 > 4 41 F 0.07946421101511 0.15892842203022 0.59347855615939 18.998 > 4 42 F 0.57946421101511 0.15892842203022 0.59347855615939 18.998 > 4 43 F 0.07946421101511 0.65892842203022 0.59347855615939 18.998 > 4 44 F 0.57946421101511 0.65892842203022 0.59347855615939 18.998 > 4 45 F 0.07946421101511 0.15892842203022 0.92681188949272 18.998 > 4 46 F 0.57946421101511 0.15892842203022 0.92681188949272 18.998 > 4 47 F 0.07946421101511 0.65892842203022 0.92681188949272 18.998 > 4 48 F 0.57946421101511 0.65892842203022 0.92681188949272 18.998 > 4 49 F 0.07946421101511 0.42053578898489 0.26014522282606 18.998 > 5 50 F 0.57946421101511 0.42053578898489 0.26014522282606 18.998 > 5 51 F 0.07946421101511 0.92053578898489 0.26014522282606 18.998 > 5 52 F 0.57946421101511 0.92053578898489 0.26014522282606 18.998 > 5 53 F 0.07946421101511 0.42053578898489 0.59347855615939 18.998 > 5 54 F 0.57946421101511 0.42053578898489 0.59347855615939 18.998 > 5 55 F 0.07946421101511 0.92053578898489 0.59347855615939 18.998 > 5 56 F 0.57946421101511 0.92053578898489 0.59347855615939 18.998 > 5 57 F 0.07946421101511 0.42053578898489 0.92681188949272 18.998 > 5 58 F 0.57946421101511 0.42053578898489 0.92681188949272 18.998 > 5 59 F 0.07946421101511 0.92053578898489 0.92681188949272 18.998 > 5 60 F 0.57946421101511 0.92053578898489 0.92681188949272 18.998 > 5 61 F 0.34107157796978 0.42053578898489 0.26014522282606 18.998 > 6 62 F 0.84107157796978 0.42053578898489 0.26014522282606 18.998 > 6 63 F 0.34107157796978 0.92053578898489 0.26014522282606 18.998 > 6 64 F 0.84107157796978 0.92053578898489 0.26014522282606 18.998 > 6 65 F 0.34107157796978 0.42053578898489 0.59347855615939 18.998 > 6 66 F 0.84107157796978 0.42053578898489 0.59347855615939 18.998 > 6 67 F 0.34107157796978 0.92053578898489 0.59347855615939 18.998 > 6 68 F 0.84107157796978 0.92053578898489 0.59347855615939 18.998 > 6 69 F 0.34107157796978 0.42053578898489 0.92681188949272 18.998 > 6 70 F 0.84107157796978 0.42053578898489 0.92681188949272 18.998 > 6 71 F 0.34107157796978 0.92053578898489 0.92681188949272 18.998 > 6 72 F 0.84107157796978 0.92053578898489 0.92681188949272 18.998 > 6 *73 Rb 0.16666666666667 0.33333333333333 0.09540684499059 85.468 > 7 74 Rb 0.66666666666667 0.33333333333333 0.09540684499059 85.468 > 7 75 Rb 0.16666666666667 0.83333333333333 0.09540684499059 85.468 > 7 76 Rb 0.66666666666667 0.83333333333333 0.09540684499059 85.468 > 7 77 Rb 0.16666666666667 0.33333333333333 0.42874017832393 85.468 > 7 78 Rb 0.66666666666667 0.33333333333333 0.42874017832393 85.468 > 7 79 Rb 0.16666666666667 0.83333333333333 0.42874017832393 85.468 > 7 80 Rb 0.66666666666667 0.83333333333333 0.42874017832393 85.468 > 7 81 Rb 0.16666666666667 0.33333333333333 0.76207351165726 85.468 > 7 82 Rb 0.66666666666667 0.33333333333333 0.76207351165726 85.468 > 7 83 Rb 0.16666666666667 0.83333333333333 0.76207351165726 85.468 > 7 84 Rb 0.66666666666667 0.83333333333333 0.76207351165726 85.468 > 7 85 Rb 0.33333333333333 0.16666666666667 0.23792648834274 85.468 > 8 86 Rb 0.83333333333333 0.16666666666667 0.23792648834274 85.468 > 8 87 Rb 0.33333333333333 0.66666666666667 0.23792648834274 85.468 > 8 88 Rb 0.83333333333333 0.66666666666667 0.23792648834274 85.468 > 8 89 Rb 0.33333333333333 0.16666666666667 0.57125982167607 85.468 > 8 90 Rb 0.83333333333333 0.16666666666667 0.57125982167607 85.468 > 8 91 Rb 0.33333333333333 0.66666666666667 0.57125982167607 85.468 > 8 92 Rb 0.83333333333333 0.66666666666667 0.57125982167607 85.468 > 8 93 Rb 0.33333333333333 0.16666666666667 0.90459315500941 85.468 > 8 94 Rb 0.83333333333333 0.16666666666667 0.90459315500941 85.468 > 8 95 Rb 0.33333333333333 0.66666666666667 0.90459315500941 85.468 > 8 96 Rb 0.83333333333333 0.66666666666667 0.90459315500941 85.468 > 8 *97 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 > 9 98 Pt 0.50000000000000 0.00000000000000 0.00000000000000 195.084 > 9 99 Pt 0.00000000000000 0.50000000000000 0.00000000000000 195.084 > 9 100 Pt 0.50000000000000 0.50000000000000 0.00000000000000 195.084 > 9 101 Pt 0.00000000000000 0.00000000000000 0.33333333333333 195.084 > 9 102 Pt 0.50000000000000 0.00000000000000 0.33333333333333 195.084 > 9 103 Pt 0.00000000000000 0.50000000000000 0.33333333333333 195.084 > 9 104 Pt 0.50000000000000 0.50000000000000 0.33333333333333 195.084 > 9 105 Pt 0.00000000000000 0.00000000000000 0.66666666666667 195.084 > 9 106 Pt 0.50000000000000 0.00000000000000 0.66666666666667 195.084 > 9 107 Pt 0.00000000000000 0.50000000000000 0.66666666666667 195.084 > 9 108 Pt 0.50000000000000 0.50000000000000 0.66666666666667 195.084 > 9----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 2.4974368 -0.0000000 0.0000000 0.0000000 2.4974368 0.0000000 0.0000000 0.0000000 2.3677267-------------------------- Born effective charges -------------------------- 1 F -0.5451193 0.0000000 -0.0000000 0.0000000 -1.2575308 0.4989800 0.0000000 0.4809965 -0.8016774 2 F -1.0794279 0.3084832 0.4321294 0.3084832 -0.7232222 -0.2494900 0.4165552 -0.2404983 -0.8016774 3 F -1.0794279 -0.3084832 -0.4321294 -0.3084832 -0.7232222 -0.2494900 -0.4165552 -0.2404983 -0.8016774 4 F -0.5451193 0.0000000 -0.0000000 0.0000000 -1.2575308 0.4989800 0.0000000 0.4809965 -0.8016774 5 F -1.0794279 0.3084832 0.4321294 0.3084832 -0.7232222 -0.2494900 0.4165552 -0.2404983 -0.8016774 6 F -1.0794279 -0.3084832 -0.4321294 -0.3084832 -0.7232222 -0.2494900 -0.4165552 -0.2404983 -0.8016774 7 Rb 1.3528274 -0.0000000 -0.0000000 0.0000000 1.3528274 -0.0000000 0.0000000 0.0000000 1.2497492 8 Rb 1.3528274 -0.0000000 -0.0000000 0.0000000 1.3528274 -0.0000000 0.0000000 0.0000000 1.2497492 9 Pt 2.7022956 -0.0000000 -0.0000000 0.0000000 2.7022956 -0.0000000 0.0000000 0.0000000 2.3105659----------------------------------------------------------------------------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: 4806/4806Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 430Number of blocks in projector: 266Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 194Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 158Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 78Use standard eigh solver.Tree of FC basis block matrices:- (430, 421), data: False|-- (78, 75), data: True|-- (158, 156), data: True|-- (194, 190), data: True-----Solver_atoms: 1 -- 108 / 108Time (Solver_compr_matrix_reshape): 0.010Solver_block: 100 / 160 - Time: 0.308Solver_block: 160 / 160 - Time: 0.223Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.545--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 324/324Permutation basis: 4806/4806Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 430Number of blocks in projector: 266Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 194Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 158Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 78Use standard eigh solver.Tree of FC basis block matrices:- (430, 421), data: False|-- (78, 75), data: True|-- (158, 156), data: True|-- (194, 190), data: TrueMax drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-07 22:45:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 22:45:57]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [2 2 3]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P-3m1 (164)------------------------------ primitive cell ------------------------------Lattice vectors: a 5.966666197790785 0.000000000000000 0.000000000000000 b -2.983333098895392 5.167284503188725 0.000000000000000 c 0.000000000000000 0.000000000000000 4.814914530000000Atomic positions (fractional): 1 F 0.84107157796978 0.68214315593955 0.21956433152183 18.998 2 F 0.84107157796978 0.15892842203022 0.21956433152183 18.998 3 F 0.31785684406045 0.15892842203022 0.21956433152183 18.998 4 F 0.15892842203022 0.31785684406045 0.78043566847817 18.998 5 F 0.15892842203022 0.84107157796978 0.78043566847817 18.998 6 F 0.68214315593955 0.84107157796978 0.78043566847817 18.998 7 Rb 0.33333333333333 0.66666666666667 0.28622053497178 85.468 8 Rb 0.66666666666667 0.33333333333333 0.71377946502822 85.468 9 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084-------------------------------- supercell ---------------------------------Lattice vectors: a 11.933332395581569 0.000000000000000 0.000000000000000 b -5.966666197790784 10.334569006377450 0.000000000000000 c 0.000000000000000 0.000000000000000 14.444743590000002Atomic positions (fractional): 1 F 0.42053578898489 0.34107157796978 0.07318811050728 18.998 > 1 2 F 0.92053578898489 0.34107157796978 0.07318811050728 18.998 > 1 3 F 0.42053578898489 0.84107157796978 0.07318811050728 18.998 > 1 4 F 0.92053578898489 0.84107157796978 0.07318811050728 18.998 > 1 5 F 0.42053578898489 0.34107157796978 0.40652144384061 18.998 > 1 6 F 0.92053578898489 0.34107157796978 0.40652144384061 18.998 > 1 7 F 0.42053578898489 0.84107157796978 0.40652144384061 18.998 > 1 8 F 0.92053578898489 0.84107157796978 0.40652144384061 18.998 > 1 9 F 0.42053578898489 0.34107157796978 0.73985477717394 18.998 > 1 10 F 0.92053578898489 0.34107157796978 0.73985477717394 18.998 > 1 11 F 0.42053578898489 0.84107157796978 0.73985477717394 18.998 > 1 12 F 0.92053578898489 0.84107157796978 0.73985477717394 18.998 > 1 13 F 0.42053578898489 0.07946421101511 0.07318811050728 18.998 > 13 14 F 0.92053578898489 0.07946421101511 0.07318811050728 18.998 > 13 15 F 0.42053578898489 0.57946421101511 0.07318811050728 18.998 > 13 16 F 0.92053578898489 0.57946421101511 0.07318811050728 18.998 > 13 17 F 0.42053578898489 0.07946421101511 0.40652144384061 18.998 > 13 18 F 0.92053578898489 0.07946421101511 0.40652144384061 18.998 > 13 19 F 0.42053578898489 0.57946421101511 0.40652144384061 18.998 > 13 20 F 0.92053578898489 0.57946421101511 0.40652144384061 18.998 > 13 21 F 0.42053578898489 0.07946421101511 0.73985477717394 18.998 > 13 22 F 0.92053578898489 0.07946421101511 0.73985477717394 18.998 > 13 23 F 0.42053578898489 0.57946421101511 0.73985477717394 18.998 > 13 24 F 0.92053578898489 0.57946421101511 0.73985477717394 18.998 > 13 25 F 0.15892842203022 0.07946421101511 0.07318811050728 18.998 > 25 26 F 0.65892842203022 0.07946421101511 0.07318811050728 18.998 > 25 27 F 0.15892842203022 0.57946421101511 0.07318811050728 18.998 > 25 28 F 0.65892842203022 0.57946421101511 0.07318811050728 18.998 > 25 29 F 0.15892842203022 0.07946421101511 0.40652144384061 18.998 > 25 30 F 0.65892842203022 0.07946421101511 0.40652144384061 18.998 > 25 31 F 0.15892842203022 0.57946421101511 0.40652144384061 18.998 > 25 32 F 0.65892842203022 0.57946421101511 0.40652144384061 18.998 > 25 33 F 0.15892842203022 0.07946421101511 0.73985477717394 18.998 > 25 34 F 0.65892842203022 0.07946421101511 0.73985477717394 18.998 > 25 35 F 0.15892842203022 0.57946421101511 0.73985477717394 18.998 > 25 36 F 0.65892842203022 0.57946421101511 0.73985477717394 18.998 > 25 37 F 0.07946421101511 0.15892842203022 0.26014522282606 18.998 > 37 38 F 0.57946421101511 0.15892842203022 0.26014522282606 18.998 > 37 39 F 0.07946421101511 0.65892842203022 0.26014522282606 18.998 > 37 40 F 0.57946421101511 0.65892842203022 0.26014522282606 18.998 > 37 41 F 0.07946421101511 0.15892842203022 0.59347855615939 18.998 > 37 42 F 0.57946421101511 0.15892842203022 0.59347855615939 18.998 > 37 43 F 0.07946421101511 0.65892842203022 0.59347855615939 18.998 > 37 44 F 0.57946421101511 0.65892842203022 0.59347855615939 18.998 > 37 45 F 0.07946421101511 0.15892842203022 0.92681188949272 18.998 > 37 46 F 0.57946421101511 0.15892842203022 0.92681188949272 18.998 > 37 47 F 0.07946421101511 0.65892842203022 0.92681188949272 18.998 > 37 48 F 0.57946421101511 0.65892842203022 0.92681188949272 18.998 > 37 49 F 0.07946421101511 0.42053578898489 0.26014522282606 18.998 > 49 50 F 0.57946421101511 0.42053578898489 0.26014522282606 18.998 > 49 51 F 0.07946421101511 0.92053578898489 0.26014522282606 18.998 > 49 52 F 0.57946421101511 0.92053578898489 0.26014522282606 18.998 > 49 53 F 0.07946421101511 0.42053578898489 0.59347855615939 18.998 > 49 54 F 0.57946421101511 0.42053578898489 0.59347855615939 18.998 > 49 55 F 0.07946421101511 0.92053578898489 0.59347855615939 18.998 > 49 56 F 0.57946421101511 0.92053578898489 0.59347855615939 18.998 > 49 57 F 0.07946421101511 0.42053578898489 0.92681188949272 18.998 > 49 58 F 0.57946421101511 0.42053578898489 0.92681188949272 18.998 > 49 59 F 0.07946421101511 0.92053578898489 0.92681188949272 18.998 > 49 60 F 0.57946421101511 0.92053578898489 0.92681188949272 18.998 > 49 61 F 0.34107157796978 0.42053578898489 0.26014522282606 18.998 > 61 62 F 0.84107157796978 0.42053578898489 0.26014522282606 18.998 > 61 63 F 0.34107157796978 0.92053578898489 0.26014522282606 18.998 > 61 64 F 0.84107157796978 0.92053578898489 0.26014522282606 18.998 > 61 65 F 0.34107157796978 0.42053578898489 0.59347855615939 18.998 > 61 66 F 0.84107157796978 0.42053578898489 0.59347855615939 18.998 > 61 67 F 0.34107157796978 0.92053578898489 0.59347855615939 18.998 > 61 68 F 0.84107157796978 0.92053578898489 0.59347855615939 18.998 > 61 69 F 0.34107157796978 0.42053578898489 0.92681188949272 18.998 > 61 70 F 0.84107157796978 0.42053578898489 0.92681188949272 18.998 > 61 71 F 0.34107157796978 0.92053578898489 0.92681188949272 18.998 > 61 72 F 0.84107157796978 0.92053578898489 0.92681188949272 18.998 > 61 73 Rb 0.16666666666667 0.33333333333333 0.09540684499059 85.468 > 73 74 Rb 0.66666666666667 0.33333333333333 0.09540684499059 85.468 > 73 75 Rb 0.16666666666667 0.83333333333333 0.09540684499059 85.468 > 73 76 Rb 0.66666666666667 0.83333333333333 0.09540684499059 85.468 > 73 77 Rb 0.16666666666667 0.33333333333333 0.42874017832393 85.468 > 73 78 Rb 0.66666666666667 0.33333333333333 0.42874017832393 85.468 > 73 79 Rb 0.16666666666667 0.83333333333333 0.42874017832393 85.468 > 73 80 Rb 0.66666666666667 0.83333333333333 0.42874017832393 85.468 > 73 81 Rb 0.16666666666667 0.33333333333333 0.76207351165726 85.468 > 73 82 Rb 0.66666666666667 0.33333333333333 0.76207351165726 85.468 > 73 83 Rb 0.16666666666667 0.83333333333333 0.76207351165726 85.468 > 73 84 Rb 0.66666666666667 0.83333333333333 0.76207351165726 85.468 > 73 85 Rb 0.33333333333333 0.16666666666667 0.23792648834274 85.468 > 85 86 Rb 0.83333333333333 0.16666666666667 0.23792648834274 85.468 > 85 87 Rb 0.33333333333333 0.66666666666667 0.23792648834274 85.468 > 85 88 Rb 0.83333333333333 0.66666666666667 0.23792648834274 85.468 > 85 89 Rb 0.33333333333333 0.16666666666667 0.57125982167607 85.468 > 85 90 Rb 0.83333333333333 0.16666666666667 0.57125982167607 85.468 > 85 91 Rb 0.33333333333333 0.66666666666667 0.57125982167607 85.468 > 85 92 Rb 0.83333333333333 0.66666666666667 0.57125982167607 85.468 > 85 93 Rb 0.33333333333333 0.16666666666667 0.90459315500941 85.468 > 85 94 Rb 0.83333333333333 0.16666666666667 0.90459315500941 85.468 > 85 95 Rb 0.33333333333333 0.66666666666667 0.90459315500941 85.468 > 85 96 Rb 0.83333333333333 0.66666666666667 0.90459315500941 85.468 > 85 97 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 > 97 98 Pt 0.50000000000000 0.00000000000000 0.00000000000000 195.084 > 97 99 Pt 0.00000000000000 0.50000000000000 0.00000000000000 195.084 > 97 100 Pt 0.50000000000000 0.50000000000000 0.00000000000000 195.084 > 97 101 Pt 0.00000000000000 0.00000000000000 0.33333333333333 195.084 > 97 102 Pt 0.50000000000000 0.00000000000000 0.33333333333333 195.084 > 97 103 Pt 0.00000000000000 0.50000000000000 0.33333333333333 195.084 > 97 104 Pt 0.50000000000000 0.50000000000000 0.33333333333333 195.084 > 97 105 Pt 0.00000000000000 0.00000000000000 0.66666666666667 195.084 > 97 106 Pt 0.50000000000000 0.00000000000000 0.66666666666667 195.084 > 97 107 Pt 0.00000000000000 0.50000000000000 0.66666666666667 195.084 > 97 108 Pt 0.50000000000000 0.50000000000000 0.66666666666667 195.084 > 97----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 2.4974368 -0.0000000 0.0000000 0.0000000 2.4974368 0.0000000 0.0000000 0.0000000 2.3677267-------------------------- Born effective charges -------------------------- 1 F -0.5451193 0.0000000 -0.0000000 0.0000000 -1.2575308 0.4989800 0.0000000 0.4809965 -0.8016774 2 F -1.0794279 0.3084832 0.4321294 0.3084832 -0.7232222 -0.2494900 0.4165552 -0.2404983 -0.8016774 3 F -1.0794279 -0.3084832 -0.4321294 -0.3084832 -0.7232222 -0.2494900 -0.4165552 -0.2404983 -0.8016774 4 F -0.5451193 0.0000000 -0.0000000 0.0000000 -1.2575308 0.4989800 0.0000000 0.4809965 -0.8016774 5 F -1.0794279 0.3084832 0.4321294 0.3084832 -0.7232222 -0.2494900 0.4165552 -0.2404983 -0.8016774 6 F -1.0794279 -0.3084832 -0.4321294 -0.3084832 -0.7232222 -0.2494900 -0.4165552 -0.2404983 -0.8016774 7 Rb 1.3528274 -0.0000000 -0.0000000 0.0000000 1.3528274 -0.0000000 0.0000000 0.0000000 1.2497492 8 Rb 1.3528274 -0.0000000 -0.0000000 0.0000000 1.3528274 -0.0000000 0.0000000 0.0000000 1.2497492 9 Pt 2.7022956 -0.0000000 -0.0000000 0.0000000 2.7022956 -0.0000000 0.0000000 0.0000000 2.3105659----------------------------------------------------------------------------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): [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 73, 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[ 97, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: -0.00000001 (yxx) -0.00000001 (yxx) -0.00000001 (yxx)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000000 (zy) 0.00000000 (zy) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 22:46:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 22:46:03]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [2 2 3]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P-3m1 (164)------------------------------ primitive cell ------------------------------Lattice vectors: a 5.966666197790785 0.000000000000000 0.000000000000000 b -2.983333098895392 5.167284503188725 0.000000000000000 c 0.000000000000000 0.000000000000000 4.814914530000000Atomic positions (fractional): 1 F 0.84107157796978 0.68214315593955 0.21956433152183 18.998 2 F 0.84107157796978 0.15892842203022 0.21956433152183 18.998 3 F 0.31785684406045 0.15892842203022 0.21956433152183 18.998 4 F 0.15892842203022 0.31785684406045 0.78043566847817 18.998 5 F 0.15892842203022 0.84107157796978 0.78043566847817 18.998 6 F 0.68214315593955 0.84107157796978 0.78043566847817 18.998 7 Rb 0.33333333333333 0.66666666666667 0.28622053497178 85.468 8 Rb 0.66666666666667 0.33333333333333 0.71377946502822 85.468 9 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084-------------------------------- supercell ---------------------------------Lattice vectors: a 11.933332395581569 0.000000000000000 0.000000000000000 b -5.966666197790784 10.334569006377450 0.000000000000000 c 0.000000000000000 0.000000000000000 14.444743590000002Atomic positions (fractional): 1 F 0.42053578898489 0.34107157796978 0.07318811050728 18.998 > 1 2 F 0.92053578898489 0.34107157796978 0.07318811050728 18.998 > 1 3 F 0.42053578898489 0.84107157796978 0.07318811050728 18.998 > 1 4 F 0.92053578898489 0.84107157796978 0.07318811050728 18.998 > 1 5 F 0.42053578898489 0.34107157796978 0.40652144384061 18.998 > 1 6 F 0.92053578898489 0.34107157796978 0.40652144384061 18.998 > 1 7 F 0.42053578898489 0.84107157796978 0.40652144384061 18.998 > 1 8 F 0.92053578898489 0.84107157796978 0.40652144384061 18.998 > 1 9 F 0.42053578898489 0.34107157796978 0.73985477717394 18.998 > 1 10 F 0.92053578898489 0.34107157796978 0.73985477717394 18.998 > 1 11 F 0.42053578898489 0.84107157796978 0.73985477717394 18.998 > 1 12 F 0.92053578898489 0.84107157796978 0.73985477717394 18.998 > 1 13 F 0.42053578898489 0.07946421101511 0.07318811050728 18.998 > 13 14 F 0.92053578898489 0.07946421101511 0.07318811050728 18.998 > 13 15 F 0.42053578898489 0.57946421101511 0.07318811050728 18.998 > 13 16 F 0.92053578898489 0.57946421101511 0.07318811050728 18.998 > 13 17 F 0.42053578898489 0.07946421101511 0.40652144384061 18.998 > 13 18 F 0.92053578898489 0.07946421101511 0.40652144384061 18.998 > 13 19 F 0.42053578898489 0.57946421101511 0.40652144384061 18.998 > 13 20 F 0.92053578898489 0.57946421101511 0.40652144384061 18.998 > 13 21 F 0.42053578898489 0.07946421101511 0.73985477717394 18.998 > 13 22 F 0.92053578898489 0.07946421101511 0.73985477717394 18.998 > 13 23 F 0.42053578898489 0.57946421101511 0.73985477717394 18.998 > 13 24 F 0.92053578898489 0.57946421101511 0.73985477717394 18.998 > 13 25 F 0.15892842203022 0.07946421101511 0.07318811050728 18.998 > 25 26 F 0.65892842203022 0.07946421101511 0.07318811050728 18.998 > 25 27 F 0.15892842203022 0.57946421101511 0.07318811050728 18.998 > 25 28 F 0.65892842203022 0.57946421101511 0.07318811050728 18.998 > 25 29 F 0.15892842203022 0.07946421101511 0.40652144384061 18.998 > 25 30 F 0.65892842203022 0.07946421101511 0.40652144384061 18.998 > 25 31 F 0.15892842203022 0.57946421101511 0.40652144384061 18.998 > 25 32 F 0.65892842203022 0.57946421101511 0.40652144384061 18.998 > 25 33 F 0.15892842203022 0.07946421101511 0.73985477717394 18.998 > 25 34 F 0.65892842203022 0.07946421101511 0.73985477717394 18.998 > 25 35 F 0.15892842203022 0.57946421101511 0.73985477717394 18.998 > 25 36 F 0.65892842203022 0.57946421101511 0.73985477717394 18.998 > 25 37 F 0.07946421101511 0.15892842203022 0.26014522282606 18.998 > 37 38 F 0.57946421101511 0.15892842203022 0.26014522282606 18.998 > 37 39 F 0.07946421101511 0.65892842203022 0.26014522282606 18.998 > 37 40 F 0.57946421101511 0.65892842203022 0.26014522282606 18.998 > 37 41 F 0.07946421101511 0.15892842203022 0.59347855615939 18.998 > 37 42 F 0.57946421101511 0.15892842203022 0.59347855615939 18.998 > 37 43 F 0.07946421101511 0.65892842203022 0.59347855615939 18.998 > 37 44 F 0.57946421101511 0.65892842203022 0.59347855615939 18.998 > 37 45 F 0.07946421101511 0.15892842203022 0.92681188949272 18.998 > 37 46 F 0.57946421101511 0.15892842203022 0.92681188949272 18.998 > 37 47 F 0.07946421101511 0.65892842203022 0.92681188949272 18.998 > 37 48 F 0.57946421101511 0.65892842203022 0.92681188949272 18.998 > 37 49 F 0.07946421101511 0.42053578898489 0.26014522282606 18.998 > 49 50 F 0.57946421101511 0.42053578898489 0.26014522282606 18.998 > 49 51 F 0.07946421101511 0.92053578898489 0.26014522282606 18.998 > 49 52 F 0.57946421101511 0.92053578898489 0.26014522282606 18.998 > 49 53 F 0.07946421101511 0.42053578898489 0.59347855615939 18.998 > 49 54 F 0.57946421101511 0.42053578898489 0.59347855615939 18.998 > 49 55 F 0.07946421101511 0.92053578898489 0.59347855615939 18.998 > 49 56 F 0.57946421101511 0.92053578898489 0.59347855615939 18.998 > 49 57 F 0.07946421101511 0.42053578898489 0.92681188949272 18.998 > 49 58 F 0.57946421101511 0.42053578898489 0.92681188949272 18.998 > 49 59 F 0.07946421101511 0.92053578898489 0.92681188949272 18.998 > 49 60 F 0.57946421101511 0.92053578898489 0.92681188949272 18.998 > 49 61 F 0.34107157796978 0.42053578898489 0.26014522282606 18.998 > 61 62 F 0.84107157796978 0.42053578898489 0.26014522282606 18.998 > 61 63 F 0.34107157796978 0.92053578898489 0.26014522282606 18.998 > 61 64 F 0.84107157796978 0.92053578898489 0.26014522282606 18.998 > 61 65 F 0.34107157796978 0.42053578898489 0.59347855615939 18.998 > 61 66 F 0.84107157796978 0.42053578898489 0.59347855615939 18.998 > 61 67 F 0.34107157796978 0.92053578898489 0.59347855615939 18.998 > 61 68 F 0.84107157796978 0.92053578898489 0.59347855615939 18.998 > 61 69 F 0.34107157796978 0.42053578898489 0.92681188949272 18.998 > 61 70 F 0.84107157796978 0.42053578898489 0.92681188949272 18.998 > 61 71 F 0.34107157796978 0.92053578898489 0.92681188949272 18.998 > 61 72 F 0.84107157796978 0.92053578898489 0.92681188949272 18.998 > 61 73 Rb 0.16666666666667 0.33333333333333 0.09540684499059 85.468 > 73 74 Rb 0.66666666666667 0.33333333333333 0.09540684499059 85.468 > 73 75 Rb 0.16666666666667 0.83333333333333 0.09540684499059 85.468 > 73 76 Rb 0.66666666666667 0.83333333333333 0.09540684499059 85.468 > 73 77 Rb 0.16666666666667 0.33333333333333 0.42874017832393 85.468 > 73 78 Rb 0.66666666666667 0.33333333333333 0.42874017832393 85.468 > 73 79 Rb 0.16666666666667 0.83333333333333 0.42874017832393 85.468 > 73 80 Rb 0.66666666666667 0.83333333333333 0.42874017832393 85.468 > 73 81 Rb 0.16666666666667 0.33333333333333 0.76207351165726 85.468 > 73 82 Rb 0.66666666666667 0.33333333333333 0.76207351165726 85.468 > 73 83 Rb 0.16666666666667 0.83333333333333 0.76207351165726 85.468 > 73 84 Rb 0.66666666666667 0.83333333333333 0.76207351165726 85.468 > 73 85 Rb 0.33333333333333 0.16666666666667 0.23792648834274 85.468 > 85 86 Rb 0.83333333333333 0.16666666666667 0.23792648834274 85.468 > 85 87 Rb 0.33333333333333 0.66666666666667 0.23792648834274 85.468 > 85 88 Rb 0.83333333333333 0.66666666666667 0.23792648834274 85.468 > 85 89 Rb 0.33333333333333 0.16666666666667 0.57125982167607 85.468 > 85 90 Rb 0.83333333333333 0.16666666666667 0.57125982167607 85.468 > 85 91 Rb 0.33333333333333 0.66666666666667 0.57125982167607 85.468 > 85 92 Rb 0.83333333333333 0.66666666666667 0.57125982167607 85.468 > 85 93 Rb 0.33333333333333 0.16666666666667 0.90459315500941 85.468 > 85 94 Rb 0.83333333333333 0.16666666666667 0.90459315500941 85.468 > 85 95 Rb 0.33333333333333 0.66666666666667 0.90459315500941 85.468 > 85 96 Rb 0.83333333333333 0.66666666666667 0.90459315500941 85.468 > 85 97 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 > 97 98 Pt 0.50000000000000 0.00000000000000 0.00000000000000 195.084 > 97 99 Pt 0.00000000000000 0.50000000000000 0.00000000000000 195.084 > 97 100 Pt 0.50000000000000 0.50000000000000 0.00000000000000 195.084 > 97 101 Pt 0.00000000000000 0.00000000000000 0.33333333333333 195.084 > 97 102 Pt 0.50000000000000 0.00000000000000 0.33333333333333 195.084 > 97 103 Pt 0.00000000000000 0.50000000000000 0.33333333333333 195.084 > 97 104 Pt 0.50000000000000 0.50000000000000 0.33333333333333 195.084 > 97 105 Pt 0.00000000000000 0.00000000000000 0.66666666666667 195.084 > 97 106 Pt 0.50000000000000 0.00000000000000 0.66666666666667 195.084 > 97 107 Pt 0.00000000000000 0.50000000000000 0.66666666666667 195.084 > 97 108 Pt 0.50000000000000 0.50000000000000 0.66666666666667 195.084 > 97----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 2.4974368 -0.0000000 0.0000000 0.0000000 2.4974368 0.0000000 0.0000000 0.0000000 2.3677267-------------------------- Born effective charges -------------------------- 1 F -0.5451193 0.0000000 -0.0000000 0.0000000 -1.2575308 0.4989800 0.0000000 0.4809965 -0.8016774 2 F -1.0794279 0.3084832 0.4321294 0.3084832 -0.7232222 -0.2494900 0.4165552 -0.2404983 -0.8016774 3 F -1.0794279 -0.3084832 -0.4321294 -0.3084832 -0.7232222 -0.2494900 -0.4165552 -0.2404983 -0.8016774 4 F -0.5451193 0.0000000 -0.0000000 0.0000000 -1.2575308 0.4989800 0.0000000 0.4809965 -0.8016774 5 F -1.0794279 0.3084832 0.4321294 0.3084832 -0.7232222 -0.2494900 0.4165552 -0.2404983 -0.8016774 6 F -1.0794279 -0.3084832 -0.4321294 -0.3084832 -0.7232222 -0.2494900 -0.4165552 -0.2404983 -0.8016774 7 Rb 1.3528274 -0.0000000 -0.0000000 0.0000000 1.3528274 -0.0000000 0.0000000 0.0000000 1.2497492 8 Rb 1.3528274 -0.0000000 -0.0000000 0.0000000 1.3528274 -0.0000000 0.0000000 0.0000000 1.2497492 9 Pt 2.7022956 -0.0000000 -0.0000000 0.0000000 2.7022956 -0.0000000 0.0000000 0.0000000 2.3105659----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000001 (yxx) -0.00000001 (yxx) -0.00000001 (yxx)Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 10 10 10 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.78, Number of G-points: 283, Lambda: 0.13Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/116) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 116Calculating 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 2.080 ( 0.000 0.000 0.000) 0.000 2.116 ( 0.000 0.000 0.000) 0.000 2.431 ( 0.000 0.000 0.000) 0.000 2.431 ( 0.000 0.000 0.000) 0.000 2.502 ( 0.000 0.000 0.000) 0.000 2.613 ( 0.000 0.000 0.000) 0.000 2.613 ( 0.000 0.000 0.000) 0.000 2.667 ( 0.000 0.000 0.000) 0.000 2.667 ( 0.000 0.000 0.000) 0.000 5.916 ( 0.000 0.000 0.000) 0.000 5.916 ( 0.000 0.000 0.000) 0.000 6.135 ( 0.000 0.000 0.000) 0.000 6.946 ( 0.000 0.000 0.000) 0.000 6.946 ( 0.000 0.000 0.000) 0.000 7.304 ( 0.000 0.000 0.000) 0.000 7.433 ( 0.000 0.000 0.000) 0.000 8.000 ( 0.000 0.000 0.000) 0.000 8.000 ( 0.000 0.000 0.000) 0.000 16.748 ( 0.000 0.000 0.000) 0.000 16.748 ( 0.000 0.000 0.000) 0.000 16.908 ( 0.000 0.000 0.000) 0.000 16.908 ( 0.000 0.000 0.000) 0.000 16.947 ( 0.000 0.000 0.000) 0.000 17.355 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/116) =======================q-point: ( 0.10 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.259 ( 11.609 6.703 1.251) 13.464 0.326 ( 14.539 8.394 2.753) 17.012 0.626 ( 27.421 15.832 -1.963) 31.724 2.036 ( -3.619 -2.089 -0.875) 4.269 2.105 ( -0.953 -0.550 -0.413) 1.175 2.365 ( -5.876 -3.392 -1.874) 7.039 2.444 ( 0.813 0.469 0.008) 0.938 2.484 ( 0.368 0.212 0.315) 0.529 2.638 ( 2.205 1.273 -0.638) 2.625 2.695 ( 2.519 1.455 1.660) 3.349 2.750 ( 5.383 3.108 1.523) 6.400 3.619 ( -2.962 -1.710 -0.372) 3.440 5.887 ( -2.473 -1.428 -0.123) 2.858 5.948 ( 2.778 1.604 -0.857) 3.320 6.126 ( -0.774 -0.447 0.004) 0.893 6.937 ( -0.769 -0.444 0.033) 0.888 6.963 ( 0.483 0.279 0.023) 0.558 7.286 ( -1.542 -0.890 -0.010) 1.780 7.454 ( 1.780 1.027 -0.000) 2.055 8.001 ( 0.092 0.053 -0.137) 0.173 8.184 ( 0.323 0.187 0.721) 0.812 16.729 ( -1.712 -0.988 -0.625) 2.073 16.743 ( -0.404 -0.233 -0.188) 0.503 16.915 ( 0.510 0.294 0.061) 0.592 16.939 ( -0.637 -0.368 2.080) 2.207 17.350 ( -0.467 -0.270 -0.015) 0.540 18.052 ( -0.156 -0.090 -1.167) 1.181======================= Grid point 2 (3/116) =======================q-point: ( 0.20 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 282Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.517 ( 11.377 6.568 1.305) 13.201 0.647 ( 14.131 8.159 2.870) 16.568 1.212 ( 24.732 14.279 -2.076) 28.633 1.936 ( -5.048 -2.914 -0.967) 5.909 2.074 ( -1.802 -1.040 -0.793) 2.227 2.213 ( -7.295 -4.212 -2.252) 8.719 2.452 ( -0.242 -0.140 0.352) 0.450 2.505 ( 1.245 0.719 0.038) 1.438 2.708 ( 3.808 2.199 -0.480) 4.423 2.775 ( 4.473 2.583 1.741) 5.451 2.867 ( 4.835 2.791 1.371) 5.748 3.523 ( -5.501 -3.176 -0.253) 6.357 5.814 ( -3.736 -2.157 -0.186) 4.317 6.030 ( 4.170 2.408 -1.505) 5.045 6.106 ( -0.751 -0.434 0.086) 0.872 6.913 ( -1.347 -0.778 0.030) 1.556 6.975 ( 0.535 0.309 0.206) 0.651 7.239 ( -2.520 -1.455 -0.172) 2.914 7.505 ( 2.615 1.510 -0.006) 3.020 8.004 ( 0.206 0.119 -0.208) 0.316 8.194 ( 0.476 0.275 1.197) 1.317 16.674 ( -3.081 -1.779 -0.961) 3.685 16.734 ( -0.240 -0.138 -0.312) 0.417 16.924 ( -0.567 -0.327 3.580) 3.639 16.926 ( 0.411 0.237 0.107) 0.487 17.336 ( -0.669 -0.386 -0.100) 0.779 18.045 ( -0.483 -0.279 -2.069) 2.142======================= Grid point 3 (4/116) =======================q-point: ( 0.30 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.761 ( 10.233 5.908 1.277) 11.885 0.952 ( 12.910 7.454 2.885) 15.184 1.708 ( 18.527 10.696 -1.746) 21.464 1.821 ( -5.099 -2.944 -0.729) 5.932 2.039 ( -0.381 -0.220 -1.022) 1.113 2.046 ( -7.591 -4.383 -2.441) 9.099 2.434 ( -1.152 -0.665 -0.003) 1.331 2.534 ( 1.212 0.700 -0.113) 1.404 2.796 ( 3.815 2.203 -0.291) 4.415 2.882 ( 4.668 2.695 1.327) 5.551 2.960 ( 3.433 1.982 0.998) 4.088 3.379 ( -7.270 -4.198 0.346) 8.402 5.731 ( -3.485 -2.012 -0.174) 4.027 6.066 ( -0.765 -0.442 -0.559) 1.045 6.151 ( 4.419 2.551 -0.910) 5.183 6.881 ( -1.452 -0.839 0.010) 1.677 6.983 ( 0.072 0.042 0.538) 0.545 7.182 ( -2.425 -1.400 -0.489) 2.842 7.562 ( 2.332 1.347 -0.018) 2.693 8.010 ( 0.282 0.163 -0.189) 0.376 8.204 ( 0.416 0.240 1.237) 1.327 16.600 ( -3.312 -1.912 -0.844) 3.917 16.734 ( 0.184 0.106 -0.342) 0.403 16.916 ( -0.146 -0.084 3.834) 3.838 16.930 ( -0.012 -0.007 0.137) 0.138 17.322 ( -0.547 -0.316 -0.211) 0.666 18.031 ( -0.782 -0.451 -2.316) 2.486======================= Grid point 4 (5/116) =======================q-point: ( 0.40 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 282Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.959 ( 7.006 4.045 0.932) 8.143 1.211 ( 9.772 5.642 2.414) 11.539 1.716 ( -3.986 -2.301 -0.527) 4.632 1.881 ( -6.791 -3.921 -2.178) 8.139 1.907 ( 0.487 0.281 0.020) 0.563 2.174 ( 10.429 6.021 -1.618) 12.151 2.418 ( 0.299 0.173 -0.843) 0.911 2.557 ( 0.771 0.445 -0.116) 0.898 2.866 ( 2.249 1.298 -0.092) 2.598 2.966 ( 2.495 1.440 1.093) 3.081 3.019 ( 1.818 1.050 0.494) 2.157 3.214 ( -6.744 -3.893 0.644) 7.813 5.667 ( -2.056 -1.187 -0.104) 2.376 6.049 ( -0.619 -0.357 -0.232) 0.752 6.239 ( 3.015 1.741 -0.703) 3.552 6.853 ( -0.945 -0.546 -0.002) 1.092 6.979 ( -0.358 -0.207 0.583) 0.715 7.139 ( -1.308 -0.755 -0.544) 1.606 7.604 ( 1.316 0.760 -0.020) 1.520 8.016 ( 0.215 0.124 -0.106) 0.270 8.211 ( 0.226 0.130 0.786) 0.828 16.537 ( -2.115 -1.221 -0.464) 2.486 16.741 ( 0.340 0.196 -0.239) 0.459 16.916 ( 0.072 0.041 2.522) 2.523 16.927 ( -0.233 -0.135 0.112) 0.292 17.313 ( -0.262 -0.151 -0.193) 0.359 18.014 ( -0.647 -0.373 -1.573) 1.741======================= Grid point 5 (6/116) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 156Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.044 ( 0.000 0.000 0.000) 0.000 1.338 ( 0.000 0.000 0.000) 0.000 1.665 ( 0.000 0.000 -0.000) 0.000 1.788 ( -0.000 -0.000 -0.000) 0.000 1.902 ( 0.000 0.000 -0.000) 0.000 2.292 ( 0.000 0.000 -0.000) 0.000 2.447 ( 0.000 0.000 0.000) 0.000 2.566 ( 0.000 0.000 -0.000) 0.000 2.892 ( 0.000 0.000 0.000) 0.000 2.987 ( 0.000 0.000 0.000) 0.000 3.040 ( 0.000 0.000 0.000) 0.000 3.129 ( 0.000 0.000 -0.000) 0.000 5.644 ( 0.000 0.000 0.000) 0.000 6.041 ( 0.000 0.000 0.000) 0.000 6.274 ( 0.000 0.000 -0.000) 0.000 6.842 ( 0.000 0.000 0.000) 0.000 6.973 ( 0.000 0.000 -0.000) 0.000 7.124 ( 0.000 0.000 0.000) 0.000 7.619 ( 0.000 0.000 0.000) 0.000 8.019 ( 0.000 0.000 -0.000) 0.000 8.214 ( 0.000 0.000 0.000) 0.000 16.512 ( 0.000 0.000 -0.000) 0.000 16.745 ( 0.000 0.000 -0.000) 0.000 16.917 ( 0.000 0.000 0.000) 0.000 16.924 ( 0.000 0.000 0.000) 0.000 17.310 ( 0.000 0.000 -0.000) 0.000 18.006 ( 0.000 0.000 -0.000) 0.000======================= Grid point 12 (7/116) =======================q-point: ( 0.10 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.439 ( 6.400 11.085 0.000) 12.800 0.574 ( 8.624 14.937 0.000) 17.247 1.058 ( 14.654 25.381 0.000) 29.308 1.961 ( -3.011 -5.215 0.000) 6.022 2.082 ( -1.068 -1.850 0.000) 2.136 2.277 ( -3.375 -5.846 0.000) 6.751 2.425 ( -0.152 -0.262 0.000) 0.303 2.540 ( 2.027 3.511 0.000) 4.054 2.642 ( -0.420 -0.727 0.000) 0.840 2.757 ( 3.615 6.261 0.000) 7.229 2.845 ( 2.727 4.723 0.000) 5.453 3.553 ( -2.855 -4.945 0.000) 5.710 5.863 ( -1.274 -2.206 0.000) 2.548 5.979 ( 1.612 2.792 0.000) 3.224 6.110 ( -0.649 -1.124 0.000) 1.297 6.921 ( -0.665 -1.151 0.000) 1.330 6.971 ( 0.302 0.524 0.000) 0.605 7.254 ( -1.376 -2.384 0.000) 2.752 7.491 ( 1.503 2.604 0.000) 3.007 8.005 ( 0.187 0.324 0.000) 0.374 8.190 ( 0.214 0.371 0.000) 0.428 16.676 ( -1.733 -3.002 0.000) 3.467 16.760 ( 0.249 0.431 0.000) 0.498 16.861 ( -1.766 -3.058 0.000) 3.531 16.985 ( 1.594 2.762 0.000) 3.189 17.340 ( -0.380 -0.657 0.000) 0.759 18.044 ( -0.452 -0.782 0.000) 0.903======================= Grid point 13 (8/116) =======================q-point: ( 0.20 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.662 ( 8.600 8.290 0.765) 11.969 0.870 ( 9.696 13.776 1.594) 16.921 1.538 ( 16.346 17.667 -1.199) 24.099 1.851 ( -3.661 -5.261 -0.427) 6.423 2.040 ( -1.218 -2.060 -0.120) 2.396 2.147 ( -6.650 -3.105 -1.892) 7.579 2.424 ( 0.535 -1.575 0.290) 1.689 2.573 ( -2.409 4.978 0.160) 5.533 2.694 ( 7.007 -1.405 -0.073) 7.146 2.870 ( 2.540 4.973 0.558) 5.612 2.929 ( 2.957 3.256 0.629) 4.443 3.434 ( -5.002 -5.864 0.054) 7.708 5.800 ( -4.473 0.151 -0.001) 4.476 6.053 ( 3.692 0.506 -1.065) 3.875 6.091 ( 0.811 -1.142 0.150) 1.408 6.895 ( -1.131 -0.962 0.002) 1.485 6.980 ( 0.262 0.152 0.238) 0.385 7.200 ( -1.994 -2.541 -0.204) 3.236 7.546 ( 1.877 2.522 -0.012) 3.144 8.013 ( 0.158 0.817 -0.135) 0.842 8.197 ( 0.375 0.062 0.714) 0.809 16.616 ( -1.885 -3.360 -0.429) 3.877 16.751 ( -1.739 0.817 -0.747) 2.061 16.821 ( 1.598 -4.974 1.637) 5.475 17.035 ( -0.756 6.095 1.103) 6.239 17.326 ( -0.469 -0.589 -0.112) 0.761 18.022 ( -0.423 -2.226 -1.310) 2.617======================= Grid point 14 (9/116) =======================q-point: ( 0.30 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.872 ( 8.019 5.501 0.900) 9.765 1.152 ( 8.245 12.568 2.165) 15.186 1.746 ( -3.153 -3.940 -1.038) 5.152 1.857 ( 5.690 2.071 -0.276) 6.061 1.975 ( -7.419 -2.512 -0.557) 7.852 2.100 ( 6.511 7.278 -2.701) 10.132 2.406 ( -0.444 -1.877 0.070) 1.930 2.588 ( -1.290 4.654 0.068) 4.829 2.798 ( 5.741 -0.811 -0.238) 5.803 2.937 ( 2.279 1.384 0.915) 2.819 3.003 ( 2.050 2.433 0.478) 3.218 3.282 ( -6.182 -5.373 0.469) 8.204 5.730 ( -4.582 1.737 -0.031) 4.901 6.054 ( -0.684 -0.700 -0.311) 1.027 6.159 ( 5.828 -1.691 -0.661) 6.104 6.869 ( -1.191 -0.210 -0.024) 1.210 6.980 ( -0.164 -0.324 0.536) 0.648 7.146 ( -1.382 -2.193 -0.471) 2.634 7.595 ( 1.301 1.937 -0.026) 2.333 8.025 ( -0.132 1.349 -0.161) 1.365 8.203 ( 0.468 -0.410 0.816) 1.026 16.552 ( -1.927 -2.688 -0.474) 3.341 16.736 ( -0.086 -0.342 -0.442) 0.565 16.805 ( 1.947 -4.907 1.473) 5.480 17.077 ( -3.100 9.058 1.452) 9.683 17.315 ( -0.276 -0.380 -0.226) 0.522 17.990 ( 0.327 -3.882 -1.623) 4.220======================= Grid point 15 (10/116) =======================q-point: ( 0.40 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.015 ( 4.000 1.656 0.443) 4.352 1.361 ( 2.597 8.968 1.402) 9.441 1.689 ( -0.952 0.739 -0.287) 1.239 1.820 ( -6.386 -2.636 -1.227) 7.017 1.874 ( 1.173 -3.316 0.001) 3.518 2.314 ( 4.062 7.262 -0.923) 8.372 2.389 ( 2.006 -3.255 -0.356) 3.840 2.609 ( -1.930 4.713 -0.023) 5.093 2.853 ( 2.695 -2.314 -0.023) 3.552 2.980 ( 1.677 -0.134 0.637) 1.799 3.036 ( 0.393 0.353 0.168) 0.554 3.151 ( -3.646 -2.183 0.279) 4.259 5.688 ( -3.165 3.139 -0.017) 4.458 6.041 ( -0.187 -0.432 -0.101) 0.481 6.218 ( 4.092 -3.711 -0.304) 5.533 6.854 ( -0.885 0.733 -0.021) 1.149 6.972 ( -0.132 -0.482 0.322) 0.595 7.116 ( -0.012 -1.515 -0.283) 1.541 7.623 ( 0.199 1.153 -0.014) 1.170 8.033 ( -0.636 1.592 -0.073) 1.716 8.205 ( 0.514 -0.784 0.353) 1.002 16.509 ( -0.537 -1.504 -0.186) 1.608 16.738 ( 0.602 -0.452 -0.206) 0.780 16.791 ( 2.412 -5.287 0.630) 5.846 17.103 ( -5.297 10.624 0.702) 11.892 17.310 ( -0.056 -0.117 -0.129) 0.183 17.965 ( 1.837 -4.714 -0.743) 5.114======================= Grid point 23 (11/116) =======================q-point: ( 0.20 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 282Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.827 ( 4.807 8.326 0.000) 9.614 1.150 ( 8.375 14.505 0.000) 16.749 1.754 ( -2.517 -4.359 0.000) 5.033 1.808 ( 3.825 6.625 0.000) 7.650 2.047 ( 3.111 5.388 0.000) 6.222 2.070 ( -2.842 -4.923 0.000) 5.685 2.401 ( -0.358 -0.619 0.000) 0.715 2.670 ( 1.470 2.545 0.000) 2.939 2.694 ( 2.096 3.630 0.000) 4.191 2.923 ( 0.469 0.813 0.000) 0.938 2.998 ( 1.902 3.294 0.000) 3.804 3.308 ( -3.887 -6.732 0.000) 7.773 5.801 ( -0.185 -0.321 0.000) 0.370 6.064 ( -0.626 -1.085 0.000) 1.253 6.069 ( 0.542 0.940 0.000) 1.085 6.880 ( -0.316 -0.547 0.000) 0.632 6.980 ( -0.152 -0.263 0.000) 0.304 7.147 ( -1.587 -2.748 0.000) 3.174 7.594 ( 1.337 2.316 0.000) 2.674 8.035 ( 0.764 1.323 0.000) 1.528 8.195 ( -0.169 -0.293 0.000) 0.338 16.553 ( -1.736 -3.006 0.000) 3.471 16.740 ( -1.396 -2.418 0.000) 2.792 16.761 ( -0.353 -0.612 0.000) 0.707 17.157 ( 3.646 6.316 0.000) 7.293 17.315 ( -0.302 -0.523 0.000) 0.604 17.961 ( -2.271 -3.934 0.000) 4.542======================= Grid point 24 (12/116) =======================q-point: ( 0.30 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.968 ( 4.223 4.086 0.280) 5.883 1.407 ( 5.350 12.755 1.011) 13.868 1.700 ( -0.477 -0.093 -0.530) 0.720 1.817 ( 0.201 -4.387 -0.020) 4.391 1.942 ( -8.361 -1.209 -0.406) 8.458 2.205 ( 7.479 -1.069 -0.959) 7.615 2.420 ( 0.307 5.911 0.061) 5.920 2.698 ( -1.648 6.118 0.496) 6.356 2.776 ( 3.689 -1.471 -0.631) 4.021 2.933 ( 1.911 -1.305 0.482) 2.364 3.035 ( 0.263 0.483 0.103) 0.560 3.188 ( -3.684 -3.909 0.179) 5.374 5.788 ( -3.177 3.991 0.060) 5.101 6.041 ( -0.657 -0.594 -0.131) 0.895 6.097 ( 4.078 -4.336 -0.188) 5.956 6.876 ( -0.399 0.938 -0.047) 1.021 6.969 ( -0.357 -0.878 0.267) 0.985 7.102 ( -0.661 -2.215 -0.206) 2.321 7.630 ( 0.626 1.532 -0.013) 1.655 8.060 ( 0.049 2.235 -0.103) 2.238 8.187 ( 0.166 -1.215 0.276) 1.257 16.503 ( -1.025 -2.199 -0.120) 2.429 16.713 ( 0.540 -1.554 -0.058) 1.646 16.745 ( -0.268 -1.687 0.312) 1.736 17.268 ( -0.736 10.196 0.917) 10.263 17.309 ( 0.185 0.085 -0.399) 0.448 17.881 ( -0.234 -7.287 -0.609) 7.317======================= Grid point 25 (13/116) =======================q-point: ( 0.40 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 282Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.027 ( 0.101 -0.175 -0.000) 0.202 1.517 ( -3.755 6.504 -0.000) 7.510 1.776 ( 0.040 -0.069 -0.000) 0.079 1.781 ( -3.817 6.611 0.000) 7.633 1.793 ( 2.504 -4.338 -0.000) 5.009 2.250 ( 5.227 -9.053 -0.000) 10.454 2.475 ( -4.272 7.400 0.000) 8.545 2.721 ( -3.628 6.284 0.000) 7.256 2.787 ( 2.477 -4.290 0.000) 4.954 2.956 ( 1.488 -2.577 -0.000) 2.976 3.031 ( 0.313 -0.542 0.000) 0.626 3.133 ( -0.051 0.088 0.000) 0.102 5.780 ( -3.461 5.995 -0.000) 6.922 6.033 ( 0.229 -0.396 0.000) 0.458 6.112 ( 3.870 -6.703 0.000) 7.740 6.879 ( -0.965 1.672 -0.000) 1.931 6.959 ( 0.496 -0.858 0.000) 0.991 7.085 ( 0.846 -1.465 0.000) 1.691 7.643 ( -0.451 0.780 -0.000) 0.901 8.073 ( -1.345 2.330 0.000) 2.690 8.182 ( 0.910 -1.577 -0.000) 1.821 16.483 ( 0.609 -1.055 0.000) 1.218 16.718 ( 1.196 -2.072 -0.000) 2.393 16.727 ( 0.495 -0.858 0.000) 0.991 17.296 ( -1.714 2.968 -0.000) 3.427 17.331 ( -4.722 8.179 0.000) 9.445 17.838 ( 4.602 -7.971 0.000) 9.205======================= Grid point 35 (14/116) =======================q-point: ( 0.30 0.30 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.022 ( 0.844 1.462 0.000) 1.689 1.596 ( 3.442 5.962 0.000) 6.884 1.724 ( -2.636 -4.566 0.000) 5.273 1.763 ( 3.075 5.325 0.000) 6.149 1.931 ( 0.301 0.522 0.000) 0.603 2.098 ( -3.946 -6.835 0.000) 7.892 2.572 ( 4.159 7.203 0.000) 8.317 2.720 ( -2.106 -3.648 0.000) 4.212 2.813 ( 2.438 4.222 0.000) 4.875 2.902 ( -0.911 -1.579 0.000) 1.823 3.025 ( -0.549 -0.951 0.000) 1.098 3.138 ( -0.754 -1.306 0.000) 1.508 5.873 ( 2.465 4.269 0.000) 4.930 6.004 ( -2.526 -4.375 0.000) 5.052 6.035 ( -0.189 -0.328 0.000) 0.379 6.903 ( 0.923 1.598 0.000) 1.846 6.945 ( -0.849 -1.471 0.000) 1.699 7.069 ( -0.541 -0.937 0.000) 1.082 7.651 ( 0.320 0.555 0.000) 0.641 8.105 ( 1.236 2.140 0.000) 2.471 8.157 ( -0.980 -1.698 0.000) 1.960 16.472 ( -0.509 -0.881 0.000) 1.018 16.699 ( 0.098 0.170 0.000) 0.197 16.717 ( -0.705 -1.220 0.000) 1.409 17.303 ( -0.056 -0.097 0.000) 0.112 17.474 ( 5.578 9.661 0.000) 11.156 17.720 ( -4.935 -8.547 0.000) 9.870======================= Grid point 109 (15/116) =======================q-point: ( 0.00 0.00 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 110Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.285 ( 0.000 0.000 13.693) 13.693 0.285 ( 0.000 0.000 13.693) 13.693 0.526 ( 0.000 -0.000 24.880) 24.880 2.135 ( 0.000 0.000 1.756) 1.756 2.407 ( 0.000 -0.000 -2.435) 2.435 2.407 ( 0.000 -0.000 -2.435) 2.435 2.534 ( 0.000 0.000 3.033) 3.033 2.605 ( 0.000 -0.000 -0.397) 0.397 2.605 ( 0.000 0.000 -0.397) 0.397 2.677 ( 0.000 -0.000 0.662) 0.662 2.677 ( 0.000 0.000 0.662) 0.662 3.115 ( 0.000 0.000 -2.066) 2.066 5.925 ( -0.000 -0.000 0.968) 0.968 5.925 ( 0.000 -0.000 0.968) 0.968 6.072 ( 0.000 -0.000 -5.701) 5.701 6.922 ( 0.000 -0.000 -2.286) 2.286 6.922 ( 0.000 -0.000 -2.286) 2.286 7.423 ( 0.000 -0.000 -0.878) 0.878 7.551 ( 0.000 0.000 2.975) 2.975 8.013 ( -0.000 -0.000 1.167) 1.167 8.013 ( 0.000 0.000 1.167) 1.167 16.749 ( 0.000 -0.000 0.056) 0.056 16.749 ( -0.000 0.000 0.056) 0.056 16.897 ( -0.000 -0.000 -1.025) 1.025 16.897 ( 0.000 0.000 -1.025) 1.025 17.353 ( 0.000 0.000 -0.143) 0.143 17.912 ( 0.000 0.000 -1.224) 1.224======================= Grid point 110 (16/116) =======================q-point: ( 0.10 0.00 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.428 ( 9.746 5.627 10.333) 15.278 0.472 ( 11.729 6.772 9.935) 16.797 0.758 ( 18.603 10.741 14.068) 25.677 2.080 ( -4.393 -2.537 2.057) 5.474 2.294 ( -11.585 -6.688 11.618) 17.718 2.316 ( -5.831 -3.367 -3.081) 7.405 2.442 ( 1.347 0.777 -0.128) 1.560 2.506 ( -0.402 -0.232 1.880) 1.936 2.641 ( 2.497 1.442 0.930) 3.030 2.721 ( 3.808 2.198 0.566) 4.433 2.772 ( 5.335 3.080 0.646) 6.194 3.357 ( 6.736 3.889 -15.163) 17.042 5.894 ( -2.533 -1.463 0.885) 3.056 5.950 ( 1.782 1.029 1.101) 2.333 6.037 ( -1.834 -1.059 -6.762) 7.086 6.914 ( -0.751 -0.434 -2.243) 2.405 6.930 ( 0.644 0.372 -2.614) 2.717 7.437 ( -5.255 -3.034 8.519) 10.459 7.444 ( 1.768 1.021 -0.890) 2.227 8.011 ( -0.022 -0.013 1.040) 1.040 8.131 ( 5.125 2.959 -2.582) 6.457 16.729 ( -1.724 -0.995 0.480) 2.047 16.740 ( -0.513 -0.296 -0.061) 0.596 16.904 ( 0.506 0.292 -1.032) 1.186 16.970 ( 3.521 2.033 -0.198) 4.070 17.356 ( -0.122 -0.070 0.199) 0.244 17.911 ( -0.497 -0.287 -6.572) 6.597======================= Grid point 111 (17/116) =======================q-point: ( 0.20 0.00 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.647 ( 9.942 5.740 9.680) 15.016 0.755 ( 13.055 7.538 7.101) 16.664 1.227 ( 21.427 12.371 3.745) 25.023 1.965 ( -5.324 -3.074 3.046) 6.861 2.137 ( -4.301 -2.483 5.722) 7.577 2.168 ( -7.071 -4.082 -2.269) 8.474 2.462 ( 0.175 0.101 0.858) 0.881 2.515 ( 0.877 0.506 0.931) 1.375 2.711 ( 3.617 2.088 0.720) 4.238 2.811 ( 4.252 2.455 1.457) 5.122 2.889 ( 4.863 2.807 0.792) 5.670 3.393 ( -1.856 -1.072 -10.624) 10.838 5.821 ( -3.713 -2.144 0.909) 4.383 5.969 ( -0.913 -0.527 -6.683) 6.766 6.043 ( 3.123 1.803 -1.818) 4.039 6.890 ( -1.360 -0.785 -2.238) 2.733 6.947 ( 0.811 0.468 -2.638) 2.799 7.343 ( -3.665 -2.116 7.903) 8.964 7.495 ( 2.594 1.498 -0.918) 3.133 8.012 ( 0.154 0.089 0.933) 0.950 8.207 ( 2.166 1.250 0.261) 2.514 16.679 ( -2.644 -1.527 1.201) 3.281 16.730 ( -0.293 -0.169 -0.105) 0.354 16.915 ( 0.401 0.231 -1.100) 1.194 17.014 ( 0.736 0.425 3.953) 4.043 17.343 ( -0.905 -0.522 0.738) 1.279 17.896 ( -0.593 -0.342 -10.247) 10.270======================= Grid point 112 (18/116) =======================q-point: ( 0.30 0.00 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.867 ( 9.449 5.455 8.310) 13.715 1.039 ( 12.018 6.939 5.327) 14.865 1.649 ( 13.587 7.844 -2.431) 15.876 1.869 ( -1.756 -1.014 3.864) 4.363 2.007 ( -7.150 -4.128 -1.357) 8.367 2.072 ( -0.947 -0.547 3.628) 3.790 2.445 ( -1.486 -0.858 1.329) 2.170 2.538 ( 1.095 0.632 0.538) 1.374 2.792 ( 3.376 1.949 -0.169) 3.902 2.909 ( 4.309 2.488 1.107) 5.097 2.984 ( 3.605 2.081 1.377) 4.385 3.313 ( -4.921 -2.841 -6.192) 8.404 5.739 ( -3.404 -1.965 1.014) 4.059 5.940 ( -1.273 -0.735 -10.095) 10.201 6.135 ( 4.473 2.582 -0.358) 5.177 6.857 ( -1.468 -0.848 -2.253) 2.820 6.963 ( 0.570 0.329 -2.354) 2.444 7.266 ( -3.104 -1.792 7.235) 8.074 7.552 ( 2.319 1.339 -0.944) 2.840 8.017 ( 0.295 0.171 0.876) 0.940 8.240 ( 0.908 0.524 2.058) 2.309 16.617 ( -2.679 -1.547 2.238) 3.818 16.729 ( 0.195 0.112 -0.127) 0.259 16.920 ( -0.014 -0.008 -1.138) 1.138 17.012 ( -0.885 -0.511 4.937) 5.041 17.321 ( -0.934 -0.539 0.134) 1.087 17.890 ( 0.089 0.051 -10.421) 10.422======================= Grid point 113 (19/116) =======================q-point: ( 0.40 0.00 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.050 ( 6.326 3.652 7.428) 10.418 1.271 ( 7.890 4.555 3.161) 9.643 1.702 ( -2.836 -1.637 -0.712) 3.351 1.862 ( -5.199 -3.002 0.374) 6.015 1.912 ( 0.329 0.190 0.560) 0.677 2.186 ( 10.252 5.919 2.020) 12.010 2.413 ( -0.969 -0.559 0.881) 1.424 2.560 ( 0.819 0.473 0.449) 1.046 2.851 ( 1.778 1.026 -1.317) 2.439 2.990 ( 2.547 1.470 0.922) 3.082 3.047 ( 1.926 1.112 2.125) 3.076 3.186 ( -5.933 -3.425 -3.115) 7.526 5.678 ( -1.948 -1.125 1.150) 2.527 5.918 ( -0.661 -0.381 -10.948) 10.974 6.226 ( 3.301 1.906 -0.409) 3.834 6.829 ( -0.951 -0.549 -2.269) 2.521 6.970 ( 0.008 0.005 -1.784) 1.784 7.211 ( -1.681 -0.970 6.676) 6.953 7.593 ( 1.326 0.766 -0.948) 1.801 8.024 ( 0.276 0.159 0.876) 0.932 8.250 ( -0.013 -0.007 2.696) 2.696 16.568 ( -1.506 -0.870 3.261) 3.696 16.737 ( 0.469 0.271 -0.094) 0.550 16.916 ( -0.284 -0.164 -1.155) 1.201 16.976 ( -2.197 -1.268 3.124) 4.024 17.307 ( -0.291 -0.168 -0.394) 0.518 17.902 ( 0.983 0.567 -8.715) 8.789======================= Grid point 114 (20/116) =======================q-point: (-0.50 0.00 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.114 ( -1.145 -0.661 6.336) 6.472 1.335 ( -2.952 -1.704 -0.213) 3.415 1.670 ( 0.842 0.486 0.633) 1.161 1.827 ( 2.809 1.622 3.609) 4.853 1.903 ( -0.193 -0.112 0.103) 0.246 2.334 ( 0.856 0.494 3.629) 3.761 2.429 ( 2.040 1.178 -1.335) 2.708 2.572 ( 0.122 0.070 0.526) 0.545 2.870 ( -0.125 -0.072 -2.099) 2.104 3.001 ( -1.666 -0.962 1.071) 2.202 3.066 ( -0.302 -0.174 2.406) 2.431 3.099 ( -0.509 -0.294 -2.774) 2.836 5.657 ( 0.100 0.058 1.273) 1.279 5.912 ( 0.143 0.083 -11.145) 11.146 6.271 ( 0.621 0.359 -0.142) 0.731 6.818 ( 0.000 0.000 -2.279) 2.279 6.966 ( -0.318 -0.184 -1.341) 1.391 7.196 ( 0.324 0.187 6.328) 6.339 7.609 ( 0.019 0.011 -0.936) 0.936 8.029 ( 0.096 0.056 0.938) 0.944 8.241 ( -0.694 -0.401 2.481) 2.608 16.556 ( 0.469 0.271 4.026) 4.062 16.746 ( 0.239 0.138 0.070) 0.285 16.910 ( -0.121 -0.070 -1.234) 1.242 16.922 ( -2.448 -1.413 0.407) 2.856 17.307 ( 0.219 0.127 -0.312) 0.402 17.931 ( 1.501 0.867 -6.912) 7.126======================= Grid point 116 (21/116) =======================q-point: (-0.40 0.00 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.010 ( -7.384 -4.263 5.389) 10.087 1.177 ( -9.898 -5.715 -0.740) 11.453 1.735 ( 4.230 2.442 1.745) 5.187 1.905 ( -0.439 -0.254 -0.353) 0.618 1.950 ( 6.969 4.023 4.335) 9.140 2.251 ( -7.970 -4.601 5.221) 10.581 2.436 ( -0.193 -0.111 0.845) 0.874 2.565 ( -0.730 -0.421 0.592) 1.030 2.848 ( -1.760 -1.016 -2.055) 2.890 2.953 ( -2.949 -1.702 -0.177) 3.409 3.032 ( -2.662 -1.537 1.878) 3.602 3.159 ( 5.425 3.132 -4.422) 7.668 5.682 ( 2.117 1.222 1.346) 2.790 5.924 ( 0.874 0.505 -10.942) 10.989 6.251 ( -2.372 -1.370 0.474) 2.780 6.829 ( 0.937 0.541 -2.290) 2.533 6.959 ( -0.218 -0.126 -1.579) 1.599 7.222 ( 1.924 1.111 6.619) 6.981 7.594 ( -1.311 -0.757 -0.929) 1.776 8.028 ( -0.100 -0.058 1.057) 1.063 8.221 ( -1.056 -0.610 1.680) 2.075 16.588 ( 2.298 1.327 4.274) 5.031 16.746 ( -0.152 -0.088 0.310) 0.356 16.877 ( -1.360 -0.785 -1.156) 1.949 16.911 ( 0.159 0.092 -1.351) 1.364 17.315 ( 0.479 0.277 -0.027) 0.554 17.963 ( 1.196 0.690 -6.198) 6.350======================= Grid point 117 (22/116) =======================q-point: (-0.30 0.00 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.817 ( -9.334 -5.389 6.307) 12.487 0.927 ( -12.130 -7.003 0.555) 14.017 1.733 ( -13.092 -7.559 1.993) 15.248 1.866 ( 3.169 1.830 1.896) 4.121 2.110 ( 7.164 4.136 3.708) 9.065 2.125 ( -0.105 -0.061 6.750) 6.751 2.440 ( 0.273 0.158 0.613) 0.690 2.541 ( -1.340 -0.774 0.450) 1.612 2.794 ( -2.962 -1.710 -1.040) 3.575 2.862 ( -4.937 -2.851 -0.545) 5.727 2.951 ( -4.456 -2.573 0.618) 5.183 3.299 ( 6.176 3.565 -6.787) 9.844 5.746 ( 3.486 2.013 1.344) 4.244 5.949 ( 1.350 0.780 -10.376) 10.493 6.173 ( -4.356 -2.515 1.066) 5.142 6.856 ( 1.431 0.826 -2.312) 2.842 6.954 ( -0.295 -0.170 -2.116) 2.143 7.277 ( 2.891 1.669 7.279) 8.008 7.552 ( -2.337 -1.349 -0.929) 2.853 8.025 ( -0.195 -0.113 1.192) 1.213 8.196 ( -1.184 -0.684 0.555) 1.476 16.649 ( 2.866 1.654 3.411) 4.752 16.742 ( -0.143 -0.082 0.451) 0.480 16.868 ( 0.583 0.337 -0.605) 0.905 16.914 ( 0.036 0.021 -1.378) 1.378 17.328 ( 0.677 0.391 0.275) 0.828 17.979 ( 0.176 0.102 -6.758) 6.761======================= Grid point 118 (23/116) =======================q-point: (-0.20 0.00 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.610 ( -8.899 -5.138 9.326) 13.877 0.648 ( -12.502 -7.218 2.968) 14.738 1.307 ( -22.197 -12.815 6.785) 26.513 1.966 ( 4.646 2.683 1.102) 5.477 2.192 ( 4.682 2.703 9.090) 10.576 2.266 ( 6.701 3.869 2.820) 8.236 2.441 ( -0.114 -0.066 -0.707) 0.719 2.508 ( -1.471 -0.849 0.096) 1.702 2.723 ( -3.134 -1.809 0.464) 3.649 2.749 ( -4.767 -2.752 -0.715) 5.551 2.839 ( -5.487 -3.168 -0.775) 6.383 3.405 ( 2.673 1.544 -9.915) 10.384 5.829 ( 3.669 2.118 1.264) 4.421 5.980 ( 1.096 0.633 -8.818) 8.908 6.072 ( -4.176 -2.411 0.801) 4.888 6.888 ( 1.330 0.768 -2.337) 2.797 6.945 ( -0.554 -0.320 -2.441) 2.523 7.348 ( 3.465 2.000 8.059) 8.997 7.495 ( -2.610 -1.507 -0.915) 3.150 8.020 ( -0.199 -0.115 1.274) 1.295 8.167 ( -1.535 -0.886 -0.898) 1.987 16.705 ( 1.967 1.136 1.331) 2.632 16.742 ( 0.148 0.086 0.422) 0.455 16.900 ( 2.001 1.155 1.237) 2.621 16.911 ( -0.328 -0.190 -1.288) 1.343 17.344 ( 0.703 0.406 0.480) 0.943 17.969 ( -1.045 -0.603 -7.860) 7.952======================= Grid point 119 (24/116) =======================q-point: (-0.10 0.00 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.388 ( -9.941 -5.740 7.812) 13.885 0.432 ( -6.915 -3.993 13.235) 15.457 0.803 ( -21.253 -12.271 13.796) 28.153 2.071 ( 4.732 2.732 1.117) 5.578 2.310 ( 5.824 3.362 8.686) 10.985 2.398 ( 4.112 2.374 1.051) 4.863 2.458 ( 2.899 1.674 3.067) 4.540 2.487 ( 0.446 0.258 0.499) 0.717 2.664 ( -2.095 -1.210 1.671) 2.940 2.667 ( -2.032 -1.173 -0.785) 2.474 2.714 ( -5.272 -3.044 -1.606) 6.296 3.374 ( -7.223 -4.170 -14.465) 16.697 5.899 ( 2.351 1.357 1.121) 2.937 5.957 ( -2.657 -1.534 -0.425) 3.097 6.041 ( 1.408 0.813 -5.643) 5.873 6.913 ( 0.788 0.455 -2.332) 2.503 6.931 ( -0.606 -0.350 -2.493) 2.590 7.439 ( 5.145 2.971 8.601) 10.453 7.444 ( -1.769 -1.022 -0.890) 2.229 8.016 ( -0.175 -0.101 1.262) 1.278 8.113 ( -3.927 -2.267 -2.824) 5.342 16.736 ( 0.888 0.513 0.024) 1.025 16.747 ( 0.228 0.131 0.256) 0.367 16.902 ( -0.413 -0.238 -1.138) 1.234 16.931 ( -0.080 -0.046 0.197) 0.218 17.355 ( 0.181 0.104 0.163) 0.265 17.936 ( -1.751 -1.011 -6.651) 6.951======================= Grid point 121 (25/116) =======================q-point: ( 0.10 0.10 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.571 ( 6.244 8.064 10.692) 14.776 0.631 ( 11.745 11.116 5.315) 17.023 1.134 ( 9.720 23.606 7.146) 26.511 1.995 ( -2.786 -5.152 1.867) 6.148 2.178 ( -5.793 -5.415 7.500) 10.915 2.280 ( -6.940 -1.684 0.252) 7.146 2.422 ( 1.283 -1.445 0.080) 1.935 2.553 ( 1.786 3.528 1.111) 4.107 2.648 ( 0.554 -0.787 0.559) 1.113 2.774 ( 4.800 4.831 1.168) 6.910 2.837 ( 5.054 3.889 -0.593) 6.405 3.407 ( -1.099 -0.440 -11.526) 11.587 5.861 ( -1.610 -2.351 -0.132) 2.853 5.994 ( 0.929 3.082 0.876) 3.336 6.009 ( -1.667 -1.196 -7.364) 7.644 6.898 ( -0.582 -1.159 -2.269) 2.614 6.941 ( 0.394 0.586 -2.593) 2.687 7.367 ( -2.357 -3.703 8.201) 9.302 7.481 ( 1.480 2.579 -0.909) 3.109 8.017 ( -0.128 0.502 1.115) 1.229 8.174 ( 2.640 1.351 -0.925) 3.107 16.690 ( -2.045 -2.195 1.044) 3.177 16.754 ( -0.692 0.780 -0.307) 1.087 16.881 ( 0.140 -2.807 0.802) 2.922 16.990 ( 4.090 0.738 0.462) 4.181 17.348 ( -0.361 -0.672 0.587) 0.962 17.929 ( -2.390 1.430 -8.683) 9.119======================= Grid point 122 (26/116) =======================q-point: ( 0.20 0.10 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.769 ( 8.373 6.772 8.753) 13.877 0.939 ( 11.431 11.360 4.725) 16.794 1.526 ( 12.079 16.071 0.601) 20.113 1.891 ( -3.296 -4.087 3.304) 6.204 2.067 ( -2.589 -2.935 1.750) 4.287 2.140 ( -8.191 -0.816 1.650) 8.395 2.430 ( 1.150 -1.901 0.616) 2.306 2.586 ( -2.611 5.369 1.149) 6.080 2.701 ( 6.634 -1.616 0.663) 6.860 2.883 ( 3.012 3.495 0.382) 4.629 2.946 ( 4.003 3.348 1.139) 5.341 3.346 ( -3.138 -3.978 -7.794) 9.296 5.801 ( -3.794 -0.316 -0.093) 3.808 5.963 ( -2.321 -0.236 -8.452) 8.768 6.063 ( 4.665 0.460 -0.016) 4.688 6.872 ( -1.150 -0.919 -2.212) 2.657 6.954 ( 0.668 0.177 -2.534) 2.627 7.292 ( -2.660 -2.933 7.483) 8.466 7.535 ( 1.861 2.487 -0.963) 3.252 8.023 ( -0.029 0.994 1.018) 1.423 8.218 ( 1.848 0.007 1.205) 2.206 16.634 ( -1.922 -2.530 1.907) 3.706 16.741 ( -1.293 0.554 -0.203) 1.421 16.860 ( 1.509 -4.723 1.506) 5.182 17.058 ( 1.307 3.689 1.184) 4.089 17.331 ( -0.846 -0.691 0.516) 1.209 17.898 ( -1.806 -0.157 -9.652) 9.821======================= Grid point 123 (27/116) =======================q-point: ( 0.30 0.10 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.965 ( 7.808 4.662 7.610) 11.858 1.219 ( 8.323 11.181 4.016) 14.506 1.710 ( -0.302 -1.212 -1.832) 2.217 1.870 ( 2.126 -0.637 1.168) 2.508 1.973 ( -8.466 -0.643 0.356) 8.498 2.106 ( 6.244 5.682 2.600) 8.834 2.418 ( -0.634 -1.310 1.368) 1.997 2.597 ( -1.845 4.908 0.752) 5.297 2.796 ( 5.110 -0.669 -0.105) 5.154 2.949 ( 2.920 0.715 0.251) 3.017 3.030 ( 2.290 2.481 1.977) 3.912 3.237 ( -4.561 -4.736 -4.544) 7.992 5.737 ( -4.209 1.607 0.660) 4.554 5.929 ( -1.307 -0.494 -10.286) 10.381 6.148 ( 5.555 -1.243 -0.152) 5.694 6.846 ( -1.252 -0.189 -2.226) 2.561 6.964 ( 0.486 -0.355 -2.195) 2.276 7.226 ( -2.010 -2.285 6.994) 7.628 7.585 ( 1.316 1.906 -0.983) 2.516 8.034 ( -0.197 1.506 0.994) 1.815 8.237 ( 0.953 -0.722 2.342) 2.630 16.580 ( -1.624 -2.037 2.912) 3.907 16.731 ( 0.046 -0.212 -0.039) 0.221 16.836 ( 1.456 -5.393 1.275) 5.730 17.100 ( -2.662 7.127 0.908) 7.662 17.311 ( -0.642 -0.455 -0.144) 0.800 17.874 ( 0.515 -2.148 -9.028) 9.294======================= Grid point 124 (28/116) =======================q-point: ( 0.40 0.10 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.095 ( 3.367 0.981 6.864) 7.708 1.392 ( -0.120 7.193 1.462) 7.341 1.687 ( -0.201 1.554 0.195) 1.579 1.825 ( -3.642 -1.298 1.707) 4.226 1.879 ( 0.473 -3.316 0.596) 3.402 2.310 ( 7.787 3.998 -0.483) 8.766 2.397 ( -1.075 0.517 2.169) 2.475 2.614 ( -2.011 4.724 0.432) 5.152 2.845 ( 2.110 -1.547 -0.907) 2.769 2.995 ( 1.808 -0.825 0.708) 2.109 3.064 ( 0.291 0.206 2.394) 2.420 3.122 ( -3.547 -2.618 -2.951) 5.305 5.698 ( -3.009 3.104 1.089) 4.458 5.912 ( -0.270 -0.292 -11.007) 11.014 6.212 ( 4.332 -3.260 -0.168) 5.424 6.830 ( -0.888 0.709 -2.277) 2.545 6.963 ( 0.119 -0.773 -1.680) 1.853 7.189 ( -0.220 -1.285 6.560) 6.688 7.613 ( 0.238 1.136 -0.973) 1.514 8.043 ( -0.611 1.787 1.037) 2.155 8.237 ( 0.220 -1.203 2.577) 2.852 16.548 ( -0.151 -1.109 3.760) 3.923 16.736 ( 0.793 -0.392 -0.003) 0.884 16.805 ( 1.427 -5.664 0.674) 5.880 17.103 ( -6.259 9.047 -0.615) 11.018 17.304 ( 0.100 -0.079 -0.412) 0.432 17.877 ( 3.023 -3.332 -7.361) 8.627======================= Grid point 125 (29/116) =======================q-point: (-0.50 0.10 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.075 ( -4.309 -2.855 5.778) 7.753 1.340 ( -10.385 2.257 -0.462) 10.637 1.701 ( 0.995 1.740 1.098) 2.286 1.867 ( 3.695 -0.014 1.538) 4.002 1.884 ( 4.584 1.268 2.593) 5.418 2.359 ( -4.737 -1.379 2.406) 5.490 2.393 ( 1.486 -1.366 0.846) 2.189 2.614 ( -2.928 3.781 0.397) 4.798 2.846 ( 0.302 -2.033 -0.866) 2.230 2.972 ( -1.778 -2.322 -0.092) 2.926 3.059 ( -1.042 -0.315 2.278) 2.524 3.110 ( 2.808 1.378 -3.542) 4.725 5.699 ( -1.043 4.078 1.142) 4.361 5.914 ( 0.634 0.154 -11.004) 11.023 6.223 ( 1.731 -5.066 0.233) 5.359 6.830 ( -0.163 1.178 -2.284) 2.575 6.957 ( 0.115 -0.681 -1.578) 1.723 7.194 ( 1.717 -0.328 6.507) 6.737 7.613 ( -1.066 0.385 -0.960) 1.485 8.046 ( -1.037 1.615 1.157) 2.241 8.224 ( -0.282 -1.193 2.109) 2.440 16.557 ( 1.859 -0.222 4.213) 4.610 16.744 ( 0.367 -0.279 0.278) 0.538 16.782 ( 2.204 -5.014 -0.201) 5.481 17.074 ( -7.172 8.777 -1.964) 11.504 17.310 ( 0.377 0.178 -0.174) 0.452 17.906 ( 3.986 -3.332 -6.183) 8.076======================= Grid point 126 (30/116) =======================q-point: (-0.40 0.10 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.928 ( -8.691 -3.315 5.869) 10.999 1.133 ( -14.951 0.735 0.318) 14.972 1.765 ( 3.690 0.058 1.535) 3.997 1.867 ( -1.674 -2.843 0.091) 3.300 2.016 ( 4.889 2.419 3.477) 6.469 2.200 ( -7.078 -1.518 6.034) 9.424 2.408 ( 1.703 -1.625 0.238) 2.366 2.593 ( -3.241 3.104 0.433) 4.509 2.806 ( -2.331 -3.707 0.378) 4.396 2.912 ( -2.565 -1.525 -1.426) 3.307 3.015 ( -3.968 -0.258 1.641) 4.302 3.217 ( 6.592 2.471 -5.473) 8.917 5.739 ( 0.922 4.149 0.827) 4.330 5.935 ( 1.262 0.722 -10.418) 10.519 6.174 ( -0.966 -5.998 0.827) 6.131 6.846 ( 0.730 1.028 -2.248) 2.578 6.954 ( 0.077 -0.327 -2.015) 2.043 7.235 ( 3.063 0.267 6.951) 7.601 7.585 ( -2.312 -0.193 -0.960) 2.511 8.040 ( -1.133 0.940 1.273) 1.946 8.208 ( -0.683 -0.496 1.278) 1.532 16.600 ( 3.173 -0.239 3.784) 4.944 16.749 ( 0.386 0.646 0.769) 1.076 16.783 ( 2.780 -3.632 -0.491) 4.600 17.039 ( -6.085 7.151 -2.097) 9.621 17.319 ( 0.605 0.175 0.148) 0.647 17.937 ( 3.124 -2.976 -6.390) 7.710======================= Grid point 127 (31/116) =======================q-point: (-0.30 0.10 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.742 ( -10.210 -1.455 7.877) 12.978 0.877 ( -16.302 1.264 2.114) 16.487 1.577 ( -19.655 -6.769 2.931) 20.993 1.893 ( 5.548 0.647 2.383) 6.073 2.085 ( 5.216 -1.316 3.901) 6.645 2.216 ( 4.475 1.422 4.727) 6.663 2.412 ( 0.724 -1.418 -0.806) 1.785 2.578 ( -2.865 4.726 0.630) 5.562 2.705 ( -2.923 -6.318 0.890) 7.018 2.857 ( -4.552 1.534 -1.065) 4.920 2.926 ( -5.968 -0.041 0.745) 6.015 3.344 ( 5.752 1.045 -7.816) 9.760 5.802 ( 2.338 2.762 0.163) 3.622 5.968 ( 1.480 1.323 -9.184) 9.397 6.085 ( -2.597 -5.526 1.197) 6.222 6.872 ( 1.316 0.575 -2.253) 2.672 6.950 ( -0.326 -0.118 -2.414) 2.439 7.297 ( 3.796 0.383 7.528) 8.440 7.536 ( -3.102 -0.397 -0.952) 3.269 8.028 ( -0.813 0.113 1.250) 1.496 8.192 ( -1.246 0.617 0.360) 1.436 16.648 ( 3.225 -1.063 2.209) 4.050 16.761 ( -0.253 0.697 -0.020) 0.742 16.816 ( 4.007 -0.763 1.423) 4.320 17.010 ( -4.418 5.032 -1.216) 6.805 17.333 ( 0.844 0.127 0.448) 0.963 17.947 ( 1.404 -2.902 -7.695) 8.343======================= Grid point 132 (32/116) =======================q-point: ( 0.20 0.20 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.906 ( 5.469 7.106 7.132) 11.457 1.177 ( 10.605 12.664 2.421) 16.694 1.730 ( -1.814 1.987 -0.821) 2.813 1.842 ( 0.371 -0.255 1.814) 1.869 2.051 ( 1.432 0.085 1.468) 2.052 2.129 ( -5.633 1.851 3.926) 7.112 2.405 ( 0.940 -0.293 0.667) 1.190 2.675 ( 3.983 0.818 0.513) 4.098 2.711 ( -0.651 5.428 1.459) 5.658 2.914 ( 1.647 0.159 -0.852) 1.862 3.017 ( 2.456 3.340 1.834) 4.533 3.247 ( -2.769 -5.836 -5.651) 8.582 5.796 ( -0.063 -0.277 -0.849) 0.895 5.950 ( -0.869 -1.251 -9.045) 9.172 6.077 ( -0.467 1.256 0.830) 1.577 6.858 ( -0.328 -0.494 -2.150) 2.230 6.953 ( 0.187 -0.314 -2.406) 2.433 7.234 ( -1.998 -2.900 7.144) 7.965 7.584 ( 1.298 2.317 -1.006) 2.840 8.049 ( 0.566 1.576 1.293) 2.116 8.212 ( 0.935 -0.454 1.577) 1.889 16.588 ( -1.946 -2.206 3.017) 4.214 16.739 ( -1.836 -0.881 0.056) 2.037 16.777 ( 0.819 -3.019 1.417) 3.434 17.140 ( 5.174 4.599 -1.437) 7.070 17.319 ( -0.614 -0.473 0.282) 0.824 17.877 ( -3.731 -2.064 -7.610) 8.723======================= Grid point 133 (33/116) =======================q-point: ( 0.30 0.20 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.044 ( 4.369 3.351 6.727) 8.693 1.445 ( 5.838 11.244 2.503) 12.914 1.693 ( -0.399 0.895 -0.041) 0.980 1.821 ( 0.030 -3.874 0.365) 3.892 1.952 ( -8.997 -1.106 1.406) 9.173 2.189 ( 5.726 -1.147 -0.574) 5.868 2.447 ( 0.826 5.978 2.494) 6.530 2.711 ( -2.196 6.269 0.637) 6.673 2.778 ( 3.505 -1.271 0.585) 3.774 2.938 ( 2.691 -1.516 0.020) 3.089 3.061 ( 0.463 0.428 2.266) 2.352 3.148 ( -2.944 -3.889 -3.908) 6.250 5.792 ( -2.474 3.787 0.005) 4.524 5.921 ( -1.347 -0.363 -9.995) 10.091 6.094 ( 3.708 -3.998 0.231) 5.458 6.853 ( -0.544 0.947 -2.198) 2.454 6.949 ( 0.205 -1.150 -2.222) 2.510 7.183 ( -1.080 -2.050 6.913) 7.291 7.619 ( 0.628 1.533 -1.021) 1.946 8.074 ( -0.093 2.525 1.343) 2.861 8.215 ( 0.576 -1.576 2.235) 2.795 16.543 ( -0.969 -1.718 3.722) 4.213 16.716 ( 0.304 -1.152 0.350) 1.241 16.756 ( -0.037 -2.647 0.749) 2.752 17.257 ( 0.465 8.728 -1.752) 8.914 17.305 ( -0.733 -0.057 -0.137) 0.748 17.799 ( -0.480 -5.631 -6.968) 8.972======================= Grid point 134 (34/116) =======================q-point: ( 0.40 0.20 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.095 ( -0.275 -0.513 6.243) 6.270 1.522 ( -5.335 6.034 0.577) 8.075 1.774 ( -5.804 4.396 -0.312) 7.287 1.797 ( 2.947 -4.253 0.615) 5.211 1.820 ( 3.388 2.717 3.600) 5.641 2.234 ( 5.836 -8.474 -1.299) 10.371 2.504 ( -3.611 7.019 2.596) 8.310 2.719 ( -3.729 4.832 -0.114) 6.104 2.800 ( 2.332 -2.154 0.947) 3.313 2.959 ( 0.714 -3.019 0.266) 3.114 3.054 ( 0.429 -0.721 1.626) 1.829 3.098 ( -0.330 -0.100 -2.788) 2.810 5.788 ( -3.430 5.796 0.900) 6.794 5.907 ( 0.141 -0.103 -10.930) 10.932 6.112 ( 4.164 -6.566 0.224) 7.778 6.855 ( -0.910 1.701 -2.302) 3.003 6.941 ( 0.539 -1.369 -1.972) 2.460 7.165 ( 0.789 -1.069 6.756) 6.885 7.632 ( -0.424 0.769 -1.012) 1.340 8.089 ( -1.313 2.649 1.447) 3.292 8.206 ( 0.629 -1.911 2.232) 3.005 16.528 ( 0.749 -0.915 4.137) 4.303 16.721 ( 1.230 -1.454 0.226) 1.918 16.732 ( 0.101 -1.557 0.456) 1.626 17.281 ( -5.163 5.991 -1.816) 8.115 17.314 ( -1.632 4.005 -1.172) 4.481 17.775 ( 5.146 -6.923 -5.840) 10.417======================= Grid point 136 (35/116) =======================q-point: (-0.50 0.20 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.032 ( -5.749 -1.014 6.095) 8.440 1.405 ( -13.805 3.705 0.834) 14.317 1.716 ( 0.509 -0.435 1.117) 1.302 1.819 ( 3.408 -2.116 0.082) 4.012 1.973 ( 5.158 4.924 2.822) 7.669 2.220 ( 1.058 -8.168 0.191) 8.239 2.446 ( -6.726 2.545 2.520) 7.620 2.693 ( -3.828 3.900 0.030) 5.464 2.802 ( -1.000 -2.702 1.683) 3.337 2.918 ( -0.528 -1.875 -0.891) 2.143 3.057 ( -0.892 0.132 2.151) 2.332 3.140 ( 4.451 1.303 -4.288) 6.316 5.790 ( -2.025 4.037 0.031) 4.517 5.922 ( 1.076 0.805 -10.103) 10.192 6.103 ( 2.098 -5.832 0.596) 6.227 6.854 ( -0.559 0.894 -2.199) 2.439 6.944 ( 0.736 -0.383 -2.151) 2.305 7.186 ( 2.482 -0.401 6.863) 7.309 7.620 ( -1.622 0.188 -1.010) 1.920 8.078 ( -2.050 1.106 1.517) 2.779 8.204 ( 0.576 -0.495 1.849) 1.999 16.549 ( 2.319 -0.492 4.016) 4.663 16.719 ( 1.315 -1.371 0.463) 1.956 16.744 ( 1.209 0.115 0.232) 1.236 17.227 ( -8.050 5.835 -2.797) 10.328 17.314 ( -0.160 0.258 -0.023) 0.305 17.822 ( 6.140 -4.195 -5.974) 9.539======================= Grid point 144 (36/116) =======================q-point: ( 0.30 0.30 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.090 ( 0.903 1.292 6.151) 6.350 1.608 ( 3.775 5.183 1.170) 6.518 1.726 ( -2.278 -3.106 0.430) 3.876 1.792 ( 4.043 5.999 2.218) 7.566 1.936 ( -1.608 -0.735 0.852) 1.963 2.084 ( -4.014 -6.903 -1.245) 8.082 2.593 ( 3.647 6.870 1.839) 7.993 2.727 ( -1.115 -3.331 0.572) 3.559 2.826 ( 1.214 4.107 1.150) 4.434 2.905 ( -0.097 -1.505 0.208) 1.523 3.047 ( -0.730 -1.256 1.372) 1.998 3.101 ( -0.443 -0.957 -2.774) 2.967 5.874 ( 2.548 4.228 -1.302) 5.105 5.914 ( -0.221 -0.362 -8.968) 8.978 6.008 ( -2.664 -4.275 0.524) 5.064 6.879 ( 0.818 1.541 -2.252) 2.849 6.922 ( -0.745 -1.506 -2.275) 2.829 7.153 ( -0.560 -0.882 6.941) 7.019 7.640 ( 0.315 0.556 -1.029) 1.211 8.124 ( 1.191 2.356 1.742) 3.163 8.180 ( -0.833 -1.857 2.028) 2.873 16.518 ( -0.517 -0.791 4.179) 4.285 16.704 ( 0.089 0.120 0.416) 0.442 16.721 ( -0.631 -1.249 0.353) 1.444 17.299 ( 0.058 -0.059 -0.383) 0.392 17.437 ( 5.486 8.637 -3.435) 10.793 17.664 ( -4.997 -7.574 -5.159) 10.438======================= Grid point 218 (37/116) =======================q-point: ( 0.00 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.567 ( 0.000 0.000 13.330) 13.330 0.567 ( 0.000 0.000 13.330) 13.330 1.024 ( 0.000 -0.000 22.758) 22.758 2.185 ( 0.000 0.000 2.990) 2.990 2.329 ( 0.000 -0.000 -4.900) 4.900 2.329 ( 0.000 0.000 -4.900) 4.900 2.605 ( 0.000 -0.000 0.336) 0.336 2.605 ( 0.000 0.000 0.336) 0.336 2.619 ( 0.000 0.000 4.825) 4.825 2.686 ( 0.000 0.000 0.200) 0.200 2.686 ( 0.000 0.000 0.200) 0.200 3.050 ( 0.000 0.000 -4.232) 4.232 5.921 ( 0.000 -0.000 -8.201) 8.201 5.959 ( 0.000 -0.000 2.410) 2.410 5.959 ( 0.000 0.000 2.410) 2.410 6.852 ( 0.000 -0.000 -4.398) 4.398 6.852 ( 0.000 0.000 -4.398) 4.398 7.398 ( 0.000 -0.000 -1.453) 1.453 7.625 ( 0.000 0.000 3.744) 3.744 8.045 ( 0.000 -0.000 1.858) 1.858 8.045 ( 0.000 0.000 1.858) 1.858 16.750 ( 0.000 0.000 0.118) 0.118 16.750 ( 0.000 -0.000 0.118) 0.118 16.868 ( 0.000 -0.000 -1.685) 1.685 16.868 ( -0.000 0.000 -1.685) 1.685 17.350 ( 0.000 -0.000 -0.186) 0.186 17.877 ( 0.000 0.000 -2.007) 2.007======================= Grid point 219 (38/116) =======================q-point: ( 0.10 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.650 ( 8.516 4.917 11.197) 14.902 0.700 ( 8.675 5.008 11.517) 15.263 1.119 ( 8.310 4.798 18.841) 21.144 2.127 ( -3.803 -2.196 2.326) 4.969 2.235 ( -4.924 -2.843 -4.596) 7.311 2.407 ( -1.166 -0.673 -0.510) 1.440 2.478 ( -5.353 -3.090 3.865) 7.290 2.554 ( -1.395 -0.805 2.359) 2.857 2.673 ( 2.189 1.264 1.819) 3.114 2.715 ( 4.864 2.808 -0.934) 5.693 2.782 ( 5.578 3.221 0.655) 6.474 3.114 ( 3.138 1.811 -8.906) 9.614 5.873 ( -3.653 -2.109 -8.453) 9.447 5.927 ( -2.527 -1.459 2.379) 3.765 5.989 ( 2.173 1.255 2.559) 3.584 6.845 ( -0.723 -0.418 -4.342) 4.422 6.857 ( 0.492 0.284 -4.489) 4.525 7.419 ( 1.743 1.006 -1.469) 2.492 7.580 ( -3.266 -1.886 5.484) 6.656 8.041 ( -0.122 -0.070 1.792) 1.798 8.114 ( 4.776 2.757 0.502) 5.538 16.740 ( -0.771 -0.445 0.315) 0.945 16.740 ( -0.822 -0.474 0.359) 1.014 16.874 ( 0.413 0.238 -1.745) 1.809 16.941 ( 5.569 3.215 -2.191) 6.794 17.353 ( 0.275 0.159 -0.309) 0.443 17.819 ( -4.791 -2.766 -3.013) 6.299======================= Grid point 220 (39/116) =======================q-point: ( 0.20 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 282Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.864 ( 9.715 5.609 10.515) 15.375 0.925 ( 10.817 6.245 8.806) 15.283 1.372 ( 13.284 7.669 9.873) 18.241 2.032 ( -4.487 -2.591 3.221) 6.101 2.114 ( -5.732 -3.310 -2.914) 7.232 2.252 ( -6.706 -3.871 4.277) 8.846 2.495 ( 1.300 0.751 2.235) 2.692 2.542 ( 0.163 0.094 1.550) 1.562 2.727 ( 2.594 1.498 0.496) 3.036 2.826 ( 4.565 2.636 -0.188) 5.275 2.909 ( 5.537 3.197 1.431) 6.552 3.155 ( 0.723 0.417 -11.095) 11.126 5.782 ( -4.068 -2.348 -9.830) 10.894 5.856 ( -3.603 -2.080 2.488) 4.848 6.057 ( 3.764 2.173 2.251) 4.894 6.821 ( -1.367 -0.789 -4.330) 4.609 6.873 ( 0.878 0.507 -4.504) 4.617 7.469 ( 2.561 1.478 -1.507) 3.318 7.502 ( -3.555 -2.053 6.793) 7.937 8.041 ( 0.064 0.037 1.699) 1.701 8.216 ( 3.964 2.289 0.753) 4.639 16.710 ( -1.558 -0.900 1.560) 2.381 16.730 ( -0.298 -0.172 0.141) 0.372 16.883 ( 0.308 0.178 -1.890) 1.923 17.059 ( 4.163 2.404 0.211) 4.812 17.357 ( -0.276 -0.160 0.212) 0.383 17.700 ( -4.849 -2.800 -7.500) 9.360======================= Grid point 221 (40/116) =======================q-point: ( 0.30 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.072 ( 8.819 5.092 10.648) 14.734 1.161 ( 9.849 5.686 6.116) 12.913 1.642 ( 8.596 4.963 1.961) 10.118 1.948 ( -2.157 -1.245 3.647) 4.416 1.987 ( -5.362 -3.095 -0.576) 6.218 2.152 ( -1.715 -0.990 3.203) 3.766 2.498 ( -0.921 -0.531 3.657) 3.808 2.554 ( 0.788 0.455 0.929) 1.301 2.780 ( 1.964 1.134 -1.177) 2.555 2.920 ( 3.884 2.242 -0.191) 4.489 3.023 ( 4.573 2.640 2.509) 5.846 3.150 ( -1.211 -0.699 -8.728) 8.839 5.702 ( -2.917 -1.684 -11.904) 12.371 5.777 ( -3.249 -1.876 2.675) 4.608 6.148 ( 4.178 2.412 1.792) 5.146 6.788 ( -1.490 -0.860 -4.349) 4.677 6.893 ( 0.876 0.505 -4.336) 4.452 7.425 ( -3.208 -1.852 7.242) 8.135 7.525 ( 2.300 1.328 -1.540) 3.070 8.044 ( 0.236 0.136 1.600) 1.623 8.285 ( 2.167 1.251 2.160) 3.306 16.676 ( -1.363 -0.787 3.013) 3.399 16.729 ( 0.168 0.097 0.123) 0.230 16.886 ( -0.038 -0.022 -1.973) 1.973 17.105 ( -0.384 -0.222 3.752) 3.778 17.327 ( -2.088 -1.205 0.428) 2.448 17.643 ( 0.056 0.032 -12.280) 12.281======================= Grid point 222 (41/116) =======================q-point: ( 0.40 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 282Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.242 ( 5.675 3.276 10.359) 12.258 1.333 ( 4.530 2.615 2.592) 5.838 1.697 ( -1.390 -0.803 0.437) 1.664 1.897 ( -1.891 -1.092 3.015) 3.722 1.932 ( -0.947 -0.547 1.326) 1.719 2.218 ( 7.104 4.102 0.652) 8.229 2.472 ( -0.971 -0.561 4.710) 4.842 2.573 ( 0.776 0.448 0.670) 1.119 2.809 ( 0.558 0.322 -2.800) 2.873 2.994 ( 2.501 1.444 -0.727) 2.978 3.098 ( -3.399 -1.962 -4.978) 6.339 3.105 ( 2.594 1.498 3.426) 4.551 5.654 ( -1.431 -0.826 -13.448) 13.549 5.719 ( -1.808 -1.044 2.858) 3.539 6.233 ( 3.124 1.804 1.334) 3.846 6.759 ( -0.973 -0.562 -4.382) 4.524 6.909 ( 0.475 0.274 -3.988) 4.025 7.366 ( -1.917 -1.107 7.359) 7.685 7.567 ( 1.326 0.766 -1.555) 2.183 8.050 ( 0.271 0.156 1.531) 1.563 8.314 ( 0.451 0.261 3.232) 3.274 16.656 ( -0.314 -0.181 4.660) 4.674 16.737 ( 0.500 0.289 0.074) 0.582 16.882 ( -0.300 -0.173 -1.980) 2.010 17.041 ( -4.736 -2.735 3.021) 6.248 17.296 ( -0.439 -0.253 -0.651) 0.825 17.681 ( 2.669 1.541 -11.729) 12.128======================= Grid point 223 (42/116) =======================q-point: (-0.50 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.281 ( -2.657 -1.534 8.953) 9.464 1.333 ( -4.264 -2.462 0.006) 4.923 1.699 ( 2.705 1.562 2.311) 3.885 1.905 ( -0.981 -0.566 0.048) 1.134 1.929 ( 4.417 2.550 6.052) 7.914 2.369 ( 4.629 2.673 -1.669) 5.600 2.458 ( -0.583 -0.337 5.257) 5.300 2.584 ( 0.164 0.095 0.627) 0.655 2.806 ( -0.746 -0.431 -3.981) 4.073 3.015 ( -3.118 -1.800 -0.920) 3.716 3.026 ( 0.207 0.119 -3.027) 3.037 3.133 ( -0.268 -0.155 3.821) 3.834 5.639 ( 0.070 0.040 -14.069) 14.070 5.700 ( 0.184 0.106 2.977) 2.984 6.279 ( 0.827 0.478 1.114) 1.467 6.748 ( -0.019 -0.011 -4.416) 4.416 6.913 ( -0.112 -0.065 -3.645) 3.648 7.346 ( 0.200 0.116 7.262) 7.266 7.582 ( 0.021 0.012 -1.563) 1.563 8.055 ( 0.163 0.094 1.532) 1.543 8.307 ( -0.959 -0.554 3.590) 3.757 16.665 ( 1.135 0.655 6.022) 6.163 16.748 ( 0.408 0.235 0.119) 0.485 16.876 ( -0.214 -0.123 -2.012) 2.028 16.932 ( -4.351 -2.512 0.493) 5.048 17.298 ( 0.432 0.250 -0.446) 0.669 17.741 ( 2.420 1.397 -10.657) 11.017======================= Grid point 225 (43/116) =======================q-point: (-0.40 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 282Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.160 ( -6.998 -4.040 8.571) 11.780 1.181 ( -8.560 -4.942 1.059) 9.941 1.795 ( 4.872 2.813 3.820) 6.800 1.890 ( -0.943 -0.544 -1.020) 1.492 2.057 ( 6.362 3.673 5.894) 9.419 2.360 ( -5.101 -2.945 4.184) 7.225 2.459 ( 0.759 0.438 1.920) 2.110 2.576 ( -0.935 -0.540 0.365) 1.140 2.780 ( -1.471 -0.849 -4.315) 4.637 2.952 ( -3.236 -1.868 -0.224) 3.743 3.048 ( 2.589 1.495 -5.695) 6.432 3.093 ( -3.238 -1.869 3.695) 5.256 5.656 ( 1.427 0.824 -13.730) 13.829 5.726 ( 2.121 1.225 2.998) 3.871 6.266 ( -1.907 -1.101 1.261) 2.538 6.758 ( 0.915 0.528 -4.447) 4.571 6.905 ( -0.503 -0.290 -3.633) 3.679 7.373 ( 2.121 1.224 7.146) 7.554 7.567 ( -1.312 -0.757 -1.567) 2.179 8.057 ( 0.020 0.011 1.612) 1.612 8.274 ( -1.882 -1.086 3.211) 3.877 16.697 ( 1.349 0.779 5.666) 5.876 16.753 ( 0.038 0.022 0.291) 0.295 16.869 ( -0.876 -0.506 0.356) 1.072 16.874 ( 0.076 0.044 -2.110) 2.112 17.312 ( 0.746 0.431 -0.244) 0.896 17.781 ( 1.059 0.611 -10.507) 10.578======================= Grid point 226 (44/116) =======================q-point: (-0.30 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.972 ( -9.783 -5.648 3.660) 11.874 1.000 ( -7.011 -4.048 10.687) 13.407 1.788 ( -9.766 -5.639 2.171) 11.484 1.897 ( 3.947 2.279 1.976) 4.968 2.198 ( 6.154 3.553 4.718) 8.530 2.274 ( 0.218 0.126 6.708) 6.713 2.462 ( -0.705 -0.407 1.382) 1.603 2.543 ( -1.956 -1.129 -0.586) 2.333 2.744 ( -1.729 -0.998 -3.414) 3.955 2.856 ( -5.039 -2.909 -0.106) 5.819 2.994 ( -5.401 -3.118 3.237) 7.026 3.129 ( 3.749 2.165 -8.777) 9.787 5.701 ( 2.611 1.508 -12.430) 12.791 5.790 ( 3.408 1.968 2.918) 4.899 6.198 ( -4.029 -2.326 1.562) 4.908 6.785 ( 1.404 0.811 -4.477) 4.761 6.892 ( -0.675 -0.390 -3.932) 4.009 7.433 ( 3.143 1.815 7.061) 7.940 7.526 ( -2.322 -1.341 -1.555) 3.100 8.056 ( -0.080 -0.046 1.732) 1.734 8.226 ( -2.376 -1.372 2.231) 3.536 16.714 ( 0.366 0.212 2.468) 2.504 16.752 ( -0.084 -0.048 0.426) 0.437 16.877 ( 0.076 0.044 -2.136) 2.138 16.893 ( 2.457 1.419 2.774) 3.969 17.331 ( 0.962 0.556 0.034) 1.112 17.790 ( -0.106 -0.061 -10.383) 10.384======================= Grid point 227 (45/116) =======================q-point: (-0.20 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 282Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.759 ( -8.940 -5.161 7.198) 12.585 0.854 ( -6.070 -3.504 13.272) 15.009 1.474 ( -16.400 -9.469 8.608) 20.802 1.984 ( 4.094 2.364 0.743) 4.786 2.328 ( 5.202 3.003 2.950) 6.692 2.368 ( 5.875 3.392 6.793) 9.600 2.429 ( -1.132 -0.654 -0.195) 1.322 2.496 ( -1.901 -1.098 -1.585) 2.708 2.705 ( -1.634 -0.943 -1.785) 2.597 2.743 ( -4.689 -2.707 0.067) 5.415 2.861 ( -6.233 -3.599 2.800) 7.723 3.183 ( 0.530 0.306 -10.429) 10.447 5.771 ( 3.672 2.120 -10.221) 11.065 5.870 ( 3.525 2.035 2.759) 4.917 6.097 ( -4.691 -2.708 1.682) 5.672 6.817 ( 1.323 0.764 -4.492) 4.745 6.876 ( -0.744 -0.430 -4.220) 4.307 7.469 ( -2.576 -1.487 -1.516) 3.338 7.508 ( 3.399 1.963 6.701) 7.766 8.054 ( -0.144 -0.083 1.832) 1.840 8.168 ( -2.889 -1.668 0.997) 3.481 16.724 ( 0.566 0.327 0.760) 1.002 16.751 ( 0.050 0.029 0.409) 0.413 16.876 ( -0.179 -0.103 -2.017) 2.028 16.940 ( 0.965 0.557 1.687) 2.022 17.350 ( 0.555 0.320 0.037) 0.641 17.792 ( 0.768 0.443 -8.000) 8.049======================= Grid point 228 (46/116) =======================q-point: (-0.10 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.596 ( -4.939 -2.852 11.306) 12.663 0.710 ( -7.388 -4.265 13.087) 15.622 1.143 ( -11.129 -6.425 17.674) 21.852 2.092 ( 5.703 3.293 0.608) 6.613 2.346 ( -3.103 -1.792 -1.139) 3.760 2.386 ( -1.029 -0.594 -2.671) 2.923 2.507 ( 3.867 2.232 1.445) 4.693 2.561 ( 6.939 4.006 3.886) 8.905 2.665 ( -1.475 -0.851 0.436) 1.758 2.675 ( -1.009 -0.582 -0.521) 1.276 2.726 ( -5.508 -3.180 2.929) 7.002 3.137 ( -4.587 -2.648 -8.987) 10.432 5.861 ( 4.074 2.352 -7.853) 9.154 5.936 ( 2.184 1.261 2.565) 3.597 6.003 ( -3.460 -1.997 1.474) 4.258 6.841 ( 0.827 0.477 -4.465) 4.566 6.860 ( -0.584 -0.337 -4.347) 4.399 7.419 ( -1.741 -1.005 -1.471) 2.491 7.582 ( 3.088 1.783 5.422) 6.489 8.050 ( -0.198 -0.114 1.876) 1.890 8.096 ( -3.470 -2.003 0.650) 4.059 16.738 ( 0.631 0.364 0.224) 0.762 16.753 ( 0.045 0.026 0.261) 0.266 16.870 ( -0.246 -0.142 -1.815) 1.837 16.918 ( -2.738 -1.581 -1.405) 3.460 17.353 ( -0.185 -0.107 -0.283) 0.354 17.835 ( 2.780 1.605 -3.513) 4.758======================= Grid point 230 (47/116) =======================q-point: ( 0.10 0.10 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.765 ( 9.937 8.071 8.350) 15.284 0.833 ( 5.745 6.494 12.642) 15.329 1.335 ( 5.064 16.093 11.451) 20.390 2.025 ( -1.046 -5.484 0.931) 5.660 2.258 ( -10.554 0.485 -0.479) 10.576 2.320 ( -5.629 -4.017 3.217) 7.627 2.448 ( 1.693 -2.393 2.399) 3.788 2.578 ( 2.150 2.663 1.097) 3.594 2.665 ( 1.475 -0.888 0.997) 1.989 2.774 ( 5.495 2.936 -1.398) 6.385 2.849 ( 5.510 5.191 2.112) 7.859 3.165 ( -0.801 1.568 -10.732) 10.876 5.790 ( -2.295 -4.676 -8.238) 9.746 5.913 ( -1.140 -1.656 0.953) 2.225 6.033 ( 0.022 3.585 2.452) 4.343 6.828 ( -0.443 -1.189 -4.405) 4.584 6.868 ( 0.203 0.716 -4.402) 4.465 7.454 ( 1.440 2.495 -1.483) 3.240 7.525 ( -2.200 -3.367 6.504) 7.647 8.048 ( -0.322 0.621 1.815) 1.945 8.170 ( 3.670 2.653 0.572) 4.564 16.712 ( -1.259 -1.392 1.004) 2.128 16.752 ( -0.668 0.566 0.101) 0.881 16.873 ( 0.297 -0.439 -1.328) 1.429 16.993 ( 5.173 1.327 -0.558) 5.370 17.355 ( 0.092 -0.232 -0.083) 0.263 17.765 ( -4.605 -1.938 -6.315) 8.052======================= Grid point 231 (48/116) =======================q-point: ( 0.20 0.10 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.986 ( 7.444 6.286 11.083) 14.757 1.056 ( 11.588 8.093 6.516) 15.564 1.578 ( 6.215 11.358 4.253) 13.628 1.951 ( -1.907 -4.354 2.090) 5.193 2.096 ( -7.072 -0.142 1.542) 7.240 2.198 ( -5.917 -1.361 2.599) 6.604 2.461 ( 2.197 -2.221 2.352) 3.910 2.617 ( -2.748 5.677 1.729) 6.539 2.714 ( 5.575 -1.569 0.345) 5.801 2.877 ( 3.808 1.820 -0.948) 4.326 2.983 ( 4.511 4.591 2.427) 6.879 3.150 ( -0.718 -1.597 -10.159) 10.309 5.713 ( -2.004 -3.436 -9.869) 10.640 5.856 ( -4.645 0.696 0.841) 4.772 6.088 ( 3.606 1.094 2.308) 4.419 6.804 ( -1.141 -0.879 -4.332) 4.565 6.881 ( 0.731 0.311 -4.412) 4.483 7.452 ( -2.678 -2.954 7.105) 8.148 7.508 ( 1.838 2.399 -1.546) 3.395 8.053 ( -0.216 1.217 1.771) 2.160 8.247 ( 3.235 0.921 1.599) 3.725 16.679 ( -0.876 -1.563 2.142) 2.792 16.741 ( -1.034 0.554 0.269) 1.204 16.869 ( 0.455 -1.866 -0.591) 2.010 17.084 ( 3.902 0.693 1.095) 4.112 17.344 ( -0.927 -1.088 0.554) 1.533 17.675 ( -4.036 -0.006 -10.536) 11.282======================= Grid point 232 (49/116) =======================q-point: ( 0.30 0.10 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.162 ( 7.270 3.977 10.590) 13.447 1.308 ( 6.999 9.334 4.229) 12.410 1.692 ( 0.659 0.222 0.249) 0.738 1.894 ( -0.565 -3.067 1.252) 3.361 2.001 ( -6.885 1.416 2.283) 7.391 2.161 ( 3.333 2.437 2.084) 4.625 2.472 ( 0.671 -0.560 3.664) 3.767 2.618 ( -2.712 4.934 1.280) 5.774 2.785 ( 3.030 -0.030 -1.121) 3.231 2.946 ( 3.623 0.206 -0.644) 3.686 3.081 ( 2.611 2.777 2.586) 4.606 3.111 ( -1.197 -3.098 -6.666) 7.447 5.661 ( -1.135 -1.758 -11.902) 12.085 5.786 ( -4.893 1.917 1.543) 5.477 6.163 ( 4.908 -1.000 1.744) 5.303 6.777 ( -1.324 -0.152 -4.341) 4.541 6.896 ( 0.880 -0.288 -4.234) 4.334 7.383 ( -2.165 -2.317 7.364) 8.017 7.557 ( 1.347 1.838 -1.586) 2.776 8.063 ( -0.394 1.825 1.737) 2.550 8.292 ( 1.855 -0.404 2.775) 3.362 16.654 ( -0.420 -1.094 3.713) 3.893 16.734 ( -0.119 0.088 0.372) 0.401 16.850 ( 0.419 -3.581 0.020) 3.605 17.122 ( -1.781 2.739 1.345) 3.533 17.307 ( -1.572 -0.768 -0.313) 1.778 17.648 ( 0.871 -0.292 -11.865) 11.900======================= Grid point 233 (50/116) =======================q-point: ( 0.40 0.10 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.276 ( 2.466 0.188 9.835) 10.141 1.417 ( -3.176 5.689 0.925) 6.580 1.700 ( 0.247 2.229 1.158) 2.524 1.875 ( 2.250 -1.638 2.162) 3.524 1.912 ( -2.232 -1.417 3.337) 4.257 2.285 ( 6.656 0.703 -1.457) 6.850 2.480 ( -0.747 2.487 5.100) 5.723 2.625 ( -2.174 4.484 0.610) 5.021 2.810 ( 0.378 -0.104 -2.577) 2.607 2.999 ( 2.558 -0.754 -0.828) 2.792 3.041 ( -2.610 -3.502 -4.100) 5.990 3.130 ( 0.745 0.705 3.707) 3.846 5.640 ( -0.293 -0.387 -13.678) 13.686 5.740 ( -3.112 2.856 2.571) 4.945 6.222 ( 4.111 -2.933 1.354) 5.229 6.760 ( -0.937 0.690 -4.393) 4.544 6.903 ( 0.632 -0.868 -3.931) 4.075 7.342 ( -0.500 -1.237 7.386) 7.506 7.585 ( 0.278 1.077 -1.593) 1.942 8.073 ( -0.776 2.184 1.729) 2.891 8.303 ( 0.424 -1.331 3.439) 3.712 16.649 ( 0.746 -0.415 5.351) 5.418 16.739 ( 0.650 -0.180 0.297) 0.737 16.815 ( 0.447 -4.915 0.235) 4.941 17.082 ( -6.912 5.697 -1.190) 9.036 17.294 ( 0.225 -0.034 -0.576) 0.619 17.683 ( 3.866 -1.690 -10.655) 11.460======================= Grid point 234 (51/116) =======================q-point: (-0.50 0.10 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.228 ( -5.222 -2.842 8.204) 10.132 1.344 ( -10.209 3.223 0.907) 10.744 1.743 ( 3.074 2.096 2.994) 4.775 1.870 ( 0.855 -2.869 -0.231) 3.002 1.986 ( 6.303 3.454 5.954) 9.333 2.355 ( 3.855 -4.860 -1.406) 6.360 2.471 ( -3.866 2.033 4.998) 6.638 2.623 ( -2.774 3.422 0.403) 4.423 2.809 ( -0.783 0.930 -2.896) 3.140 2.968 ( -2.082 -3.120 -0.877) 3.852 3.020 ( 1.492 -0.397 -4.179) 4.455 3.124 ( -1.520 -0.499 3.808) 4.130 5.641 ( 0.606 0.106 -13.824) 13.837 5.741 ( -0.668 4.012 2.666) 4.863 6.237 ( 1.921 -4.578 1.335) 5.141 6.760 ( -0.160 1.184 -4.426) 4.585 6.901 ( 0.261 -1.081 -3.759) 3.920 7.346 ( 1.636 -0.118 7.278) 7.460 7.586 ( -1.032 0.321 -1.601) 1.931 8.078 ( -1.159 2.064 1.771) 2.956 8.285 ( -0.737 -1.606 3.416) 3.845 16.669 ( 1.785 -0.318 6.150) 6.412 16.749 ( 0.657 -0.039 0.290) 0.719 16.781 ( 1.382 -4.335 0.046) 4.550 17.026 ( -6.753 7.028 -2.499) 10.062 17.304 ( 0.644 0.285 -0.373) 0.797 17.729 ( 3.822 -2.604 -10.132) 11.138======================= Grid point 235 (52/116) =======================q-point: (-0.40 0.10 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.093 ( -7.581 -1.688 9.253) 12.080 1.163 ( -13.504 2.058 2.636) 13.912 1.822 ( 2.486 -2.062 3.489) 4.755 1.856 ( 0.831 -0.683 -0.764) 1.319 2.110 ( 4.582 1.263 5.290) 7.112 2.314 ( -1.751 -3.359 3.879) 5.422 2.424 ( -0.831 -1.844 1.729) 2.661 2.603 ( -3.144 3.285 0.437) 4.568 2.798 ( -2.670 1.705 -1.609) 3.553 2.888 ( -3.123 -4.045 -0.652) 5.151 3.068 ( -4.395 -0.473 3.084) 5.389 3.075 ( 3.969 1.122 -7.320) 8.401 5.664 ( 2.063 0.070 -12.345) 12.516 5.789 ( 1.084 4.677 1.849) 5.145 6.198 ( -0.645 -5.464 1.646) 5.743 6.776 ( 0.695 1.120 -4.427) 4.619 6.893 ( -0.090 -0.838 -3.913) 4.003 7.390 ( 3.215 0.495 7.193) 7.894 7.558 ( -2.271 -0.254 -1.602) 2.791 8.074 ( -1.250 1.290 1.847) 2.577 8.252 ( -1.638 -0.905 2.745) 3.322 16.685 ( 1.217 -1.689 3.768) 4.305 16.758 ( 0.316 -0.072 0.016) 0.324 16.797 ( 3.533 -1.047 1.875) 4.134 16.996 ( -4.740 6.684 -1.787) 8.387 17.320 ( 0.925 0.363 -0.127) 1.002 17.753 ( 2.400 -3.245 -10.409) 11.164======================= Grid point 236 (53/116) =======================q-point: (-0.30 0.10 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.952 ( -13.758 3.201 5.068) 15.007 0.956 ( -7.940 -0.283 11.823) 14.245 1.657 ( -13.356 -6.705 4.212) 15.527 1.932 ( 4.369 1.394 1.586) 4.852 2.178 ( 6.749 -2.893 4.752) 8.747 2.319 ( 3.757 -4.184 3.647) 6.702 2.401 ( -0.238 1.077 0.394) 1.171 2.593 ( -2.961 5.435 0.637) 6.222 2.725 ( -3.816 -4.293 0.796) 5.799 2.821 ( -3.789 2.070 -2.113) 4.807 2.965 ( -7.040 -0.011 2.824) 7.585 3.150 ( 3.229 0.152 -9.881) 10.396 5.713 ( 3.750 0.065 -10.401) 11.056 5.858 ( 1.943 3.742 1.299) 4.412 6.118 ( -2.547 -4.927 2.054) 5.915 6.802 ( 1.234 0.697 -4.425) 4.646 6.882 ( -0.471 -0.475 -4.200) 4.253 7.456 ( 3.891 0.448 7.014) 8.034 7.509 ( -3.005 -0.419 -1.542) 3.404 8.062 ( -0.904 0.121 1.874) 2.084 8.214 ( -2.655 0.547 1.645) 3.171 16.691 ( 1.554 -1.384 1.862) 2.793 16.759 ( -0.025 -0.217 -0.040) 0.222 16.850 ( 2.422 0.173 0.834) 2.568 16.995 ( -2.693 5.569 0.045) 6.186 17.341 ( 1.023 0.389 0.188) 1.111 17.752 ( 1.802 -3.561 -9.880) 10.656======================= Grid point 241 (54/116) =======================q-point: ( 0.20 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 504Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.097 ( 5.466 5.445 10.684) 13.179 1.241 ( 11.736 10.414 3.569) 16.091 1.734 ( -3.198 3.783 0.842) 5.024 1.872 ( -0.763 -3.676 1.516) 4.049 2.111 ( -1.309 0.741 4.191) 4.453 2.190 ( -7.518 0.594 1.381) 7.667 2.441 ( 2.981 0.998 2.762) 4.185 2.689 ( 4.453 0.068 0.710) 4.510 2.746 ( -1.792 6.242 1.623) 6.694 2.889 ( 3.068 -0.356 -1.563) 3.462 3.069 ( 2.657 3.721 2.857) 5.392 3.094 ( -1.075 -3.760 -8.344) 9.215 5.663 ( -1.119 -1.757 -11.668) 11.853 5.857 ( -0.218 -0.720 0.995) 1.248 6.108 ( -0.934 1.122 2.248) 2.680 6.790 ( -0.268 -0.488 -4.324) 4.360 6.883 ( 0.061 -0.123 -4.272) 4.274 7.392 ( -1.956 -3.001 7.308) 8.139 7.555 ( 1.274 2.278 -1.628) 3.076 8.085 ( 0.516 1.910 2.033) 2.837 8.256 ( 1.746 0.104 2.439) 3.001 16.658 ( -1.242 -0.587 3.189) 3.473 16.744 ( -1.126 -0.369 0.343) 1.233 16.813 ( -0.090 -3.504 1.800) 3.940 17.108 ( 5.824 1.999 -1.352) 6.304 17.323 ( -0.807 -0.920 0.022) 1.224 17.677 ( -4.477 -0.336 -10.766) 11.664======================= Grid point 242 (55/116) =======================q-point: ( 0.30 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.224 ( 4.327 2.399 9.958) 11.119 1.500 ( 4.730 9.699 2.481) 11.072 1.702 ( 0.255 2.108 1.036) 2.362 1.832 ( -0.126 -3.460 0.865) 3.569 2.000 ( -9.029 -0.682 2.956) 9.525 2.181 ( 3.808 -2.815 0.053) 4.736 2.515 ( 1.692 5.402 3.681) 6.752 2.723 ( -2.226 4.825 0.511) 5.338 2.789 ( 1.410 0.930 0.211) 1.702 2.931 ( 3.607 -1.487 -0.831) 3.989 3.037 ( -1.345 -3.711 -6.136) 7.296 3.124 ( 0.986 1.117 3.532) 3.833 5.640 ( -0.352 -0.512 -13.234) 13.249 5.837 ( -3.346 3.320 1.863) 5.068 6.115 ( 3.056 -3.705 1.893) 5.162 6.785 ( -0.654 0.934 -4.331) 4.479 6.881 ( 0.464 -1.206 -4.249) 4.441 7.340 ( -1.156 -2.011 7.476) 7.828 7.591 ( 0.649 1.495 -1.645) 2.316 8.112 ( -0.289 3.048 2.174) 3.755 8.272 ( 1.114 -1.612 3.077) 3.648 16.639 ( -0.309 -0.473 4.839) 4.872 16.727 ( 0.033 -0.778 0.746) 1.078 16.776 ( -0.349 -3.402 1.164) 3.613 17.208 ( 0.845 5.798 -2.662) 6.436 17.298 ( -1.287 -0.204 -0.564) 1.420 17.614 ( -0.273 -3.365 -10.134) 10.682======================= Grid point 243 (56/116) =======================q-point: ( 0.40 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 504Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.262 ( -0.852 -0.938 9.148) 9.236 1.542 ( -6.174 6.835 1.276) 9.298 1.774 ( -3.508 4.134 0.428) 5.439 1.813 ( 1.882 -4.292 1.169) 4.831 1.919 ( 4.076 2.766 5.399) 7.308 2.206 ( 5.435 -8.000 -1.077) 9.732 2.570 ( -2.717 5.484 3.388) 6.995 2.718 ( -3.287 3.718 0.036) 4.963 2.811 ( 0.956 0.935 -0.279) 1.366 2.963 ( -0.146 -3.381 -0.135) 3.387 2.986 ( 0.925 -1.408 -5.615) 5.863 3.133 ( -0.105 -0.152 3.916) 3.920 5.636 ( 0.073 -0.051 -14.048) 14.048 5.822 ( -3.227 5.426 2.504) 6.791 6.129 ( 4.067 -6.137 1.671) 7.550 6.785 ( -0.941 1.695 -4.402) 4.810 6.877 ( 0.844 -1.673 -4.116) 4.523 7.321 ( 0.605 -0.886 7.491) 7.567 7.604 ( -0.398 0.725 -1.650) 1.846 8.128 ( -1.534 3.232 2.240) 4.220 8.266 ( 0.639 -2.274 3.305) 4.062 16.641 ( 0.969 -0.475 6.182) 6.276 16.728 ( 0.725 -1.115 0.559) 1.443 16.743 ( 0.137 -1.869 0.521) 1.945 17.216 ( -6.904 7.328 -4.052) 10.852 17.296 ( 0.619 0.503 -0.649) 1.029 17.613 ( 4.898 -5.275 -9.123) 11.621======================= Grid point 245 (57/116) =======================q-point: (-0.50 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.197 ( -5.403 -0.099 9.245) 10.708 1.435 ( -13.342 5.431 1.809) 14.518 1.753 ( 1.404 -2.037 2.498) 3.516 1.819 ( 2.468 -1.011 0.015) 2.667 2.059 ( 4.985 3.473 5.172) 7.979 2.210 ( 4.384 -8.591 -1.074) 9.704 2.513 ( -6.878 1.532 3.495) 7.866 2.698 ( -3.269 3.909 0.422) 5.113 2.834 ( -0.662 0.179 0.978) 1.194 2.894 ( -1.872 -2.839 -1.587) 3.753 3.022 ( 3.091 0.618 -6.340) 7.081 3.120 ( -1.701 0.064 3.581) 3.965 5.641 ( 0.676 -0.037 -13.318) 13.335 5.835 ( -1.189 4.503 1.930) 5.042 6.127 ( 2.338 -5.366 1.870) 6.144 6.785 ( -0.505 1.021 -4.373) 4.519 6.879 ( 0.759 -0.845 -4.126) 4.279 7.342 ( 2.433 -0.187 7.410) 7.801 7.591 ( -1.599 0.150 -1.653) 2.304 8.118 ( -2.326 1.404 2.230) 3.515 8.257 ( 0.134 -0.667 3.035) 3.110 16.652 ( 1.013 -1.157 5.265) 5.485 16.729 ( 1.409 -0.891 0.513) 1.744 16.757 ( 1.807 0.532 1.209) 2.238 17.159 ( -6.967 5.857 -3.531) 9.763 17.309 ( 0.573 0.152 -0.436) 0.736 17.654 ( 4.822 -4.384 -9.618) 11.618======================= Grid point 253 (58/116) =======================q-point: ( 0.30 0.30 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.256 ( 0.922 0.946 9.204) 9.298 1.643 ( 3.381 4.650 2.111) 6.125 1.746 ( -1.320 -2.386 1.581) 3.152 1.825 ( 5.631 7.564 0.635) 9.451 1.992 ( -6.208 -1.001 4.507) 7.736 2.053 ( -1.873 -8.360 -1.356) 8.674 2.637 ( 2.926 5.681 2.150) 6.743 2.739 ( -0.380 -2.112 0.485) 2.200 2.853 ( 0.021 3.360 1.249) 3.585 2.904 ( 1.363 -0.466 -0.865) 1.680 2.976 ( -1.347 -2.482 -5.912) 6.552 3.132 ( 0.038 -0.036 3.904) 3.904 5.636 ( -0.054 -0.073 -14.019) 14.019 5.909 ( 2.322 3.743 2.146) 4.900 6.032 ( -2.694 -4.187 2.019) 5.373 6.810 ( 0.807 1.471 -4.358) 4.670 6.853 ( -0.809 -1.518 -4.306) 4.637 7.311 ( -0.506 -0.830 7.574) 7.636 7.611 ( 0.310 0.549 -1.671) 1.786 8.171 ( 1.317 2.736 2.647) 4.028 8.234 ( -0.818 -2.031 3.045) 3.750 16.632 ( -0.394 -0.320 6.389) 6.409 16.714 ( 0.121 -0.080 0.584) 0.601 16.731 ( -0.684 -1.341 0.570) 1.609 17.288 ( 0.848 0.430 -0.814) 1.252 17.342 ( 3.910 6.101 -5.209) 8.924 17.521 ( -4.308 -5.703 -8.113) 10.812======================= Grid point 327 (59/116) =======================q-point: ( 0.00 0.00 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 110Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.832 ( -0.000 0.000 11.982) 11.982 0.832 ( 0.000 -0.000 11.982) 11.982 1.459 ( 0.000 -0.000 18.789) 18.789 2.211 ( 0.000 -0.000 -6.271) 6.271 2.211 ( 0.000 0.000 -6.271) 6.271 2.255 ( 0.000 0.000 3.642) 3.642 2.616 ( 0.000 -0.000 0.656) 0.656 2.616 ( 0.000 0.000 0.656) 0.656 2.685 ( -0.000 0.000 -0.326) 0.326 2.685 ( 0.000 -0.000 -0.326) 0.326 2.722 ( 0.000 0.000 4.738) 4.738 2.940 ( 0.000 0.000 -6.320) 6.320 5.755 ( 0.000 0.000 -7.367) 7.367 6.027 ( 0.000 0.000 4.022) 4.022 6.027 ( 0.000 0.000 4.022) 4.022 6.744 ( 0.000 -0.000 -5.823) 5.823 6.744 ( 0.000 0.000 -5.823) 5.823 7.367 ( 0.000 -0.000 -1.494) 1.494 7.695 ( 0.000 0.000 2.849) 2.849 8.085 ( 0.000 -0.000 1.815) 1.815 8.085 ( 0.000 0.000 1.815) 1.815 16.754 ( 0.000 -0.000 0.212) 0.212 16.754 ( 0.000 0.000 0.212) 0.212 16.831 ( -0.000 -0.000 -1.776) 1.776 16.831 ( 0.000 0.000 -1.776) 1.776 17.347 ( 0.000 0.000 -0.120) 0.120 17.834 ( 0.000 0.000 -2.049) 2.049======================= Grid point 328 (60/116) =======================q-point: ( 0.10 0.00 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.887 ( 6.543 3.777 11.285) 13.581 0.935 ( 6.509 3.758 10.620) 13.011 1.493 ( 3.176 1.833 16.360) 16.766 2.131 ( -3.587 -2.071 -5.141) 6.602 2.162 ( -3.117 -1.800 0.479) 3.631 2.376 ( 4.360 2.517 -1.526) 5.261 2.531 ( -5.470 -3.158 1.355) 6.460 2.594 ( -1.459 -0.842 1.409) 2.196 2.696 ( 0.920 0.531 0.116) 1.068 2.697 ( 3.503 2.022 -0.647) 4.096 2.816 ( 5.830 3.366 2.606) 7.219 2.956 ( 0.553 0.319 -6.852) 6.881 5.703 ( -4.220 -2.436 -7.515) 8.957 5.994 ( -2.455 -1.417 4.059) 4.951 6.059 ( 2.327 1.343 4.090) 4.893 6.738 ( -0.691 -0.399 -5.775) 5.830 6.747 ( 0.468 0.270 -5.847) 5.872 7.387 ( 1.714 0.989 -1.510) 2.489 7.672 ( -1.933 -1.116 3.434) 4.096 8.080 ( -0.164 -0.095 1.838) 1.848 8.135 ( 3.948 2.280 1.304) 4.742 16.744 ( -0.455 -0.263 0.291) 0.601 16.751 ( -0.488 -0.282 0.476) 0.738 16.836 ( 0.279 0.161 -1.850) 1.878 16.890 ( 5.086 2.937 -2.490) 6.379 17.347 ( 0.037 0.022 -0.261) 0.264 17.769 ( -5.650 -3.262 -1.967) 6.814======================= Grid point 329 (61/116) =======================q-point: ( 0.20 0.00 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.076 ( 9.438 5.449 9.917) 14.735 1.105 ( 8.226 4.749 8.045) 12.448 1.599 ( 5.938 3.428 10.765) 12.763 2.052 ( -3.411 -1.969 -2.791) 4.827 2.090 ( -3.401 -1.963 2.087) 4.447 2.311 ( -6.642 -3.835 1.869) 7.894 2.537 ( 3.131 1.808 1.282) 3.836 2.572 ( -0.439 -0.253 1.173) 1.278 2.722 ( 1.191 0.688 -0.976) 1.687 2.802 ( 5.057 2.920 -2.032) 6.183 2.952 ( 6.215 3.588 2.607) 7.636 2.959 ( 0.179 0.103 -7.451) 7.454 5.588 ( -5.592 -3.228 -8.448) 10.633 5.926 ( -3.429 -1.980 4.216) 5.784 6.126 ( 3.591 2.073 4.262) 5.946 6.715 ( -1.371 -0.792 -5.756) 5.970 6.764 ( 0.953 0.550 -5.812) 5.915 7.436 ( 2.523 1.457 -1.548) 3.299 7.617 ( -2.817 -1.626 4.297) 5.389 8.078 ( -0.019 -0.011 1.801) 1.801 8.237 ( 4.608 2.660 1.098) 5.433 16.736 ( -0.267 -0.154 0.380) 0.489 16.738 ( -0.563 -0.325 1.127) 1.301 16.841 ( 0.180 0.104 -2.001) 2.012 17.029 ( 6.644 3.836 -2.760) 8.153 17.349 ( 0.209 0.121 -0.669) 0.712 17.599 ( -8.982 -5.186 -2.573) 10.686======================= Grid point 330 (62/116) =======================q-point: ( 0.30 0.00 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.278 ( 6.624 3.824 4.606) 8.928 1.283 ( 8.815 5.089 9.335) 13.811 1.717 ( 3.232 1.866 4.479) 5.830 1.988 ( -1.916 -1.106 0.959) 2.411 2.016 ( -2.831 -1.635 2.722) 4.254 2.198 ( -2.493 -1.439 1.672) 3.329 2.572 ( 0.382 0.221 0.707) 0.833 2.580 ( 0.652 0.376 3.738) 3.813 2.741 ( 0.387 0.223 -2.492) 2.532 2.899 ( 3.560 2.056 -1.913) 4.535 2.978 ( 1.296 0.748 -7.211) 7.365 3.084 ( 5.344 3.086 3.102) 6.907 5.471 ( -4.602 -2.657 -9.998) 11.323 5.851 ( -3.057 -1.765 4.420) 5.657 6.211 ( 3.814 2.202 4.196) 6.083 6.681 ( -1.519 -0.877 -5.770) 6.030 6.787 ( 1.094 0.632 -5.694) 5.832 7.492 ( 2.275 1.314 -1.582) 3.067 7.552 ( -2.833 -1.636 4.895) 5.887 8.080 ( 0.140 0.081 1.708) 1.715 8.326 ( 3.222 1.860 1.753) 4.113 16.731 ( 0.010 0.006 2.156) 2.156 16.734 ( 0.107 0.062 0.363) 0.383 16.843 ( -0.072 -0.042 -2.089) 2.091 17.155 ( 3.586 2.070 0.458) 4.165 17.337 ( -3.698 -2.135 0.554) 4.306 17.420 ( -3.424 -1.977 -8.158) 9.065======================= Grid point 331 (63/116) =======================q-point: ( 0.40 0.00 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.371 ( 1.258 0.726 0.949) 1.735 1.450 ( 5.157 2.977 9.032) 10.818 1.721 ( -1.191 -0.687 1.708) 2.192 1.963 ( -2.404 -1.388 1.506) 3.159 1.986 ( 1.981 1.144 5.441) 5.903 2.220 ( 3.872 2.235 -0.068) 4.471 2.583 ( 0.011 0.007 5.379) 5.379 2.585 ( 0.657 0.380 0.466) 0.891 2.736 ( -0.886 -0.511 -4.188) 4.311 2.953 ( 0.826 0.477 -3.393) 3.525 3.001 ( 0.774 0.447 -3.686) 3.793 3.181 ( 3.086 1.781 3.578) 5.049 5.390 ( -2.489 -1.437 -11.391) 11.748 5.797 ( -1.672 -0.965 4.584) 4.974 6.287 ( 2.720 1.570 3.862) 4.978 6.652 ( -1.011 -0.584 -5.805) 5.921 6.809 ( 0.778 0.449 -5.470) 5.543 7.498 ( -1.809 -1.045 5.226) 5.628 7.533 ( 1.312 0.758 -1.605) 2.207 8.084 ( 0.207 0.120 1.602) 1.619 8.376 ( 1.186 0.685 2.621) 2.957 16.740 ( 0.429 0.248 0.251) 0.556 16.744 ( 1.232 0.711 3.536) 3.812 16.839 ( -0.286 -0.165 -2.086) 2.112 17.101 ( -7.450 -4.301 2.658) 9.004 17.276 ( 0.401 0.232 -1.609) 1.674 17.451 ( 3.208 1.852 -9.417) 10.120======================= Grid point 332 (64/116) =======================q-point: (-0.50 0.00 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.336 ( -3.925 -2.266 0.274) 4.540 1.456 ( -3.941 -2.275 7.329) 8.627 1.765 ( 4.937 2.850 3.768) 6.833 1.908 ( -2.238 -1.292 0.295) 2.601 2.070 ( 5.024 2.901 7.323) 9.342 2.321 ( 4.238 2.447 -2.547) 5.517 2.580 ( -0.685 -0.396 5.887) 5.940 2.595 ( -0.092 -0.053 0.299) 0.317 2.706 ( -1.524 -0.880 -5.571) 5.843 2.937 ( -1.526 -0.881 -3.840) 4.225 3.006 ( -0.753 -0.435 -1.328) 1.587 3.215 ( -0.155 -0.090 3.824) 3.828 5.362 ( -0.048 -0.028 -11.994) 11.995 5.780 ( 0.223 0.129 4.648) 4.655 6.325 ( 0.635 0.367 3.464) 3.541 6.639 ( -0.053 -0.031 -5.845) 5.846 6.819 ( 0.039 0.023 -5.276) 5.277 7.478 ( 0.088 0.051 5.271) 5.272 7.548 ( 0.011 0.006 -1.621) 1.621 8.088 ( 0.169 0.097 1.537) 1.549 8.380 ( -0.798 -0.461 3.192) 3.322 16.751 ( 0.464 0.268 0.178) 0.565 16.786 ( 2.318 1.338 5.167) 5.819 16.832 ( -0.267 -0.154 -2.083) 2.105 16.942 ( -5.821 -3.361 0.484) 6.739 17.290 ( 0.624 0.360 -0.378) 0.814 17.520 ( 2.565 1.481 -9.945) 10.377======================= Grid point 334 (65/116) =======================q-point: (-0.40 0.00 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.218 ( -6.263 -3.616 2.377) 7.612 1.345 ( -5.140 -2.968 8.840) 10.648 1.846 ( -0.796 -0.459 -0.789) 1.211 1.902 ( 3.831 2.212 3.817) 5.843 2.189 ( 5.323 3.073 6.630) 9.041 2.381 ( 0.691 0.399 -1.630) 1.815 2.541 ( -2.398 -1.384 5.245) 5.931 2.567 ( -2.484 -1.434 -1.924) 3.454 2.683 ( -0.404 -0.233 -4.311) 4.336 2.917 ( -0.260 -0.150 -3.553) 3.566 2.963 ( -2.633 -1.520 -1.754) 3.510 3.174 ( -3.413 -1.971 3.827) 5.494 5.387 ( 2.297 1.326 -11.542) 11.843 5.806 ( 2.058 1.188 4.595) 5.173 6.312 ( -1.838 -1.061 3.247) 3.879 6.649 ( 0.887 0.512 -5.876) 5.965 6.811 ( -0.655 -0.378 -5.306) 5.360 7.502 ( 1.919 1.108 5.069) 5.533 7.533 ( -1.308 -0.755 -1.624) 2.218 8.091 ( 0.088 0.051 1.538) 1.541 8.344 ( -2.339 -1.350 3.219) 4.202 16.758 ( 0.179 0.103 0.250) 0.325 16.796 ( -2.211 -1.276 3.189) 4.085 16.829 ( -0.002 -0.001 -2.159) 2.159 16.897 ( 2.332 1.347 2.556) 3.713 17.305 ( 0.864 0.499 -0.354) 1.059 17.560 ( 1.163 0.672 -10.017) 10.106======================= Grid point 335 (66/116) =======================q-point: (-0.30 0.00 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.070 ( -6.752 -3.898 5.464) 9.521 1.240 ( -4.347 -2.510 12.037) 13.042 1.784 ( -4.894 -2.826 -2.278) 6.093 1.975 ( 1.856 1.072 4.909) 5.357 2.299 ( 4.391 2.535 4.668) 6.892 2.377 ( 0.957 0.552 2.601) 2.826 2.495 ( -2.025 -1.169 2.115) 3.153 2.497 ( -3.316 -1.915 -4.064) 5.584 2.680 ( -0.067 -0.039 -2.143) 2.145 2.853 ( -4.741 -2.737 -0.239) 5.479 2.963 ( 1.691 0.976 -6.785) 7.061 3.070 ( -5.668 -3.272 3.699) 7.518 5.462 ( 4.324 2.496 -10.131) 11.295 5.868 ( 3.266 1.885 4.452) 5.834 6.246 ( -3.900 -2.252 3.202) 5.526 6.676 ( 1.385 0.800 -5.896) 6.109 6.793 ( -0.933 -0.538 -5.493) 5.598 7.492 ( -2.291 -1.323 -1.601) 3.092 7.557 ( 2.820 1.628 4.704) 5.722 8.092 ( 0.011 0.006 1.591) 1.591 8.280 ( -3.297 -1.904 2.670) 4.650 16.753 ( -1.190 -0.687 1.408) 1.967 16.760 ( -0.029 -0.017 0.340) 0.341 16.831 ( 0.118 0.068 -2.187) 2.191 16.956 ( 1.752 1.011 2.625) 3.314 17.329 ( 1.112 0.642 -0.250) 1.308 17.587 ( 1.775 1.025 -8.469) 8.714======================= Grid point 336 (67/116) =======================q-point: (-0.20 0.00 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.928 ( -5.607 -3.237 8.693) 10.839 1.135 ( -5.744 -3.316 13.248) 14.816 1.628 ( -7.873 -4.546 5.115) 10.432 2.009 ( 2.004 1.157 2.347) 3.296 2.353 ( -1.046 -0.604 -2.603) 2.870 2.430 ( -3.619 -2.090 0.492) 4.208 2.462 ( 1.741 1.005 0.282) 2.030 2.464 ( 5.913 3.414 2.266) 7.194 2.676 ( -0.305 -0.176 -0.865) 0.934 2.748 ( -4.288 -2.476 0.303) 4.961 2.932 ( -6.322 -3.650 3.611) 8.144 2.991 ( 0.396 0.229 -7.962) 7.975 5.575 ( 5.620 3.245 -8.338) 10.566 5.944 ( 3.345 1.931 4.270) 5.758 6.148 ( -4.583 -2.646 3.288) 6.230 6.707 ( 1.330 0.768 -5.900) 6.096 6.772 ( -0.910 -0.525 -5.649) 5.746 7.436 ( -2.528 -1.460 -1.555) 3.307 7.620 ( 2.721 1.571 4.161) 5.214 8.091 ( -0.068 -0.039 1.670) 1.672 8.200 ( -3.701 -2.137 1.864) 4.663 16.741 ( -0.021 -0.012 0.877) 0.878 16.759 ( -0.023 -0.013 0.333) 0.334 16.832 ( -0.012 -0.007 -2.075) 2.075 16.952 ( -2.162 -1.248 -0.591) 2.566 17.345 ( 0.281 0.162 -0.412) 0.525 17.661 ( 4.855 2.803 -4.503) 7.190======================= Grid point 337 (68/116) =======================q-point: (-0.10 0.00 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.834 ( -2.422 -1.398 11.246) 11.588 0.969 ( -8.344 -4.818 11.611) 15.088 1.495 ( -3.522 -2.034 15.273) 15.805 2.084 ( 4.829 2.788 -1.308) 5.727 2.289 ( -3.485 -2.012 -6.210) 7.400 2.335 ( -4.449 -2.569 0.532) 5.165 2.542 ( 4.316 2.492 1.842) 5.314 2.600 ( 4.396 2.538 0.267) 5.083 2.670 ( -0.113 -0.065 -0.110) 0.171 2.678 ( -1.222 -0.705 0.633) 1.546 2.800 ( -5.254 -3.034 3.760) 7.138 2.972 ( -1.917 -1.107 -7.287) 7.615 5.697 ( 4.703 2.716 -7.332) 9.124 6.007 ( 2.025 1.169 4.108) 4.727 6.058 ( -3.062 -1.768 3.660) 5.088 6.732 ( 0.876 0.506 -5.875) 5.962 6.754 ( -0.667 -0.385 -5.747) 5.798 7.387 ( -1.708 -0.986 -1.511) 2.484 7.673 ( 1.844 1.064 3.390) 4.003 8.089 ( -0.156 -0.090 1.751) 1.761 8.122 ( -3.038 -1.754 1.566) 3.842 16.745 ( 0.321 0.185 0.474) 0.602 16.758 ( -0.080 -0.046 0.251) 0.268 16.831 ( -0.065 -0.038 -1.886) 1.887 16.879 ( -3.506 -2.024 -2.094) 4.558 17.347 ( -0.020 -0.011 -0.254) 0.255 17.776 ( 4.612 2.663 -2.265) 5.787======================= Grid point 339 (69/116) =======================q-point: ( 0.10 0.10 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.951 ( 8.534 4.773 9.200) 13.426 1.088 ( 3.340 8.400 11.528) 14.650 1.570 ( 2.665 6.279 10.098) 12.186 2.034 ( -0.578 -3.854 0.361) 3.913 2.228 ( -8.140 4.445 -2.357) 9.569 2.366 ( -4.346 -4.001 1.749) 6.161 2.488 ( 1.542 -1.273 0.788) 2.150 2.592 ( 2.822 0.716 0.291) 2.926 2.682 ( 1.304 -0.271 0.495) 1.422 2.740 ( 4.459 2.184 -1.388) 5.155 2.907 ( 4.473 6.002 3.062) 8.087 2.975 ( -1.325 0.638 -7.667) 7.806 5.613 ( -2.867 -5.983 -7.916) 10.329 5.970 ( -1.849 -1.724 3.902) 4.649 6.100 ( 1.001 3.166 3.977) 5.181 6.720 ( -0.290 -1.244 -5.831) 5.969 6.761 ( 0.054 0.864 -5.750) 5.815 7.422 ( 1.425 2.458 -1.542) 3.233 7.634 ( -1.618 -2.574 4.036) 5.053 8.087 ( -0.331 0.633 1.805) 1.941 8.192 ( 3.502 3.256 1.322) 4.961 16.731 ( -0.738 -0.696 0.859) 1.329 16.756 ( -0.474 0.371 0.282) 0.665 16.838 ( 0.451 0.127 -1.851) 1.909 16.963 ( 4.881 3.667 -2.196) 6.488 17.347 ( 0.075 -0.030 -0.472) 0.479 17.671 ( -5.520 -5.946 -2.926) 8.625======================= Grid point 340 (70/116) =======================q-point: ( 0.20 0.10 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.172 ( 10.408 6.265 6.699) 13.873 1.234 ( 5.379 6.225 10.111) 13.035 1.676 ( 2.879 3.834 4.252) 6.409 1.987 ( -1.406 -2.860 2.019) 3.773 2.129 ( -7.407 3.748 0.928) 8.353 2.237 ( -4.589 -3.259 1.836) 5.920 2.511 ( 2.731 -1.865 1.900) 3.814 2.652 ( -1.634 5.887 1.343) 6.255 2.711 ( 3.266 -0.939 -0.510) 3.436 2.843 ( 5.049 1.132 -2.490) 5.742 2.956 ( -0.014 -1.010 -7.764) 7.830 3.041 ( 4.616 5.239 2.947) 7.578 5.504 ( -3.517 -4.752 -9.267) 10.992 5.912 ( -3.871 0.133 3.930) 5.518 6.157 ( 3.296 1.100 4.279) 5.512 6.697 ( -1.103 -0.883 -5.769) 5.939 6.774 ( 0.756 0.424 -5.749) 5.814 7.475 ( 1.860 2.338 -1.586) 3.383 7.575 ( -2.292 -2.580 4.686) 5.820 8.091 ( -0.338 1.376 1.827) 2.312 8.281 ( 3.838 1.823 1.575) 4.531 16.716 ( -0.091 -0.845 1.351) 1.596 16.751 ( -0.586 0.490 0.586) 0.963 16.844 ( 0.026 0.071 -1.617) 1.619 17.087 ( 6.070 1.723 -1.118) 6.408 17.347 ( -0.061 -0.712 -0.370) 0.805 17.501 ( -7.880 -3.897 -5.486) 10.363======================= Grid point 341 (71/116) =======================q-point: ( 0.30 0.10 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.377 ( 4.746 4.920 7.802) 10.373 1.382 ( 5.848 6.330 4.465) 9.706 1.717 ( 0.825 -0.764 1.872) 2.184 1.933 ( -0.676 -3.265 2.634) 4.249 2.050 ( -5.731 1.356 1.785) 6.153 2.198 ( 1.174 1.780 2.037) 2.949 2.545 ( 2.378 -0.093 2.684) 3.587 2.653 ( -3.243 4.383 2.143) 5.858 2.745 ( 0.212 0.471 -2.746) 2.794 2.917 ( 3.315 -0.319 -2.523) 4.178 2.966 ( 2.390 -1.625 -5.684) 6.376 3.151 ( 3.269 3.371 3.299) 5.739 5.415 ( -2.622 -2.728 -10.829) 11.471 5.852 ( -4.036 1.578 4.254) 6.072 6.224 ( 4.346 -0.985 4.122) 6.070 6.670 ( -1.378 -0.139 -5.774) 5.937 6.792 ( 1.137 -0.268 -5.645) 5.765 7.515 ( -1.877 -2.027 4.905) 5.629 7.523 ( 1.276 1.697 -1.386) 2.536 8.101 ( -0.617 2.130 1.798) 2.855 8.346 ( 2.628 0.175 2.282) 3.485 16.714 ( 0.835 -0.679 1.748) 2.053 16.750 ( -0.003 0.453 1.177) 1.261 16.839 ( -0.335 -0.562 -0.954) 1.157 17.160 ( -0.190 -0.963 2.216) 2.424 17.290 ( -3.561 -1.462 -1.871) 4.280 17.419 ( 0.779 0.421 -9.014) 9.057======================= Grid point 342 (72/116) =======================q-point: ( 0.40 0.10 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.428 ( -4.806 4.676 0.232) 6.709 1.475 ( 1.017 0.019 8.462) 8.523 1.737 ( 1.455 2.722 2.343) 3.875 1.912 ( 0.036 -2.977 1.755) 3.456 2.006 ( 2.479 0.045 4.860) 5.456 2.263 ( 3.857 0.816 -0.227) 3.948 2.579 ( 0.482 1.280 3.541) 3.796 2.644 ( -2.572 4.081 1.767) 5.137 2.734 ( -1.520 0.424 -4.785) 5.038 2.934 ( 0.217 -2.305 -3.999) 4.621 2.991 ( 1.648 -1.166 -1.667) 2.618 3.210 ( 1.109 0.986 3.743) 4.027 5.367 ( -0.970 -0.843 -11.870) 11.939 5.815 ( -2.642 2.717 4.510) 5.891 6.274 ( 3.648 -2.813 3.765) 5.949 6.652 ( -0.994 0.684 -5.814) 5.938 6.804 ( 0.982 -0.992 -5.477) 5.652 7.476 ( -0.550 -1.132 5.324) 5.471 7.551 ( 0.292 1.022 -1.624) 1.941 8.110 ( -1.030 2.574 1.743) 3.274 8.371 ( 0.889 -1.182 2.945) 3.296 16.730 ( 1.535 -0.540 1.290) 2.077 16.763 ( 1.212 0.351 2.264) 2.592 16.820 ( -0.525 -1.924 0.666) 2.103 17.062 ( -7.749 1.015 -0.684) 7.845 17.281 ( 0.796 0.218 -0.730) 1.102 17.466 ( 3.857 -0.644 -9.442) 10.220======================= Grid point 343 (73/116) =======================q-point: (-0.50 0.10 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.347 ( -8.250 2.975 2.046) 9.005 1.419 ( -5.814 -0.780 6.941) 9.087 1.820 ( 4.465 2.261 3.928) 6.362 1.867 ( -0.693 -2.951 0.285) 3.045 2.114 ( 6.622 2.019 5.832) 9.052 2.321 ( 4.152 -3.294 -1.470) 5.500 2.563 ( -3.320 -0.433 2.728) 4.318 2.637 ( -3.053 3.620 1.648) 5.014 2.723 ( -1.239 2.767 -5.142) 5.970 2.907 ( -0.037 -2.013 -3.505) 4.042 2.978 ( -1.315 -2.434 -1.111) 2.982 3.207 ( -1.712 -0.593 3.855) 4.259 5.366 ( 1.114 0.401 -11.940) 11.999 5.818 ( -0.677 3.614 4.541) 5.842 6.286 ( 1.706 -4.220 3.494) 5.738 6.651 ( -0.192 1.196 -5.846) 5.970 6.804 ( 0.434 -1.377 -5.398) 5.587 7.478 ( 1.400 -0.056 5.258) 5.442 7.551 ( -1.012 0.268 -1.640) 1.946 8.115 ( -1.366 2.456 1.692) 3.280 8.356 ( -0.814 -1.850 3.215) 3.798 16.747 ( 1.025 -0.413 0.379) 1.169 16.778 ( 0.031 -3.618 0.069) 3.619 16.804 ( 1.750 0.489 5.011) 5.330 16.978 ( -5.288 5.193 -1.901) 7.652 17.295 ( 0.755 0.253 -0.376) 0.881 17.515 ( 3.292 -1.952 -9.762) 10.485======================= Grid point 344 (74/116) =======================q-point: (-0.40 0.10 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.219 ( -10.607 3.456 3.681) 11.747 1.311 ( -5.652 -0.508 10.240) 11.708 1.812 ( -1.903 -3.037 -2.213) 4.212 1.924 ( 4.895 0.232 4.864) 6.904 2.221 ( 4.294 -0.041 4.685) 6.355 2.341 ( 3.797 -5.330 -0.222) 6.548 2.474 ( -4.984 -1.307 1.785) 5.453 2.616 ( -3.683 4.282 1.152) 5.764 2.738 ( -2.086 4.934 -3.911) 6.633 2.877 ( -2.289 -4.313 -0.816) 4.951 2.936 ( 0.907 -0.933 -4.986) 5.153 3.143 ( -4.860 -0.980 3.610) 6.133 5.411 ( 3.437 0.997 -10.976) 11.544 5.859 ( 1.071 3.846 4.357) 5.910 6.250 ( -0.708 -4.842 3.453) 5.989 6.667 ( 0.655 1.189 -5.856) 6.011 6.794 ( -0.148 -1.189 -5.487) 5.617 7.518 ( 2.885 0.542 4.982) 5.783 7.523 ( -2.228 -0.293 -1.623) 2.772 8.111 ( -1.383 1.626 1.685) 2.720 8.312 ( -2.283 -1.476 2.906) 3.979 16.740 ( -0.246 -2.533 1.558) 2.984 16.757 ( 0.547 -0.397 0.050) 0.677 16.834 ( 0.715 0.420 0.854) 1.190 16.982 ( -1.312 5.695 0.770) 5.895 17.315 ( 1.198 0.436 -0.345) 1.321 17.539 ( 2.661 -2.743 -9.461) 10.204======================= Grid point 345 (75/116) =======================q-point: (-0.30 0.10 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.072 ( -10.550 3.593 6.366) 12.835 1.217 ( -5.922 0.025 12.671) 13.987 1.714 ( -6.141 -3.733 0.456) 7.201 1.983 ( 2.264 0.136 3.797) 4.423 2.278 ( 5.720 -2.955 4.479) 7.843 2.317 ( 1.016 -9.377 -2.484) 9.754 2.444 ( 0.438 3.801 2.080) 4.355 2.603 ( -3.928 6.127 0.385) 7.288 2.724 ( -4.060 1.533 -1.251) 4.517 2.786 ( -2.934 -1.874 -0.826) 3.578 2.964 ( 2.154 -0.692 -7.531) 7.863 3.032 ( -7.128 -0.578 3.325) 7.887 5.499 ( 5.630 1.149 -9.330) 10.958 5.920 ( 2.147 2.585 4.074) 5.281 6.176 ( -2.665 -3.946 3.626) 5.986 6.693 ( 1.177 0.813 -5.854) 6.026 6.778 ( -0.578 -0.743 -5.634) 5.712 7.475 ( -2.970 -0.448 -1.595) 3.400 7.577 ( 3.391 0.485 4.590) 5.728 8.101 ( -0.976 0.307 1.739) 2.018 8.255 ( -3.601 -0.128 2.090) 4.166 16.725 ( 0.572 -1.250 1.334) 1.915 16.760 ( 0.106 -0.217 0.157) 0.288 16.840 ( -0.278 0.463 -1.362) 1.465 17.004 ( -2.467 3.726 0.278) 4.478 17.339 ( 0.870 0.446 -0.308) 1.025 17.574 ( 5.218 -2.319 -6.660) 8.773======================= Grid point 350 (76/116) =======================q-point: ( 0.20 0.20 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.315 ( 9.491 7.936 4.798) 13.270 1.331 ( 6.220 4.089 9.988) 12.457 1.739 ( -2.510 2.864 -0.655) 3.864 1.925 ( -2.082 -3.750 3.657) 5.636 2.184 ( -7.857 -0.559 -1.724) 8.064 2.214 ( -2.286 1.724 5.407) 6.118 2.499 ( 3.677 1.445 2.226) 4.534 2.703 ( 4.252 0.183 0.658) 4.306 2.771 ( -3.217 5.899 0.671) 6.753 2.840 ( 4.952 -1.365 -3.758) 6.365 2.926 ( -0.338 -1.418 -6.231) 6.399 3.137 ( 2.810 4.279 3.277) 6.078 5.422 ( -1.867 -3.454 -10.588) 11.292 5.913 ( -0.284 -0.308 3.893) 3.915 6.174 ( -0.644 0.792 4.107) 4.232 6.683 ( -0.185 -0.509 -5.783) 5.808 6.778 ( -0.075 -0.004 -5.684) 5.684 7.520 ( 0.755 1.438 -0.776) 1.800 7.523 ( -1.176 -1.942 4.179) 4.756 8.127 ( 0.640 2.129 1.945) 2.954 8.307 ( 1.957 0.919 2.349) 3.193 16.709 ( -0.593 0.186 1.673) 1.784 16.753 ( -0.344 -0.284 0.488) 0.661 16.839 ( -0.354 -0.768 0.453) 0.960 17.094 ( 5.833 -0.585 -0.027) 5.862 17.320 ( -1.082 -1.570 -0.307) 1.931 17.464 ( -5.377 -0.551 -8.937) 10.445======================= Grid point 351 (77/116) =======================q-point: ( 0.30 0.20 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.433 ( 3.730 1.434 9.617) 10.414 1.536 ( 2.575 8.496 0.909) 8.924 1.735 ( 1.630 3.129 2.003) 4.057 1.866 ( -0.350 -3.616 2.508) 4.414 2.043 ( -6.926 -1.239 0.398) 7.047 2.214 ( 1.342 -2.038 3.487) 4.256 2.582 ( 2.491 3.957 2.361) 5.238 2.736 ( -1.851 3.105 0.900) 3.725 2.763 ( -1.894 1.766 -3.625) 4.456 2.887 ( 2.504 -2.255 -3.197) 4.645 2.938 ( 2.548 -1.057 -2.478) 3.708 3.201 ( 1.361 1.640 3.639) 4.217 5.374 ( -1.070 -1.459 -11.701) 11.840 5.902 ( -2.700 3.390 4.126) 5.984 6.177 ( 2.620 -3.624 4.102) 6.069 6.678 ( -0.707 0.925 -5.779) 5.896 6.776 ( 0.590 -1.286 -5.699) 5.872 7.475 ( -1.047 -1.825 5.344) 5.743 7.555 ( 0.662 1.446 -1.644) 2.288 8.158 ( -0.438 3.537 2.122) 4.148 8.334 ( 1.512 -1.384 2.710) 3.398 16.709 ( 0.418 0.222 1.626) 1.693 16.748 ( 0.385 -0.534 0.980) 1.180 16.814 ( -0.902 -1.923 2.600) 3.357 17.160 ( 0.157 1.668 -1.597) 2.315 17.279 ( -1.471 -0.090 -1.565) 2.150 17.409 ( 0.116 -1.733 -8.717) 8.888======================= Grid point 352 (78/116) =======================q-point: ( 0.40 0.20 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.448 ( -2.017 -0.566 8.040) 8.309 1.569 ( -6.398 7.718 1.183) 10.095 1.798 ( 0.016 2.504 2.058) 3.241 1.849 ( -0.320 -3.346 2.174) 4.003 2.012 ( 6.245 1.015 2.515) 6.809 2.211 ( 3.012 -5.848 2.316) 6.974 2.629 ( -2.235 3.293 1.824) 4.378 2.726 ( -2.530 3.153 1.035) 4.173 2.757 ( -0.372 2.372 -5.563) 6.059 2.883 ( 0.159 -2.214 -2.821) 3.590 2.958 ( 0.960 -2.331 -0.757) 2.632 3.218 ( -0.125 0.017 3.967) 3.969 5.358 ( 0.091 -0.185 -12.168) 12.170 5.894 ( -2.991 5.138 4.357) 7.371 6.187 ( 3.759 -5.808 3.881) 7.932 6.677 ( -0.988 1.705 -5.819) 6.144 6.774 ( 1.069 -1.899 -5.649) 6.055 7.457 ( 0.482 -0.762 5.444) 5.519 7.568 ( -0.385 0.684 -1.663) 1.839 8.175 ( -1.876 3.779 2.132) 4.727 8.334 ( 0.858 -2.482 3.003) 3.989 16.724 ( 1.018 -0.018 0.847) 1.324 16.751 ( 0.355 -1.511 0.266) 1.575 16.785 ( 0.240 -0.966 5.474) 5.564 17.129 ( -6.040 5.150 -4.039) 8.906 17.285 ( 0.848 0.214 -0.508) 1.011 17.422 ( 4.073 -3.816 -8.696) 10.333======================= Grid point 354 (79/116) =======================q-point: (-0.50 0.20 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.394 ( -4.390 1.497 9.215) 10.316 1.473 ( -11.912 5.787 1.677) 13.349 1.793 ( -0.744 -4.411 0.623) 4.516 1.849 ( 3.856 0.858 3.547) 5.309 2.145 ( 5.880 -0.446 -0.059) 5.898 2.211 ( 3.920 -5.382 4.070) 7.804 2.571 ( -5.914 0.841 1.550) 6.171 2.714 ( -2.939 3.588 1.255) 4.805 2.793 ( 0.764 3.410 -5.979) 6.925 2.861 ( -0.728 -2.667 -0.814) 2.882 2.926 ( -1.062 -1.891 -2.272) 3.141 3.198 ( -2.246 -0.144 3.724) 4.351 5.373 ( 1.749 0.243 -11.748) 11.880 5.902 ( -1.478 3.905 4.218) 5.935 6.187 ( 2.306 -4.760 3.868) 6.552 6.677 ( -0.499 1.114 -5.813) 5.940 6.776 ( 0.852 -1.148 -5.636) 5.815 7.476 ( 2.161 -0.090 5.308) 5.732 7.555 ( -1.576 0.133 -1.660) 2.292 8.164 ( -2.664 1.801 2.042) 3.809 8.321 ( -0.152 -1.079 2.925) 3.122 16.724 ( -0.426 -1.753 1.197) 2.165 16.742 ( 0.781 -0.059 0.777) 1.103 16.811 ( 2.105 0.228 3.733) 4.291 17.092 ( -4.380 5.822 -2.585) 7.731 17.298 ( 0.911 -0.131 -0.582) 1.089 17.452 ( 3.654 -4.069 -9.180) 10.686======================= Grid point 362 (80/116) =======================q-point: ( 0.30 0.30 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.449 ( 0.908 0.513 8.864) 8.925 1.684 ( 3.709 5.772 1.425) 7.008 1.791 ( -0.354 -2.697 2.602) 3.765 1.836 ( 3.486 5.697 1.008) 6.754 2.005 ( -6.530 -4.031 -1.912) 7.908 2.130 ( -0.806 -3.951 6.839) 7.939 2.672 ( 2.631 4.335 1.002) 5.169 2.748 ( -0.651 -1.106 0.307) 1.319 2.793 ( -0.349 -0.188 -7.877) 7.887 2.874 ( 1.176 1.435 0.427) 1.904 2.920 ( -0.391 -0.944 -0.658) 1.215 3.218 ( 0.193 0.271 4.040) 4.054 5.356 ( -0.224 -0.394 -12.240) 12.248 5.976 ( 2.299 3.809 4.168) 6.096 6.096 ( -2.602 -4.154 4.099) 6.389 6.703 ( 0.829 1.455 -5.802) 6.038 6.747 ( -0.886 -1.572 -5.765) 6.040 7.449 ( -0.437 -0.737 5.513) 5.579 7.575 ( 0.307 0.537 -1.677) 1.787 8.226 ( 1.546 3.095 2.469) 4.250 8.297 ( -0.922 -2.140 2.808) 3.649 16.721 ( -0.179 0.802 0.696) 1.077 16.734 ( 0.179 -0.683 0.727) 1.013 16.778 ( -0.726 -1.327 5.578) 5.780 17.220 ( 4.471 3.894 -5.073) 7.803 17.282 ( -1.165 0.365 -0.934) 1.537 17.350 ( -3.098 -3.973 -7.678) 9.183======================= Grid point 436 (81/116) =======================q-point: ( 0.00 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.047 ( 0.000 -0.000 8.141) 8.141 1.047 ( 0.000 0.000 8.141) 8.141 1.781 ( 0.000 -0.000 11.512) 11.512 2.085 ( 0.000 0.000 -5.221) 5.221 2.085 ( 0.000 -0.000 -5.221) 5.221 2.336 ( 0.000 0.000 4.160) 4.160 2.629 ( 0.000 0.000 0.600) 0.600 2.629 ( 0.000 -0.000 0.600) 0.600 2.675 ( 0.000 0.000 -0.525) 0.525 2.675 ( -0.000 -0.000 -0.525) 0.525 2.796 ( 0.000 -0.000 -7.017) 7.017 2.803 ( 0.000 0.000 2.892) 2.892 5.631 ( 0.000 -0.000 -4.253) 4.253 6.118 ( 0.000 -0.000 4.273) 4.273 6.118 ( -0.000 -0.000 4.273) 4.273 6.623 ( 0.000 -0.000 -5.292) 5.292 6.623 ( 0.000 0.000 -5.292) 5.292 7.340 ( 0.000 -0.000 -0.945) 0.945 7.740 ( 0.000 0.000 1.429) 1.429 8.116 ( 0.000 -0.000 1.099) 1.099 8.116 ( -0.000 0.000 1.099) 1.099 16.760 ( 0.000 -0.000 0.381) 0.381 16.760 ( 0.000 -0.000 0.381) 0.381 16.798 ( -0.000 0.000 -1.347) 1.347 16.798 ( 0.000 0.000 -1.347) 1.347 17.345 ( -0.000 0.000 -0.034) 0.034 17.798 ( 0.000 0.000 -1.295) 1.295======================= Grid point 437 (82/116) =======================q-point: ( 0.10 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.102 ( 5.947 3.433 8.962) 11.290 1.118 ( 4.460 2.575 6.305) 8.141 1.759 ( -0.993 -0.573 8.047) 8.129 2.041 ( -1.528 -0.882 -2.893) 3.388 2.140 ( 1.101 0.636 -1.715) 2.135 2.373 ( 3.129 1.806 1.302) 3.840 2.546 ( -5.462 -3.154 0.289) 6.314 2.612 ( -1.436 -0.829 0.325) 1.690 2.685 ( 0.475 0.274 -0.832) 0.997 2.691 ( 2.424 1.399 0.078) 2.800 2.822 ( 1.279 0.738 -5.751) 5.938 2.872 ( 5.137 2.966 2.269) 6.350 5.576 ( -4.601 -2.657 -4.374) 6.882 6.087 ( -2.347 -1.355 4.407) 5.174 6.150 ( 2.526 1.459 4.263) 5.165 6.618 ( -0.660 -0.381 -5.310) 5.365 6.627 ( 0.464 0.268 -5.262) 5.289 7.360 ( 1.689 0.975 -0.956) 2.172 7.724 ( -1.371 -0.792 1.629) 2.272 8.113 ( -0.132 -0.076 1.198) 1.208 8.159 ( 3.504 2.023 0.832) 4.131 16.753 ( -0.335 -0.194 0.513) 0.643 16.760 ( -0.192 -0.111 0.406) 0.462 16.801 ( 0.170 0.098 -1.392) 1.406 16.844 ( 4.122 2.380 -1.823) 5.097 17.343 ( -0.161 -0.093 -0.101) 0.211 17.737 ( -5.325 -3.074 -1.067) 6.241======================= Grid point 438 (83/116) =======================q-point: ( 0.20 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 282Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.232 ( 5.254 3.033 3.429) 6.969 1.273 ( 8.482 4.897 8.861) 13.208 1.759 ( 0.908 0.524 3.077) 3.251 2.021 ( -0.135 -0.078 0.458) 0.484 2.123 ( -2.159 -1.246 1.691) 3.012 2.348 ( -5.677 -3.278 1.926) 6.832 2.539 ( 4.795 2.768 -0.974) 5.622 2.585 ( -0.837 -0.483 -0.096) 0.971 2.694 ( 0.141 0.081 -1.474) 1.483 2.762 ( 3.484 2.012 -1.141) 4.182 2.844 ( 1.018 0.588 -3.997) 4.167 3.004 ( 6.322 3.650 1.985) 7.564 5.445 ( -6.598 -3.810 -4.960) 9.092 6.021 ( -3.282 -1.895 4.517) 5.896 6.224 ( 3.913 2.259 4.740) 6.548 6.595 ( -1.345 -0.777 -5.261) 5.485 6.642 ( 0.896 0.518 -5.412) 5.510 7.409 ( 2.490 1.438 -0.983) 3.039 7.682 ( -2.285 -1.319 2.019) 3.322 8.111 ( -0.059 -0.034 1.226) 1.228 8.256 ( 4.705 2.716 0.596) 5.465 16.746 ( -0.217 -0.125 0.623) 0.671 16.757 ( -0.017 -0.010 0.681) 0.681 16.804 ( 0.073 0.042 -1.491) 1.493 16.965 ( 6.273 3.622 -2.933) 7.815 17.338 ( -0.265 -0.153 -0.332) 0.451 17.572 ( -9.026 -5.211 -0.395) 10.430======================= Grid point 439 (84/116) =======================q-point: ( 0.30 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.332 ( 3.321 1.917 0.303) 3.847 1.457 ( 7.730 4.463 7.506) 11.662 1.775 ( -0.253 -0.146 -0.306) 0.424 2.042 ( 2.218 1.281 4.489) 5.168 2.061 ( -3.153 -1.821 1.867) 4.092 2.242 ( -2.750 -1.588 2.857) 4.271 2.576 ( 0.020 0.012 -0.677) 0.678 2.636 ( 3.076 1.776 1.252) 3.766 2.685 ( -1.031 -0.595 -2.531) 2.797 2.829 ( 2.448 1.413 -3.660) 4.624 2.887 ( 2.794 1.613 -2.123) 3.862 3.141 ( 5.649 3.261 2.076) 6.845 5.303 ( -5.797 -3.347 -5.857) 8.894 5.950 ( -2.930 -1.692 4.589) 5.702 6.314 ( 3.897 2.250 5.345) 6.987 6.562 ( -1.516 -0.875 -5.200) 5.486 6.665 ( 1.074 0.620 -5.752) 5.884 7.464 ( 2.252 1.300 -1.006) 2.788 7.627 ( -2.456 -1.418 2.373) 3.698 8.110 ( 0.044 0.025 1.168) 1.170 8.353 ( 3.798 2.193 0.778) 4.454 16.744 ( 0.033 0.019 0.618) 0.620 16.765 ( 0.836 0.483 1.161) 1.510 16.804 ( -0.101 -0.058 -1.554) 1.558 17.106 ( 5.913 3.414 -4.310) 8.074 17.328 ( -1.884 -1.088 -1.195) 2.483 17.357 ( -8.394 -4.846 1.190) 9.766======================= Grid point 440 (85/116) =======================q-point: ( 0.40 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 282Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.370 ( 0.062 0.036 -1.037) 1.039 1.595 ( 3.139 1.813 4.501) 5.779 1.753 ( 0.260 0.150 1.084) 1.125 1.989 ( -3.271 -1.888 1.043) 3.918 2.119 ( 4.435 2.560 7.237) 8.865 2.231 ( 1.316 0.760 1.362) 2.041 2.584 ( 0.670 0.387 -1.325) 1.534 2.645 ( -2.578 -1.489 -3.702) 4.750 2.679 ( 1.175 0.678 3.597) 3.845 2.869 ( 0.881 0.509 -3.945) 4.074 2.948 ( 2.238 1.292 -1.771) 3.132 3.244 ( 3.327 1.921 2.253) 4.454 5.199 ( -3.287 -1.898 -6.642) 7.650 5.898 ( -1.620 -0.935 4.599) 4.965 6.388 ( 2.473 1.428 5.590) 6.278 6.532 ( -1.027 -0.593 -5.162) 5.296 6.687 ( 0.861 0.497 -6.028) 6.110 7.504 ( 1.297 0.749 -1.021) 1.813 7.580 ( -1.636 -0.944 2.607) 3.219 8.112 ( 0.106 0.061 1.058) 1.065 8.417 ( 1.823 1.052 1.284) 2.465 16.748 ( 0.292 0.169 0.491) 0.596 16.799 ( 2.348 1.355 1.917) 3.320 16.800 ( -0.258 -0.149 -1.547) 1.576 17.118 ( -8.279 -4.780 -2.562) 9.897 17.235 ( 3.201 1.848 -0.300) 3.708 17.333 ( 0.267 0.154 -2.151) 2.173======================= Grid point 441 (86/116) =======================q-point: (-0.50 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.342 ( -2.334 -1.347 0.261) 2.708 1.571 ( -3.084 -1.781 3.584) 5.053 1.838 ( 4.971 2.870 2.775) 6.376 1.916 ( -2.773 -1.601 0.393) 3.226 2.226 ( 4.785 2.762 7.466) 9.288 2.277 ( 2.390 1.380 -1.373) 3.082 2.571 ( -3.861 -2.229 -5.648) 7.196 2.605 ( 1.070 0.618 -0.837) 1.492 2.690 ( -0.511 -0.295 4.490) 4.528 2.866 ( -0.851 -0.491 -2.990) 3.148 2.973 ( -0.198 -0.114 -1.547) 1.563 3.281 ( -0.065 -0.038 2.379) 2.380 5.161 ( -0.073 -0.042 -6.936) 6.937 5.881 ( 0.176 0.102 4.524) 4.529 6.420 ( 0.306 0.176 5.381) 5.393 6.519 ( -0.069 -0.040 -5.142) 5.143 6.699 ( 0.068 0.039 -6.118) 6.119 7.519 ( 0.003 0.002 -1.031) 1.031 7.561 ( 0.026 0.015 2.663) 2.663 8.115 ( 0.106 0.061 0.947) 0.955 8.433 ( -0.428 -0.247 1.819) 1.885 16.756 ( 0.418 0.241 0.345) 0.593 16.793 ( -0.294 -0.170 -1.527) 1.565 16.870 ( 3.781 2.183 3.011) 5.303 16.946 ( -6.391 -3.690 -0.331) 7.387 17.284 ( 0.908 0.524 -0.137) 1.058 17.355 ( 1.526 0.881 -5.472) 5.749======================= Grid point 443 (87/116) =======================q-point: (-0.40 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 282Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.274 ( -3.581 -2.067 2.912) 5.057 1.513 ( -1.775 -1.025 6.961) 7.257 1.815 ( -4.140 -2.390 -1.815) 5.113 1.978 ( 4.942 2.853 2.671) 6.301 2.319 ( 3.089 1.783 4.846) 6.017 2.328 ( 2.023 1.168 -2.917) 3.737 2.480 ( -3.839 -2.217 -5.007) 6.688 2.632 ( 1.210 0.699 -1.011) 1.725 2.646 ( -3.350 -1.934 4.490) 5.927 2.850 ( -0.390 -0.225 -2.584) 2.623 2.937 ( -2.901 -1.675 -1.007) 3.498 3.241 ( -3.449 -1.991 2.415) 4.658 5.195 ( 3.117 1.799 -6.549) 7.473 5.905 ( 1.931 1.115 4.378) 4.913 6.400 ( -2.094 -1.209 4.967) 5.524 6.529 ( 0.880 0.508 -5.122) 5.222 6.691 ( -0.715 -0.413 -6.102) 6.158 7.504 ( -1.299 -0.750 -1.029) 1.819 7.581 ( 1.672 0.965 2.533) 3.185 8.117 ( 0.077 0.045 0.872) 0.876 8.400 ( -2.428 -1.402 2.090) 3.497 16.764 ( 0.257 0.149 0.350) 0.459 16.789 ( -0.090 -0.052 -1.619) 1.622 16.831 ( -3.648 -2.106 0.586) 4.253 16.962 ( 3.449 1.991 3.216) 5.119 17.298 ( 0.788 0.455 -0.446) 1.013 17.389 ( 1.617 0.934 -6.131) 6.409======================= Grid point 444 (88/116) =======================q-point: (-0.30 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.188 ( -3.991 -2.304 5.675) 7.310 1.484 ( -1.565 -0.904 11.109) 11.255 1.711 ( -4.638 -2.678 -4.539) 7.021 2.065 ( 2.574 1.486 3.138) 4.322 2.320 ( -3.245 -1.873 -5.401) 6.574 2.375 ( 2.569 1.483 -2.216) 3.703 2.451 ( 1.720 0.993 2.754) 3.396 2.557 ( -4.244 -2.450 3.422) 5.977 2.655 ( 0.816 0.471 -0.540) 1.086 2.843 ( -1.801 -1.040 -1.590) 2.618 2.858 ( -2.319 -1.339 -2.318) 3.542 3.135 ( -5.735 -3.311 2.395) 7.042 5.295 ( 5.669 3.273 -5.612) 8.622 5.963 ( 3.114 1.798 4.216) 5.541 6.329 ( -4.076 -2.353 4.455) 6.481 6.555 ( 1.378 0.796 -5.107) 5.349 6.671 ( -0.924 -0.533 -5.868) 5.964 7.464 ( -2.259 -1.305 -1.009) 2.797 7.629 ( 2.455 1.417 2.273) 3.633 8.118 ( 0.047 0.027 0.848) 0.850 8.329 ( -3.816 -2.203 1.934) 4.812 16.766 ( -0.022 -0.013 0.343) 0.343 16.775 ( -1.439 -0.831 0.728) 1.814 16.790 ( 0.168 0.097 -1.623) 1.635 16.993 ( -1.047 -0.605 1.205) 1.707 17.323 ( 1.076 0.621 -0.258) 1.269 17.454 ( 4.890 2.823 -4.356) 7.131======================= Grid point 445 (89/116) =======================q-point: (-0.20 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 282Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.103 ( -3.414 -1.971 7.748) 8.693 1.379 ( -8.307 -4.796 9.041) 13.181 1.667 ( 1.361 0.786 -0.139) 1.578 2.091 ( -0.081 -0.046 4.692) 4.693 2.231 ( -4.038 -2.331 -7.388) 8.736 2.429 ( -0.962 -0.555 -0.991) 1.489 2.490 ( 1.562 0.902 0.824) 1.983 2.509 ( 3.020 1.743 2.983) 4.588 2.666 ( 0.213 0.123 -0.131) 0.278 2.756 ( -3.877 -2.239 0.524) 4.508 2.853 ( -0.286 -0.165 -5.283) 5.293 2.998 ( -6.296 -3.635 2.394) 7.654 5.438 ( 6.718 3.879 -4.640) 9.039 6.036 ( 3.233 1.866 4.120) 5.560 6.229 ( -4.493 -2.594 4.162) 6.651 6.586 ( 1.316 0.760 -5.128) 5.348 6.651 ( -0.870 -0.503 -5.554) 5.644 7.409 ( -2.489 -1.437 -0.979) 3.037 7.683 ( 2.252 1.300 1.948) 3.249 8.119 ( 0.003 0.002 0.885) 0.885 8.237 ( -4.235 -2.445 1.486) 5.110 16.758 ( -0.268 -0.155 0.699) 0.764 16.765 ( -0.056 -0.032 0.296) 0.303 16.794 ( 0.124 0.072 -1.510) 1.517 16.928 ( -4.094 -2.363 -1.148) 4.864 17.338 ( 0.359 0.207 -0.266) 0.493 17.598 ( 7.170 4.140 -1.848) 8.483======================= Grid point 446 (90/116) =======================q-point: (-0.10 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.046 ( -1.443 -0.833 8.644) 8.803 1.172 ( -8.660 -5.000 7.119) 12.275 1.734 ( 3.612 2.085 6.953) 8.108 2.074 ( -0.951 -0.549 1.413) 1.789 2.149 ( -3.276 -1.891 -6.749) 7.737 2.365 ( -2.516 -1.453 2.083) 3.575 2.579 ( 3.151 1.819 1.659) 3.999 2.586 ( 4.394 2.537 -1.410) 5.266 2.668 ( 0.034 0.019 -0.044) 0.059 2.688 ( -1.907 -1.101 0.409) 2.239 2.830 ( -1.791 -1.034 -6.103) 6.444 2.868 ( -4.913 -2.836 2.529) 6.211 5.574 ( 4.853 2.802 -4.248) 7.031 6.097 ( 1.989 1.148 4.149) 4.742 6.145 ( -2.715 -1.567 4.260) 5.289 6.611 ( 0.864 0.499 -5.204) 5.299 6.633 ( -0.675 -0.390 -5.370) 5.427 7.360 ( -1.684 -0.972 -0.955) 2.166 7.724 ( 1.344 0.776 1.611) 2.238 8.118 ( -0.065 -0.037 0.978) 0.980 8.152 ( -3.050 -1.761 1.171) 3.712 16.757 ( 0.033 0.019 0.580) 0.581 16.764 ( -0.106 -0.061 0.310) 0.333 16.796 ( 0.071 0.041 -1.404) 1.406 16.839 ( -3.326 -1.920 -1.601) 4.161 17.343 ( 0.164 0.094 -0.102) 0.214 17.740 ( 4.912 2.836 -1.237) 5.806======================= Grid point 448 (91/116) =======================q-point: ( 0.10 0.10 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.129 ( 6.580 2.733 7.392) 10.267 1.290 ( 1.711 10.479 7.145) 12.798 1.710 ( 1.841 -3.375 3.199) 5.001 2.067 ( -1.974 2.138 2.369) 3.752 2.162 ( -2.582 2.039 -3.050) 4.486 2.403 ( -2.678 -0.141 1.720) 3.186 2.482 ( 0.699 -2.439 -1.007) 2.730 2.596 ( 2.065 -0.180 0.136) 2.077 2.682 ( 1.150 0.160 -0.414) 1.233 2.728 ( 1.850 2.202 0.212) 2.883 2.841 ( -0.295 0.634 -5.178) 5.225 2.965 ( 3.856 6.158 2.177) 7.585 5.480 ( -3.508 -6.663 -4.587) 8.817 6.059 ( -1.844 -1.817 4.234) 4.963 6.191 ( 1.695 2.985 4.396) 5.578 6.600 ( -0.243 -1.229 -5.199) 5.348 6.640 ( 0.011 0.845 -5.414) 5.479 7.395 ( 1.402 2.417 -0.975) 2.960 7.695 ( -1.240 -2.077 1.887) 3.068 8.118 ( -0.140 0.517 1.103) 1.226 8.217 ( 3.000 3.716 0.959) 4.871 16.747 ( -0.613 -0.292 0.651) 0.940 16.763 ( -0.211 0.228 0.380) 0.491 16.803 ( 0.468 0.171 -1.415) 1.500 16.915 ( 3.903 4.513 -2.024) 6.301 17.340 ( -0.140 -0.266 -0.235) 0.382 17.632 ( -5.045 -7.266 -1.082) 8.911======================= Grid point 449 (92/116) =======================q-point: ( 0.20 0.10 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.286 ( 7.007 4.074 3.691) 8.906 1.419 ( 3.046 7.934 7.313) 11.212 1.727 ( 3.136 -2.537 0.570) 4.073 2.049 ( -1.977 -0.002 3.407) 3.939 2.118 ( -3.960 1.545 -1.173) 4.409 2.295 ( -4.750 -1.168 3.612) 6.081 2.527 ( 3.448 -1.455 -0.589) 3.788 2.661 ( 1.204 5.469 -0.591) 5.631 2.697 ( -0.191 0.904 -1.056) 1.403 2.780 ( 3.153 -0.649 -2.150) 3.871 2.850 ( 1.824 0.110 -2.965) 3.482 3.096 ( 4.611 5.416 2.028) 7.397 5.348 ( -4.577 -5.684 -5.418) 9.089 6.004 ( -3.480 -0.125 4.364) 5.583 6.257 ( 3.669 1.099 4.948) 6.257 6.578 ( -1.078 -0.870 -5.195) 5.376 6.652 ( 0.687 0.394 -5.585) 5.641 7.447 ( 1.844 2.292 -1.004) 3.108 7.647 ( -1.917 -2.225 2.244) 3.696 8.124 ( -0.333 1.406 1.198) 1.877 8.308 ( 3.844 2.463 0.853) 4.645 16.737 ( -0.068 -0.502 0.770) 0.922 16.763 ( 0.040 0.250 0.566) 0.620 16.811 ( -0.014 0.775 -1.324) 1.534 17.040 ( 5.743 3.773 -2.833) 7.433 17.334 ( -0.214 -0.354 -0.571) 0.705 17.446 ( -8.205 -7.241 -0.612) 10.960======================= Grid point 450 (93/116) =======================q-point: ( 0.30 0.10 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.403 ( 0.757 5.515 -0.463) 5.586 1.549 ( 4.789 4.443 6.503) 9.217 1.749 ( 1.339 -1.042 0.440) 1.753 2.001 ( -1.011 -3.205 3.526) 4.872 2.071 ( -1.363 -1.100 1.038) 2.037 2.262 ( -1.112 3.544 4.049) 5.494 2.568 ( 2.271 0.270 -0.743) 2.404 2.674 ( -2.267 -0.463 -3.098) 3.867 2.704 ( -1.441 3.777 1.952) 4.489 2.834 ( 3.430 -0.336 -3.739) 5.085 2.904 ( 3.670 0.203 -1.625) 4.019 3.210 ( 3.575 3.527 2.145) 5.461 5.232 ( -3.571 -3.515 -6.336) 8.078 5.948 ( -3.659 1.396 4.493) 5.960 6.326 ( 4.312 -1.073 5.380) 6.978 6.551 ( -1.385 -0.135 -5.157) 5.341 6.669 ( 1.152 -0.303 -5.872) 5.992 7.494 ( 1.359 1.727 -1.021) 2.423 7.595 ( -1.724 -1.857 2.538) 3.586 8.133 ( -0.783 2.307 1.190) 2.712 8.383 ( 3.053 0.692 1.112) 3.322 16.736 ( 0.518 -0.553 0.692) 1.027 16.771 ( 0.764 -0.274 0.489) 0.948 16.821 ( -0.090 1.819 -0.496) 1.888 17.164 ( 4.486 2.484 -4.685) 6.945 17.237 ( -8.200 -5.584 0.985) 9.970 17.327 ( 0.015 -0.691 -1.123) 1.318======================= Grid point 451 (94/116) =======================q-point: ( 0.40 0.10 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.423 ( -4.163 5.350 -0.609) 6.806 1.604 ( -1.550 -0.377 3.529) 3.873 1.792 ( 3.595 3.540 2.727) 5.735 1.945 ( -2.735 -2.578 1.160) 3.934 2.094 ( 6.737 -3.566 3.470) 8.376 2.296 ( 0.639 3.210 3.562) 4.837 2.604 ( 0.364 1.376 -3.826) 4.082 2.615 ( -2.954 -1.008 -2.264) 3.856 2.715 ( -1.062 2.669 3.503) 4.530 2.861 ( 0.550 -0.995 -3.005) 3.213 2.955 ( 2.019 -0.360 -1.554) 2.573 3.275 ( 1.308 1.152 2.335) 2.914 5.167 ( -1.329 -1.216 -6.916) 7.147 5.915 ( -2.490 2.621 4.544) 5.807 6.373 ( 3.345 -2.925 5.388) 6.984 6.533 ( -1.007 0.684 -5.107) 5.251 6.682 ( 1.091 -1.082 -6.060) 6.252 7.522 ( 0.308 0.953 -1.012) 1.424 7.560 ( -0.548 -0.973 2.671) 2.895 8.141 ( -1.277 2.813 1.103) 3.280 8.419 ( 1.361 -0.918 1.580) 2.278 16.742 ( 0.839 -0.537 0.436) 1.087 16.777 ( 0.704 -1.226 -0.423) 1.476 16.854 ( 1.480 2.723 1.846) 3.607 17.046 ( -8.161 -2.067 -1.359) 8.528 17.260 ( 3.189 0.755 -1.186) 3.486 17.326 ( 1.134 -1.172 -3.461) 3.826======================= Grid point 452 (95/116) =======================q-point: (-0.50 0.10 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.379 ( -6.780 4.878 1.363) 8.463 1.550 ( -3.069 -0.202 5.075) 5.935 1.854 ( -3.109 -1.961 -0.109) 3.677 1.914 ( 4.716 1.643 3.066) 5.860 2.183 ( 7.096 -4.030 0.081) 8.160 2.341 ( 2.106 1.622 4.357) 5.104 2.535 ( -4.549 -0.722 -5.271) 7.000 2.635 ( 0.437 2.128 -1.887) 2.878 2.707 ( -3.030 2.109 3.784) 5.287 2.848 ( -0.299 -1.135 -2.337) 2.615 2.952 ( -1.137 -2.037 -1.223) 2.634 3.274 ( -1.775 -0.606 2.410) 3.054 5.166 ( 1.583 0.515 -6.888) 7.086 5.918 ( -0.728 3.491 4.478) 5.724 6.378 ( 1.372 -4.204 5.090) 6.743 6.532 ( -0.206 1.204 -5.075) 5.220 6.683 ( 0.502 -1.495 -6.087) 6.288 7.522 ( -0.975 0.223 -1.028) 1.435 7.561 ( 1.161 -0.011 2.648) 2.892 8.144 ( -1.583 2.672 0.987) 3.258 8.411 ( -0.632 -1.904 1.956) 2.802 16.752 ( 0.878 -0.647 0.160) 1.103 16.771 ( 0.266 -1.508 -0.464) 1.600 16.884 ( -2.010 -1.082 1.847) 2.937 16.960 ( -0.780 4.759 0.562) 4.855 17.289 ( 0.556 0.042 -0.281) 0.624 17.348 ( 2.732 -1.638 -5.925) 6.727======================= Grid point 453 (96/116) =======================q-point: (-0.40 0.10 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.297 ( -7.757 3.851 3.734) 9.431 1.514 ( -1.991 1.140 8.853) 9.146 1.759 ( -4.395 -3.252 -2.776) 6.132 2.012 ( 4.781 0.562 3.101) 5.726 2.233 ( 4.519 -5.622 -3.405) 7.976 2.391 ( 2.566 -1.347 5.080) 5.848 2.453 ( -4.929 1.833 -3.709) 6.435 2.660 ( -4.861 3.326 2.321) 6.331 2.665 ( 0.264 2.411 -1.827) 3.037 2.838 ( 0.047 -0.959 -2.363) 2.551 2.885 ( -3.050 -3.528 -0.767) 4.726 3.207 ( -4.947 -1.268 2.335) 5.616 5.229 ( 4.651 1.435 -6.229) 7.905 5.955 ( 0.950 3.611 4.328) 5.716 6.338 ( -1.013 -4.582 4.720) 6.655 6.548 ( 0.633 1.209 -5.092) 5.271 6.672 ( -0.118 -1.235 -5.938) 6.066 7.494 ( -2.186 -0.312 -1.033) 2.438 7.596 ( 2.502 0.533 2.472) 3.558 8.139 ( -1.504 1.837 0.918) 2.545 8.364 ( -2.544 -1.927 1.956) 3.744 16.754 ( 0.498 -1.768 0.013) 1.837 16.763 ( 0.211 -0.339 0.369) 0.544 16.832 ( -2.547 0.621 -0.543) 2.677 17.016 ( -0.042 3.472 1.995) 4.005 17.306 ( 1.549 0.431 -0.474) 1.676 17.382 ( 3.974 -1.588 -5.402) 6.892======================= Grid point 454 (97/116) =======================q-point: (-0.30 0.10 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.204 ( -7.275 3.358 5.962) 9.988 1.463 ( -5.678 -1.875 10.337) 11.942 1.678 ( -1.681 0.198 -3.055) 3.493 2.073 ( 2.188 -0.545 3.899) 4.504 2.222 ( 0.200 -5.907 -5.515) 8.084 2.376 ( 2.937 -4.582 3.629) 6.541 2.454 ( -0.462 3.573 -0.679) 3.666 2.615 ( -5.035 5.016 0.899) 7.164 2.687 ( -1.010 2.352 -1.540) 2.987 2.785 ( -2.628 -3.557 0.465) 4.447 2.845 ( 0.288 -0.627 -4.125) 4.183 3.092 ( -7.075 -1.004 2.229) 7.485 5.344 ( 7.097 1.496 -5.265) 8.963 6.012 ( 2.092 2.273 4.192) 5.207 6.264 ( -2.937 -3.270 4.451) 6.255 6.573 ( 1.146 0.842 -5.124) 5.318 6.657 ( -0.525 -0.748 -5.659) 5.732 7.447 ( -2.915 -0.447 -1.005) 3.115 7.647 ( 2.890 0.479 2.194) 3.660 8.130 ( -1.016 0.579 0.961) 1.514 8.294 ( -4.093 -0.907 1.511) 4.456 16.745 ( 0.428 -1.104 0.620) 1.336 16.765 ( 0.098 -0.100 0.317) 0.346 16.810 ( -1.099 0.692 -1.265) 1.813 16.997 ( -4.478 1.186 -0.701) 4.685 17.331 ( 0.683 0.258 -0.347) 0.808 17.482 ( 8.596 -0.126 -2.567) 8.971======================= Grid point 459 (98/116) =======================q-point: ( 0.20 0.20 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 504Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.385 ( 7.922 5.813 2.587) 10.161 1.541 ( 2.648 3.540 8.755) 9.808 1.712 ( 1.036 2.195 -1.675) 2.949 2.006 ( -2.985 -3.478 3.544) 5.794 2.128 ( -6.032 -1.105 -3.358) 6.991 2.326 ( -2.713 2.732 5.070) 6.366 2.516 ( 4.191 0.651 -0.914) 4.338 2.696 ( -0.071 -0.419 -2.565) 2.600 2.748 ( 4.524 -1.135 -0.999) 4.770 2.789 ( -1.250 5.730 0.045) 5.865 2.852 ( 1.614 0.182 -2.079) 2.638 3.196 ( 2.779 4.582 2.155) 5.776 5.245 ( -2.541 -4.642 -6.131) 8.099 6.004 ( -0.291 -0.118 4.313) 4.324 6.272 ( -0.099 0.603 4.927) 4.965 6.564 ( -0.169 -0.526 -5.158) 5.188 6.656 ( -0.137 -0.031 -5.741) 5.743 7.491 ( 1.249 2.177 -1.032) 2.714 7.600 ( -1.420 -2.403 2.487) 3.739 8.161 ( 0.896 2.168 1.161) 2.617 8.347 ( 1.712 1.627 1.415) 2.753 16.732 ( -0.498 -0.028 0.662) 0.829 16.762 ( -0.015 -0.359 0.325) 0.485 16.835 ( 0.517 1.588 -0.524) 1.750 17.091 ( 5.276 0.859 -0.556) 5.374 17.310 ( -3.235 -3.704 -0.902) 5.000 17.333 ( -4.062 -1.958 -3.093) 5.468======================= Grid point 460 (99/116) =======================q-point: ( 0.30 0.20 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.531 ( 0.840 6.902 -0.438) 6.966 1.609 ( 1.570 2.036 5.908) 6.443 1.777 ( 3.419 3.955 1.673) 5.489 1.931 ( -0.638 -4.017 3.536) 5.389 2.025 ( -3.331 -2.887 -1.481) 4.650 2.311 ( -0.886 0.004 5.293) 5.367 2.594 ( 2.863 2.121 -2.489) 4.346 2.657 ( -2.485 -0.569 -3.855) 4.621 2.765 ( -1.179 1.759 1.782) 2.768 2.842 ( 1.006 1.449 -1.558) 2.353 2.902 ( 3.614 -0.028 -1.261) 3.828 3.265 ( 1.571 1.989 2.304) 3.426 5.177 ( -1.556 -2.145 -6.846) 7.341 5.997 ( -2.428 3.430 4.470) 6.135 6.278 ( 2.587 -3.745 5.156) 6.877 6.558 ( -0.705 0.861 -5.197) 5.314 6.653 ( 0.571 -1.301 -5.838) 6.008 7.525 ( 0.636 1.343 -0.981) 1.781 7.560 ( -0.892 -1.546 2.644) 3.191 8.195 ( -0.492 3.816 1.317) 4.067 8.379 ( 1.677 -1.070 1.485) 2.483 16.729 ( 0.198 -0.151 0.557) 0.610 16.758 ( 0.274 -0.872 0.097) 0.919 16.859 ( 0.540 1.747 1.368) 2.284 17.150 ( -3.283 -2.868 0.225) 4.365 17.200 ( 1.265 1.162 -4.964) 5.253 17.307 ( -0.306 -1.423 -1.440) 2.048======================= Grid point 461 (100/116) =======================q-point: ( 0.40 0.20 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 504Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.558 ( -4.738 7.209 1.688) 8.790 1.606 ( -3.948 1.449 2.984) 5.156 1.857 ( 2.305 1.950 3.184) 4.388 1.894 ( -2.318 -2.406 1.809) 3.799 2.019 ( 7.166 -3.716 -0.975) 8.131 2.302 ( 1.652 -2.169 5.604) 6.232 2.602 ( -2.637 0.553 -6.627) 7.154 2.653 ( -0.259 2.693 -0.787) 2.817 2.763 ( -0.649 1.260 2.075) 2.513 2.848 ( -0.893 0.425 -1.231) 1.579 2.937 ( 0.840 -1.480 -1.015) 1.982 3.287 ( -0.150 0.177 2.458) 2.469 5.153 ( 0.183 -0.368 -7.115) 7.127 5.992 ( -2.911 5.092 4.568) 7.434 6.284 ( 3.554 -5.829 5.061) 8.498 6.556 ( -0.954 1.627 -5.200) 5.531 6.651 ( 1.099 -1.905 -5.889) 6.287 7.536 ( -0.128 0.272 -0.016) 0.302 7.546 ( 0.142 -0.269 1.745) 1.771 8.212 ( -2.197 4.110 1.271) 4.831 8.384 ( 1.142 -2.521 1.734) 3.265 16.733 ( 0.521 -0.297 0.303) 0.672 16.753 ( 0.357 -1.112 -0.008) 1.168 16.882 ( 0.587 0.176 3.339) 3.395 17.059 ( -4.942 3.323 -2.495) 6.457 17.264 ( 4.027 -0.988 -3.262) 5.276 17.287 ( -0.007 -2.084 -2.036) 2.914======================= Grid point 463 (101/116) =======================q-point: (-0.50 0.20 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.498 ( -9.636 5.713 1.024) 11.248 1.567 ( -2.038 2.319 6.882) 7.542 1.799 ( -4.385 -3.121 0.167) 5.385 1.931 ( 4.654 -0.139 3.695) 5.944 2.094 ( 5.724 -4.830 -3.492) 8.263 2.332 ( 2.987 -1.396 6.128) 6.958 2.556 ( -4.489 2.169 -3.566) 6.129 2.669 ( 0.850 0.901 -3.616) 3.822 2.757 ( -2.391 2.197 2.212) 3.929 2.839 ( -0.626 0.777 -1.365) 1.691 2.898 ( -2.546 -3.058 -0.852) 4.069 3.264 ( -2.566 -0.279 2.365) 3.501 5.176 ( 2.575 0.345 -6.828) 7.306 5.998 ( -1.635 3.682 4.484) 6.028 6.282 ( 2.156 -4.433 4.916) 6.962 6.558 ( -0.452 1.090 -5.177) 5.309 6.653 ( 0.893 -1.174 -5.849) 6.032 7.526 ( -1.487 0.105 -1.003) 1.797 7.560 ( 1.811 -0.016 2.642) 3.203 8.198 ( -2.947 2.132 1.157) 3.817 8.372 ( -0.232 -1.492 1.804) 2.352 16.735 ( 0.235 -0.813 0.240) 0.880 16.754 ( 0.551 -0.273 0.289) 0.680 16.869 ( -1.619 -0.570 1.353) 2.186 17.066 ( -0.576 5.777 0.243) 5.811 17.272 ( 1.660 -3.087 -3.560) 4.996 17.308 ( 2.457 -1.050 -2.694) 3.794======================= Grid point 471 (102/116) =======================q-point: ( 0.30 0.30 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.602 ( 0.649 0.848 5.257) 5.364 1.699 ( 5.028 6.402 0.459) 8.154 1.847 ( -0.798 -3.541 2.506) 4.411 1.868 ( 0.954 3.759 1.722) 4.243 1.965 ( -4.019 -3.588 -1.785) 5.676 2.270 ( -1.402 -2.575 6.202) 6.860 2.617 ( 0.710 0.290 -7.168) 7.209 2.687 ( 1.376 3.000 -0.288) 3.313 2.759 ( -1.111 -1.933 0.373) 2.261 2.877 ( 1.231 1.540 -0.004) 1.972 2.908 ( 0.006 0.280 -0.529) 0.598 3.288 ( 0.298 0.490 2.508) 2.572 5.150 ( -0.369 -0.652 -7.187) 7.226 6.072 ( 2.304 3.942 4.645) 6.513 6.194 ( -2.542 -4.251 4.897) 6.965 6.582 ( 0.789 1.365 -5.368) 5.595 6.623 ( -0.874 -1.522 -5.663) 5.929 7.535 ( -0.262 -0.438 2.183) 2.242 7.548 ( 0.190 0.321 -0.415) 0.558 8.268 ( 1.777 3.315 1.451) 4.031 8.345 ( -1.078 -2.170 1.638) 2.924 16.730 ( -0.010 0.275 0.295) 0.403 16.742 ( -0.246 -0.694 0.172) 0.756 16.879 ( 0.036 0.315 3.479) 3.494 17.134 ( 2.741 1.018 -2.801) 4.049 17.205 ( -2.720 -0.872 -4.911) 5.682 17.279 ( -0.338 -0.983 -0.411) 1.118======================= Grid point 545 (103/116) =======================q-point: ( 0.00 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 58Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.139 ( 0.000 0.000 0.000) 0.000 1.139 ( 0.000 -0.000 0.000) 0.000 1.906 ( 0.000 0.000 0.000) 0.000 2.024 ( 0.000 -0.000 0.000) 0.000 2.024 ( 0.000 0.000 0.000) 0.000 2.397 ( 0.000 -0.000 0.000) 0.000 2.637 ( 0.000 -0.000 0.000) 0.000 2.637 ( 0.000 0.000 0.000) 0.000 2.668 ( 0.000 -0.000 0.000) 0.000 2.668 ( 0.000 0.000 0.000) 0.000 2.702 ( 0.000 0.000 -0.000) 0.000 2.834 ( 0.000 0.000 0.000) 0.000 5.586 ( 0.000 -0.000 0.000) 0.000 6.171 ( 0.000 -0.000 0.000) 0.000 6.171 ( 0.000 -0.000 0.000) 0.000 6.559 ( 0.000 -0.000 0.000) 0.000 6.559 ( 0.000 0.000 0.000) 0.000 7.330 ( 0.000 0.000 0.000) 0.000 7.754 ( 0.000 -0.000 0.000) 0.000 8.128 ( 0.000 0.000 0.000) 0.000 8.128 ( 0.000 0.000 0.000) 0.000 16.767 ( 0.000 -0.000 0.000) 0.000 16.767 ( 0.000 0.000 0.000) 0.000 16.780 ( 0.000 -0.000 0.000) 0.000 16.780 ( 0.000 0.000 0.000) 0.000 17.345 ( -0.000 0.000 0.000) 0.000 17.784 ( 0.000 0.000 0.000) 0.000======================= Grid point 547 (104/116) =======================q-point: ( 0.10 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.165 ( 2.239 1.293 -2.096) 3.329 1.228 ( 7.317 4.225 2.183) 8.727 1.811 ( -5.083 -2.935 -1.549) 6.070 2.039 ( 1.353 0.781 3.014) 3.395 2.118 ( 4.379 2.528 -1.343) 5.231 2.398 ( 0.525 0.303 -0.156) 0.626 2.554 ( -4.849 -2.799 1.036) 5.694 2.607 ( -2.050 -1.184 -0.849) 2.515 2.671 ( 0.181 0.105 -0.429) 0.477 2.696 ( 2.386 1.378 -0.054) 2.756 2.751 ( 2.281 1.317 0.248) 2.645 2.896 ( 4.818 2.782 -0.058) 5.564 5.529 ( -4.824 -2.785 -0.059) 5.571 6.146 ( -2.188 -1.263 0.340) 2.549 6.202 ( 2.695 1.556 -0.228) 3.120 6.551 ( -0.705 -0.407 -0.244) 0.850 6.565 ( 0.481 0.278 0.248) 0.609 7.350 ( 1.677 0.968 -0.001) 1.936 7.741 ( -1.211 -0.699 0.004) 1.399 8.127 ( -0.044 -0.026 0.135) 0.145 8.166 ( 3.235 1.868 -0.184) 3.740 16.765 ( -0.160 -0.093 0.534) 0.565 16.765 ( -0.096 -0.055 -0.082) 0.138 16.781 ( 0.076 0.044 -0.399) 0.408 16.822 ( 3.504 2.023 -0.123) 4.048 17.342 ( -0.224 -0.129 -0.001) 0.259 17.726 ( -4.992 -2.882 0.067) 5.765======================= Grid point 549 (105/116) =======================q-point: ( 0.20 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.228 ( 3.074 1.775 -3.643) 5.086 1.424 ( 9.251 5.341 4.581) 11.623 1.720 ( -2.941 -1.698 -4.977) 6.025 2.087 ( 2.958 1.708 5.713) 6.656 2.151 ( -1.296 -0.748 -0.298) 1.526 2.392 ( -3.283 -1.895 2.222) 4.394 2.512 ( 3.350 1.934 -1.310) 4.084 2.563 ( -1.703 -0.983 -1.992) 2.799 2.671 ( -0.311 -0.180 -0.634) 0.729 2.764 ( 3.164 1.827 0.712) 3.723 2.790 ( 1.580 0.912 -0.536) 1.901 3.025 ( 6.283 3.628 -0.121) 7.256 5.391 ( -7.026 -4.056 -0.193) 8.115 6.082 ( -3.251 -1.877 0.474) 3.783 6.286 ( 4.565 2.636 -0.005) 5.271 6.528 ( -1.278 -0.738 -0.307) 1.507 6.577 ( 0.568 0.328 0.323) 0.731 7.398 ( 2.476 1.430 -0.005) 2.859 7.703 ( -2.097 -1.211 0.019) 2.422 8.126 ( -0.051 -0.029 0.210) 0.218 8.257 ( 4.563 2.635 -0.454) 5.289 16.762 ( -0.121 -0.070 0.811) 0.822 16.766 ( 0.211 0.122 0.072) 0.254 16.782 ( -0.017 -0.010 -0.593) 0.593 16.923 ( 5.132 2.963 -0.877) 5.991 17.335 ( -0.425 -0.245 -0.010) 0.491 17.574 ( -8.136 -4.697 0.572) 9.412======================= Grid point 551 (106/116) =======================q-point: ( 0.30 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.291 ( 2.417 1.395 -3.883) 4.782 1.597 ( 4.816 2.781 5.898) 8.107 1.687 ( 0.931 0.538 -7.454) 7.531 2.092 ( -3.511 -2.027 0.554) 4.092 2.170 ( 4.420 2.552 7.409) 8.997 2.311 ( -2.863 -1.653 3.480) 4.800 2.531 ( -1.295 -0.748 -3.603) 3.901 2.621 ( 4.995 2.884 -2.405) 6.249 2.653 ( -1.253 -0.723 -0.496) 1.529 2.800 ( 0.882 0.509 0.898) 1.358 2.857 ( 3.608 2.083 -0.814) 4.245 3.162 ( 5.731 3.309 -0.110) 6.619 5.238 ( -6.210 -3.585 -0.197) 7.173 6.010 ( -2.989 -1.726 0.409) 3.476 6.392 ( 4.648 2.684 0.269) 5.374 6.497 ( -1.422 -0.821 -0.232) 1.658 6.588 ( 0.413 0.238 0.233) 0.531 7.453 ( 2.244 1.296 -0.003) 2.592 7.652 ( -2.309 -1.333 0.027) 2.667 8.125 ( -0.024 -0.014 0.199) 0.201 8.356 ( 3.976 2.296 -0.594) 4.630 16.760 ( 0.009 0.005 0.968) 0.968 16.780 ( -0.148 -0.085 -0.751) 0.770 16.780 ( 1.246 0.719 0.295) 1.469 17.028 ( 3.564 2.058 -2.638) 4.889 17.320 ( -1.216 -0.702 -0.017) 1.405 17.391 ( -7.136 -4.120 2.093) 8.502======================= Grid point 553 (107/116) =======================q-point: ( 0.40 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.332 ( 1.188 0.686 -2.471) 2.826 1.618 ( -0.707 -0.408 -2.510) 2.640 1.777 ( 5.038 2.909 1.599) 6.033 2.004 ( -4.302 -2.484 0.051) 4.967 2.272 ( -0.833 -0.481 2.374) 2.561 2.275 ( 4.534 2.618 7.176) 8.883 2.500 ( -1.620 -0.935 -5.253) 5.576 2.620 ( -1.444 -0.833 0.181) 1.677 2.712 ( 3.022 1.745 -1.155) 3.675 2.818 ( 0.590 0.340 -0.193) 0.708 2.927 ( 2.383 1.376 -0.201) 2.759 3.267 ( 3.424 1.977 -0.063) 3.955 5.127 ( -3.519 -2.032 -0.103) 4.065 5.956 ( -1.747 -1.009 0.230) 2.030 6.469 ( -0.948 -0.547 -0.115) 1.101 6.480 ( 2.926 1.689 0.296) 3.391 6.595 ( 0.198 0.114 0.071) 0.240 7.493 ( 1.292 0.746 0.000) 1.492 7.607 ( -1.566 -0.904 0.019) 1.808 8.125 ( -0.001 -0.001 0.117) 0.117 8.427 ( 2.242 1.294 -0.420) 2.623 16.762 ( 0.126 0.073 0.929) 0.940 16.776 ( -0.212 -0.122 -0.795) 0.832 16.828 ( 3.109 1.795 0.814) 3.682 17.034 ( -3.651 -2.108 -4.015) 5.821 17.271 ( -0.656 -0.379 2.423) 2.539 17.319 ( -1.138 -0.657 0.600) 1.445======================= Grid point 555 (108/116) =======================q-point: (-0.50 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 141Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.345 ( 0.000 0.000 0.000) 0.000 1.607 ( 0.000 0.000 0.000) 0.000 1.867 ( 0.000 0.000 0.000) 0.000 1.921 ( -0.000 -0.000 0.000) 0.000 2.264 ( 0.000 0.000 0.000) 0.000 2.340 ( 0.000 0.000 0.000) 0.000 2.470 ( -0.000 -0.000 -0.000) 0.000 2.602 ( 0.000 0.000 0.000) 0.000 2.749 ( 0.000 0.000 0.000) 0.000 2.824 ( 0.000 0.000 0.000) 0.000 2.955 ( 0.000 0.000 0.000) 0.000 3.307 ( 0.000 0.000 0.000) 0.000 5.087 ( 0.000 0.000 0.000) 0.000 5.936 ( 0.000 0.000 0.000) 0.000 6.458 ( 0.000 0.000 0.000) 0.000 6.514 ( 0.000 0.000 0.000) 0.000 6.597 ( 0.000 0.000 0.000) 0.000 7.508 ( 0.000 0.000 0.000) 0.000 7.588 ( 0.000 0.000 0.000) 0.000 8.125 ( 0.000 0.000 0.000) 0.000 8.452 ( 0.000 0.000 0.000) 0.000 16.764 ( 0.000 0.000 0.000) 0.000 16.773 ( -0.000 -0.000 -0.000) 0.000 16.918 ( -0.000 -0.000 -0.000) 0.000 16.923 ( 0.000 0.000 0.000) 0.000 17.286 ( 0.000 0.000 0.000) 0.000 17.296 ( -0.000 -0.000 -0.000) 0.000======================= Grid point 569 (109/116) =======================q-point: ( 0.10 0.10 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 255Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.218 ( 2.220 3.845 0.000) 4.440 1.363 ( 5.125 8.876 0.000) 10.249 1.739 ( -2.091 -3.622 0.000) 4.182 2.068 ( 1.230 2.131 0.000) 2.461 2.155 ( 0.001 0.003 0.000) 0.003 2.426 ( 1.424 2.467 0.000) 2.848 2.465 ( -2.934 -5.081 0.000) 5.867 2.598 ( 0.342 0.592 0.000) 0.684 2.676 ( 0.222 0.384 0.000) 0.444 2.739 ( 1.633 2.829 0.000) 3.267 2.774 ( 0.444 0.769 0.000) 0.888 2.988 ( 3.579 6.199 0.000) 7.158 5.432 ( -3.924 -6.796 0.000) 7.848 6.112 ( -1.269 -2.198 0.000) 2.538 6.248 ( 1.852 3.207 0.000) 3.703 6.537 ( -0.567 -0.982 0.000) 1.134 6.572 ( 0.267 0.462 0.000) 0.534 7.384 ( 1.389 2.405 0.000) 2.777 7.715 ( -1.109 -1.920 0.000) 2.218 8.130 ( 0.186 0.322 0.000) 0.372 8.227 ( 2.383 4.127 0.000) 4.766 16.755 ( -0.274 -0.475 0.000) 0.549 16.769 ( 0.046 0.080 -0.000) 0.092 16.785 ( 0.220 0.381 0.000) 0.440 16.892 ( 2.843 4.925 0.000) 5.687 17.337 ( -0.210 -0.364 0.000) 0.420 17.621 ( -4.391 -7.606 0.000) 8.783======================= Grid point 571 (110/116) =======================q-point: ( 0.20 0.10 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.299 ( 1.680 5.294 -2.531) 6.104 1.540 ( 6.351 6.289 3.969) 9.779 1.687 ( -0.974 -1.394 -4.399) 4.717 2.112 ( 2.079 -0.126 3.022) 3.670 2.118 ( -2.038 -2.567 0.860) 3.389 2.371 ( -3.653 0.159 3.231) 4.880 2.485 ( 3.234 -1.454 -3.016) 4.655 2.639 ( 0.543 5.835 -1.254) 5.993 2.675 ( -1.021 0.366 -0.425) 1.165 2.782 ( 0.903 -0.113 1.701) 1.929 2.806 ( 3.616 1.041 -1.335) 3.993 3.117 ( 4.551 5.487 -0.067) 7.129 5.289 ( -5.083 -5.929 -0.113) 7.811 6.061 ( -3.195 -0.405 0.253) 3.230 6.324 ( 4.378 1.221 0.088) 4.546 6.514 ( -1.161 -0.671 -0.148) 1.349 6.581 ( 0.439 0.052 0.158) 0.469 7.436 ( 1.835 2.280 -0.001) 2.927 7.670 ( -1.769 -2.096 0.014) 2.743 8.138 ( -0.203 1.321 0.145) 1.344 8.313 ( 3.484 2.877 -0.341) 4.531 16.749 ( 0.202 -0.701 0.286) 0.784 16.770 ( 0.089 -0.110 -0.021) 0.144 16.796 ( 0.108 1.341 -0.022) 1.346 16.996 ( 3.656 4.362 -1.021) 5.783 17.328 ( -0.488 -0.506 -0.029) 0.704 17.450 ( -6.405 -7.752 0.784) 10.086======================= Grid point 573 (111/116) =======================q-point: ( 0.30 0.10 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.367 ( -0.364 6.264 -2.779) 6.863 1.634 ( -0.673 1.241 -0.125) 1.417 1.722 ( 5.076 3.082 -1.095) 6.038 2.042 ( -3.293 -2.910 0.183) 4.398 2.137 ( 3.984 -5.162 4.969) 8.198 2.356 ( -1.292 4.738 4.835) 6.892 2.502 ( 0.293 -1.221 -4.983) 5.139 2.641 ( -1.761 -0.552 0.016) 1.846 2.714 ( 0.783 5.352 -1.684) 5.665 2.801 ( 1.347 -0.185 0.780) 1.567 2.882 ( 4.047 0.565 -0.447) 4.110 3.233 ( 3.656 3.597 -0.070) 5.130 5.164 ( -3.930 -3.741 -0.107) 5.427 6.006 ( -3.581 1.229 0.227) 3.792 6.405 ( 4.987 -1.345 0.213) 5.170 6.489 ( -1.235 0.041 -0.076) 1.238 6.587 ( 0.478 -0.382 0.085) 0.618 7.483 ( 1.358 1.721 0.002) 2.192 7.621 ( -1.628 -1.767 0.017) 2.403 8.147 ( -0.859 2.330 0.164) 2.488 8.390 ( 3.147 1.049 -0.441) 3.346 16.748 ( 0.596 -0.820 0.490) 1.126 16.770 ( 0.201 -0.524 -0.315) 0.643 16.822 ( 0.962 2.656 0.393) 2.852 17.068 ( -0.333 1.943 -3.458) 3.980 17.281 ( -3.224 -4.160 2.238) 5.719 17.321 ( -0.753 -1.902 0.614) 2.135======================= Grid point 575 (112/116) =======================q-point: ( 0.40 0.10 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.405 ( -2.637 6.644 -1.093) 7.231 1.621 ( -1.162 0.773 -1.600) 2.123 1.838 ( 4.357 3.414 1.511) 5.738 1.953 ( -4.041 -2.626 -0.602) 4.857 2.154 ( 4.850 -7.111 2.302) 8.910 2.400 ( 0.230 5.176 5.704) 7.706 2.470 ( -1.844 -2.053 -6.191) 6.778 2.617 ( -1.034 0.652 0.359) 1.274 2.764 ( -0.075 3.273 -0.202) 3.280 2.815 ( 0.677 -0.638 -0.322) 0.985 2.937 ( 1.975 -0.147 -0.041) 1.981 3.300 ( 1.391 1.226 -0.029) 1.854 5.093 ( -1.410 -1.321 -0.039) 1.933 5.971 ( -2.572 2.549 0.086) 3.623 6.450 ( 2.396 -2.601 0.027) 3.537 6.481 ( 0.449 -0.295 0.089) 0.545 6.590 ( 0.459 -0.672 -0.002) 0.813 7.511 ( 0.302 0.963 0.003) 1.010 7.588 ( -0.536 -0.945 0.007) 1.086 8.153 ( -1.455 2.854 0.069) 3.204 8.434 ( 1.731 -0.647 -0.198) 1.859 16.751 ( 0.662 -0.890 0.328) 1.157 16.767 ( 0.230 -0.638 -0.268) 0.729 16.884 ( 2.990 3.286 1.072) 4.570 16.999 ( -6.122 -0.875 -2.632) 6.721 17.262 ( 2.274 -0.887 1.725) 2.989 17.296 ( -0.820 -1.508 -0.244) 1.734======================= Grid point 591 (113/116) =======================q-point: ( 0.20 0.20 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 255Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.414 ( 3.472 6.013 0.000) 6.943 1.665 ( 3.769 6.528 0.000) 7.538 1.670 ( -0.110 -0.190 -0.000) 0.219 2.056 ( -1.975 -3.420 0.000) 3.949 2.073 ( -1.984 -3.437 -0.000) 3.968 2.398 ( 1.043 1.806 0.000) 2.085 2.483 ( 0.532 0.922 0.000) 1.064 2.659 ( -1.042 -1.804 0.000) 2.083 2.749 ( 2.553 4.421 0.000) 5.105 2.794 ( 0.951 1.647 0.000) 1.902 2.826 ( 0.884 1.531 0.000) 1.768 3.219 ( 2.714 4.700 0.000) 5.427 5.179 ( -2.909 -5.039 0.000) 5.819 6.058 ( -0.074 -0.127 0.000) 0.147 6.339 ( 0.333 0.577 0.000) 0.667 6.503 ( -0.275 -0.476 0.000) 0.549 6.579 ( -0.135 -0.234 0.000) 0.271 7.480 ( 1.249 2.163 0.000) 2.498 7.626 ( -1.315 -2.277 0.000) 2.629 8.173 ( 1.190 2.061 0.000) 2.380 8.362 ( 1.211 2.097 0.000) 2.422 16.739 ( -0.187 -0.324 0.000) 0.374 16.765 ( -0.219 -0.379 0.000) 0.437 16.828 ( 1.169 2.026 0.000) 2.339 17.080 ( 2.260 3.915 0.000) 4.521 17.292 ( -4.616 -7.995 -0.000) 9.231 17.315 ( -0.502 -0.869 0.000) 1.004======================= Grid point 593 (114/116) =======================q-point: ( 0.30 0.20 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.516 ( 0.159 8.439 -0.793) 8.478 1.661 ( -1.952 1.734 -1.394) 2.959 1.798 ( 4.948 4.517 0.437) 6.714 1.986 ( -2.775 -2.854 -1.117) 4.135 2.016 ( 1.859 -6.786 3.287) 7.766 2.411 ( -0.218 -0.844 2.486) 2.634 2.496 ( -0.718 1.104 -3.033) 3.306 2.638 ( -0.254 0.940 0.332) 1.029 2.795 ( 0.590 -0.553 -0.218) 0.837 2.814 ( -1.043 4.396 -0.060) 4.518 2.888 ( 3.755 0.457 -0.025) 3.783 3.290 ( 1.618 2.124 -0.023) 2.671 5.103 ( -1.758 -2.378 -0.024) 2.958 6.053 ( -2.369 3.477 0.043) 4.207 6.350 ( 2.925 -4.132 0.082) 5.063 6.496 ( -0.607 0.701 0.001) 0.927 6.573 ( 0.245 -1.021 -0.005) 1.050 7.514 ( 0.664 1.385 0.003) 1.536 7.588 ( -0.866 -1.515 0.003) 1.745 8.210 ( -0.463 3.839 0.092) 3.868 8.393 ( 1.633 -0.779 -0.170) 1.817 16.736 ( 0.254 -0.397 0.144) 0.493 16.757 ( -0.003 -0.751 -0.111) 0.759 16.875 ( 1.720 2.651 0.328) 3.177 17.099 ( -5.237 1.142 -2.877) 6.083 17.196 ( 2.596 -3.836 2.587) 5.305 17.295 ( -0.665 -1.216 -0.082) 1.388======================= Grid point 595 (115/116) =======================q-point: ( 0.40 0.20 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 255Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.567 ( -5.333 9.238 0.000) 10.667 1.644 ( -0.848 1.468 0.000) 1.696 1.902 ( -0.885 1.533 0.000) 1.770 1.910 ( 0.151 -0.261 0.000) 0.302 2.003 ( 4.750 -8.228 -0.000) 9.501 2.396 ( 1.986 -3.440 0.000) 3.972 2.493 ( -1.544 2.674 -0.000) 3.087 2.648 ( -1.393 2.413 0.000) 2.787 2.791 ( 1.017 -1.762 0.000) 2.034 2.830 ( -1.921 3.327 0.000) 3.841 2.925 ( 0.638 -1.106 0.000) 1.277 3.313 ( -0.142 0.246 0.000) 0.284 5.077 ( 0.254 -0.440 0.000) 0.508 6.049 ( -3.006 5.207 0.000) 6.013 6.355 ( 3.669 -6.354 0.000) 7.337 6.495 ( -0.762 1.320 0.000) 1.525 6.570 ( 0.752 -1.302 0.000) 1.503 7.527 ( -0.367 0.636 0.000) 0.734 7.573 ( 0.345 -0.598 0.000) 0.690 8.225 ( -2.407 4.169 0.000) 4.814 8.402 ( 1.405 -2.434 0.000) 2.810 16.737 ( 0.267 -0.462 -0.000) 0.533 16.753 ( 0.444 -0.769 0.000) 0.888 16.917 ( -0.040 0.070 0.000) 0.081 17.031 ( -2.369 4.104 0.000) 4.739 17.218 ( 2.078 -3.599 0.000) 4.156 17.278 ( 0.192 -0.333 0.000) 0.385======================= Grid point 615 (116/116) =======================q-point: ( 0.30 0.30 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.39e-05 Number of triplets: 255Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.651 ( 2.076 3.596 0.000) 4.152 1.711 ( 2.458 4.257 0.000) 4.916 1.877 ( -1.476 -2.557 0.000) 2.953 1.890 ( 0.226 0.392 0.000) 0.453 1.942 ( -1.225 -2.122 -0.000) 2.450 2.354 ( -1.665 -2.884 0.000) 3.330 2.518 ( 0.356 0.617 0.000) 0.713 2.685 ( 1.820 3.152 0.000) 3.640 2.763 ( -1.408 -2.440 0.000) 2.817 2.877 ( 1.028 1.780 0.000) 2.055 2.901 ( 0.344 0.596 0.000) 0.688 3.315 ( 0.325 0.563 0.000) 0.650 5.073 ( -0.436 -0.756 0.000) 0.873 6.132 ( 2.390 4.140 0.000) 4.780 6.259 ( -2.610 -4.521 0.000) 5.221 6.516 ( 0.657 1.138 0.000) 1.313 6.550 ( -0.713 -1.235 0.000) 1.426 7.533 ( 0.298 0.516 0.000) 0.595 7.567 ( -0.345 -0.598 0.000) 0.690 8.284 ( 1.934 3.350 0.000) 3.869 8.362 ( -1.228 -2.127 0.000) 2.456 16.734 ( 0.074 0.128 0.000) 0.147 16.743 ( -0.337 -0.584 0.000) 0.674 16.915 ( 0.690 1.195 0.000) 1.380 17.108 ( -0.107 -0.185 0.000) 0.213 17.149 ( -0.502 -0.870 0.000) 1.004 17.276 ( -0.366 -0.634 0.000) 0.732=================== End of collection of collisions ===================----------- Thermal conductivity (W/m-k) with tetrahedron method -----------# T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/27000 10.0 142.691 142.691 73.105 0.000 -0.000 -0.000 3/27000 20.0 22.002 22.002 14.283 0.000 0.000 -0.000 3/27000 30.0 10.411 10.411 7.058 0.000 0.000 -0.000 3/27000 40.0 7.010 7.010 4.851 0.000 0.000 -0.000 3/27000 50.0 5.368 5.368 3.818 0.000 0.000 -0.000 3/27000 60.0 4.374 4.374 3.221 0.000 0.000 -0.000 3/27000 70.0 3.701 3.701 2.828 0.000 0.000 -0.000 3/27000 80.0 3.216 3.216 2.545 0.000 0.000 -0.000 3/27000 90.0 2.853 2.853 2.329 0.000 0.000 -0.000 3/27000 100.0 2.576 2.576 2.159 0.000 0.000 -0.000 3/27000 110.0 2.360 2.360 2.022 0.000 0.000 -0.000 3/27000 120.0 2.190 2.190 1.910 0.000 0.000 -0.000 3/27000 130.0 2.055 2.055 1.817 0.000 0.000 -0.000 3/27000 140.0 1.946 1.946 1.739 0.000 0.000 -0.000 3/27000 150.0 1.856 1.856 1.672 0.000 0.000 -0.000 3/27000 160.0 1.781 1.781 1.614 0.000 0.000 -0.000 3/27000 170.0 1.717 1.717 1.562 0.000 0.000 -0.000 3/27000 180.0 1.662 1.662 1.516 0.000 0.000 -0.000 3/27000 190.0 1.613 1.613 1.475 0.000 0.000 -0.000 3/27000 200.0 1.569 1.569 1.436 0.000 0.000 -0.000 3/27000 210.0 1.528 1.528 1.400 0.000 0.000 -0.000 3/27000 220.0 1.491 1.491 1.366 0.000 0.000 -0.000 3/27000 230.0 1.456 1.456 1.334 0.000 0.000 -0.000 3/27000 240.0 1.423 1.423 1.304 0.000 0.000 -0.000 3/27000 250.0 1.391 1.391 1.275 0.000 0.000 -0.000 3/27000 260.0 1.361 1.361 1.247 0.000 0.000 -0.000 3/27000 270.0 1.333 1.333 1.220 0.000 0.000 -0.000 3/27000 280.0 1.305 1.305 1.194 0.000 0.000 -0.000 3/27000 290.0 1.278 1.278 1.168 0.000 0.000 -0.000 3/27000 300.0 1.252 1.252 1.144 0.000 0.000 -0.000 3/27000 310.0 1.227 1.227 1.121 0.000 0.000 -0.000 3/27000 320.0 1.203 1.203 1.098 0.000 0.000 -0.000 3/27000 330.0 1.179 1.179 1.076 0.000 0.000 -0.000 3/27000 340.0 1.157 1.157 1.055 0.000 0.000 -0.000 3/27000 350.0 1.135 1.135 1.034 0.000 0.000 -0.000 3/27000 360.0 1.113 1.113 1.014 0.000 0.000 -0.000 3/27000 370.0 1.092 1.092 0.994 0.000 0.000 -0.000 3/27000 380.0 1.072 1.072 0.976 0.000 0.000 -0.000 3/27000 390.0 1.053 1.053 0.957 0.000 0.000 -0.000 3/27000 400.0 1.034 1.034 0.940 0.000 0.000 -0.000 3/27000 410.0 1.015 1.015 0.923 0.000 0.000 -0.000 3/27000 420.0 0.997 0.997 0.906 0.000 0.000 -0.000 3/27000 430.0 0.980 0.980 0.890 0.000 0.000 -0.000 3/27000 440.0 0.963 0.963 0.874 0.000 0.000 -0.000 3/27000 450.0 0.947 0.947 0.859 0.000 0.000 -0.000 3/27000 460.0 0.931 0.931 0.844 0.000 0.000 -0.000 3/27000 470.0 0.915 0.915 0.830 0.000 0.000 -0.000 3/27000 480.0 0.900 0.900 0.816 0.000 0.000 -0.000 3/27000 490.0 0.886 0.886 0.803 0.000 0.000 -0.000 3/27000 500.0 0.872 0.872 0.790 0.000 0.000 -0.000 3/27000 510.0 0.858 0.858 0.777 0.000 0.000 -0.000 3/27000 520.0 0.845 0.845 0.765 0.000 0.000 -0.000 3/27000 530.0 0.831 0.831 0.753 0.000 0.000 -0.000 3/27000 540.0 0.819 0.819 0.741 0.000 0.000 -0.000 3/27000 550.0 0.806 0.806 0.730 0.000 0.000 -0.000 3/27000 560.0 0.794 0.794 0.719 -0.000 0.000 -0.000 3/27000 570.0 0.783 0.783 0.708 -0.000 0.000 -0.000 3/27000 580.0 0.771 0.771 0.698 -0.000 0.000 -0.000 3/27000 590.0 0.760 0.760 0.687 -0.000 0.000 -0.000 3/27000 600.0 0.750 0.750 0.677 -0.000 0.000 -0.000 3/27000 610.0 0.739 0.739 0.668 -0.000 0.000 -0.000 3/27000 620.0 0.729 0.729 0.658 -0.000 0.000 -0.000 3/27000 630.0 0.719 0.719 0.649 -0.000 0.000 -0.000 3/27000 640.0 0.709 0.709 0.640 -0.000 0.000 -0.000 3/27000 650.0 0.700 0.700 0.632 -0.000 0.000 -0.000 3/27000 660.0 0.690 0.690 0.623 -0.000 0.000 -0.000 3/27000 670.0 0.681 0.681 0.615 -0.000 0.000 -0.000 3/27000 680.0 0.672 0.672 0.607 -0.000 0.000 -0.000 3/27000 690.0 0.664 0.664 0.599 -0.000 0.000 -0.000 3/27000 700.0 0.655 0.655 0.592 -0.000 0.000 -0.000 3/27000 710.0 0.647 0.647 0.584 -0.000 0.000 -0.000 3/27000 720.0 0.639 0.639 0.577 -0.000 0.000 -0.000 3/27000 730.0 0.631 0.631 0.570 -0.000 0.000 -0.000 3/27000 740.0 0.624 0.624 0.563 -0.000 0.000 -0.000 3/27000 750.0 0.616 0.616 0.556 -0.000 0.000 -0.000 3/27000 760.0 0.609 0.609 0.549 -0.000 0.000 -0.000 3/27000 770.0 0.602 0.602 0.543 -0.000 0.000 -0.000 3/27000 780.0 0.595 0.595 0.536 -0.000 0.000 -0.000 3/27000 790.0 0.588 0.588 0.530 -0.000 0.000 -0.000 3/27000 800.0 0.581 0.581 0.524 -0.000 0.000 -0.000 3/27000 810.0 0.575 0.575 0.518 -0.000 0.000 -0.000 3/27000 820.0 0.568 0.568 0.512 -0.000 0.000 -0.000 3/27000 830.0 0.562 0.562 0.507 -0.000 0.000 -0.000 3/27000 840.0 0.556 0.556 0.501 -0.000 0.000 -0.000 3/27000 850.0 0.550 0.550 0.496 -0.000 0.000 -0.000 3/27000 860.0 0.544 0.544 0.490 -0.000 0.000 -0.000 3/27000 870.0 0.538 0.538 0.485 -0.000 0.000 -0.000 3/27000 880.0 0.533 0.533 0.480 -0.000 0.000 -0.000 3/27000 890.0 0.527 0.527 0.475 -0.000 0.000 -0.000 3/27000 900.0 0.522 0.522 0.470 -0.000 0.000 -0.000 3/27000 910.0 0.516 0.516 0.465 -0.000 0.000 -0.000 3/27000 920.0 0.511 0.511 0.460 -0.000 0.000 -0.000 3/27000 930.0 0.506 0.506 0.456 -0.000 0.000 -0.000 3/27000 940.0 0.501 0.501 0.451 -0.000 0.000 -0.000 3/27000 950.0 0.496 0.496 0.447 -0.000 0.000 -0.000 3/27000 960.0 0.491 0.491 0.442 -0.000 0.000 -0.000 3/27000 970.0 0.487 0.487 0.438 -0.000 0.000 -0.000 3/27000 980.0 0.482 0.482 0.434 -0.000 0.000 -0.000 3/27000 990.0 0.477 0.477 0.430 -0.000 0.000 -0.000 3/27000 1000.0 0.473 0.473 0.426 -0.000 0.000 -0.000 3/27000Thermal conductivity related properties were written into "kappa-m101010.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 22:46:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|