# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/32247d03-ce9c-4161-89fe-a84e2f13d0ee/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 KLi6TaO6 / R-3m (166) / materials id 9059](https://mdr.nims.go.jp/datasets/66c2d474-f59d-4650-94a6-9b7ef3b09586) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-07 23:11:04]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [1 1 2] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)Number of symmetry operations in supercell: 72------------------------------ primitive cell ------------------------------Lattice vectors: a 4.097116294925285 2.365471195776311 2.399320163333330 b -4.097116294925277 2.365471195776311 2.399320163333330 c 0.000000000000004 -4.730942391552628 2.399320163333330Atomic positions (fractional): *1 Li 0.65633023065080 0.34366976934920 0.00000000000000 6.941 2 Li 0.34366976934920 0.00000000000000 0.65633023065080 6.941 3 Li 0.00000000000000 0.34366976934920 0.65633023065080 6.941 4 Li 0.65633023065080 0.00000000000000 0.34366976934920 6.941 5 Li 0.34366976934920 0.65633023065080 0.00000000000000 6.941 6 Li 0.00000000000000 0.65633023065080 0.34366976934920 6.941 *7 O 0.27201057295101 0.27201057295101 0.91592834946958 15.999 8 O 0.91592834946958 0.27201057295101 0.27201057295101 15.999 9 O 0.72798942704899 0.72798942704899 0.08407165053042 15.999 10 O 0.08407165053042 0.72798942704899 0.72798942704899 15.999 11 O 0.72798942704899 0.08407165053043 0.72798942704899 15.999 12 O 0.27201057295101 0.91592834946958 0.27201057295101 15.999 *13 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 *14 Ta 0.00000000000000 0.00000000000000 0.00000000000000 180.948-------------------------------- unit cell ---------------------------------Lattice vectors: a 8.194232589850563 0.000000000000000 0.000000000000000 b -4.097116294925281 7.096413587328939 0.000000000000000 c 0.000000000000000 0.000000000000000 7.197960489999999Atomic positions (fractional): *1 Li 0.32299689731747 0.33333333333333 0.33333333333333 6.941 > 1 2 Li 0.01033643601587 0.67700310268253 0.33333333333333 6.941 > 2 3 Li 0.66666666666667 0.67700310268253 0.33333333333333 6.941 > 3 4 Li 0.32299689731747 0.98966356398413 0.33333333333333 6.941 > 4 5 Li 0.01033643601587 0.33333333333333 0.33333333333333 6.941 > 5 6 Li 0.66666666666667 0.98966356398413 0.33333333333333 6.941 > 6 7 Li 0.98966356398413 0.66666666666667 0.66666666666667 6.941 > 1 8 Li 0.67700310268253 0.01033643601587 0.66666666666667 6.941 > 2 9 Li 0.33333333333333 0.01033643601587 0.66666666666667 6.941 > 3 10 Li 0.98966356398413 0.32299689731747 0.66666666666667 6.941 > 4 11 Li 0.67700310268253 0.66666666666667 0.66666666666667 6.941 > 5 12 Li 0.33333333333333 0.32299689731747 0.66666666666667 6.941 > 6 13 Li 0.65633023065080 0.00000000000000 0.00000000000000 6.941 > 1 14 Li 0.34366976934920 0.34366976934920 0.00000000000000 6.941 > 2 15 Li 0.00000000000000 0.34366976934920 0.00000000000000 6.941 > 3 16 Li 0.65633023065080 0.65633023065080 0.00000000000000 6.941 > 4 17 Li 0.34366976934920 0.00000000000000 0.00000000000000 6.941 > 5 18 Li 0.00000000000000 0.65633023065080 0.00000000000000 6.941 > 6 *19 O 0.78536074116048 0.57072148232096 0.48664983179053 15.999 > 7 20 O 0.42927851767904 0.21463925883952 0.48664983179053 15.999 > 8 21 O 0.21463925883952 0.42927851767904 0.51335016820947 15.999 > 9 22 O 0.57072148232096 0.78536074116048 0.51335016820947 15.999 > 10 23 O 0.21463925883952 0.78536074116048 0.51335016820947 15.999 > 11 24 O 0.78536074116048 0.21463925883952 0.48664983179053 15.999 > 12 25 O 0.45202740782715 0.90405481565429 0.81998316512387 15.999 > 7 26 O 0.09594518434571 0.54797259217285 0.81998316512387 15.999 > 8 27 O 0.88130592550619 0.76261185101238 0.84668350154280 15.999 > 9 28 O 0.23738814898762 0.11869407449381 0.84668350154280 15.999 > 10 29 O 0.88130592550619 0.11869407449381 0.84668350154280 15.999 > 11 30 O 0.45202740782715 0.54797259217285 0.81998316512387 15.999 > 12 31 O 0.11869407449381 0.23738814898762 0.15331649845720 15.999 > 7 32 O 0.76261185101238 0.88130592550619 0.15331649845720 15.999 > 8 33 O 0.54797259217285 0.09594518434571 0.18001683487613 15.999 > 9 34 O 0.90405481565429 0.45202740782715 0.18001683487613 15.999 > 10 35 O 0.54797259217285 0.45202740782715 0.18001683487613 15.999 > 11 36 O 0.11869407449381 0.88130592550619 0.15331649845720 15.999 > 12 *37 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 13 38 K 0.66666666666667 0.33333333333333 0.83333333333333 39.098 > 13 39 K 0.33333333333333 0.66666666666667 0.16666666666667 39.098 > 13 *40 Ta 0.00000000000000 0.00000000000000 0.00000000000000 180.948 > 14 41 Ta 0.66666666666667 0.33333333333333 0.33333333333333 180.948 > 14 42 Ta 0.33333333333333 0.66666666666667 0.66666666666667 180.948 > 14-------------------------------- super cell --------------------------------Lattice vectors: a 8.194232589850563 0.000000000000000 0.000000000000000 b -4.097116294925281 7.096413587328939 0.000000000000000 c 0.000000000000000 0.000000000000000 14.395920979999998Atomic positions (fractional): *1 Li 0.32299689731747 0.33333333333333 0.16666666666667 6.941 > 1 2 Li 0.32299689731747 0.33333333333333 0.66666666666667 6.941 > 1 3 Li 0.01033643601587 0.67700310268253 0.16666666666667 6.941 > 2 4 Li 0.01033643601587 0.67700310268253 0.66666666666667 6.941 > 2 5 Li 0.66666666666667 0.67700310268253 0.16666666666667 6.941 > 3 6 Li 0.66666666666667 0.67700310268253 0.66666666666667 6.941 > 3 7 Li 0.32299689731747 0.98966356398413 0.16666666666667 6.941 > 4 8 Li 0.32299689731747 0.98966356398413 0.66666666666667 6.941 > 4 9 Li 0.01033643601587 0.33333333333333 0.16666666666667 6.941 > 5 10 Li 0.01033643601587 0.33333333333333 0.66666666666667 6.941 > 5 11 Li 0.66666666666667 0.98966356398413 0.16666666666667 6.941 > 6 12 Li 0.66666666666667 0.98966356398413 0.66666666666667 6.941 > 6 13 Li 0.98966356398413 0.66666666666667 0.33333333333333 6.941 > 1 14 Li 0.98966356398413 0.66666666666667 0.83333333333333 6.941 > 1 15 Li 0.67700310268253 0.01033643601587 0.33333333333333 6.941 > 2 16 Li 0.67700310268253 0.01033643601587 0.83333333333333 6.941 > 2 17 Li 0.33333333333333 0.01033643601587 0.33333333333333 6.941 > 3 18 Li 0.33333333333333 0.01033643601587 0.83333333333333 6.941 > 3 19 Li 0.98966356398413 0.32299689731747 0.33333333333333 6.941 > 4 20 Li 0.98966356398413 0.32299689731747 0.83333333333333 6.941 > 4 21 Li 0.67700310268253 0.66666666666667 0.33333333333333 6.941 > 5 22 Li 0.67700310268253 0.66666666666667 0.83333333333333 6.941 > 5 23 Li 0.33333333333333 0.32299689731747 0.33333333333333 6.941 > 6 24 Li 0.33333333333333 0.32299689731747 0.83333333333333 6.941 > 6 25 Li 0.65633023065080 0.00000000000000 0.00000000000000 6.941 > 1 26 Li 0.65633023065080 0.00000000000000 0.50000000000000 6.941 > 1 27 Li 0.34366976934920 0.34366976934920 0.00000000000000 6.941 > 2 28 Li 0.34366976934920 0.34366976934920 0.50000000000000 6.941 > 2 29 Li 0.00000000000000 0.34366976934920 0.00000000000000 6.941 > 3 30 Li 0.00000000000000 0.34366976934920 0.50000000000000 6.941 > 3 31 Li 0.65633023065080 0.65633023065080 0.00000000000000 6.941 > 4 32 Li 0.65633023065080 0.65633023065080 0.50000000000000 6.941 > 4 33 Li 0.34366976934920 0.00000000000000 0.00000000000000 6.941 > 5 34 Li 0.34366976934920 0.00000000000000 0.50000000000000 6.941 > 5 35 Li 0.00000000000000 0.65633023065080 0.00000000000000 6.941 > 6 36 Li 0.00000000000000 0.65633023065080 0.50000000000000 6.941 > 6 *37 O 0.78536074116048 0.57072148232096 0.24332491589527 15.999 > 7 38 O 0.78536074116048 0.57072148232096 0.74332491589527 15.999 > 7 39 O 0.42927851767904 0.21463925883952 0.24332491589527 15.999 > 8 40 O 0.42927851767904 0.21463925883952 0.74332491589527 15.999 > 8 41 O 0.21463925883952 0.42927851767904 0.25667508410473 15.999 > 9 42 O 0.21463925883952 0.42927851767904 0.75667508410473 15.999 > 9 43 O 0.57072148232096 0.78536074116048 0.25667508410473 15.999 > 10 44 O 0.57072148232096 0.78536074116048 0.75667508410473 15.999 > 10 45 O 0.21463925883952 0.78536074116048 0.25667508410473 15.999 > 11 46 O 0.21463925883952 0.78536074116048 0.75667508410473 15.999 > 11 47 O 0.78536074116048 0.21463925883952 0.24332491589527 15.999 > 12 48 O 0.78536074116048 0.21463925883952 0.74332491589527 15.999 > 12 49 O 0.45202740782715 0.90405481565429 0.40999158256193 15.999 > 7 50 O 0.45202740782715 0.90405481565429 0.90999158256193 15.999 > 7 51 O 0.09594518434571 0.54797259217285 0.40999158256193 15.999 > 8 52 O 0.09594518434571 0.54797259217285 0.90999158256193 15.999 > 8 53 O 0.88130592550619 0.76261185101238 0.42334175077140 15.999 > 9 54 O 0.88130592550619 0.76261185101238 0.92334175077140 15.999 > 9 55 O 0.23738814898762 0.11869407449381 0.42334175077140 15.999 > 10 56 O 0.23738814898762 0.11869407449381 0.92334175077140 15.999 > 10 57 O 0.88130592550619 0.11869407449381 0.42334175077140 15.999 > 11 58 O 0.88130592550619 0.11869407449381 0.92334175077140 15.999 > 11 59 O 0.45202740782715 0.54797259217285 0.40999158256193 15.999 > 12 60 O 0.45202740782715 0.54797259217285 0.90999158256193 15.999 > 12 61 O 0.11869407449381 0.23738814898762 0.07665824922860 15.999 > 7 62 O 0.11869407449381 0.23738814898762 0.57665824922860 15.999 > 7 63 O 0.76261185101238 0.88130592550619 0.07665824922860 15.999 > 8 64 O 0.76261185101238 0.88130592550619 0.57665824922860 15.999 > 8 65 O 0.54797259217285 0.09594518434571 0.09000841743807 15.999 > 9 66 O 0.54797259217285 0.09594518434571 0.59000841743807 15.999 > 9 67 O 0.90405481565429 0.45202740782715 0.09000841743807 15.999 > 10 68 O 0.90405481565429 0.45202740782715 0.59000841743807 15.999 > 10 69 O 0.54797259217285 0.45202740782715 0.09000841743807 15.999 > 11 70 O 0.54797259217285 0.45202740782715 0.59000841743807 15.999 > 11 71 O 0.11869407449381 0.88130592550619 0.07665824922860 15.999 > 12 72 O 0.11869407449381 0.88130592550619 0.57665824922860 15.999 > 12 *73 K 0.00000000000000 0.00000000000000 0.25000000000000 39.098 > 13 74 K 0.00000000000000 0.00000000000000 0.75000000000000 39.098 > 13 75 K 0.66666666666667 0.33333333333333 0.41666666666667 39.098 > 13 76 K 0.66666666666667 0.33333333333333 0.91666666666667 39.098 > 13 77 K 0.33333333333333 0.66666666666667 0.08333333333333 39.098 > 13 78 K 0.33333333333333 0.66666666666667 0.58333333333333 39.098 > 13 *79 Ta 0.00000000000000 0.00000000000000 0.00000000000000 180.948 > 14 80 Ta 0.00000000000000 0.00000000000000 0.50000000000000 180.948 > 14 81 Ta 0.66666666666667 0.33333333333333 0.16666666666667 180.948 > 14 82 Ta 0.66666666666667 0.33333333333333 0.66666666666667 180.948 > 14 83 Ta 0.33333333333333 0.66666666666667 0.33333333333333 180.948 > 14 84 Ta 0.33333333333333 0.66666666666667 0.83333333333333 180.948 > 14----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 3.4774498 0.0000000 0.0000000 -0.0000000 3.4774498 0.0000000 0.0000000 0.0000000 3.3599893-------------------------- Born effective charges -------------------------- 1 Li 1.1479065 -0.0000000 0.0000000 -0.0000000 0.8177701 0.2893109 0.0000000 0.1717916 0.9589041 2 Li 0.9003042 0.1429532 0.2505506 0.1429532 1.0653724 -0.1446555 0.1487759 -0.0858958 0.9589041 3 Li 0.9003042 -0.1429532 -0.2505506 -0.1429532 1.0653724 -0.1446555 -0.1487759 -0.0858958 0.9589041 4 Li 0.9003042 0.1429532 0.2505506 0.1429532 1.0653724 -0.1446555 0.1487759 -0.0858958 0.9589041 5 Li 1.1479065 -0.0000000 0.0000000 -0.0000000 0.8177701 0.2893109 0.0000000 0.1717916 0.9589041 6 Li 0.9003042 -0.1429532 -0.2505506 -0.1429532 1.0653724 -0.1446555 -0.1487759 -0.0858958 0.9589041 7 O -1.5933866 -0.0000000 0.0000000 0.0000000 -2.6969420 -0.8647811 0.0000000 -0.9190772 -2.0527161 8 O -2.4210532 -0.4778535 0.7489224 -0.4778535 -1.8692755 0.4323906 0.7959442 0.4595386 -2.0527161 9 O -1.5933866 -0.0000000 0.0000000 0.0000000 -2.6969420 -0.8647811 0.0000000 -0.9190772 -2.0527161 10 O -2.4210532 -0.4778535 0.7489224 -0.4778535 -1.8692755 0.4323906 0.7959442 0.4595386 -2.0527161 11 O -2.4210532 0.4778535 -0.7489224 0.4778535 -1.8692755 0.4323906 -0.7959442 0.4595386 -2.0527161 12 O -2.4210532 0.4778535 -0.7489224 0.4778535 -1.8692755 0.4323906 -0.7959442 0.4595386 -2.0527161 13 K 1.2188054 -0.0000000 0.0000000 -0.0000000 1.2188054 -0.0000000 0.0000000 -0.0000000 1.4312277 14 Ta 5.7551510 0.0000000 0.0000000 -0.0000000 5.7551510 -0.0000000 0.0000000 -0.0000000 5.1316440----------------------------------------------------------------------------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: 252/252Permutation basis: 6666/6666Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 513Number of blocks in projector: 304Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 235Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 192Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 86Use standard eigh solver.Tree of FC basis block matrices:- (513, 499), data: False|-- (86, 82), data: True|-- (192, 188), data: True|-- (235, 229), data: True-----Solver_atoms: 1 -- 84 / 84Time (Solver_compr_matrix_reshape): 0.006Solver_block: 100 / 160 - Time: 0.312Solver_block: 160 / 160 - Time: 0.212Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.535--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 252/252Permutation basis: 6666/6666Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 513Number of blocks in projector: 304Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 235Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 192Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 86Use standard eigh solver.Tree of FC basis block matrices:- (513, 499), data: False|-- (86, 82), data: True|-- (192, 188), data: True|-- (235, 229), data: TrueMax drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-07 23:11:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 23:11:10]-------------------------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): [1 1 2]Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)------------------------------ primitive cell ------------------------------Lattice vectors: a 4.097116294925285 2.365471195776311 2.399320163333330 b -4.097116294925277 2.365471195776311 2.399320163333330 c 0.000000000000004 -4.730942391552628 2.399320163333330Atomic positions (fractional): 1 Li 0.65633023065080 0.34366976934920 0.00000000000000 6.941 2 Li 0.34366976934920 0.00000000000000 0.65633023065080 6.941 3 Li 0.00000000000000 0.34366976934920 0.65633023065080 6.941 4 Li 0.65633023065080 0.00000000000000 0.34366976934920 6.941 5 Li 0.34366976934920 0.65633023065080 0.00000000000000 6.941 6 Li 0.00000000000000 0.65633023065080 0.34366976934920 6.941 7 O 0.27201057295101 0.27201057295101 0.91592834946958 15.999 8 O 0.91592834946958 0.27201057295101 0.27201057295101 15.999 9 O 0.72798942704899 0.72798942704899 0.08407165053042 15.999 10 O 0.08407165053042 0.72798942704899 0.72798942704899 15.999 11 O 0.72798942704899 0.08407165053043 0.72798942704899 15.999 12 O 0.27201057295101 0.91592834946958 0.27201057295101 15.999 13 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 14 Ta 0.00000000000000 0.00000000000000 0.00000000000000 180.948-------------------------------- supercell ---------------------------------Lattice vectors: a 8.194232589850563 0.000000000000000 0.000000000000000 b -4.097116294925281 7.096413587328939 0.000000000000000 c 0.000000000000000 0.000000000000000 14.395920979999998Atomic positions (fractional): 1 Li 0.32299689731747 0.33333333333333 0.16666666666667 6.941 > 1 2 Li 0.32299689731747 0.33333333333333 0.66666666666667 6.941 > 1 3 Li 0.01033643601587 0.67700310268253 0.16666666666667 6.941 > 3 4 Li 0.01033643601587 0.67700310268253 0.66666666666667 6.941 > 3 5 Li 0.66666666666667 0.67700310268253 0.16666666666667 6.941 > 5 6 Li 0.66666666666667 0.67700310268253 0.66666666666667 6.941 > 5 7 Li 0.32299689731747 0.98966356398413 0.16666666666667 6.941 > 7 8 Li 0.32299689731747 0.98966356398413 0.66666666666667 6.941 > 7 9 Li 0.01033643601587 0.33333333333333 0.16666666666667 6.941 > 9 10 Li 0.01033643601587 0.33333333333333 0.66666666666667 6.941 > 9 11 Li 0.66666666666667 0.98966356398413 0.16666666666667 6.941 > 11 12 Li 0.66666666666667 0.98966356398413 0.66666666666667 6.941 > 11 13 Li 0.98966356398413 0.66666666666667 0.33333333333333 6.941 > 1 14 Li 0.98966356398413 0.66666666666667 0.83333333333333 6.941 > 1 15 Li 0.67700310268253 0.01033643601587 0.33333333333333 6.941 > 3 16 Li 0.67700310268253 0.01033643601587 0.83333333333333 6.941 > 3 17 Li 0.33333333333333 0.01033643601587 0.33333333333333 6.941 > 5 18 Li 0.33333333333333 0.01033643601587 0.83333333333333 6.941 > 5 19 Li 0.98966356398413 0.32299689731747 0.33333333333333 6.941 > 7 20 Li 0.98966356398413 0.32299689731747 0.83333333333333 6.941 > 7 21 Li 0.67700310268253 0.66666666666667 0.33333333333333 6.941 > 9 22 Li 0.67700310268253 0.66666666666667 0.83333333333333 6.941 > 9 23 Li 0.33333333333333 0.32299689731747 0.33333333333333 6.941 > 11 24 Li 0.33333333333333 0.32299689731747 0.83333333333333 6.941 > 11 25 Li 0.65633023065080 0.00000000000000 0.00000000000000 6.941 > 1 26 Li 0.65633023065080 0.00000000000000 0.50000000000000 6.941 > 1 27 Li 0.34366976934920 0.34366976934920 0.00000000000000 6.941 > 3 28 Li 0.34366976934920 0.34366976934920 0.50000000000000 6.941 > 3 29 Li 0.00000000000000 0.34366976934920 0.00000000000000 6.941 > 5 30 Li 0.00000000000000 0.34366976934920 0.50000000000000 6.941 > 5 31 Li 0.65633023065080 0.65633023065080 0.00000000000000 6.941 > 7 32 Li 0.65633023065080 0.65633023065080 0.50000000000000 6.941 > 7 33 Li 0.34366976934920 0.00000000000000 0.00000000000000 6.941 > 9 34 Li 0.34366976934920 0.00000000000000 0.50000000000000 6.941 > 9 35 Li 0.00000000000000 0.65633023065080 0.00000000000000 6.941 > 11 36 Li 0.00000000000000 0.65633023065080 0.50000000000000 6.941 > 11 37 O 0.78536074116048 0.57072148232096 0.24332491589527 15.999 > 37 38 O 0.78536074116048 0.57072148232096 0.74332491589527 15.999 > 37 39 O 0.42927851767904 0.21463925883952 0.24332491589527 15.999 > 39 40 O 0.42927851767904 0.21463925883952 0.74332491589527 15.999 > 39 41 O 0.21463925883952 0.42927851767904 0.25667508410473 15.999 > 41 42 O 0.21463925883952 0.42927851767904 0.75667508410473 15.999 > 41 43 O 0.57072148232096 0.78536074116048 0.25667508410473 15.999 > 43 44 O 0.57072148232096 0.78536074116048 0.75667508410473 15.999 > 43 45 O 0.21463925883952 0.78536074116048 0.25667508410473 15.999 > 45 46 O 0.21463925883952 0.78536074116048 0.75667508410473 15.999 > 45 47 O 0.78536074116048 0.21463925883952 0.24332491589527 15.999 > 47 48 O 0.78536074116048 0.21463925883952 0.74332491589527 15.999 > 47 49 O 0.45202740782715 0.90405481565429 0.40999158256193 15.999 > 37 50 O 0.45202740782715 0.90405481565429 0.90999158256193 15.999 > 37 51 O 0.09594518434571 0.54797259217285 0.40999158256193 15.999 > 39 52 O 0.09594518434571 0.54797259217285 0.90999158256193 15.999 > 39 53 O 0.88130592550619 0.76261185101238 0.42334175077140 15.999 > 41 54 O 0.88130592550619 0.76261185101238 0.92334175077140 15.999 > 41 55 O 0.23738814898762 0.11869407449381 0.42334175077140 15.999 > 43 56 O 0.23738814898762 0.11869407449381 0.92334175077140 15.999 > 43 57 O 0.88130592550619 0.11869407449381 0.42334175077140 15.999 > 45 58 O 0.88130592550619 0.11869407449381 0.92334175077140 15.999 > 45 59 O 0.45202740782715 0.54797259217285 0.40999158256193 15.999 > 47 60 O 0.45202740782715 0.54797259217285 0.90999158256193 15.999 > 47 61 O 0.11869407449381 0.23738814898762 0.07665824922860 15.999 > 37 62 O 0.11869407449381 0.23738814898762 0.57665824922860 15.999 > 37 63 O 0.76261185101238 0.88130592550619 0.07665824922860 15.999 > 39 64 O 0.76261185101238 0.88130592550619 0.57665824922860 15.999 > 39 65 O 0.54797259217285 0.09594518434571 0.09000841743807 15.999 > 41 66 O 0.54797259217285 0.09594518434571 0.59000841743807 15.999 > 41 67 O 0.90405481565429 0.45202740782715 0.09000841743807 15.999 > 43 68 O 0.90405481565429 0.45202740782715 0.59000841743807 15.999 > 43 69 O 0.54797259217285 0.45202740782715 0.09000841743807 15.999 > 45 70 O 0.54797259217285 0.45202740782715 0.59000841743807 15.999 > 45 71 O 0.11869407449381 0.88130592550619 0.07665824922860 15.999 > 47 72 O 0.11869407449381 0.88130592550619 0.57665824922860 15.999 > 47 73 K 0.00000000000000 0.00000000000000 0.25000000000000 39.098 > 73 74 K 0.00000000000000 0.00000000000000 0.75000000000000 39.098 > 73 75 K 0.66666666666667 0.33333333333333 0.41666666666667 39.098 > 73 76 K 0.66666666666667 0.33333333333333 0.91666666666667 39.098 > 73 77 K 0.33333333333333 0.66666666666667 0.08333333333333 39.098 > 73 78 K 0.33333333333333 0.66666666666667 0.58333333333333 39.098 > 73 79 Ta 0.00000000000000 0.00000000000000 0.00000000000000 180.948 > 79 80 Ta 0.00000000000000 0.00000000000000 0.50000000000000 180.948 > 79 81 Ta 0.66666666666667 0.33333333333333 0.16666666666667 180.948 > 79 82 Ta 0.66666666666667 0.33333333333333 0.66666666666667 180.948 > 79 83 Ta 0.33333333333333 0.66666666666667 0.33333333333333 180.948 > 79 84 Ta 0.33333333333333 0.66666666666667 0.83333333333333 180.948 > 79----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 3.4774498 0.0000000 0.0000000 -0.0000000 3.4774498 0.0000000 0.0000000 0.0000000 3.3599893-------------------------- Born effective charges -------------------------- 1 Li 1.1479065 -0.0000000 0.0000000 -0.0000000 0.8177701 0.2893109 0.0000000 0.1717916 0.9589041 2 Li 0.9003042 0.1429532 0.2505506 0.1429532 1.0653724 -0.1446555 0.1487759 -0.0858958 0.9589041 3 Li 0.9003042 -0.1429532 -0.2505506 -0.1429532 1.0653724 -0.1446555 -0.1487759 -0.0858958 0.9589041 4 Li 0.9003042 0.1429532 0.2505506 0.1429532 1.0653724 -0.1446555 0.1487759 -0.0858958 0.9589041 5 Li 1.1479065 -0.0000000 0.0000000 -0.0000000 0.8177701 0.2893109 0.0000000 0.1717916 0.9589041 6 Li 0.9003042 -0.1429532 -0.2505506 -0.1429532 1.0653724 -0.1446555 -0.1487759 -0.0858958 0.9589041 7 O -1.5933866 -0.0000000 0.0000000 0.0000000 -2.6969420 -0.8647811 0.0000000 -0.9190772 -2.0527161 8 O -2.4210532 -0.4778535 0.7489224 -0.4778535 -1.8692755 0.4323906 0.7959442 0.4595386 -2.0527161 9 O -1.5933866 -0.0000000 0.0000000 0.0000000 -2.6969420 -0.8647811 0.0000000 -0.9190772 -2.0527161 10 O -2.4210532 -0.4778535 0.7489224 -0.4778535 -1.8692755 0.4323906 0.7959442 0.4595386 -2.0527161 11 O -2.4210532 0.4778535 -0.7489224 0.4778535 -1.8692755 0.4323906 -0.7959442 0.4595386 -2.0527161 12 O -2.4210532 0.4778535 -0.7489224 0.4778535 -1.8692755 0.4323906 -0.7959442 0.4595386 -2.0527161 13 K 1.2188054 -0.0000000 0.0000000 -0.0000000 1.2188054 -0.0000000 0.0000000 -0.0000000 1.4312277 14 Ta 5.7551510 0.0000000 0.0000000 -0.0000000 5.7551510 -0.0000000 0.0000000 -0.0000000 5.1316440----------------------------------------------------------------------------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[ 37, 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[ 79, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: -0.00000000 (xyx) -0.00000000 (xyx) -0.00000000 (xxy)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 23:11:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 23:11:17]-------------------------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): [1 1 2]Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)------------------------------ primitive cell ------------------------------Lattice vectors: a 4.097116294925285 2.365471195776311 2.399320163333330 b -4.097116294925277 2.365471195776311 2.399320163333330 c 0.000000000000004 -4.730942391552628 2.399320163333330Atomic positions (fractional): 1 Li 0.65633023065080 0.34366976934920 0.00000000000000 6.941 2 Li 0.34366976934920 0.00000000000000 0.65633023065080 6.941 3 Li 0.00000000000000 0.34366976934920 0.65633023065080 6.941 4 Li 0.65633023065080 0.00000000000000 0.34366976934920 6.941 5 Li 0.34366976934920 0.65633023065080 0.00000000000000 6.941 6 Li 0.00000000000000 0.65633023065080 0.34366976934920 6.941 7 O 0.27201057295101 0.27201057295101 0.91592834946958 15.999 8 O 0.91592834946958 0.27201057295101 0.27201057295101 15.999 9 O 0.72798942704899 0.72798942704899 0.08407165053042 15.999 10 O 0.08407165053042 0.72798942704899 0.72798942704899 15.999 11 O 0.72798942704899 0.08407165053043 0.72798942704899 15.999 12 O 0.27201057295101 0.91592834946958 0.27201057295101 15.999 13 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 14 Ta 0.00000000000000 0.00000000000000 0.00000000000000 180.948-------------------------------- supercell ---------------------------------Lattice vectors: a 8.194232589850563 0.000000000000000 0.000000000000000 b -4.097116294925281 7.096413587328939 0.000000000000000 c 0.000000000000000 0.000000000000000 14.395920979999998Atomic positions (fractional): 1 Li 0.32299689731747 0.33333333333333 0.16666666666667 6.941 > 1 2 Li 0.32299689731747 0.33333333333333 0.66666666666667 6.941 > 1 3 Li 0.01033643601587 0.67700310268253 0.16666666666667 6.941 > 3 4 Li 0.01033643601587 0.67700310268253 0.66666666666667 6.941 > 3 5 Li 0.66666666666667 0.67700310268253 0.16666666666667 6.941 > 5 6 Li 0.66666666666667 0.67700310268253 0.66666666666667 6.941 > 5 7 Li 0.32299689731747 0.98966356398413 0.16666666666667 6.941 > 7 8 Li 0.32299689731747 0.98966356398413 0.66666666666667 6.941 > 7 9 Li 0.01033643601587 0.33333333333333 0.16666666666667 6.941 > 9 10 Li 0.01033643601587 0.33333333333333 0.66666666666667 6.941 > 9 11 Li 0.66666666666667 0.98966356398413 0.16666666666667 6.941 > 11 12 Li 0.66666666666667 0.98966356398413 0.66666666666667 6.941 > 11 13 Li 0.98966356398413 0.66666666666667 0.33333333333333 6.941 > 1 14 Li 0.98966356398413 0.66666666666667 0.83333333333333 6.941 > 1 15 Li 0.67700310268253 0.01033643601587 0.33333333333333 6.941 > 3 16 Li 0.67700310268253 0.01033643601587 0.83333333333333 6.941 > 3 17 Li 0.33333333333333 0.01033643601587 0.33333333333333 6.941 > 5 18 Li 0.33333333333333 0.01033643601587 0.83333333333333 6.941 > 5 19 Li 0.98966356398413 0.32299689731747 0.33333333333333 6.941 > 7 20 Li 0.98966356398413 0.32299689731747 0.83333333333333 6.941 > 7 21 Li 0.67700310268253 0.66666666666667 0.33333333333333 6.941 > 9 22 Li 0.67700310268253 0.66666666666667 0.83333333333333 6.941 > 9 23 Li 0.33333333333333 0.32299689731747 0.33333333333333 6.941 > 11 24 Li 0.33333333333333 0.32299689731747 0.83333333333333 6.941 > 11 25 Li 0.65633023065080 0.00000000000000 0.00000000000000 6.941 > 1 26 Li 0.65633023065080 0.00000000000000 0.50000000000000 6.941 > 1 27 Li 0.34366976934920 0.34366976934920 0.00000000000000 6.941 > 3 28 Li 0.34366976934920 0.34366976934920 0.50000000000000 6.941 > 3 29 Li 0.00000000000000 0.34366976934920 0.00000000000000 6.941 > 5 30 Li 0.00000000000000 0.34366976934920 0.50000000000000 6.941 > 5 31 Li 0.65633023065080 0.65633023065080 0.00000000000000 6.941 > 7 32 Li 0.65633023065080 0.65633023065080 0.50000000000000 6.941 > 7 33 Li 0.34366976934920 0.00000000000000 0.00000000000000 6.941 > 9 34 Li 0.34366976934920 0.00000000000000 0.50000000000000 6.941 > 9 35 Li 0.00000000000000 0.65633023065080 0.00000000000000 6.941 > 11 36 Li 0.00000000000000 0.65633023065080 0.50000000000000 6.941 > 11 37 O 0.78536074116048 0.57072148232096 0.24332491589527 15.999 > 37 38 O 0.78536074116048 0.57072148232096 0.74332491589527 15.999 > 37 39 O 0.42927851767904 0.21463925883952 0.24332491589527 15.999 > 39 40 O 0.42927851767904 0.21463925883952 0.74332491589527 15.999 > 39 41 O 0.21463925883952 0.42927851767904 0.25667508410473 15.999 > 41 42 O 0.21463925883952 0.42927851767904 0.75667508410473 15.999 > 41 43 O 0.57072148232096 0.78536074116048 0.25667508410473 15.999 > 43 44 O 0.57072148232096 0.78536074116048 0.75667508410473 15.999 > 43 45 O 0.21463925883952 0.78536074116048 0.25667508410473 15.999 > 45 46 O 0.21463925883952 0.78536074116048 0.75667508410473 15.999 > 45 47 O 0.78536074116048 0.21463925883952 0.24332491589527 15.999 > 47 48 O 0.78536074116048 0.21463925883952 0.74332491589527 15.999 > 47 49 O 0.45202740782715 0.90405481565429 0.40999158256193 15.999 > 37 50 O 0.45202740782715 0.90405481565429 0.90999158256193 15.999 > 37 51 O 0.09594518434571 0.54797259217285 0.40999158256193 15.999 > 39 52 O 0.09594518434571 0.54797259217285 0.90999158256193 15.999 > 39 53 O 0.88130592550619 0.76261185101238 0.42334175077140 15.999 > 41 54 O 0.88130592550619 0.76261185101238 0.92334175077140 15.999 > 41 55 O 0.23738814898762 0.11869407449381 0.42334175077140 15.999 > 43 56 O 0.23738814898762 0.11869407449381 0.92334175077140 15.999 > 43 57 O 0.88130592550619 0.11869407449381 0.42334175077140 15.999 > 45 58 O 0.88130592550619 0.11869407449381 0.92334175077140 15.999 > 45 59 O 0.45202740782715 0.54797259217285 0.40999158256193 15.999 > 47 60 O 0.45202740782715 0.54797259217285 0.90999158256193 15.999 > 47 61 O 0.11869407449381 0.23738814898762 0.07665824922860 15.999 > 37 62 O 0.11869407449381 0.23738814898762 0.57665824922860 15.999 > 37 63 O 0.76261185101238 0.88130592550619 0.07665824922860 15.999 > 39 64 O 0.76261185101238 0.88130592550619 0.57665824922860 15.999 > 39 65 O 0.54797259217285 0.09594518434571 0.09000841743807 15.999 > 41 66 O 0.54797259217285 0.09594518434571 0.59000841743807 15.999 > 41 67 O 0.90405481565429 0.45202740782715 0.09000841743807 15.999 > 43 68 O 0.90405481565429 0.45202740782715 0.59000841743807 15.999 > 43 69 O 0.54797259217285 0.45202740782715 0.09000841743807 15.999 > 45 70 O 0.54797259217285 0.45202740782715 0.59000841743807 15.999 > 45 71 O 0.11869407449381 0.88130592550619 0.07665824922860 15.999 > 47 72 O 0.11869407449381 0.88130592550619 0.57665824922860 15.999 > 47 73 K 0.00000000000000 0.00000000000000 0.25000000000000 39.098 > 73 74 K 0.00000000000000 0.00000000000000 0.75000000000000 39.098 > 73 75 K 0.66666666666667 0.33333333333333 0.41666666666667 39.098 > 73 76 K 0.66666666666667 0.33333333333333 0.91666666666667 39.098 > 73 77 K 0.33333333333333 0.66666666666667 0.08333333333333 39.098 > 73 78 K 0.33333333333333 0.66666666666667 0.58333333333333 39.098 > 73 79 Ta 0.00000000000000 0.00000000000000 0.00000000000000 180.948 > 79 80 Ta 0.00000000000000 0.00000000000000 0.50000000000000 180.948 > 79 81 Ta 0.66666666666667 0.33333333333333 0.16666666666667 180.948 > 79 82 Ta 0.66666666666667 0.33333333333333 0.66666666666667 180.948 > 79 83 Ta 0.33333333333333 0.66666666666667 0.33333333333333 180.948 > 79 84 Ta 0.33333333333333 0.66666666666667 0.83333333333333 180.948 > 79----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 3.4774498 0.0000000 0.0000000 -0.0000000 3.4774498 0.0000000 0.0000000 0.0000000 3.3599893-------------------------- Born effective charges -------------------------- 1 Li 1.1479065 -0.0000000 0.0000000 -0.0000000 0.8177701 0.2893109 0.0000000 0.1717916 0.9589041 2 Li 0.9003042 0.1429532 0.2505506 0.1429532 1.0653724 -0.1446555 0.1487759 -0.0858958 0.9589041 3 Li 0.9003042 -0.1429532 -0.2505506 -0.1429532 1.0653724 -0.1446555 -0.1487759 -0.0858958 0.9589041 4 Li 0.9003042 0.1429532 0.2505506 0.1429532 1.0653724 -0.1446555 0.1487759 -0.0858958 0.9589041 5 Li 1.1479065 -0.0000000 0.0000000 -0.0000000 0.8177701 0.2893109 0.0000000 0.1717916 0.9589041 6 Li 0.9003042 -0.1429532 -0.2505506 -0.1429532 1.0653724 -0.1446555 -0.1487759 -0.0858958 0.9589041 7 O -1.5933866 -0.0000000 0.0000000 0.0000000 -2.6969420 -0.8647811 0.0000000 -0.9190772 -2.0527161 8 O -2.4210532 -0.4778535 0.7489224 -0.4778535 -1.8692755 0.4323906 0.7959442 0.4595386 -2.0527161 9 O -1.5933866 -0.0000000 0.0000000 0.0000000 -2.6969420 -0.8647811 0.0000000 -0.9190772 -2.0527161 10 O -2.4210532 -0.4778535 0.7489224 -0.4778535 -1.8692755 0.4323906 0.7959442 0.4595386 -2.0527161 11 O -2.4210532 0.4778535 -0.7489224 0.4778535 -1.8692755 0.4323906 -0.7959442 0.4595386 -2.0527161 12 O -2.4210532 0.4778535 -0.7489224 0.4778535 -1.8692755 0.4323906 -0.7959442 0.4595386 -2.0527161 13 K 1.2188054 -0.0000000 0.0000000 -0.0000000 1.2188054 -0.0000000 0.0000000 -0.0000000 1.4312277 14 Ta 5.7551510 0.0000000 0.0000000 -0.0000000 5.7551510 -0.0000000 0.0000000 -0.0000000 5.1316440----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000000 (xyx) -0.00000000 (xyx) -0.00000000 (xxy)Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 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: 0.80, Number of G-points: 321, Lambda: 0.15Running 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: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 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 3.040 ( 0.000 0.000 0.000) 0.000 3.529 ( 0.000 0.000 0.000) 0.000 3.529 ( 0.000 0.000 0.000) 0.000 3.869 ( 0.000 0.000 0.000) 0.000 6.709 ( 0.000 0.000 0.000) 0.000 7.833 ( 0.000 0.000 0.000) 0.000 7.833 ( 0.000 0.000 0.000) 0.000 8.596 ( 0.000 0.000 0.000) 0.000 8.596 ( 0.000 0.000 0.000) 0.000 9.832 ( 0.000 0.000 0.000) 0.000 9.832 ( 0.000 0.000 0.000) 0.000 10.806 ( 0.000 0.000 0.000) 0.000 11.262 ( 0.000 0.000 0.000) 0.000 11.611 ( 0.000 0.000 0.000) 0.000 11.611 ( 0.000 0.000 0.000) 0.000 11.820 ( 0.000 0.000 0.000) 0.000 11.820 ( 0.000 0.000 0.000) 0.000 11.865 ( 0.000 0.000 0.000) 0.000 12.640 ( 0.000 0.000 0.000) 0.000 12.847 ( 0.000 0.000 0.000) 0.000 13.167 ( 0.000 0.000 0.000) 0.000 13.606 ( 0.000 0.000 0.000) 0.000 13.606 ( 0.000 0.000 0.000) 0.000 13.728 ( 0.000 0.000 0.000) 0.000 14.904 ( 0.000 0.000 0.000) 0.000 14.904 ( 0.000 0.000 0.000) 0.000 15.506 ( 0.000 0.000 0.000) 0.000 16.028 ( 0.000 0.000 0.000) 0.000 16.028 ( 0.000 0.000 0.000) 0.000 16.047 ( 0.000 0.000 0.000) 0.000 16.047 ( 0.000 0.000 0.000) 0.000 16.706 ( 0.000 0.000 0.000) 0.000 16.866 ( 0.000 0.000 0.000) 0.000 16.866 ( 0.000 0.000 0.000) 0.000 17.662 ( 0.000 0.000 0.000) 0.000 17.662 ( 0.000 0.000 0.000) 0.000 18.494 ( 0.000 0.000 0.000) 0.000 18.494 ( 0.000 0.000 0.000) 0.000 21.580 ( 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: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.418 ( 9.329 5.386 20.366) 23.039 0.707 ( 9.756 5.633 39.122) 40.711 1.391 ( 42.798 24.709 45.500) 67.175 3.191 ( -10.333 -5.966 13.355) 17.909 3.504 ( -1.556 -0.898 -1.810) 2.550 3.728 ( 7.412 4.279 -2.532) 8.926 4.039 ( 13.345 7.705 8.013) 17.369 6.751 ( -20.696 -11.949 13.577) 27.485 7.796 ( -0.091 -0.053 -5.275) 5.276 7.894 ( 11.703 6.757 -5.471) 14.579 8.570 ( -3.522 -2.033 0.044) 4.067 9.156 ( 17.315 9.997 -19.325) 27.806 9.710 ( -11.947 -6.898 -0.362) 13.800 9.956 ( 14.104 8.143 -24.325) 29.274 10.905 ( 7.573 4.372 1.333) 8.845 11.206 ( -4.785 -2.763 -2.017) 5.882 11.531 ( -6.024 -3.478 -4.151) 8.100 11.565 ( -7.966 -4.599 3.423) 9.815 11.841 ( 2.202 1.271 -0.172) 2.548 11.888 ( 7.705 4.449 2.800) 9.327 12.056 ( 10.333 5.966 4.096) 12.615 12.638 ( 2.445 1.412 -2.215) 3.588 12.713 ( -15.424 -8.905 2.259) 17.953 13.551 ( -1.556 -0.899 -5.676) 5.954 13.612 ( 1.306 0.754 5.937) 6.125 13.663 ( -29.094 -16.797 32.706) 46.886 13.954 ( 17.295 9.985 2.952) 20.187 14.939 ( 1.848 1.067 1.867) 2.835 15.304 ( 15.860 9.157 -15.888) 24.245 15.796 ( -5.446 -3.144 -22.649) 23.506 15.913 ( 2.574 1.486 -20.068) 20.287 16.039 ( -1.584 -0.915 0.494) 1.895 16.070 ( -0.645 -0.372 2.585) 2.690 16.744 ( -0.873 -0.504 6.143) 6.225 16.802 ( -0.789 -0.455 -4.731) 4.818 16.848 ( 2.775 1.602 -5.285) 6.181 17.729 ( -7.417 -4.282 16.088) 18.226 17.740 ( -6.275 -3.623 18.936) 20.275 18.540 ( 7.044 4.067 -1.905) 8.354 18.581 ( 9.763 5.637 0.776) 11.300 21.436 ( -9.393 -5.423 -5.285) 12.066 21.915 ( 2.736 1.580 4.771) 5.722======================= Grid point 2 (3/116) =======================q-point: ( 0.20 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 282Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.866 ( 12.569 7.257 17.750) 22.928 1.398 ( 11.020 6.362 35.661) 37.864 2.580 ( 32.183 18.581 33.267) 49.877 3.235 ( -2.037 -1.176 9.907) 10.183 3.429 ( -3.049 -1.760 -3.470) 4.944 3.844 ( 7.253 4.187 1.400) 8.491 4.489 ( 22.230 12.835 13.614) 29.056 6.559 ( -19.604 -11.318 6.928) 23.673 7.686 ( -1.014 -0.586 -8.866) 8.943 8.047 ( 15.980 9.226 -5.192) 19.168 8.467 ( -8.482 -4.897 -1.576) 9.920 9.167 ( -0.791 -0.457 1.185) 1.497 9.511 ( -12.655 -7.307 2.008) 14.751 9.836 ( 7.005 4.045 -15.620) 17.590 10.984 ( 2.293 1.324 -3.285) 4.219 11.046 ( -9.972 -5.757 -3.424) 12.013 11.427 ( -1.578 -0.911 -1.496) 2.358 11.456 ( -11.084 -6.399 3.059) 13.159 11.891 ( 1.826 1.054 3.618) 4.187 12.089 ( 10.312 5.954 3.670) 12.460 12.291 ( 8.987 5.188 6.983) 12.508 12.510 ( -11.639 -6.720 2.338) 13.642 12.694 ( 4.031 2.327 3.838) 6.033 13.411 ( -3.130 -1.807 -8.494) 9.231 13.620 ( -13.255 -7.653 10.405) 18.507 13.797 ( 5.776 3.335 10.675) 12.588 14.297 ( 17.662 10.197 4.651) 20.918 14.975 ( 0.351 0.202 -1.035) 1.111 15.272 ( -8.714 -5.031 -24.883) 26.840 15.384 ( 8.426 4.865 -9.515) 13.608 15.556 ( 1.363 0.787 -33.972) 34.009 16.017 ( -1.745 -1.007 0.518) 2.080 16.102 ( -1.318 -0.761 3.834) 4.125 16.778 ( 0.440 0.254 1.839) 1.908 16.821 ( 4.360 2.517 -6.430) 8.166 16.830 ( -2.385 -1.377 9.053) 9.463 17.819 ( -9.043 -5.221 15.496) 18.686 17.900 ( -6.415 -3.704 18.024) 19.487 18.655 ( 9.118 5.264 -1.228) 10.600 18.816 ( 14.198 8.197 3.843) 16.839 21.185 ( -11.124 -6.423 -6.060) 14.203 22.003 ( 1.670 0.964 2.367) 3.053======================= Grid point 3 (4/116) =======================q-point: ( 0.30 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.295 ( 12.515 7.226 13.715) 19.923 2.041 ( 11.756 6.788 29.547) 32.516 3.088 ( 0.211 0.122 6.308) 6.313 3.313 ( -4.082 -2.357 -4.475) 6.500 3.624 ( 19.849 11.460 19.479) 30.079 3.984 ( 6.007 3.468 2.441) 7.354 5.099 ( 26.156 15.101 16.058) 34.206 6.329 ( -15.781 -9.111 2.091) 18.342 7.535 ( -1.964 -1.134 -8.540) 8.836 8.230 ( -14.779 -8.533 -5.767) 18.014 8.257 ( 14.464 8.351 -1.151) 16.741 9.153 ( -6.491 -3.748 5.618) 9.367 9.365 ( -9.202 -5.313 2.636) 10.948 9.802 ( 8.527 4.923 -6.370) 11.727 10.811 ( -11.529 -6.656 -4.516) 14.058 10.911 ( -2.564 -1.480 -4.606) 5.475 11.306 ( -11.035 -6.371 2.451) 12.976 11.411 ( 0.355 0.205 -0.567) 0.700 12.004 ( 3.682 2.126 5.334) 6.821 12.303 ( 10.351 5.976 2.540) 12.219 12.396 ( -5.022 -2.899 -0.227) 5.803 12.534 ( 5.233 3.021 10.450) 12.071 12.896 ( 4.006 2.313 15.846) 16.507 13.232 ( -3.136 -1.811 -8.877) 9.588 13.524 ( -7.379 -4.260 0.722) 8.551 14.062 ( 6.557 3.786 12.024) 14.209 14.630 ( 14.652 8.459 3.557) 17.288 14.701 ( -9.269 -5.351 -30.174) 32.016 14.830 ( -1.916 -1.106 -23.378) 23.482 15.140 ( -0.677 -0.391 -19.109) 19.125 15.493 ( 6.434 3.715 3.350) 8.150 15.998 ( -1.649 -0.952 0.660) 2.016 16.111 ( -2.878 -1.662 1.566) 3.674 16.814 ( 6.256 3.612 -6.623) 9.800 16.843 ( 1.245 0.719 4.342) 4.574 16.907 ( -4.541 -2.622 9.572) 10.914 17.868 ( -6.383 -3.685 10.052) 12.464 18.027 ( -3.899 -2.251 12.263) 13.063 18.780 ( 6.935 4.004 -0.242) 8.012 19.114 ( 13.462 7.772 5.509) 16.492 20.922 ( -10.802 -6.237 -5.493) 13.629 22.037 ( 0.146 0.085 0.629) 0.651======================= Grid point 4 (5/116) =======================q-point: ( 0.40 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 282Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.624 ( 8.283 4.782 8.053) 12.503 2.574 ( 10.252 5.919 20.302) 23.501 3.086 ( -3.472 -2.005 -0.678) 4.066 3.189 ( -3.478 -2.008 -3.659) 5.433 4.060 ( 6.334 3.657 4.616) 8.649 4.111 ( 7.407 4.276 5.728) 10.294 5.727 ( 22.783 13.154 13.646) 29.636 6.129 ( -9.088 -5.247 -0.594) 10.511 7.417 ( -0.935 -0.540 -3.674) 3.829 7.840 ( -17.840 -10.300 -9.870) 22.842 8.446 ( 7.780 4.492 0.661) 9.008 9.138 ( -2.765 -1.597 3.714) 4.898 9.285 ( -4.571 -2.639 1.760) 5.564 9.935 ( 9.427 5.443 3.477) 11.427 10.554 ( -11.173 -6.451 -5.702) 14.106 10.824 ( -1.723 -0.995 -2.089) 2.885 11.188 ( -6.638 -3.833 1.617) 7.834 11.407 ( -0.017 -0.010 -0.528) 0.528 12.134 ( 4.140 2.390 3.744) 6.072 12.320 ( -3.241 -1.871 -1.563) 4.055 12.483 ( 8.107 4.681 0.956) 9.410 12.709 ( -1.034 -0.597 8.108) 8.195 13.098 ( -1.384 -0.799 -4.230) 4.522 13.257 ( 3.499 2.020 26.892) 27.194 13.444 ( -0.577 -0.333 -0.497) 0.831 14.185 ( -7.895 -4.558 -22.386) 24.171 14.278 ( 0.509 0.294 -20.245) 20.253 14.357 ( 1.863 1.076 -6.556) 6.900 14.827 ( 7.144 4.125 -7.060) 10.858 15.014 ( -0.694 -0.401 1.724) 1.901 15.667 ( 5.665 3.270 6.872) 9.487 15.983 ( -1.090 -0.629 0.398) 1.319 16.041 ( -4.404 -2.543 -3.063) 5.937 16.840 ( 6.419 3.706 -4.919) 8.896 16.915 ( 0.666 0.384 3.157) 3.249 16.942 ( -5.321 -3.072 7.088) 9.380 17.896 ( -2.864 -1.653 4.751) 5.789 18.112 ( -1.555 -0.898 6.214) 6.468 18.864 ( 3.484 2.012 0.010) 4.024 19.374 ( 9.132 5.272 4.210) 11.354 20.700 ( -7.727 -4.461 -3.713) 9.665 22.035 ( -0.384 -0.222 -0.102) 0.455======================= Grid point 5 (6/116) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 141Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.754 ( 0.000 0.000 0.000) 0.000 2.877 ( -0.000 -0.000 -0.000) 0.000 2.984 ( 0.000 0.000 0.000) 0.000 3.129 ( 0.000 0.000 0.000) 0.000 4.107 ( 0.000 0.000 0.000) 0.000 4.242 ( 0.000 0.000 0.000) 0.000 6.046 ( 0.000 0.000 0.000) 0.000 6.057 ( 0.000 0.000 0.000) 0.000 7.429 ( -0.000 -0.000 -0.000) 0.000 7.527 ( 0.000 0.000 0.000) 0.000 8.512 ( 0.000 0.000 0.000) 0.000 9.149 ( 0.000 0.000 -0.000) 0.000 9.261 ( 0.000 0.000 0.000) 0.000 10.108 ( -0.000 -0.000 -0.000) 0.000 10.358 ( 0.000 0.000 0.000) 0.000 10.797 ( 0.000 0.000 0.000) 0.000 11.143 ( 0.000 0.000 0.000) 0.000 11.401 ( 0.000 0.000 0.000) 0.000 12.237 ( -0.000 -0.000 -0.000) 0.000 12.240 ( 0.000 0.000 0.000) 0.000 12.562 ( 0.000 0.000 0.000) 0.000 12.743 ( 0.000 0.000 0.000) 0.000 13.058 ( -0.000 -0.000 0.000) 0.000 13.479 ( 0.000 0.000 -0.000) 0.000 13.733 ( 0.000 0.000 0.000) 0.000 13.754 ( -0.000 -0.000 -0.000) 0.000 13.920 ( 0.000 0.000 0.000) 0.000 14.482 ( 0.000 0.000 0.000) 0.000 14.774 ( -0.000 -0.000 -0.000) 0.000 15.056 ( 0.000 0.000 0.000) 0.000 15.814 ( 0.000 0.000 0.000) 0.000 15.931 ( 0.000 0.000 0.000) 0.000 15.976 ( 0.000 0.000 0.000) 0.000 16.864 ( 0.000 0.000 0.000) 0.000 16.943 ( 0.000 0.000 0.000) 0.000 16.943 ( 0.000 0.000 0.000) 0.000 17.906 ( 0.000 0.000 0.000) 0.000 18.143 ( 0.000 0.000 0.000) 0.000 18.893 ( 0.000 0.000 0.000) 0.000 19.487 ( -0.000 -0.000 0.000) 0.000 20.603 ( 0.000 0.000 0.000) 0.000 22.030 ( 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: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.922 ( -0.000 13.871 24.919) 28.520 1.292 ( -0.000 22.394 32.275) 39.283 1.991 ( -0.000 15.221 54.691) 56.769 3.325 ( -0.000 -9.587 6.371) 11.511 3.577 ( -0.000 3.425 1.566) 3.766 3.614 ( 0.000 4.544 -2.999) 5.444 4.201 ( -0.000 14.963 14.930) 21.138 6.972 ( -0.000 -26.293 13.686) 29.641 7.525 ( 0.000 -7.166 -16.926) 18.380 7.875 ( -0.000 19.189 -3.388) 19.486 8.805 ( -0.000 6.023 10.510) 12.113 8.841 ( 0.000 16.185 -9.926) 18.986 9.661 ( 0.000 -13.219 -3.755) 13.742 9.768 ( 0.000 0.941 -8.634) 8.686 10.938 ( -0.000 6.863 0.926) 6.925 11.199 ( 0.000 -1.596 -1.727) 2.352 11.436 ( 0.000 -15.899 -1.747) 15.994 11.710 ( -0.000 6.199 1.984) 6.508 11.772 ( -0.000 -6.156 3.085) 6.886 11.911 ( -0.000 3.948 2.518) 4.682 12.190 ( -0.000 15.423 8.988) 17.850 12.614 ( 0.000 1.161 -2.382) 2.650 12.713 ( 0.000 -20.989 4.339) 21.433 13.556 ( 0.000 3.611 -1.264) 3.826 13.626 ( -0.000 -8.286 6.657) 10.629 13.948 ( -0.000 10.298 5.625) 11.734 13.959 ( 0.000 -8.342 0.947) 8.396 15.001 ( -0.000 3.098 5.274) 6.117 15.154 ( 0.000 17.293 -5.716) 18.213 15.430 ( 0.000 -4.386 -32.137) 32.434 15.507 ( 0.000 -0.145 -32.660) 32.661 16.046 ( -0.000 -2.292 0.663) 2.387 16.102 ( -0.000 1.330 1.446) 1.965 16.750 ( 0.000 1.010 -6.150) 6.232 16.776 ( -0.000 2.395 -0.536) 2.454 16.862 ( -0.000 -1.791 10.452) 10.605 17.988 ( -0.000 -10.685 18.765) 21.594 18.008 ( -0.000 -9.251 18.149) 20.371 18.519 ( -0.000 9.882 -1.679) 10.023 18.583 ( -0.000 13.104 1.496) 13.189 21.343 ( 0.000 -7.984 -8.047) 11.336 22.005 ( -0.000 -0.380 6.841) 6.852======================= Grid point 13 (8/116) =======================q-point: ( 0.20 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.293 ( -7.710 16.784 22.221) 28.896 1.876 ( 2.189 14.475 31.181) 34.447 2.847 ( 15.667 10.168 31.095) 36.273 3.365 ( 0.980 -2.052 9.161) 9.439 3.484 ( -10.037 2.781 -0.201) 10.417 3.763 ( 11.340 3.576 0.716) 11.912 4.633 ( 10.595 19.735 18.870) 29.288 6.777 ( -19.962 -16.967 2.536) 26.321 7.350 ( 16.146 -13.635 -14.653) 25.716 8.038 ( 2.282 18.058 4.870) 18.842 8.646 ( -17.806 4.508 -0.755) 18.383 9.140 ( 10.767 2.243 6.946) 13.008 9.495 ( -0.753 -13.195 -4.312) 13.902 9.638 ( 1.257 -0.111 -9.311) 9.396 10.929 ( -0.350 -2.872 -5.561) 6.269 11.099 ( -9.562 -4.161 -1.489) 10.534 11.330 ( 2.239 -10.783 -0.556) 11.027 11.682 ( -13.608 5.294 2.842) 14.875 11.832 ( 6.886 -4.987 4.013) 9.402 12.058 ( 10.634 4.648 1.839) 11.750 12.455 ( 1.126 15.010 12.057) 19.286 12.464 ( -0.415 -14.552 -4.964) 15.381 12.815 ( 2.289 -2.714 16.863) 17.233 13.412 ( -13.733 4.995 -4.648) 15.334 13.714 ( -1.142 -13.403 2.905) 13.762 13.916 ( 3.735 7.399 4.126) 9.259 14.216 ( 14.531 10.674 3.760) 18.418 14.881 ( -4.923 -3.509 -34.789) 35.310 14.914 ( -3.507 1.436 -29.274) 29.518 15.138 ( 0.748 1.446 -4.898) 5.162 15.313 ( 6.619 8.891 0.849) 11.116 16.025 ( -0.701 -3.597 0.079) 3.666 16.130 ( 0.615 -0.311 0.657) 0.952 16.683 ( 2.876 0.398 -6.519) 7.136 16.821 ( 0.739 5.943 1.542) 6.184 16.993 ( -1.962 -2.965 11.868) 12.389 18.065 ( -7.199 -10.453 11.105) 16.865 18.113 ( -2.519 -8.363 9.677) 13.036 18.633 ( 4.060 10.483 2.666) 11.554 18.804 ( 9.466 12.173 6.369) 16.684 21.139 ( -5.367 -8.193 -7.425) 12.291 22.074 ( -2.081 -2.058 6.096) 6.762======================= Grid point 14 (9/116) =======================q-point: ( 0.30 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.609 ( -6.268 17.103 17.925) 25.556 2.400 ( 3.772 9.115 26.162) 27.960 3.142 ( 0.392 -1.726 1.596) 2.383 3.364 ( -10.105 3.567 -1.109) 10.773 3.739 ( 14.051 5.115 18.409) 23.717 3.931 ( 9.579 2.811 1.294) 10.067 5.221 ( 16.283 21.684 19.553) 33.431 6.424 ( -15.083 -9.520 -7.057) 19.182 7.269 ( 13.037 -12.903 -9.212) 20.526 8.194 ( -6.521 -6.879 2.930) 9.921 8.485 ( -13.755 16.869 4.456) 22.218 9.203 ( -1.974 -7.071 -1.333) 7.461 9.369 ( -1.725 -7.890 -2.436) 8.436 9.667 ( 12.347 4.868 0.775) 13.295 10.753 ( -1.285 -16.694 -6.658) 18.019 10.916 ( -10.941 -2.233 -2.204) 11.382 11.278 ( 0.551 -8.001 -1.335) 8.131 11.584 ( -13.145 8.116 1.212) 15.496 11.957 ( 8.647 -3.888 4.078) 10.321 12.221 ( 10.642 -3.321 -1.176) 11.210 12.358 ( 2.524 -3.296 -0.491) 4.180 12.742 ( -0.507 11.897 13.513) 18.011 13.098 ( 0.979 0.507 10.318) 10.377 13.270 ( -8.036 6.547 9.891) 14.327 13.570 ( -6.435 -7.511 -1.612) 10.021 14.148 ( 9.249 5.908 4.694) 11.937 14.342 ( -3.954 -3.855 -29.798) 30.305 14.386 ( -1.938 -0.687 -33.209) 33.273 14.512 ( 13.905 8.303 0.556) 16.205 15.116 ( -6.365 4.107 1.383) 7.700 15.502 ( 7.858 5.493 5.007) 10.816 15.984 ( 0.547 -6.453 -0.577) 6.501 16.105 ( -1.186 -2.950 -2.592) 4.102 16.653 ( 6.140 1.160 -6.204) 8.806 16.896 ( 1.036 5.292 0.859) 5.461 17.090 ( -4.920 -1.955 10.524) 11.781 18.025 ( -6.581 -5.908 4.605) 9.971 18.136 ( -0.470 -4.782 3.421) 5.899 18.790 ( 2.295 7.159 4.427) 8.724 19.101 ( 11.240 7.969 6.753) 15.344 20.910 ( -7.600 -7.590 -5.595) 12.111 22.097 ( -3.785 -3.299 5.332) 7.324======================= Grid point 15 (10/116) =======================q-point: ( 0.40 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.854 ( -7.585 14.769 12.117) 20.555 2.792 ( 2.675 5.762 15.409) 16.667 3.085 ( -3.477 -3.635 -2.424) 5.584 3.259 ( -9.882 4.572 0.009) 10.889 4.045 ( 5.332 0.846 1.242) 5.540 4.095 ( 10.434 0.302 6.050) 12.065 5.820 ( 14.572 19.284 15.621) 28.779 6.122 ( -6.203 -4.037 -9.486) 12.032 7.248 ( 11.359 -9.698 -2.841) 15.203 7.859 ( -19.626 -12.253 -7.978) 24.473 8.628 ( -8.736 13.102 10.793) 19.091 9.119 ( 2.400 -4.855 -2.776) 6.086 9.260 ( -0.106 -4.823 -4.830) 6.827 9.921 ( 11.297 5.043 7.237) 14.333 10.502 ( -3.564 -19.295 -6.485) 20.665 10.767 ( -4.426 -4.949 -1.385) 6.782 11.194 ( -1.255 -4.714 -2.788) 5.619 11.520 ( -8.689 9.943 -0.749) 13.226 12.086 ( 7.795 -3.240 3.271) 9.053 12.206 ( 6.080 -11.282 -4.096) 13.455 12.464 ( 5.523 4.350 2.708) 7.534 12.881 ( -9.138 9.165 1.977) 13.092 13.084 ( -1.572 3.652 -1.583) 4.280 13.484 ( -1.686 1.847 3.696) 4.463 13.679 ( 1.950 1.658 34.603) 34.698 13.816 ( -2.616 -1.432 -33.764) 33.896 13.981 ( -3.012 -3.671 -11.929) 12.839 14.387 ( 8.143 4.083 1.109) 9.177 14.702 ( 6.328 6.287 1.103) 8.988 15.089 ( -4.753 3.466 1.349) 6.035 15.705 ( 7.337 4.103 5.446) 10.016 15.928 ( 2.221 -8.186 -3.728) 9.265 15.998 ( -2.769 -4.023 -3.696) 6.125 16.674 ( 8.265 0.748 -4.870) 9.622 16.921 ( 1.519 0.281 -2.561) 2.991 17.135 ( -8.365 1.878 7.503) 11.393 17.964 ( -4.114 -2.367 0.325) 4.757 18.127 ( 1.125 -2.482 -2.012) 3.387 18.900 ( -0.629 4.387 4.028) 5.989 19.350 ( 9.317 4.158 3.913) 10.927 20.710 ( -6.852 -5.886 -2.745) 9.441 22.093 ( -4.544 -3.563 5.276) 7.822======================= Grid point 16 (11/116) =======================q-point: (-0.50 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.934 ( -14.737 11.283 5.028) 19.230 2.823 ( -7.230 -3.297 -10.932) 13.515 3.059 ( -2.653 1.037 6.835) 7.405 3.211 ( -5.820 5.635 2.702) 8.540 4.082 ( 1.903 -1.241 -1.110) 2.529 4.196 ( 2.614 -4.875 -1.416) 5.710 5.968 ( 4.158 0.532 -7.980) 9.014 6.142 ( -6.658 6.908 2.694) 9.965 7.321 ( 8.260 -9.672 1.179) 12.774 7.553 ( -1.992 0.909 1.019) 2.415 8.701 ( -10.569 6.979 7.776) 14.862 9.085 ( 1.133 -2.680 -4.131) 5.052 9.170 ( 4.461 -3.119 -7.646) 9.386 10.100 ( -0.916 -4.251 -1.799) 4.706 10.321 ( 6.622 -7.043 3.009) 10.125 10.712 ( 2.813 -7.414 1.352) 8.044 11.124 ( 0.388 0.917 -4.123) 4.242 11.486 ( -5.321 9.282 -1.525) 10.807 12.120 ( 4.809 -11.293 -5.492) 13.447 12.193 ( 5.953 -3.196 1.981) 7.041 12.566 ( 1.916 -0.169 2.550) 3.194 12.817 ( -9.864 12.631 -4.223) 16.574 13.037 ( 1.203 -0.838 -3.568) 3.857 13.353 ( -4.206 -1.946 -23.978) 24.421 13.540 ( -4.976 2.879 2.225) 6.164 14.001 ( 6.583 1.078 15.385) 16.769 14.239 ( 2.091 2.201 37.845) 37.967 14.402 ( 1.162 1.498 -9.189) 9.382 14.848 ( 1.536 4.091 8.729) 9.761 15.069 ( -3.078 1.746 -1.281) 3.763 15.776 ( -2.475 -5.070 -7.982) 9.774 15.874 ( 7.898 0.797 0.891) 7.988 15.949 ( 1.536 -3.102 0.805) 3.554 16.717 ( 8.180 -0.842 -3.646) 8.996 16.876 ( 2.962 -2.244 -6.351) 7.359 17.116 ( -10.672 3.810 3.784) 11.947 17.898 ( -2.297 -0.483 -2.997) 3.807 18.064 ( 2.033 -1.317 -7.936) 8.298 18.948 ( -3.281 2.015 3.147) 4.973 19.463 ( 2.430 -0.571 -0.892) 2.651 20.615 ( -1.260 -2.087 1.362) 2.793 22.090 ( -4.522 -2.908 5.630) 7.785======================= Grid point 17 (12/116) =======================q-point: (-0.40 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.794 ( -23.927 9.139 -0.762) 25.624 2.418 ( -17.057 -6.129 -19.035) 26.283 3.084 ( -1.801 1.834 -0.787) 2.689 3.274 ( -1.322 5.692 5.784) 8.222 4.024 ( -9.911 -9.719 -8.273) 16.160 4.054 ( -0.388 -4.046 -3.844) 5.595 5.810 ( -27.990 -6.580 -10.425) 30.584 6.004 ( 9.820 4.184 -5.263) 11.901 7.384 ( 7.776 -4.529 5.277) 10.432 7.826 ( 16.014 6.213 10.622) 20.196 8.698 ( -16.680 6.046 8.081) 19.496 8.982 ( 4.635 -2.344 -10.445) 11.665 9.118 ( 9.907 -1.099 -10.072) 14.170 9.954 ( -3.481 -9.014 0.178) 9.665 10.534 ( 11.662 1.671 6.967) 13.687 10.774 ( 6.865 -4.517 5.287) 9.772 11.109 ( 4.104 4.981 -4.777) 8.030 11.475 ( -3.123 7.829 -1.622) 8.584 11.989 ( 3.188 -11.143 -8.607) 14.436 12.254 ( 5.834 -4.409 -0.102) 7.314 12.553 ( -6.438 -5.589 1.816) 8.717 12.699 ( -9.898 13.565 -8.294) 18.729 12.994 ( -0.682 -3.920 -9.410) 10.216 13.085 ( 3.205 2.068 -5.213) 6.459 13.540 ( -5.521 0.392 6.983) 8.910 14.195 ( -2.641 -2.092 -10.724) 11.241 14.470 ( 8.446 6.452 25.022) 27.186 14.750 ( 1.048 5.676 21.671) 22.426 14.925 ( -5.741 -6.224 1.047) 8.532 15.119 ( 0.404 3.335 19.360) 19.649 15.604 ( -2.148 -3.931 -7.010) 8.319 15.935 ( 3.686 -2.883 0.887) 4.763 15.998 ( 4.989 3.154 -2.256) 6.319 16.751 ( 6.241 -1.978 -3.251) 7.310 16.798 ( 4.607 -1.511 -9.314) 10.500 17.048 ( -10.342 3.131 2.057) 10.999 17.811 ( -1.262 0.247 -6.422) 6.550 17.937 ( 3.122 -0.647 -13.700) 14.066 18.938 ( -5.671 -0.158 2.364) 6.146 19.375 ( -6.490 -4.645 -4.598) 9.210 20.693 ( 6.528 1.986 4.451) 8.147 22.097 ( -4.566 -1.941 5.555) 7.448======================= Grid point 18 (13/116) =======================q-point: (-0.30 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.482 ( -29.334 8.168 -5.773) 30.992 1.848 ( -24.934 -2.734 -19.143) 31.554 3.021 ( -4.405 0.109 -5.836) 7.313 3.380 ( -0.745 2.181 3.721) 4.377 3.536 ( -22.047 -12.917 -15.934) 30.113 3.959 ( -2.604 -4.594 -3.876) 6.550 5.201 ( -34.217 -7.991 -11.011) 36.822 6.133 ( 15.768 4.864 -4.649) 17.143 7.561 ( 7.399 -2.579 8.579) 11.619 8.166 ( 10.467 0.309 8.307) 13.366 8.598 ( -20.010 8.114 5.754) 22.346 8.947 ( 12.290 -0.166 -8.542) 14.968 9.132 ( 16.553 0.238 -10.031) 19.357 9.945 ( -0.480 -5.869 9.423) 11.111 10.786 ( 11.443 2.676 6.802) 13.579 10.954 ( 6.043 1.517 9.422) 11.295 11.160 ( 8.422 4.508 -4.034) 10.370 11.473 ( -1.610 7.966 -2.308) 8.449 11.814 ( 4.055 -11.710 -10.439) 16.203 12.271 ( 6.977 -4.476 -3.648) 9.056 12.405 ( -12.909 -2.488 -0.338) 13.151 12.541 ( -10.605 6.560 -6.465) 14.046 12.839 ( -6.878 -2.237 -0.433) 7.245 13.138 ( 13.149 -1.672 -7.011) 14.995 13.587 ( -4.872 0.090 7.709) 9.120 13.961 ( -6.506 -1.451 -10.985) 12.849 14.682 ( -12.441 -0.342 -6.338) 13.967 14.978 ( 1.893 -0.000 6.584) 6.851 15.025 ( 8.928 6.412 24.499) 26.852 15.499 ( -0.764 -3.381 -0.030) 3.466 15.565 ( 0.357 -0.979 35.431) 35.447 15.976 ( 1.289 0.617 1.368) 1.979 16.022 ( 4.690 2.947 -5.417) 7.748 16.711 ( 5.704 -2.622 -8.558) 10.614 16.751 ( 3.956 -0.044 -5.300) 6.614 16.984 ( -7.966 1.495 2.873) 8.599 17.692 ( 0.494 0.914 -10.401) 10.453 17.760 ( 4.557 -0.058 -17.776) 18.351 18.877 ( -8.091 -1.722 1.972) 8.504 19.150 ( -11.855 -5.565 -5.061) 14.040 20.894 ( 11.279 3.638 4.979) 12.855 22.096 ( -5.481 -1.225 4.466) 7.176======================= Grid point 19 (14/116) =======================q-point: (-0.20 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.015 ( -25.193 1.656 -18.178) 31.111 1.340 ( -37.978 10.899 0.009) 39.511 2.489 ( -41.654 -18.829 -23.091) 51.213 3.105 ( -1.502 -1.177 -7.148) 7.398 3.493 ( -0.635 3.955 3.843) 5.551 3.836 ( -3.225 -4.561 -3.056) 6.367 4.617 ( -31.893 -5.394 -6.825) 33.058 6.310 ( 17.194 3.925 -3.762) 18.033 7.726 ( 4.422 -1.536 5.923) 7.550 8.229 ( -9.638 -6.125 3.953) 12.084 8.584 ( -6.586 12.041 3.910) 14.271 9.031 ( 15.778 -1.729 -2.552) 16.076 9.261 ( 21.891 1.253 -5.678) 22.650 10.109 ( 2.199 -2.354 16.017) 16.337 11.034 ( 9.235 3.795 6.617) 11.978 11.112 ( -5.152 4.206 5.918) 8.903 11.252 ( 10.260 -2.259 -1.503) 10.613 11.497 ( 1.966 10.047 -3.203) 10.726 11.686 ( 9.895 -11.428 -6.243) 16.355 12.224 ( -14.341 1.840 0.034) 14.459 12.302 ( 11.354 -1.301 -3.359) 11.912 12.361 ( -12.431 1.063 -2.830) 12.794 12.767 ( -7.037 -0.953 2.850) 7.652 13.125 ( 14.810 -6.579 -16.254) 22.953 13.624 ( -4.281 -1.941 6.456) 7.986 13.741 ( -6.877 1.422 -7.929) 10.592 14.428 ( -17.797 1.526 -3.456) 18.194 14.997 ( -1.891 -1.245 0.165) 2.270 15.374 ( 5.371 -0.250 3.517) 6.425 15.664 ( 5.430 2.395 21.889) 22.679 15.966 ( -1.561 -1.751 20.303) 20.438 15.989 ( 2.383 0.436 -2.467) 3.457 16.038 ( 1.185 3.390 -0.627) 3.645 16.687 ( 5.151 -2.160 -2.782) 6.240 16.730 ( 4.012 -0.716 -1.348) 4.293 16.949 ( -4.769 1.361 1.208) 5.104 17.558 ( 3.959 1.177 -12.858) 13.505 17.580 ( 5.066 0.701 -15.336) 16.166 18.776 ( -10.185 -1.988 1.754) 10.524 18.896 ( -13.829 -3.758 -3.332) 14.713 21.134 ( 13.451 3.048 3.669) 14.272 22.061 ( -7.298 -0.754 2.440) 7.732======================= Grid point 20 (15/116) =======================q-point: (-0.10 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.523 ( -24.940 -0.000 0.000) 24.940 0.995 ( -39.847 -0.000 0.000) 39.847 1.507 ( -58.852 -0.000 0.000) 58.852 3.043 ( -0.326 -0.000 0.000) 0.326 3.532 ( -0.459 -0.000 0.000) 0.459 3.761 ( -2.164 -0.000 0.000) 2.164 4.195 ( -24.933 -0.000 0.000) 24.933 6.492 ( 14.874 0.000 -0.000) 14.874 7.802 ( 2.472 0.000 -0.000) 2.472 8.066 ( -15.048 -0.000 0.000) 15.048 8.609 ( -1.887 -0.000 0.000) 1.887 9.217 ( 14.799 0.000 -0.000) 14.799 9.507 ( 21.869 0.000 -0.000) 21.869 10.328 ( 6.194 0.000 -0.000) 6.194 11.031 ( -13.522 -0.000 0.000) 13.522 11.188 ( 4.133 0.000 -0.000) 4.133 11.367 ( 14.277 0.000 -0.000) 14.277 11.605 ( 7.737 0.000 -0.000) 7.737 11.683 ( 5.456 0.000 -0.000) 5.456 12.071 ( -14.002 -0.000 0.000) 14.002 12.180 ( -14.056 -0.000 0.000) 14.056 12.484 ( 19.918 0.000 -0.000) 19.918 12.710 ( -5.465 -0.000 0.000) 5.465 13.041 ( 8.454 0.000 -0.000) 8.454 13.604 ( -4.937 -0.000 0.000) 4.937 13.637 ( -2.321 -0.000 0.000) 2.321 14.168 ( -21.833 -0.000 0.000) 21.833 14.954 ( -3.136 -0.000 0.000) 3.136 15.452 ( 4.339 0.000 -0.000) 4.339 15.969 ( 4.230 0.000 -0.000) 4.230 15.971 ( 3.797 0.000 -0.000) 3.797 16.054 ( -0.418 -0.000 0.000) 0.418 16.070 ( -1.104 -0.000 0.000) 1.104 16.687 ( 1.607 0.000 -0.000) 1.607 16.810 ( 4.255 0.000 -0.000) 4.255 16.915 ( -2.941 -0.000 0.000) 2.941 17.521 ( 7.530 0.000 -0.000) 7.530 17.524 ( 5.538 0.000 -0.000) 5.538 18.654 ( -10.537 -0.000 0.000) 10.537 18.691 ( -13.000 -0.000 0.000) 13.000 21.343 ( 13.605 0.000 -0.000) 13.605 21.974 ( -8.850 -0.000 0.000) 8.850======================= Grid point 23 (16/116) =======================q-point: ( 0.20 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 282Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.744 ( -0.000 14.645 19.309) 24.235 2.364 ( -0.000 16.682 24.429) 29.582 3.092 ( -0.000 0.848 7.901) 7.946 3.538 ( -0.000 4.662 15.767) 16.441 3.622 ( -0.000 0.535 3.376) 3.418 3.698 ( -0.000 5.353 2.412) 5.872 5.010 ( -0.000 24.186 21.379) 32.280 6.796 ( 0.000 -11.047 -24.299) 26.692 6.910 ( -0.000 -17.086 5.415) 17.923 8.253 ( -0.000 5.959 10.838) 12.368 8.791 ( -0.000 7.559 -0.313) 7.565 9.206 ( -0.000 -1.214 2.468) 2.751 9.344 ( -0.000 -5.634 2.195) 6.046 9.482 ( 0.000 -4.428 -9.393) 10.384 10.756 ( 0.000 -17.574 -8.435) 19.493 11.139 ( 0.000 -2.584 -0.630) 2.660 11.226 ( 0.000 -5.872 -2.531) 6.394 11.823 ( -0.000 -2.841 5.146) 5.878 11.921 ( -0.000 8.952 5.721) 10.624 11.921 ( 0.000 -7.381 -5.548) 9.234 12.311 ( 0.000 -9.502 -1.288) 9.589 12.743 ( -0.000 15.652 13.834) 20.890 13.077 ( -0.000 0.093 22.451) 22.451 13.535 ( 0.000 6.587 -3.273) 7.355 13.630 ( 0.000 -13.416 1.170) 13.467 13.902 ( 0.000 11.874 -3.406) 12.353 14.325 ( -0.000 9.273 10.615) 14.095 14.388 ( 0.000 -2.398 -37.141) 37.218 14.424 ( 0.000 -1.971 -31.597) 31.658 15.279 ( -0.000 5.372 8.613) 10.151 15.320 ( -0.000 9.167 -1.613) 9.307 15.976 ( 0.000 -7.985 -1.624) 8.148 16.114 ( 0.000 -3.133 -0.877) 3.253 16.575 ( 0.000 0.334 -6.418) 6.427 16.881 ( -0.000 6.341 0.320) 6.349 17.154 ( -0.000 -1.531 11.618) 11.718 18.132 ( 0.000 -7.267 0.660) 7.297 18.138 ( -0.000 -8.815 4.218) 9.773 18.764 ( -0.000 9.523 7.546) 12.150 18.935 ( -0.000 10.197 8.023) 12.976 21.010 ( 0.000 -8.245 -6.855) 10.722 22.157 ( -0.000 -5.121 7.161) 8.803======================= Grid point 24 (17/116) =======================q-point: ( 0.30 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.052 ( -6.233 15.669 15.809) 23.114 2.774 ( -0.444 11.276 19.567) 22.588 3.108 ( 1.007 -1.242 -3.175) 3.555 3.530 ( -10.670 5.589 -0.103) 12.046 3.851 ( 9.091 3.118 2.437) 9.915 3.867 ( 5.935 0.102 13.987) 15.195 5.531 ( 7.004 25.832 20.453) 33.685 6.321 ( -8.044 -9.622 -19.821) 23.455 6.952 ( 10.276 -10.590 0.939) 14.786 8.254 ( -9.373 -13.053 -0.704) 16.085 8.896 ( -11.154 16.265 11.535) 22.848 9.053 ( 2.399 -9.411 -7.040) 11.995 9.282 ( -2.359 -6.032 -8.206) 10.454 9.606 ( 12.981 6.187 8.003) 16.457 10.487 ( 1.324 -27.970 -7.281) 28.933 11.019 ( -10.890 -2.082 -1.524) 11.192 11.184 ( 2.470 -3.128 -4.025) 5.665 11.700 ( -3.853 -6.863 -7.729) 11.031 11.916 ( 4.717 -2.079 5.455) 7.505 12.077 ( 1.666 2.210 2.186) 3.527 12.319 ( 5.438 -0.328 2.561) 6.019 13.021 ( -0.959 9.878 11.157) 14.932 13.218 ( -8.333 7.956 -4.267) 12.286 13.540 ( -1.533 -5.809 2.722) 6.596 13.677 ( -2.369 2.407 27.256) 27.465 13.851 ( 0.691 0.782 -28.199) 28.218 14.009 ( 0.337 -1.983 -20.997) 21.093 14.104 ( 11.010 6.393 -3.731) 13.267 14.576 ( 2.652 10.029 10.807) 14.981 15.266 ( -8.158 7.048 -1.202) 10.848 15.505 ( 8.205 6.441 4.049) 11.189 15.881 ( 1.144 -12.456 -2.210) 12.702 16.049 ( -1.042 -6.563 -2.628) 7.146 16.522 ( 3.497 0.731 -4.679) 5.887 16.887 ( 0.920 0.126 -4.137) 4.240 17.290 ( -3.613 3.680 9.666) 10.956 18.047 ( -1.274 -4.593 -4.480) 6.541 18.117 ( -0.919 -3.449 -0.221) 3.576 18.925 ( -1.344 6.608 7.701) 10.237 19.133 ( 6.543 5.351 5.950) 10.337 20.849 ( -3.373 -7.485 -4.850) 9.536 22.200 ( -3.002 -6.518 7.868) 10.649======================= Grid point 25 (18/116) =======================q-point: ( 0.40 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 504Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.256 ( -10.395 15.829 11.701) 22.261 2.924 ( -3.568 1.323 -4.692) 6.041 3.145 ( -1.233 2.409 10.910) 11.240 3.442 ( -10.978 6.301 0.778) 12.682 3.989 ( 6.364 1.045 0.753) 6.493 4.051 ( 5.751 -3.908 4.311) 8.181 5.897 ( 2.756 -1.599 -13.865) 14.226 6.118 ( 2.912 19.438 13.628) 23.917 7.050 ( 10.490 -6.424 4.329) 13.040 7.912 ( -19.023 -11.474 -7.013) 23.297 8.825 ( 1.190 -4.475 -7.869) 9.131 9.091 ( 1.561 -6.941 -11.872) 13.841 9.160 ( -8.132 8.439 14.504) 18.647 9.908 ( 12.821 5.939 4.863) 14.943 10.215 ( 3.755 -31.128 -4.903) 31.735 10.850 ( -11.240 -1.048 -0.595) 11.304 11.112 ( 0.345 -2.117 -5.549) 5.949 11.543 ( 2.846 -4.386 -8.332) 9.837 12.021 ( 3.073 -4.252 3.446) 6.277 12.084 ( -0.689 1.624 -0.423) 1.814 12.456 ( 6.778 1.856 3.130) 7.693 13.059 ( -2.572 -2.418 -6.852) 7.707 13.091 ( -10.690 12.015 -1.619) 16.163 13.460 ( -4.398 -0.642 -20.142) 20.626 13.619 ( -1.891 6.957 4.440) 8.467 13.856 ( 5.946 -3.156 4.149) 7.907 14.179 ( 3.978 3.274 27.391) 27.871 14.259 ( 7.772 4.621 4.873) 10.271 14.812 ( 1.322 8.696 9.785) 13.158 15.188 ( -6.506 5.774 -2.818) 9.144 15.660 ( 7.131 0.722 -2.515) 7.596 15.788 ( 2.354 -8.224 -0.933) 8.605 15.953 ( -1.364 -6.625 -0.722) 6.802 16.536 ( 5.982 -0.746 -2.028) 6.360 16.800 ( 2.704 -4.713 -8.473) 10.066 17.362 ( -8.537 6.174 5.398) 11.838 17.931 ( 0.931 -2.336 -7.908) 8.298 18.053 ( -1.832 -0.705 -4.692) 5.086 19.026 ( -3.217 3.979 5.301) 7.368 19.313 ( 7.900 1.878 2.837) 8.602 20.703 ( -4.148 -6.038 -1.966) 7.585 22.219 ( -5.038 -6.086 8.597) 11.676======================= Grid point 26 (19/116) =======================q-point: (-0.50 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.322 ( -17.754 14.502 6.026) 23.703 2.723 ( -6.816 -3.191 -12.097) 14.247 3.238 ( -9.289 1.716 6.737) 11.603 3.389 ( -7.904 6.517 3.316) 10.768 4.021 ( 1.992 -2.858 -1.898) 3.968 4.097 ( 3.078 -5.451 -1.330) 6.399 5.736 ( 8.910 -2.231 -12.305) 15.355 6.387 ( -12.501 12.344 5.734) 18.481 7.220 ( 7.329 -5.977 7.375) 11.993 7.615 ( -4.806 1.291 0.896) 5.057 8.740 ( 6.634 -2.251 -8.515) 11.026 8.896 ( 6.480 -7.574 -15.581) 18.497 9.231 ( -15.988 5.160 9.164) 19.137 9.930 ( 5.513 -21.466 -5.113) 22.745 10.232 ( 12.901 -0.332 5.816) 14.155 10.751 ( -5.927 -1.532 4.021) 7.324 11.031 ( 2.542 1.534 -7.562) 8.124 11.467 ( 5.494 -3.095 -6.745) 9.234 11.973 ( -4.185 -0.627 -4.184) 5.951 12.125 ( 4.532 -3.257 0.733) 5.629 12.568 ( 4.062 -1.908 3.426) 5.646 12.935 ( -0.052 -4.422 -4.182) 6.087 12.994 ( -12.404 15.991 -6.999) 21.414 13.190 ( -6.388 -0.964 -7.343) 9.780 13.644 ( -1.506 -0.511 3.553) 3.892 14.119 ( 6.862 2.169 5.321) 8.951 14.321 ( 5.698 5.405 7.586) 10.919 14.719 ( 1.555 4.317 26.445) 26.840 15.002 ( -1.608 -0.098 10.433) 10.557 15.151 ( -2.915 7.117 5.879) 9.681 15.574 ( 3.301 -9.170 -8.747) 13.095 15.837 ( 4.438 2.572 0.070) 5.130 15.931 ( 0.270 -2.109 2.591) 3.352 16.588 ( 6.448 -2.733 -0.222) 7.007 16.672 ( 4.899 -4.813 -11.141) 13.088 17.311 ( -10.778 4.916 -0.576) 11.861 17.815 ( 2.747 -1.002 -11.093) 11.472 17.934 ( -3.330 -0.034 -7.097) 7.840 19.053 ( -3.919 1.116 2.633) 4.852 19.404 ( 3.306 -0.551 -1.117) 3.533 20.631 ( -0.766 -3.411 1.463) 3.790 22.235 ( -6.073 -4.344 8.777) 11.523======================= Grid point 27 (20/116) =======================q-point: (-0.40 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 504Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.139 ( -24.305 5.445 -7.550) 26.026 2.435 ( -17.838 2.819 -4.443) 18.598 3.161 ( -10.368 2.662 0.342) 10.709 3.434 ( -4.009 5.182 5.853) 8.786 3.923 ( -5.195 -9.804 -7.918) 13.631 4.008 ( -3.596 -4.084 -2.385) 5.941 5.734 ( 12.573 -0.533 -7.721) 14.764 6.103 ( -32.852 -0.229 -5.151) 33.254 7.377 ( 6.481 -0.528 9.760) 11.727 7.847 ( 12.844 6.468 11.385) 18.342 8.680 ( 9.254 -3.659 -12.584) 16.043 8.733 ( 12.578 -5.227 -16.445) 21.353 9.138 ( -19.916 6.199 5.987) 21.700 9.852 ( 7.964 -15.631 1.580) 17.614 10.477 ( 13.750 0.800 5.336) 14.770 10.817 ( 2.153 -0.343 9.888) 10.126 10.999 ( 5.866 6.152 -8.021) 11.687 11.430 ( 5.964 -2.610 -6.092) 8.916 11.819 ( -4.981 -1.054 -8.655) 10.041 12.148 ( 3.349 -5.517 0.152) 6.455 12.613 ( -2.865 -7.491 5.857) 9.931 12.824 ( -11.802 14.074 -9.766) 20.802 12.879 ( 2.662 -2.500 -3.229) 4.875 13.065 ( -7.462 0.782 -0.372) 7.512 13.695 ( -2.521 -2.685 7.843) 8.664 14.063 ( -1.062 0.716 -10.468) 10.547 14.717 ( 8.395 4.963 18.269) 20.709 14.948 ( -0.219 -4.947 3.169) 5.879 14.979 ( -4.248 10.712 2.621) 11.818 15.449 ( 3.381 -6.465 -4.801) 8.734 15.541 ( 1.490 0.145 35.822) 35.853 15.899 ( 5.158 3.532 -3.585) 7.206 15.978 ( -1.390 2.201 5.041) 5.674 16.542 ( 7.004 -4.381 -12.161) 14.702 16.639 ( 5.063 -2.131 -1.484) 5.690 17.182 ( -7.787 2.885 -4.824) 9.603 17.658 ( 2.449 -0.362 -15.041) 15.244 17.787 ( -5.404 -0.464 -6.122) 8.180 19.027 ( -4.148 -1.167 1.070) 4.440 19.351 ( -4.305 -2.162 -3.682) 6.063 20.683 ( 5.448 -0.370 3.459) 6.464 22.250 ( -6.673 -2.320 7.593) 10.372======================= Grid point 28 (21/116) =======================q-point: (-0.30 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.666 ( -27.325 -1.325 -12.705) 30.164 2.200 ( -28.970 9.636 3.608) 30.743 3.071 ( -8.841 3.984 0.252) 9.701 3.419 ( -16.292 -10.410 -6.045) 20.257 3.580 ( -10.479 -0.314 -2.259) 10.724 3.907 ( -2.990 -3.555 -2.984) 5.521 5.491 ( -35.954 -2.850 -5.464) 36.479 5.909 ( 13.489 1.114 -3.051) 13.875 7.600 ( 5.437 1.126 8.783) 10.391 8.189 ( 9.627 2.647 10.502) 14.490 8.609 ( 13.425 -2.680 -10.919) 17.511 8.694 ( 19.191 -2.697 -12.069) 22.831 9.022 ( -18.124 5.330 3.968) 19.303 9.940 ( 10.852 -6.933 5.226) 13.897 10.732 ( 14.704 -0.613 6.357) 16.031 11.003 ( 9.573 4.160 -3.239) 10.929 11.089 ( 5.854 5.895 10.201) 13.156 11.409 ( 7.171 -0.225 -6.429) 9.634 11.609 ( -5.349 -4.018 -9.429) 11.561 12.139 ( 2.305 -4.318 -0.866) 4.971 12.554 ( -10.607 -8.598 6.649) 15.187 12.649 ( -11.285 12.243 -8.475) 18.683 12.856 ( 5.041 -3.753 -4.764) 7.886 12.981 ( -7.853 -0.204 1.100) 7.932 13.735 ( -4.208 -3.328 6.342) 8.307 13.899 ( -4.866 1.176 -7.759) 9.233 14.753 ( -8.726 2.213 -3.589) 9.691 15.001 ( 1.690 -0.811 1.581) 2.452 15.186 ( 8.304 1.820 5.254) 9.993 15.522 ( 5.640 0.790 14.615) 15.686 15.898 ( 4.366 1.154 -5.412) 7.048 16.002 ( -0.838 -1.339 22.378) 22.433 16.049 ( -2.089 4.134 3.947) 6.085 16.490 ( 9.178 -2.620 -1.608) 9.679 16.645 ( 3.533 -1.402 -2.627) 4.620 17.029 ( -1.410 1.698 -11.861) 12.065 17.491 ( 0.609 -0.338 -9.478) 9.504 17.621 ( -6.662 -0.417 -6.446) 9.280 18.973 ( -5.199 -1.584 0.801) 5.494 19.194 ( -10.014 -1.968 -3.123) 10.673 20.832 ( 10.448 1.022 2.743) 10.850 22.241 ( -7.289 -0.813 4.569) 8.641======================= Grid point 29 (22/116) =======================q-point: (-0.20 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 282Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.202 ( -29.550 -0.000 0.000) 29.550 1.907 ( -33.532 -0.000 0.000) 33.532 2.791 ( -44.311 -0.000 0.000) 44.311 3.071 ( -2.685 -0.000 0.000) 2.685 3.563 ( -2.256 -0.000 0.000) 2.256 3.827 ( -3.110 -0.000 0.000) 3.110 4.979 ( -37.307 -0.000 0.000) 37.307 6.088 ( 17.074 0.000 -0.000) 17.074 7.722 ( 3.798 0.000 -0.000) 3.798 8.315 ( -1.926 -0.000 0.000) 1.926 8.751 ( 21.288 0.000 -0.000) 21.288 8.779 ( -4.955 -0.000 0.000) 4.955 8.947 ( 13.628 0.000 -0.000) 13.628 10.111 ( 11.453 0.000 -0.000) 11.453 10.981 ( 15.535 0.000 -0.000) 15.535 11.077 ( 6.797 0.000 -0.000) 6.797 11.355 ( -8.749 -0.000 0.000) 8.749 11.357 ( 9.532 0.000 -0.000) 9.532 11.487 ( 9.251 0.000 -0.000) 9.251 12.156 ( 5.918 0.000 -0.000) 5.918 12.426 ( -14.096 -0.000 0.000) 14.096 12.492 ( -11.254 -0.000 0.000) 11.254 12.842 ( 3.768 0.000 -0.000) 3.768 12.895 ( -6.427 -0.000 0.000) 6.427 13.718 ( -4.268 -0.000 0.000) 4.268 13.769 ( -7.019 -0.000 0.000) 7.019 14.605 ( -13.027 -0.000 0.000) 13.027 15.007 ( -0.618 -0.000 0.000) 0.618 15.303 ( 7.643 0.000 -0.000) 7.643 15.841 ( 5.744 0.000 -0.000) 5.744 15.848 ( 6.109 0.000 -0.000) 6.109 16.062 ( -0.202 -0.000 0.000) 0.202 16.106 ( -2.031 -0.000 0.000) 2.031 16.622 ( 3.761 0.000 -0.000) 3.761 16.691 ( 4.736 0.000 -0.000) 4.736 16.913 ( 4.053 0.000 -0.000) 4.053 17.436 ( 0.987 0.000 -0.000) 0.987 17.477 ( -5.122 -0.000 0.000) 5.122 18.896 ( -7.845 -0.000 0.000) 7.845 19.020 ( -12.799 -0.000 0.000) 12.799 21.005 ( 13.180 0.000 -0.000) 13.180 22.178 ( -7.878 -0.000 0.000) 7.878======================= Grid point 34 (23/116) =======================q-point: ( 0.30 0.30 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.392 ( -0.000 13.478 12.727) 18.537 3.010 ( 0.000 -0.644 -8.024) 8.049 3.106 ( -0.000 9.997 15.600) 18.529 3.633 ( 0.000 4.392 -1.216) 4.558 3.846 ( -0.000 4.941 2.763) 5.661 3.989 ( -0.000 -4.247 9.153) 10.090 5.843 ( 0.000 5.834 -7.712) 9.670 6.102 ( -0.000 11.237 5.652) 12.578 6.904 ( -0.000 -3.163 5.831) 6.633 8.188 ( 0.000 -14.114 -3.588) 14.563 8.784 ( 0.000 -10.313 -12.670) 16.337 9.079 ( 0.000 -8.106 -12.979) 15.302 9.346 ( -0.000 15.516 16.780) 22.854 9.654 ( -0.000 5.658 3.941) 6.895 10.164 ( 0.000 -34.837 -4.871) 35.176 11.031 ( 0.000 1.961 -9.462) 9.663 11.119 ( -0.000 -3.164 2.926) 4.310 11.457 ( 0.000 -15.521 -12.022) 19.633 11.963 ( -0.000 -0.675 6.071) 6.109 12.202 ( -0.000 11.002 0.649) 11.021 12.292 ( -0.000 -2.518 3.079) 3.977 13.087 ( 0.000 -5.269 -4.725) 7.078 13.273 ( 0.000 10.684 -5.484) 12.010 13.519 ( 0.000 5.117 -9.753) 11.014 13.693 ( 0.000 -1.463 -18.348) 18.406 13.704 ( -0.000 2.176 13.558) 13.731 14.066 ( -0.000 9.320 -1.322) 9.414 14.186 ( -0.000 1.163 37.173) 37.191 14.794 ( -0.000 10.240 11.005) 15.032 15.299 ( 0.000 5.644 -7.873) 9.687 15.556 ( -0.000 8.409 2.797) 8.862 15.747 ( 0.000 -15.884 -0.890) 15.909 15.973 ( 0.000 -8.051 -0.779) 8.089 16.458 ( 0.000 -0.760 -1.418) 1.609 16.764 ( 0.000 -5.643 -9.026) 10.645 17.479 ( -0.000 7.848 7.365) 10.763 17.903 ( 0.000 -3.391 -11.650) 12.133 18.090 ( 0.000 -0.285 -3.722) 3.733 19.101 ( -0.000 5.107 8.830) 10.200 19.168 ( -0.000 1.326 1.989) 2.391 20.760 ( 0.000 -6.735 -3.409) 7.549 22.288 ( -0.000 -7.586 9.286) 11.990======================= Grid point 35 (24/116) =======================q-point: ( 0.40 0.30 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.599 ( -4.611 11.356 8.593) 14.969 2.853 ( -4.563 -0.033 -9.844) 10.850 3.358 ( -0.222 5.837 11.533) 12.928 3.599 ( -6.755 4.576 -0.421) 8.170 3.948 ( 4.484 2.499 1.999) 5.509 4.034 ( -0.717 -5.684 2.665) 6.318 5.570 ( 4.044 -7.618 -18.639) 20.538 6.503 ( -0.895 25.763 17.957) 31.416 7.035 ( 5.188 0.723 9.457) 10.811 7.953 ( -13.460 -9.885 -5.287) 17.517 8.577 ( 5.152 -6.698 -11.985) 14.664 8.805 ( 1.085 -9.113 -17.731) 19.965 9.554 ( -9.801 6.720 11.742) 16.706 9.750 ( 8.032 -14.355 -4.273) 16.995 9.947 ( 8.017 -13.790 1.308) 16.005 10.905 ( -1.773 4.514 -8.563) 9.841 11.062 ( -7.690 -7.166 -1.311) 10.593 11.278 ( 8.419 -10.442 -5.432) 14.471 12.042 ( 1.735 -0.783 3.308) 3.816 12.152 ( -8.189 6.639 -4.586) 11.496 12.410 ( 7.713 -0.040 3.660) 8.538 12.967 ( -1.201 -6.922 -1.910) 7.281 13.252 ( -6.982 13.946 -5.018) 16.384 13.356 ( -7.728 -1.329 -6.793) 10.375 13.567 ( 7.604 -1.989 -4.045) 8.840 13.990 ( 2.658 8.758 7.970) 12.136 14.174 ( 4.439 6.452 9.774) 12.525 14.680 ( 1.165 2.965 25.874) 26.070 15.029 ( -0.598 4.757 18.023) 18.650 15.204 ( -0.625 3.856 -6.875) 7.907 15.568 ( -3.763 -5.285 -2.225) 6.858 15.704 ( 6.076 -0.678 -0.740) 6.158 15.948 ( -0.740 -3.532 4.573) 5.825 16.467 ( 2.872 -3.232 1.845) 4.701 16.585 ( 1.911 -7.116 -11.065) 13.294 17.546 ( -7.747 5.991 -1.928) 9.981 17.722 ( 4.513 -0.419 -13.104) 13.865 18.007 ( -1.793 0.336 -6.026) 6.297 19.139 ( -3.161 -0.310 0.581) 3.229 19.287 ( 4.710 2.533 4.801) 7.187 20.669 ( -1.301 -5.727 -1.682) 6.109 22.353 ( -2.842 -6.353 9.660) 11.906======================= Grid point 36 (25/116) =======================q-point: (-0.50 0.30 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.611 ( -8.406 -2.257 -11.595) 14.498 2.685 ( -10.612 9.962 5.288) 15.486 3.472 ( -9.244 3.768 6.024) 11.659 3.553 ( -5.322 3.808 2.599) 7.041 3.958 ( -2.447 -4.786 -2.256) 5.829 4.034 ( 2.371 -1.228 0.548) 2.725 5.410 ( 11.746 -4.397 -11.641) 17.112 6.767 ( -16.803 15.495 8.490) 24.383 7.269 ( 4.074 0.454 12.068) 12.745 7.713 ( -6.070 1.950 1.945) 6.666 8.471 ( 8.471 -3.549 -11.883) 15.019 8.506 ( 5.010 -9.430 -20.284) 22.923 9.556 ( -9.576 -5.713 1.113) 11.206 9.616 ( 6.273 -16.859 2.236) 18.126 10.115 ( 14.847 3.165 0.242) 15.182 10.845 ( 0.654 4.950 -3.012) 5.832 10.901 ( -1.423 -7.006 -4.085) 8.234 11.277 ( 4.578 -5.770 -0.263) 7.370 11.964 ( -4.386 3.459 -11.706) 12.971 12.122 ( -2.171 -1.307 5.535) 6.087 12.557 ( 5.298 -1.766 6.635) 8.672 12.904 ( -2.785 -5.237 1.212) 6.054 13.085 ( -9.070 8.584 -11.295) 16.838 13.264 ( -7.753 3.787 1.297) 8.726 13.651 ( 6.287 -3.806 5.245) 9.029 14.026 ( 2.851 5.428 -9.415) 11.235 14.546 ( 4.759 5.721 22.594) 23.788 14.893 ( 2.703 1.542 3.525) 4.702 15.086 ( -2.272 3.261 -5.939) 7.146 15.432 ( -2.843 -5.841 2.203) 6.860 15.508 ( 0.708 0.283 33.270) 33.278 15.761 ( 6.172 2.731 -3.730) 7.711 16.027 ( -2.042 3.354 8.045) 8.952 16.410 ( 3.558 -6.213 -11.734) 13.746 16.520 ( 4.140 -4.152 2.171) 6.252 17.334 ( -4.090 0.657 -16.959) 17.457 17.628 ( 0.031 3.537 -9.433) 10.075 17.908 ( -3.725 -0.389 -3.151) 4.895 19.087 ( -1.091 -2.683 -2.297) 3.696 19.387 ( 0.331 2.047 2.136) 2.977 20.618 ( 0.691 -3.895 0.309) 3.967 22.397 ( -4.789 -3.896 8.362) 10.394======================= Grid point 37 (26/116) =======================q-point: (-0.40 0.30 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.273 ( -19.942 -1.919 -8.599) 21.801 2.658 ( -10.984 5.630 1.669) 12.455 3.383 ( -15.390 4.702 2.106) 16.230 3.590 ( -4.347 2.643 5.429) 7.440 3.824 ( -4.473 -6.270 -5.946) 9.730 4.014 ( -3.827 -2.155 -0.519) 4.423 5.453 ( 16.206 -1.463 -5.026) 17.030 6.497 ( -37.192 1.570 -1.558) 37.257 7.494 ( 2.683 4.383 12.886) 13.873 7.923 ( 9.294 6.687 12.353) 16.843 8.263 ( 12.417 -9.112 -17.526) 23.332 8.373 ( 8.408 -2.306 -14.534) 16.949 9.460 ( -12.225 5.042 2.925) 13.544 9.624 ( 11.240 -15.364 1.554) 19.100 10.332 ( 17.754 2.047 0.068) 17.872 10.830 ( 3.460 -2.839 -3.013) 5.395 10.927 ( 7.242 5.057 2.895) 9.295 11.280 ( 1.800 -3.696 -0.339) 4.125 11.762 ( -5.806 0.367 -9.367) 11.027 12.146 ( -2.332 -1.631 2.961) 4.107 12.680 ( 0.925 -4.712 8.145) 9.455 12.835 ( -4.424 -4.635 0.184) 6.410 12.897 ( -7.921 10.318 -10.432) 16.674 13.201 ( -9.275 1.734 1.656) 9.580 13.772 ( 2.466 -4.865 7.587) 9.344 13.941 ( 1.130 3.634 -9.548) 10.279 14.860 ( 0.411 2.952 7.278) 7.865 14.953 ( 1.097 -3.016 2.498) 4.067 15.019 ( 3.925 4.149 -4.534) 7.293 15.441 ( 0.302 -0.524 11.347) 11.363 15.779 ( 5.347 1.205 -6.028) 8.147 16.013 ( -0.154 -1.033 28.122) 28.142 16.119 ( -3.143 4.990 3.560) 6.888 16.297 ( 5.963 -2.584 -1.577) 6.688 16.556 ( 3.532 -3.208 -0.112) 4.772 17.030 ( 0.820 -0.289 -23.687) 23.703 17.521 ( -2.091 2.157 -5.621) 6.373 17.807 ( -7.164 -0.781 -1.764) 7.419 19.029 ( -0.046 -2.462 -1.897) 3.108 19.378 ( -5.126 0.677 -0.240) 5.176 20.646 ( 4.858 -1.337 1.271) 5.197 22.407 ( -6.001 -1.539 5.012) 7.968======================= Grid point 38 (27/116) =======================q-point: (-0.30 0.30 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.907 ( -26.781 -0.000 0.000) 26.781 2.534 ( -16.214 -0.000 0.000) 16.214 3.247 ( -12.983 -0.000 0.000) 12.983 3.554 ( -16.085 -0.000 0.000) 16.085 3.648 ( -4.942 -0.000 0.000) 4.942 3.929 ( -6.015 -0.000 0.000) 6.015 5.607 ( 12.759 0.000 -0.000) 12.759 6.011 ( -36.357 -0.000 0.000) 36.357 7.645 ( 1.535 0.000 -0.000) 1.535 8.241 ( 6.157 0.000 -0.000) 6.157 8.291 ( 14.641 0.000 -0.000) 14.641 8.301 ( 21.610 0.000 -0.000) 21.610 9.309 ( -19.015 -0.000 0.000) 19.015 9.767 ( 16.524 0.000 -0.000) 16.524 10.570 ( 18.397 0.000 -0.000) 18.397 10.862 ( 7.374 0.000 -0.000) 7.374 11.133 ( 14.135 0.000 -0.000) 14.135 11.260 ( 0.074 0.000 -0.000) 0.074 11.603 ( -7.482 -0.000 0.000) 7.482 12.128 ( -2.100 -0.000 0.000) 2.100 12.715 ( -5.440 -0.000 0.000) 5.440 12.726 ( -10.012 -0.000 0.000) 10.012 12.780 ( -1.195 -0.000 0.000) 1.195 13.107 ( -9.262 -0.000 0.000) 9.262 13.818 ( -2.888 -0.000 0.000) 2.888 13.877 ( -0.592 -0.000 0.000) 0.592 14.826 ( -6.470 -0.000 0.000) 6.470 14.987 ( 1.780 0.000 -0.000) 1.780 15.098 ( 8.595 0.000 -0.000) 8.595 15.696 ( 5.724 0.000 -0.000) 5.724 15.711 ( 4.562 0.000 -0.000) 4.562 16.064 ( -0.014 -0.000 0.000) 0.014 16.170 ( -3.107 -0.000 0.000) 3.107 16.522 ( 3.829 0.000 -0.000) 3.829 16.591 ( 3.546 0.000 -0.000) 3.546 16.785 ( 5.115 0.000 -0.000) 5.115 17.464 ( -2.404 -0.000 0.000) 2.404 17.682 ( -9.518 -0.000 0.000) 9.518 19.003 ( -1.085 -0.000 0.000) 1.085 19.286 ( -8.783 -0.000 0.000) 8.783 20.736 ( 8.390 0.000 -0.000) 8.390 22.359 ( -6.863 -0.000 0.000) 6.863======================= Grid point 45 (28/116) =======================q-point: ( 0.40 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 282Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.659 ( 0.000 -0.160 -7.213) 7.215 2.878 ( -0.000 7.044 3.531) 7.880 3.530 ( -0.000 4.555 7.778) 9.014 3.649 ( 0.000 2.408 -1.118) 2.655 3.975 ( -0.000 2.751 2.320) 3.599 4.040 ( -0.000 -4.842 1.551) 5.084 5.244 ( 0.000 -6.835 -14.997) 16.482 6.953 ( -0.000 25.814 17.322) 31.087 7.180 ( -0.000 4.810 13.168) 14.019 7.927 ( 0.000 -6.843 -3.202) 7.556 8.322 ( 0.000 -5.426 -12.397) 13.532 8.463 ( 0.000 -9.331 -20.851) 22.843 9.438 ( 0.000 -26.260 -4.177) 26.590 9.769 ( 0.000 -3.087 -5.994) 6.742 9.880 ( -0.000 5.532 9.224) 10.756 10.805 ( 0.000 6.337 -9.653) 11.547 10.960 ( 0.000 -15.672 -5.377) 16.569 11.230 ( -0.000 -0.827 6.448) 6.501 12.002 ( 0.000 1.808 -8.556) 8.745 12.201 ( -0.000 2.577 0.275) 2.591 12.455 ( -0.000 -0.504 10.285) 10.298 12.943 ( -0.000 -5.369 2.490) 5.919 13.228 ( 0.000 4.439 -14.850) 15.500 13.389 ( -0.000 2.244 2.582) 3.421 13.503 ( -0.000 0.137 5.406) 5.408 13.980 ( 0.000 7.594 -9.435) 12.112 14.491 ( -0.000 6.222 24.462) 25.241 14.851 ( -0.000 2.438 1.442) 2.833 15.109 ( 0.000 -0.615 -5.361) 5.396 15.473 ( -0.000 1.789 36.422) 36.466 15.562 ( 0.000 -9.171 0.593) 9.190 15.629 ( 0.000 6.350 -3.798) 7.399 16.055 ( -0.000 3.601 9.011) 9.704 16.368 ( 0.000 -6.671 -11.209) 13.044 16.464 ( -0.000 -4.987 3.897) 6.329 17.380 ( 0.000 -1.795 -23.396) 23.464 17.634 ( 0.000 6.615 -6.285) 9.125 17.954 ( 0.000 -0.096 -2.160) 2.162 19.098 ( 0.000 -3.845 -4.209) 5.701 19.377 ( -0.000 3.874 5.855) 7.021 20.615 ( 0.000 -4.977 -1.413) 5.174 22.459 ( -0.000 -4.653 8.390) 9.594======================= Grid point 46 (29/116) =======================q-point: (-0.50 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.533 ( -3.118 -1.175 -6.339) 7.162 2.916 ( -8.304 4.279 2.566) 9.687 3.623 ( -3.798 2.414 0.240) 4.507 3.642 ( 0.168 1.429 3.671) 3.943 3.977 ( -7.024 -2.776 -0.244) 7.557 4.026 ( 1.094 0.827 0.996) 1.695 5.107 ( 9.732 -3.391 -7.459) 12.722 7.221 ( -17.762 14.677 9.384) 24.879 7.451 ( 1.812 5.473 16.044) 17.048 7.828 ( -2.398 2.080 3.507) 4.730 8.102 ( 1.392 -10.146 -20.984) 23.350 8.179 ( 7.343 -4.235 -12.314) 14.950 9.285 ( 8.271 -18.865 -1.094) 20.627 9.688 ( 1.407 1.176 -3.771) 4.194 10.014 ( 3.770 2.105 2.441) 4.960 10.762 ( 3.073 8.408 -6.478) 11.050 10.820 ( 0.642 -12.739 0.014) 12.755 11.300 ( -1.777 -0.447 4.825) 5.161 11.867 ( -2.453 0.830 -8.479) 8.866 12.218 ( -2.503 0.421 2.574) 3.614 12.623 ( 2.242 -0.430 10.312) 10.562 12.932 ( -2.374 -3.622 1.928) 4.740 13.032 ( -2.896 2.656 -12.050) 12.674 13.402 ( -6.128 2.772 1.853) 6.976 13.641 ( 5.612 -2.305 8.363) 10.332 13.886 ( 2.309 4.676 -11.296) 12.441 14.828 ( 0.717 4.023 15.104) 15.647 14.866 ( 2.986 0.610 -1.310) 3.317 15.047 ( -1.935 -0.518 -2.154) 2.941 15.497 ( -4.064 -2.069 4.285) 6.258 15.644 ( 5.384 1.718 -4.228) 7.058 16.011 ( 0.181 0.018 35.488) 35.489 16.174 ( -0.642 -0.840 -6.279) 6.368 16.214 ( 0.709 2.848 4.156) 5.087 16.488 ( 1.644 -4.582 2.450) 5.450 17.010 ( 0.506 -1.274 -27.978) 28.012 17.557 ( -0.639 3.301 -7.026) 7.789 17.933 ( -2.766 -0.163 0.376) 2.797 19.016 ( 0.468 -3.016 -3.447) 4.604 19.455 ( -1.422 2.313 2.660) 3.801 20.577 ( 1.202 -2.876 -0.486) 3.155 22.514 ( -2.415 -2.202 4.939) 5.923======================= Grid point 47 (30/116) =======================q-point: (-0.40 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 282Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.398 ( -11.028 -0.000 0.000) 11.028 2.821 ( -11.243 -0.000 0.000) 11.243 3.560 ( -8.262 -0.000 0.000) 8.262 3.689 ( 0.206 0.000 -0.000) 0.206 3.838 ( -10.910 -0.000 0.000) 10.910 4.037 ( -0.982 -0.000 0.000) 0.982 5.209 ( 15.807 0.000 -0.000) 15.807 6.951 ( -35.587 -0.000 0.000) 35.587 7.684 ( -4.379 -0.000 0.000) 4.379 7.874 ( 12.363 0.000 -0.000) 12.363 8.054 ( 5.464 0.000 -0.000) 5.464 8.056 ( 8.934 0.000 -0.000) 8.934 9.359 ( 14.915 0.000 -0.000) 14.915 9.660 ( -6.371 -0.000 0.000) 6.371 10.129 ( 13.673 0.000 -0.000) 13.673 10.770 ( 1.095 0.000 -0.000) 1.095 10.842 ( 8.764 0.000 -0.000) 8.764 11.302 ( -2.995 -0.000 0.000) 2.995 11.756 ( -4.958 -0.000 0.000) 4.958 12.204 ( -3.254 -0.000 0.000) 3.254 12.730 ( 0.787 0.000 -0.000) 0.787 12.895 ( -4.297 -0.000 0.000) 4.297 12.897 ( -3.906 -0.000 0.000) 3.906 13.332 ( -8.715 -0.000 0.000) 8.715 13.797 ( 5.542 0.000 -0.000) 5.542 13.820 ( 2.746 0.000 -0.000) 2.746 14.911 ( 5.842 0.000 -0.000) 5.842 14.954 ( 0.776 0.000 -0.000) 0.776 14.974 ( -5.610 -0.000 0.000) 5.610 15.590 ( 2.824 0.000 -0.000) 2.824 15.622 ( 2.805 0.000 -0.000) 2.805 16.066 ( -0.218 -0.000 0.000) 0.218 16.243 ( -2.462 -0.000 0.000) 2.462 16.451 ( 1.933 0.000 -0.000) 1.933 16.519 ( 2.231 0.000 -0.000) 2.231 16.687 ( 2.804 0.000 -0.000) 2.804 17.510 ( -0.893 -0.000 0.000) 0.893 17.880 ( -6.009 -0.000 0.000) 6.009 18.990 ( 1.146 0.000 -0.000) 1.146 19.444 ( -4.179 -0.000 0.000) 4.179 20.595 ( 3.516 0.000 -0.000) 3.516 22.501 ( -4.353 -0.000 0.000) 4.353======================= Grid point 57 (31/116) =======================q-point: (-0.50 0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 156Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.503 ( 0.000 0.000 -0.000) 0.000 3.003 ( 0.000 0.000 -0.000) 0.000 3.648 ( 0.000 0.000 -0.000) 0.000 3.671 ( 0.000 0.000 -0.000) 0.000 4.021 ( 0.000 0.000 -0.000) 0.000 4.032 ( 0.000 0.000 -0.000) 0.000 4.973 ( 0.000 0.000 -0.000) 0.000 7.534 ( 0.000 0.000 -0.000) 0.000 7.720 ( 0.000 0.000 -0.000) 0.000 7.765 ( 0.000 0.000 -0.000) 0.000 7.846 ( 0.000 0.000 -0.000) 0.000 7.992 ( 0.000 0.000 -0.000) 0.000 9.152 ( 0.000 0.000 -0.000) 0.000 9.620 ( 0.000 0.000 -0.000) 0.000 10.037 ( 0.000 0.000 -0.000) 0.000 10.730 ( 0.000 0.000 -0.000) 0.000 10.762 ( 0.000 0.000 -0.000) 0.000 11.353 ( 0.000 0.000 -0.000) 0.000 11.823 ( 0.000 0.000 -0.000) 0.000 12.251 ( 0.000 0.000 -0.000) 0.000 12.716 ( 0.000 0.000 -0.000) 0.000 12.936 ( 0.000 0.000 -0.000) 0.000 12.949 ( 0.000 0.000 -0.000) 0.000 13.469 ( 0.000 0.000 -0.000) 0.000 13.711 ( 0.000 0.000 -0.000) 0.000 13.752 ( -0.000 -0.000 0.000) 0.000 14.834 ( 0.000 0.000 -0.000) 0.000 14.949 ( 0.000 0.000 -0.000) 0.000 15.055 ( 0.000 0.000 -0.000) 0.000 15.556 ( 0.000 0.000 -0.000) 0.000 15.583 ( 0.000 0.000 -0.000) 0.000 16.070 ( 0.000 0.000 -0.000) 0.000 16.275 ( 0.000 0.000 -0.000) 0.000 16.427 ( 0.000 0.000 -0.000) 0.000 16.491 ( 0.000 0.000 -0.000) 0.000 16.652 ( 0.000 0.000 -0.000) 0.000 17.516 ( 0.000 0.000 -0.000) 0.000 17.955 ( 0.000 0.000 -0.000) 0.000 18.974 ( 0.000 0.000 -0.000) 0.000 19.494 ( 0.000 0.000 -0.000) 0.000 20.553 ( 0.000 0.000 -0.000) 0.000 22.556 ( 0.000 0.000 -0.000) 0.000======================= Grid point 114 (32/116) =======================q-point: ( 0.10 0.10 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 110Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.448 ( -0.000 0.000 31.204) 31.204 1.448 ( -0.000 -0.000 31.204) 31.204 2.608 ( -0.000 -0.000 45.579) 45.579 3.512 ( -0.000 -0.000 3.411) 3.411 3.529 ( -0.000 0.000 0.060) 0.060 3.529 ( 0.000 -0.000 0.060) 0.060 4.346 ( -0.000 -0.000 20.576) 20.576 7.384 ( 0.000 0.000 -18.434) 18.434 7.384 ( 0.000 0.000 -18.434) 18.434 7.568 ( -0.000 -0.000 25.867) 25.867 8.824 ( -0.000 0.000 8.728) 8.728 8.824 ( -0.000 -0.000 8.728) 8.728 9.662 ( 0.000 0.000 -8.681) 8.681 9.662 ( 0.000 0.000 -8.681) 8.681 10.913 ( 0.000 0.000 -0.168) 0.168 11.194 ( 0.000 0.000 -0.528) 0.528 11.620 ( -0.000 0.000 0.195) 0.195 11.620 ( 0.000 -0.000 0.195) 0.195 11.874 ( -0.000 -0.000 2.693) 2.693 11.874 ( -0.000 -0.000 2.693) 2.693 12.264 ( -0.000 -0.000 15.939) 15.939 12.595 ( 0.000 0.000 -1.700) 1.700 12.973 ( -0.000 -0.000 11.038) 11.038 13.539 ( 0.000 -0.000 -4.154) 4.154 13.539 ( 0.000 -0.000 -4.154) 4.154 14.001 ( 0.000 0.000 -9.099) 9.099 14.009 ( -0.000 -0.000 11.800) 11.800 14.927 ( 0.000 0.000 -27.841) 27.841 14.927 ( 0.000 0.000 -27.841) 27.841 15.114 ( 0.000 0.000 -3.292) 3.292 15.114 ( 0.000 0.000 -3.292) 3.292 16.093 ( -0.000 0.000 1.201) 1.201 16.093 ( -0.000 -0.000 1.201) 1.201 16.707 ( 0.000 0.000 -2.595) 2.595 16.707 ( 0.000 -0.000 -2.595) 2.595 17.038 ( -0.000 -0.000 12.091) 12.091 18.355 ( -0.000 0.000 8.459) 8.459 18.355 ( -0.000 -0.000 8.459) 8.459 18.421 ( -0.000 -0.000 6.866) 6.866 18.421 ( -0.000 -0.000 6.866) 6.866 21.268 ( 0.000 0.000 -9.858) 9.858 22.133 ( -0.000 -0.000 8.834) 8.834======================= Grid point 115 (33/116) =======================q-point: ( 0.20 0.10 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.630 ( -11.548 -6.667 27.408) 30.480 2.115 ( 14.221 8.210 27.046) 31.641 3.109 ( 3.226 1.863 15.299) 15.746 3.445 ( -5.459 -3.152 -0.704) 6.343 3.576 ( 1.459 0.842 15.741) 15.831 3.699 ( 10.111 5.838 1.268) 11.744 4.744 ( 10.589 6.114 23.045) 26.087 6.865 ( -18.733 -10.816 -15.845) 26.814 7.254 ( 7.582 4.377 -16.830) 18.971 8.059 ( 7.038 4.063 27.642) 28.811 8.712 ( -15.175 -8.761 3.137) 17.801 9.160 ( 12.717 7.342 6.770) 16.170 9.498 ( -0.238 -0.137 -9.798) 9.801 9.509 ( -2.538 -1.465 -9.778) 10.208 10.879 ( 0.014 0.008 -5.186) 5.186 11.155 ( -6.990 -4.036 0.749) 8.106 11.458 ( -7.052 -4.072 -0.647) 8.169 11.695 ( -5.578 -3.221 2.268) 6.829 11.870 ( 3.234 1.867 1.399) 3.987 12.033 ( 8.274 4.777 3.959) 10.342 12.488 ( -3.443 -1.988 -7.699) 8.664 12.553 ( 4.311 2.489 18.818) 19.465 13.194 ( -2.014 -1.163 26.928) 27.029 13.260 ( -10.262 -5.925 -9.579) 15.237 13.772 ( 20.635 11.913 -4.478) 24.244 13.817 ( -7.073 -4.084 -6.576) 10.486 14.225 ( 5.566 3.214 11.360) 13.052 14.427 ( -1.127 -0.651 -35.924) 35.947 14.433 ( -1.364 -0.788 -33.338) 33.375 15.138 ( -2.395 -1.383 3.896) 4.777 15.271 ( 8.563 4.944 6.145) 11.641 16.078 ( -2.236 -1.291 1.416) 2.945 16.130 ( 0.571 0.330 0.253) 0.706 16.621 ( -1.381 -0.797 -4.153) 4.449 16.755 ( 4.971 2.870 -0.313) 5.748 17.178 ( -2.177 -1.257 10.090) 10.398 18.247 ( -7.183 -4.147 -3.085) 8.849 18.247 ( -4.193 -2.421 -2.593) 5.492 18.641 ( 3.034 1.752 13.559) 14.005 18.796 ( 10.914 6.301 12.743) 17.922 21.098 ( -4.222 -2.437 -8.844) 10.099 22.226 ( -4.069 -2.350 9.243) 10.369======================= Grid point 116 (34/116) =======================q-point: ( 0.30 0.10 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.827 ( -7.059 -4.075 22.135) 23.588 2.635 ( 7.664 4.425 21.183) 22.957 3.174 ( -0.733 -0.423 -1.727) 1.923 3.339 ( -6.376 -3.681 -0.187) 7.365 3.873 ( 10.570 6.102 1.102) 12.255 3.920 ( 6.156 3.554 14.861) 16.474 5.292 ( 16.716 9.651 22.340) 29.524 6.374 ( -13.550 -7.823 -16.203) 22.524 7.180 ( 8.429 4.867 -12.009) 15.458 8.402 ( -21.327 -12.313 -4.911) 25.111 8.521 ( 0.679 0.392 27.863) 27.874 9.184 ( -1.550 -0.895 -9.040) 9.215 9.333 ( -1.867 -1.078 -10.131) 10.358 9.623 ( 14.206 8.202 5.419) 17.275 10.791 ( 0.067 0.039 -6.452) 6.452 10.959 ( -15.582 -8.996 -1.197) 18.033 11.402 ( -0.826 -0.477 0.099) 0.959 11.531 ( -13.412 -7.743 -0.815) 15.508 11.982 ( 6.825 3.941 1.163) 7.966 12.233 ( 8.941 5.162 4.115) 11.114 12.352 ( -1.139 -0.658 -6.016) 6.158 12.874 ( -0.436 -0.251 14.023) 14.032 12.990 ( -1.955 -1.129 -6.714) 7.083 13.609 ( -7.625 -4.402 -5.071) 10.161 13.628 ( 1.782 1.029 33.243) 33.307 13.842 ( 2.562 1.479 -28.181) 28.335 14.047 ( 0.018 0.011 -18.750) 18.750 14.107 ( 13.251 7.651 -7.730) 17.143 14.481 ( 7.067 4.080 9.555) 12.566 15.127 ( -3.741 -2.160 2.044) 4.779 15.493 ( 9.408 5.432 4.100) 11.612 16.055 ( -2.786 -1.608 1.039) 3.381 16.089 ( -3.504 -2.023 -3.460) 5.324 16.573 ( 2.363 1.364 -3.138) 4.158 16.836 ( 4.794 2.768 -0.479) 5.557 17.236 ( -4.398 -2.539 5.865) 7.759 18.093 ( -5.327 -3.076 -4.095) 7.390 18.152 ( -0.656 -0.379 -6.000) 6.048 18.839 ( 1.047 0.604 10.215) 10.286 19.115 ( 9.704 5.603 8.727) 14.203 20.902 ( -6.124 -3.536 -6.582) 9.661 22.262 ( -7.105 -4.102 9.315) 12.413======================= Grid point 117 (35/116) =======================q-point: ( 0.40 0.10 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.987 ( -6.761 -3.904 15.657) 17.496 2.886 ( -0.337 -0.194 2.588) 2.617 3.150 ( -2.539 -1.466 4.776) 5.604 3.251 ( -5.538 -3.198 2.401) 6.831 4.020 ( 6.141 3.545 0.030) 7.091 4.140 ( 4.847 2.798 3.599) 6.654 5.854 ( 15.643 9.031 17.706) 25.293 6.004 ( -5.404 -3.120 -13.752) 15.101 7.213 ( 10.192 5.884 -4.488) 12.596 7.920 ( -23.204 -13.397 -9.315) 28.367 8.773 ( -5.741 -3.315 12.427) 14.085 9.101 ( 0.374 0.216 0.476) 0.643 9.166 ( 0.535 0.309 -12.424) 12.440 9.927 ( 12.671 7.316 5.541) 15.645 10.648 ( -16.666 -9.622 -4.481) 19.759 10.726 ( 2.010 1.160 -4.664) 5.209 11.290 ( -10.741 -6.201 -4.179) 13.088 11.400 ( -0.283 -0.163 0.561) 0.649 12.104 ( 6.146 3.548 0.710) 7.132 12.259 ( -0.758 -0.438 -6.234) 6.295 12.423 ( 7.551 4.359 3.356) 9.342 12.747 ( -2.101 -1.213 -7.515) 7.897 13.103 ( -3.319 -1.916 3.127) 4.947 13.434 ( -2.620 -1.512 -22.809) 23.009 13.526 ( -0.503 -0.290 5.670) 5.700 13.951 ( 2.082 1.202 4.352) 4.972 14.168 ( 5.091 2.939 29.256) 29.841 14.241 ( 9.265 5.349 -1.700) 10.832 14.718 ( 5.132 2.963 10.914) 12.419 15.089 ( -2.478 -1.431 0.100) 2.863 15.677 ( 9.550 5.514 -0.612) 11.044 15.932 ( -6.242 -3.604 -6.147) 9.473 16.017 ( -2.723 -1.572 0.266) 3.155 16.605 ( 4.522 2.611 -1.170) 5.351 16.868 ( 2.517 1.453 -4.299) 5.189 17.206 ( -5.588 -3.226 2.145) 6.799 17.966 ( -3.185 -1.839 -4.297) 5.656 18.045 ( 1.351 0.780 -10.633) 10.747 18.961 ( -1.196 -0.690 7.576) 7.701 19.344 ( 7.475 4.316 3.494) 9.312 20.733 ( -5.620 -3.245 -3.334) 7.296 22.263 ( -8.438 -4.872 9.308) 13.475======================= Grid point 118 (36/116) =======================q-point: (-0.50 0.10 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.009 ( -12.075 -6.972 9.097) 16.649 2.728 ( -8.759 -5.057 -11.779) 15.525 3.161 ( -7.169 -4.139 5.314) 9.837 3.246 ( -2.381 -1.375 6.337) 6.908 4.063 ( 1.273 0.735 -1.744) 2.281 4.191 ( 0.829 0.479 -3.654) 3.777 5.834 ( 3.736 2.157 -8.828) 9.825 6.158 ( -3.499 -2.020 5.373) 6.723 7.346 ( 4.631 2.674 -1.867) 5.664 7.576 ( -0.596 -0.344 2.451) 2.546 8.775 ( -0.477 -0.275 -0.941) 1.090 9.007 ( 4.493 2.594 -16.035) 16.854 9.093 ( -9.801 -5.659 4.998) 12.371 10.128 ( 1.665 0.961 0.571) 2.005 10.403 ( -2.672 -1.542 0.675) 3.158 10.737 ( 4.580 2.644 -1.138) 5.410 11.089 ( -5.027 -2.902 -5.849) 8.240 11.410 ( -0.230 -0.133 1.393) 1.418 12.129 ( -1.039 -0.600 -8.897) 8.977 12.198 ( 4.609 2.661 -1.633) 5.567 12.542 ( 3.554 2.052 -2.445) 4.777 12.663 ( -0.168 -0.097 -1.054) 1.072 13.013 ( -3.013 -1.740 -3.154) 4.696 13.147 ( -4.959 -2.863 -9.547) 11.133 13.623 ( -2.641 -1.525 9.791) 10.255 14.206 ( 4.706 2.717 -12.855) 13.956 14.248 ( 7.529 4.347 23.645) 25.193 14.655 ( 2.132 1.231 20.656) 20.802 14.996 ( 1.671 0.965 14.616) 14.743 15.064 ( 0.002 0.001 9.718) 9.718 15.692 ( 0.248 0.143 -11.626) 11.630 15.837 ( 3.064 1.769 0.171) 3.542 15.981 ( -1.614 -0.932 -0.270) 1.883 16.663 ( 4.061 2.345 -1.282) 4.861 16.797 ( 1.405 0.811 -9.848) 9.981 17.135 ( -5.552 -3.206 1.246) 6.531 17.862 ( -2.763 -1.595 -4.293) 5.349 17.893 ( 2.368 1.367 -15.738) 15.973 19.015 ( -3.206 -1.851 5.507) 6.636 19.434 ( 2.274 1.313 -2.573) 3.676 20.652 ( -1.361 -0.786 0.703) 1.721 22.253 ( -8.307 -4.796 8.938) 13.111======================= Grid point 119 (37/116) =======================q-point: (-0.40 0.10 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.855 ( -19.230 -11.102 6.249) 23.067 2.304 ( -19.586 -11.308 -14.586) 26.911 3.083 ( -5.657 -3.266 0.018) 6.532 3.334 ( 0.083 0.048 8.087) 8.087 4.012 ( -8.774 -5.065 -10.125) 14.323 4.034 ( -4.167 -2.406 -3.446) 5.919 5.859 ( 10.059 5.807 -4.951) 12.626 5.860 ( -27.343 -15.787 -5.565) 32.060 7.410 ( 7.676 4.431 2.383) 9.178 7.888 ( 15.163 8.755 12.220) 21.352 8.764 ( 6.775 3.911 -8.444) 11.511 8.885 ( 10.371 5.988 -18.010) 21.628 8.922 ( -18.185 -10.499 6.337) 21.934 10.066 ( -4.371 -2.524 2.103) 5.468 10.566 ( 10.008 5.778 6.129) 13.081 10.853 ( 7.168 4.139 4.409) 9.378 10.976 ( 1.945 1.123 -6.495) 6.872 11.418 ( -0.512 -0.296 0.168) 0.615 11.959 ( -1.952 -1.127 -11.462) 11.681 12.226 ( 3.654 2.110 -4.414) 6.106 12.451 ( -2.116 -1.222 -8.555) 8.897 12.679 ( -5.595 -3.230 5.596) 8.547 12.974 ( 5.300 3.060 -5.081) 7.954 12.995 ( -6.727 -3.884 0.473) 7.782 13.720 ( -5.662 -3.269 13.704) 15.183 14.053 ( -1.515 -0.875 -11.765) 11.895 14.755 ( 10.194 5.886 26.195) 28.718 14.759 ( -2.200 -1.270 -4.388) 5.070 15.010 ( -0.552 -0.319 3.348) 3.409 15.544 ( 0.092 0.053 -7.514) 7.515 15.545 ( 1.931 1.115 37.295) 37.362 15.892 ( 4.486 2.590 -1.897) 5.516 15.961 ( -0.025 -0.014 -0.604) 0.604 16.669 ( 3.316 1.915 -12.820) 13.379 16.688 ( 2.729 1.576 -3.256) 4.532 17.069 ( -4.805 -2.774 1.217) 5.680 17.693 ( 2.978 1.719 -18.618) 18.932 17.739 ( -3.944 -2.277 -5.915) 7.465 19.013 ( -5.160 -2.979 4.101) 7.233 19.349 ( -4.391 -2.535 -6.313) 8.097 20.713 ( 5.157 2.977 3.065) 6.697 22.239 ( -7.639 -4.410 7.600) 11.643======================= Grid point 120 (38/116) =======================q-point: (-0.30 0.10 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.591 ( -24.941 -14.400 8.849) 30.128 1.755 ( -26.058 -15.045 -7.850) 31.097 2.987 ( -6.142 -3.546 -1.618) 7.275 3.448 ( 0.403 0.233 7.114) 7.130 3.507 ( -26.362 -15.220 -16.069) 34.421 3.938 ( -2.949 -1.703 -4.853) 5.929 5.281 ( -32.227 -18.607 -4.602) 37.497 5.999 ( 13.030 7.523 -2.354) 15.229 7.589 ( 7.873 4.546 2.233) 9.361 8.279 ( 10.846 6.262 11.917) 17.288 8.674 ( -8.050 -4.647 -4.157) 10.182 8.831 ( 1.055 0.609 2.693) 2.956 8.877 ( 17.580 10.150 -14.663) 25.042 10.095 ( 1.639 0.946 4.728) 5.093 10.834 ( 9.516 5.494 9.180) 14.319 10.973 ( 8.747 5.050 -6.606) 12.069 11.092 ( 8.148 4.704 10.883) 14.386 11.398 ( -0.001 -0.001 -2.008) 2.008 11.760 ( -1.064 -0.614 -12.635) 12.694 12.204 ( 3.226 1.863 -6.042) 7.098 12.276 ( -5.248 -3.030 -7.795) 9.874 12.617 ( -10.650 -6.149 5.793) 13.593 12.915 ( -7.314 -4.223 3.561) 9.165 12.994 ( 7.260 4.191 -9.147) 12.407 13.813 ( -7.566 -4.368 15.159) 17.496 13.856 ( -4.884 -2.820 -8.326) 10.056 14.569 ( -6.802 -3.927 -9.246) 12.131 15.054 ( -0.943 -0.545 2.956) 3.150 15.211 ( 9.469 5.467 9.925) 14.767 15.554 ( 4.673 2.698 8.152) 9.776 15.945 ( 2.535 1.464 2.048) 3.572 15.958 ( 1.594 0.921 -1.904) 2.648 16.012 ( -1.330 -0.768 23.383) 23.434 16.615 ( 7.152 4.129 -2.498) 8.628 16.669 ( 1.837 1.061 -4.228) 4.731 16.984 ( -2.505 -1.446 -6.309) 6.940 17.507 ( 2.422 1.398 -12.548) 12.856 17.570 ( -4.170 -2.408 -8.315) 9.609 18.963 ( -7.304 -4.217 3.307) 9.060 19.147 ( -8.846 -5.107 -6.195) 11.946 20.882 ( 10.053 5.804 2.636) 11.903 22.207 ( -7.297 -4.213 4.871) 9.733======================= Grid point 121 (39/116) =======================q-point: (-0.20 0.10 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.334 ( -27.195 -15.701 16.993) 35.705 1.337 ( -27.069 -15.628 13.366) 33.994 2.527 ( -41.867 -24.172 -13.507) 50.195 3.079 ( -4.262 -2.461 -0.761) 4.980 3.535 ( -0.356 -0.206 5.179) 5.195 3.816 ( -3.073 -1.774 -5.062) 6.182 4.738 ( -30.212 -17.443 0.795) 34.895 6.211 ( 14.154 8.172 0.995) 16.374 7.680 ( 5.506 3.179 -5.183) 8.203 8.449 ( -15.960 -9.215 -0.239) 18.431 8.555 ( 3.867 2.232 10.603) 11.504 8.955 ( 12.103 6.988 -1.589) 14.066 9.068 ( 22.547 13.018 -5.392) 26.588 10.199 ( 6.913 3.991 -3.437) 8.691 11.069 ( 13.167 7.602 -5.533) 16.180 11.108 ( 4.928 2.845 10.335) 11.798 11.279 ( -6.812 -3.933 5.283) 9.476 11.398 ( 4.566 2.636 -0.374) 5.286 11.688 ( 11.920 6.882 -3.297) 14.154 12.067 ( -7.224 -4.171 -7.573) 11.266 12.192 ( 6.726 3.883 -5.719) 9.645 12.517 ( -13.318 -7.689 7.795) 17.241 12.833 ( -6.909 -3.989 0.742) 8.012 12.947 ( 4.467 2.579 -8.004) 9.522 13.687 ( -5.836 -3.370 -2.663) 7.246 13.895 ( -7.924 -4.575 14.310) 16.985 14.328 ( -8.666 -5.003 -6.657) 12.019 15.048 ( -3.644 -2.104 1.730) 4.550 15.336 ( 6.895 3.981 -4.177) 8.991 15.852 ( 5.715 3.300 12.564) 14.192 15.928 ( 3.277 1.892 -9.902) 10.600 16.034 ( 0.663 0.383 4.818) 4.878 16.102 ( -1.353 -0.781 -0.446) 1.625 16.647 ( 2.472 1.427 -3.271) 4.342 16.816 ( 1.846 1.066 -13.839) 14.002 16.849 ( 3.312 1.912 13.975) 14.489 17.425 ( 0.504 0.291 -3.486) 3.534 17.467 ( 1.496 0.864 2.718) 3.221 18.869 ( -9.373 -5.411 2.822) 11.184 18.912 ( -10.756 -6.210 -4.051) 13.064 21.090 ( 12.302 7.102 0.238) 14.207 22.129 ( -7.381 -4.262 0.995) 8.581======================= Grid point 122 (40/116) =======================q-point: (-0.10 0.10 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.192 ( -28.730 -16.587 14.404) 36.167 1.220 ( -24.087 -13.907 27.381) 39.029 1.746 ( -40.240 -23.233 22.562) 51.653 3.119 ( 1.632 0.942 8.294) 8.506 3.579 ( -1.531 -0.884 3.321) 3.762 3.709 ( -1.906 -1.100 -4.437) 4.953 4.349 ( -23.935 -13.819 7.699) 28.690 6.503 ( 15.569 8.989 7.666) 19.544 7.640 ( 5.339 3.082 -12.533) 13.967 8.160 ( -16.538 -9.548 -1.904) 19.191 8.715 ( -1.382 -0.798 10.198) 10.322 9.097 ( 8.479 4.896 -8.243) 12.799 9.405 ( 20.919 12.077 0.058) 24.155 10.075 ( -1.233 -0.712 -24.251) 24.293 11.101 ( -12.047 -6.955 -1.596) 14.002 11.198 ( 0.388 0.224 -0.099) 0.459 11.237 ( 15.495 8.946 -4.483) 18.445 11.583 ( 8.596 4.963 6.416) 11.819 11.844 ( -8.370 -4.833 -4.662) 10.731 11.881 ( 3.138 1.812 4.438) 5.729 12.346 ( 20.086 11.597 -1.604) 23.249 12.363 ( -16.781 -9.688 5.145) 20.048 12.714 ( -5.529 -3.192 -2.452) 6.838 13.132 ( 14.734 8.507 17.514) 24.417 13.601 ( -4.530 -2.616 1.998) 5.599 13.933 ( -7.400 -4.272 8.843) 12.297 14.107 ( -10.860 -6.270 -2.234) 12.738 15.005 ( -4.607 -2.660 2.819) 6.020 15.367 ( 1.532 0.885 -4.404) 4.746 15.754 ( 4.309 2.488 -23.520) 24.040 15.920 ( -1.176 -0.679 -21.837) 21.879 16.008 ( 1.215 0.702 2.241) 2.644 16.093 ( -0.383 -0.221 1.208) 1.287 16.698 ( 4.092 2.363 3.745) 6.030 16.773 ( 2.265 1.308 1.202) 2.878 16.882 ( -3.672 -2.120 -4.969) 6.533 17.619 ( 8.058 4.652 16.916) 19.307 17.634 ( 4.879 2.817 13.781) 14.889 18.696 ( -10.472 -6.046 -1.869) 12.236 18.739 ( -10.819 -6.246 2.229) 12.690 21.266 ( 11.655 6.729 -3.687) 13.954 22.010 ( -6.393 -3.691 0.031) 7.382======================= Grid point 125 (41/116) =======================q-point: ( 0.20 0.20 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.022 ( -0.000 -8.157 23.267) 24.655 2.458 ( -0.000 16.873 22.496) 28.120 3.165 ( 0.000 -4.261 -1.355) 4.471 3.517 ( -0.000 3.012 -0.103) 3.013 3.634 ( -0.000 6.973 1.380) 7.108 3.849 ( -0.000 -0.332 18.774) 18.777 5.079 ( -0.000 11.385 24.489) 27.006 6.649 ( 0.000 -13.721 -21.584) 25.576 6.966 ( 0.000 3.318 -12.387) 12.823 8.497 ( -0.000 -1.194 29.917) 29.941 8.810 ( -0.000 -6.776 2.640) 7.273 9.154 ( 0.000 4.031 -6.721) 7.838 9.366 ( 0.000 -0.190 -12.283) 12.285 9.366 ( 0.000 3.443 -1.088) 3.610 10.779 ( 0.000 -2.446 -7.436) 7.828 11.210 ( -0.000 -4.116 3.310) 5.282 11.374 ( 0.000 -18.037 -2.830) 18.258 11.799 ( -0.000 12.183 0.234) 12.186 11.936 ( -0.000 -1.050 5.753) 5.848 11.978 ( 0.000 -7.095 -0.994) 7.164 12.353 ( 0.000 -2.580 -7.073) 7.529 12.848 ( -0.000 4.965 21.650) 22.212 13.183 ( 0.000 -2.079 -9.611) 9.833 13.563 ( 0.000 16.081 -13.818) 21.202 13.667 ( -0.000 1.407 32.495) 32.526 13.733 ( 0.000 -5.858 -5.289) 7.893 13.997 ( 0.000 0.410 -22.749) 22.753 14.008 ( 0.000 0.670 -27.167) 27.175 14.397 ( -0.000 4.560 12.915) 13.696 15.232 ( -0.000 1.499 1.454) 2.088 15.315 ( -0.000 4.667 5.774) 7.424 16.080 ( 0.000 -5.988 1.063) 6.082 16.138 ( -0.000 -0.949 0.371) 1.019 16.556 ( 0.000 -5.496 -2.405) 5.999 16.762 ( -0.000 8.634 -1.105) 8.704 17.297 ( -0.000 -1.187 6.038) 6.154 18.149 ( 0.000 -3.692 -8.820) 9.562 18.180 ( 0.000 -1.173 -7.752) 7.840 18.851 ( -0.000 0.709 14.025) 14.043 18.957 ( -0.000 6.347 11.678) 13.291 20.980 ( 0.000 -2.998 -8.438) 8.955 22.363 ( -0.000 -5.123 10.200) 11.415======================= Grid point 126 (42/116) =======================q-point: ( 0.30 0.20 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.213 ( -8.901 -1.629 18.967) 21.015 2.869 ( 2.294 9.038 14.486) 17.228 3.093 ( 3.792 -2.355 -3.900) 5.927 3.458 ( -9.470 3.623 0.684) 10.162 3.792 ( 10.232 6.463 0.826) 12.130 4.068 ( 1.124 -1.798 11.173) 11.373 5.550 ( 7.199 13.759 22.488) 27.329 6.203 ( -8.197 -11.522 -17.904) 22.814 6.931 ( 9.913 5.762 -7.944) 13.949 8.446 ( -15.132 -17.431 -5.492) 23.727 8.918 ( -4.639 -1.702 -5.047) 7.063 9.089 ( -0.743 3.199 18.422) 18.712 9.165 ( -0.577 -0.911 -14.640) 14.680 9.571 ( 14.005 10.350 2.862) 17.648 10.654 ( 1.489 -6.933 -6.734) 9.779 11.061 ( -13.673 -11.307 -3.012) 17.996 11.290 ( 4.544 -12.762 0.626) 13.561 11.688 ( -13.880 -3.038 -5.264) 15.152 11.940 ( 5.910 4.360 0.263) 7.350 12.088 ( 9.663 -4.698 -1.074) 10.798 12.327 ( 2.111 4.523 0.362) 5.004 12.955 ( -11.916 8.310 -10.624) 17.997 13.145 ( -0.357 -0.647 13.433) 13.453 13.437 ( 4.013 3.479 -17.520) 18.308 13.608 ( -5.869 -0.323 -4.226) 7.240 13.804 ( 10.917 1.885 -8.168) 13.764 13.901 ( 6.110 8.761 -3.414) 11.214 14.175 ( 0.585 0.571 36.610) 36.619 14.629 ( 1.914 5.523 13.497) 14.709 15.195 ( -5.010 0.220 -0.852) 5.087 15.461 ( 6.969 5.481 1.208) 8.948 16.024 ( -1.287 -9.436 -0.984) 9.574 16.094 ( -2.671 -3.597 -1.508) 4.727 16.522 ( 1.908 -3.248 1.110) 3.927 16.795 ( 2.210 3.639 -4.004) 5.845 17.334 ( -3.460 1.811 2.388) 4.578 17.982 ( 1.129 -3.163 -12.100) 12.558 18.057 ( -1.588 2.078 -8.718) 9.102 19.010 ( -2.718 0.920 10.518) 10.902 19.165 ( 5.994 3.235 6.986) 9.757 20.836 ( -2.320 -2.583 -6.913) 7.736 22.436 ( -4.363 -7.074 10.502) 13.393======================= Grid point 127 (43/116) =======================q-point: ( 0.40 0.20 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.321 ( -12.151 2.029 14.285) 18.864 2.853 ( -3.406 -3.434 -7.791) 9.170 3.265 ( 2.073 3.006 10.760) 11.363 3.394 ( -8.644 3.176 3.191) 9.746 3.957 ( 8.443 4.414 0.288) 9.531 4.135 ( -0.362 -3.367 0.781) 3.475 5.798 ( 0.857 -9.142 -11.532) 14.741 6.081 ( 3.742 15.278 16.752) 22.979 7.059 ( 13.165 7.296 -0.527) 15.061 7.979 ( -22.695 -13.642 -8.972) 27.958 8.732 ( 3.108 -2.296 -13.500) 14.042 8.923 ( 1.910 -0.864 -19.480) 19.592 9.353 ( -9.446 -0.521 20.473) 22.553 9.851 ( 15.784 8.165 0.724) 17.786 10.514 ( 1.092 -18.802 -4.619) 19.392 10.778 ( -10.050 0.425 -6.225) 11.830 11.205 ( -3.465 -14.162 -1.405) 14.647 11.490 ( -4.633 0.376 -3.262) 5.678 12.034 ( 5.060 0.793 -3.136) 6.005 12.074 ( 4.456 -3.224 -4.226) 6.937 12.452 ( 5.989 5.964 3.053) 8.986 12.768 ( -10.299 13.090 -8.008) 18.481 13.128 ( -3.542 -7.338 -1.392) 8.266 13.272 ( -5.695 0.967 -6.527) 8.716 13.633 ( 2.330 0.956 6.467) 6.940 13.938 ( 13.347 6.710 -6.347) 16.231 14.095 ( 6.270 6.145 15.650) 17.944 14.632 ( 0.389 2.206 22.169) 22.282 14.942 ( 1.881 3.500 26.323) 26.621 15.118 ( -3.946 -0.056 -0.859) 4.039 15.560 ( 6.328 4.156 -4.893) 9.014 15.890 ( -3.408 -8.044 -2.802) 9.174 16.023 ( -1.665 -3.914 -0.662) 4.305 16.571 ( 3.182 -1.834 2.870) 4.661 16.733 ( 2.889 -3.430 -9.302) 10.326 17.305 ( -7.329 4.960 -0.596) 8.870 17.804 ( 3.919 -1.983 -15.603) 16.209 17.936 ( -2.229 3.134 -7.434) 8.370 19.094 ( -3.345 -0.542 6.826) 7.621 19.319 ( 5.816 2.000 1.556) 6.344 20.710 ( -2.362 -1.430 -4.515) 5.292 22.456 ( -7.136 -7.497 10.105) 14.465======================= Grid point 128 (44/116) =======================q-point: (-0.50 0.20 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.320 ( -17.784 1.361 9.328) 20.128 2.637 ( -6.977 -5.231 -9.437) 12.849 3.324 ( -11.026 -2.962 4.996) 12.462 3.399 ( -5.151 2.748 7.271) 9.325 4.021 ( 0.373 -1.450 -2.147) 2.618 4.100 ( 3.594 -0.643 -4.333) 5.666 5.650 ( 6.783 -4.640 -7.439) 11.086 6.356 ( -9.717 6.318 9.073) 14.719 7.283 ( 7.039 4.250 1.779) 8.413 7.632 ( -3.739 -0.314 2.424) 4.467 8.597 ( 6.755 0.314 -14.198) 15.726 8.672 ( 6.360 0.522 -22.840) 23.715 9.389 ( -17.709 -5.618 12.076) 22.158 10.038 ( 10.425 -1.232 -3.831) 11.174 10.360 ( 4.415 -11.663 1.699) 12.585 10.710 ( 2.056 7.564 -2.808) 8.326 11.025 ( -4.641 -8.169 -3.443) 10.006 11.447 ( -0.286 -1.769 -0.364) 1.829 11.932 ( 1.162 -6.818 -7.887) 10.490 12.116 ( 4.634 3.289 -3.289) 6.566 12.590 ( -2.486 11.046 -1.410) 11.410 12.660 ( -0.583 6.497 -2.620) 7.030 13.009 ( -5.650 -6.688 -0.145) 8.756 13.163 ( -6.986 -0.993 1.642) 7.244 13.780 ( 1.945 -2.659 11.185) 11.660 13.974 ( 7.733 5.440 -11.817) 15.134 14.524 ( 7.775 3.809 24.338) 25.832 14.825 ( -1.357 4.666 4.875) 6.883 15.026 ( -2.315 -1.255 -1.033) 2.829 15.487 ( 2.667 1.598 33.992) 34.134 15.513 ( 1.109 -0.322 -4.749) 4.887 15.825 ( 1.489 -2.175 0.390) 2.664 15.981 ( -1.389 -0.561 -0.347) 1.537 16.576 ( 3.422 -4.465 -12.931) 14.102 16.628 ( 2.359 -1.017 0.224) 2.578 17.213 ( -6.629 2.055 -3.840) 7.931 17.610 ( 3.762 1.031 -17.862) 18.283 17.841 ( -3.509 1.357 -4.445) 5.824 19.116 ( -3.206 -2.583 3.917) 5.682 19.366 ( 2.019 1.382 -3.668) 4.409 20.649 ( 0.630 0.553 -1.770) 1.958 22.442 ( -8.176 -6.594 8.615) 13.585======================= Grid point 129 (45/116) =======================q-point: (-0.40 0.20 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.138 ( -21.170 -9.863 2.585) 23.498 2.379 ( -18.968 0.446 -0.349) 18.977 3.188 ( -12.605 -3.771 2.858) 13.464 3.476 ( -2.919 2.451 7.619) 8.519 3.913 ( -4.235 -5.565 -8.913) 11.329 4.025 ( -4.947 -3.537 -3.024) 6.792 5.678 ( 11.953 -1.305 -3.170) 12.435 6.116 ( -32.702 -7.418 0.025) 33.533 7.400 ( 6.296 7.463 3.752) 10.460 7.935 ( 15.306 7.590 13.797) 21.959 8.474 ( 13.422 2.966 -21.649) 25.645 8.503 ( 8.951 1.644 -15.340) 17.836 9.241 ( -20.118 -5.600 8.395) 22.507 10.021 ( 5.645 -8.013 -3.277) 10.336 10.528 ( 14.561 0.670 5.942) 15.741 10.778 ( 6.885 8.108 -7.272) 12.885 10.960 ( 1.148 -0.117 6.026) 6.136 11.414 ( 0.015 -3.282 -1.916) 3.800 11.776 ( -1.227 -7.179 -7.264) 10.286 12.121 ( 2.769 2.495 -5.373) 6.539 12.484 ( -9.933 12.754 -7.975) 18.026 12.774 ( 3.513 -0.648 5.372) 6.451 12.894 ( -5.082 -5.295 -0.772) 7.379 13.106 ( -8.017 -2.263 4.006) 9.244 13.903 ( 1.768 1.719 -9.535) 9.849 13.926 ( -0.846 -7.037 12.716) 14.558 14.746 ( -6.238 2.308 -3.962) 7.742 14.975 ( 7.813 5.341 10.403) 14.063 15.040 ( 1.988 -0.912 3.781) 4.368 15.458 ( 2.114 0.620 3.527) 4.158 15.853 ( 4.257 -2.440 -0.817) 4.974 15.975 ( -1.833 4.893 1.882) 5.554 16.027 ( 0.223 -0.071 29.077) 29.078 16.432 ( 6.401 -1.555 -7.941) 10.317 16.630 ( 1.410 0.321 -2.902) 3.242 17.041 ( -1.704 -1.696 -14.917) 15.110 17.465 ( 1.059 1.995 -7.197) 7.543 17.721 ( -6.813 -0.358 -4.705) 8.288 19.094 ( -2.927 -4.463 1.992) 5.697 19.295 ( -3.627 0.895 -5.506) 6.654 20.686 ( 5.676 2.976 -0.536) 6.431 22.401 ( -8.174 -5.163 5.562) 11.153======================= Grid point 130 (46/116) =======================q-point: (-0.30 0.20 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.809 ( -21.831 -20.657 7.690) 31.024 2.181 ( -28.499 5.867 9.566) 30.629 3.088 ( -9.569 -1.497 4.816) 10.816 3.497 ( -19.544 -13.246 -8.055) 24.946 3.576 ( -6.106 0.289 2.101) 6.464 3.901 ( -4.304 -2.506 -3.584) 6.136 5.576 ( -34.437 -12.649 1.919) 36.736 5.860 ( 11.525 3.342 0.181) 12.001 7.557 ( 4.535 7.717 -2.257) 9.231 8.344 ( 10.903 1.456 13.006) 17.034 8.456 ( 14.039 2.986 -10.530) 17.801 8.491 ( 22.378 8.106 -11.363) 26.374 9.078 ( -18.728 -3.013 6.337) 19.999 10.007 ( 9.000 -3.451 -6.389) 11.564 10.739 ( 12.539 4.304 -8.306) 15.644 10.890 ( 12.269 5.753 8.126) 15.800 11.207 ( 9.802 6.246 12.808) 17.296 11.350 ( 0.940 -3.119 -4.281) 5.380 11.600 ( -5.185 -6.908 -5.191) 10.077 12.077 ( 1.934 1.299 -6.647) 7.044 12.334 ( -10.735 10.869 -7.052) 16.826 12.795 ( -8.660 -6.318 6.533) 12.554 12.845 ( 2.738 -2.212 -0.695) 3.588 13.026 ( -8.564 -2.840 1.185) 9.100 13.800 ( -2.270 -0.739 -4.579) 5.164 13.997 ( -2.398 -12.192 9.925) 15.903 14.598 ( -10.713 7.618 -4.717) 13.966 15.073 ( 1.833 -3.295 2.194) 4.362 15.150 ( 7.147 4.359 -2.490) 8.734 15.712 ( 5.354 3.049 17.925) 18.954 15.813 ( 5.535 -1.121 -12.970) 14.146 16.033 ( -0.386 2.486 4.005) 4.729 16.137 ( -1.527 -0.590 -2.000) 2.584 16.568 ( 3.837 0.550 -7.311) 8.275 16.688 ( 5.052 -2.192 10.612) 11.956 16.800 ( 2.628 2.915 -5.849) 7.044 17.452 ( -0.644 -1.073 2.513) 2.808 17.553 ( -8.758 0.496 -3.330) 9.383 19.036 ( -3.681 -5.516 0.429) 6.645 19.160 ( -8.865 0.588 -2.894) 9.344 20.802 ( 10.391 4.613 -1.333) 11.446 22.318 ( -7.893 -3.966 0.982) 8.888======================= Grid point 131 (47/116) =======================q-point: (-0.20 0.20 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.616 ( -18.330 -23.509 23.544) 37.987 1.994 ( -30.664 -2.316 9.805) 32.276 2.854 ( -40.826 -6.691 3.163) 41.491 3.132 ( -2.982 -2.853 4.720) 6.270 3.601 ( -1.533 -2.926 2.361) 4.060 3.798 ( -4.298 1.502 -1.929) 4.945 5.109 ( -36.378 -10.785 7.398) 38.658 6.095 ( 16.806 3.352 4.048) 17.609 7.539 ( 3.400 7.786 -13.437) 15.898 8.390 ( 3.937 -7.783 -5.649) 10.391 8.709 ( 10.528 7.127 8.060) 15.053 8.803 ( 19.385 6.818 3.263) 20.807 8.943 ( -5.307 -1.129 3.159) 6.279 9.976 ( 8.057 2.193 -14.304) 16.563 10.809 ( 15.968 8.891 -11.529) 21.609 11.195 ( 3.910 -1.430 7.980) 9.001 11.271 ( 7.741 -6.346 -6.472) 11.920 11.452 ( -4.973 1.707 2.031) 5.637 11.582 ( 10.885 1.469 14.106) 17.878 12.022 ( 2.620 4.702 -6.187) 8.201 12.195 ( -9.958 10.348 -4.671) 15.102 12.737 ( -13.163 -9.228 8.561) 18.213 12.874 ( -0.076 -1.882 1.469) 2.389 12.904 ( -2.015 0.396 2.304) 3.086 13.718 ( -3.717 -2.643 -0.524) 4.591 13.982 ( -2.270 -14.407 6.369) 15.915 14.478 ( -13.624 12.289 -2.113) 18.469 15.087 ( -1.170 -5.508 3.624) 6.696 15.244 ( 6.739 4.240 0.044) 7.962 15.614 ( 6.519 0.275 -24.337) 25.196 15.926 ( 1.157 2.000 -11.418) 11.649 16.006 ( -0.365 -2.301 -0.740) 2.444 16.089 ( -0.460 -0.976 -1.748) 2.054 16.537 ( 8.462 3.379 0.307) 9.117 16.690 ( 3.917 -1.296 2.335) 4.741 17.009 ( -4.220 0.793 4.486) 6.210 17.477 ( 1.884 1.965 10.953) 11.287 17.571 ( -0.564 0.151 10.195) 10.212 18.928 ( -7.225 -4.843 -1.221) 8.784 19.027 ( -11.518 -0.120 1.635) 11.634 20.950 ( 13.132 4.343 -3.270) 14.213 22.181 ( -7.344 -3.187 -3.004) 8.551======================= Grid point 132 (48/116) =======================q-point: (-0.10 0.20 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.566 ( -33.141 -23.670 4.168) 40.938 1.674 ( -13.958 -16.855 31.872) 38.662 2.633 ( -32.397 10.530 28.509) 44.421 3.218 ( 0.283 0.321 8.975) 8.985 3.550 ( 0.379 -8.980 -1.288) 9.080 3.775 ( -5.532 7.388 1.379) 9.332 4.770 ( -31.609 -6.831 13.264) 34.953 6.423 ( 20.319 0.616 8.216) 21.926 7.425 ( 3.806 12.122 -17.919) 21.966 8.235 ( -8.900 -7.619 -2.519) 11.983 8.773 ( -2.031 -15.583 1.650) 15.801 9.003 ( 7.313 7.119 5.162) 11.437 9.244 ( 19.802 10.809 2.799) 22.732 9.814 ( -1.040 4.205 -16.593) 17.149 10.916 ( 16.203 6.770 -11.416) 20.945 11.122 ( 1.177 -8.372 -4.284) 9.478 11.251 ( -1.459 -0.249 1.543) 2.138 11.639 ( 5.699 8.745 7.887) 13.083 11.732 ( 1.965 -14.587 3.561) 15.143 12.096 ( -10.003 11.107 1.732) 15.047 12.197 ( 15.599 13.763 0.164) 20.804 12.585 ( -16.665 -10.937 7.806) 21.407 12.751 ( -6.737 -1.829 0.411) 6.993 13.222 ( 15.946 5.734 13.778) 21.840 13.646 ( -2.361 -5.090 -0.733) 5.659 13.942 ( -3.836 -9.925 6.247) 12.339 14.354 ( -17.042 11.197 -1.055) 20.418 15.070 ( -2.619 -7.058 3.912) 8.484 15.255 ( 9.049 -3.574 -24.570) 26.426 15.397 ( -2.212 4.130 -4.438) 6.453 15.512 ( -1.043 2.740 -36.661) 36.778 16.010 ( 0.312 -1.276 -1.621) 2.086 16.097 ( 1.974 -0.296 1.588) 2.551 16.739 ( 4.304 -0.209 7.141) 8.341 16.792 ( 3.030 -0.163 5.318) 6.122 16.887 ( -7.452 1.908 -3.517) 8.458 17.765 ( 6.414 -0.011 13.566) 15.006 17.799 ( 7.462 3.380 16.894) 18.775 18.775 ( -10.442 -3.600 -0.298) 11.049 18.911 ( -13.491 0.023 3.441) 13.923 21.077 ( 13.173 2.162 -5.276) 14.354 22.052 ( -4.070 -1.969 -0.770) 4.586======================= Grid point 136 (49/116) =======================q-point: ( 0.30 0.30 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.501 ( -0.000 0.137 15.192) 15.193 2.924 ( 0.000 -3.845 -9.103) 9.882 3.154 ( -0.000 12.086 12.994) 17.745 3.563 ( -0.000 3.555 0.270) 3.565 3.787 ( -0.000 7.446 1.903) 7.685 4.162 ( -0.000 -5.103 6.018) 7.890 5.765 ( 0.000 -7.828 -5.013) 9.296 6.073 ( -0.000 9.252 10.995) 14.370 6.864 ( -0.000 11.600 -1.863) 11.749 8.338 ( 0.000 -16.515 -6.976) 17.928 8.674 ( 0.000 -4.707 -17.418) 18.043 8.913 ( 0.000 -2.537 -20.124) 20.284 9.529 ( -0.000 2.750 26.117) 26.261 9.535 ( 0.000 11.411 -4.330) 12.205 10.484 ( 0.000 -15.941 -4.974) 16.699 10.936 ( 0.000 -13.516 -11.051) 17.459 11.258 ( -0.000 -6.580 5.945) 8.868 11.544 ( 0.000 -17.387 -10.256) 20.186 11.964 ( -0.000 9.673 0.456) 9.683 12.041 ( 0.000 4.319 -3.323) 5.450 12.344 ( -0.000 2.391 2.419) 3.401 12.996 ( 0.000 13.139 -8.230) 15.504 13.121 ( 0.000 -5.249 -3.748) 6.450 13.399 ( -0.000 4.323 1.806) 4.685 13.516 ( 0.000 -1.483 -8.449) 8.579 13.754 ( -0.000 11.308 -1.381) 11.392 14.006 ( -0.000 5.082 19.026) 19.693 14.626 ( -0.000 1.617 22.149) 22.208 14.918 ( -0.000 4.400 28.183) 28.525 15.190 ( 0.000 -1.206 -3.464) 3.668 15.467 ( -0.000 6.137 -0.363) 6.147 15.936 ( 0.000 -12.353 -2.112) 12.533 16.047 ( 0.000 -4.336 -2.238) 4.879 16.528 ( -0.000 -4.067 4.975) 6.426 16.693 ( 0.000 -3.063 -9.020) 9.526 17.417 ( -0.000 8.082 0.481) 8.096 17.738 ( 0.000 -3.110 -17.817) 18.086 17.965 ( 0.000 4.347 -8.844) 9.854 19.182 ( -0.000 1.916 8.435) 8.649 19.194 ( -0.000 -0.611 2.320) 2.399 20.741 ( 0.000 -0.855 -6.702) 6.756 22.550 ( -0.000 -8.782 10.117) 13.397======================= Grid point 137 (50/116) =======================q-point: ( 0.40 0.30 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.647 ( -5.953 1.833 10.343) 12.073 2.751 ( -5.204 -2.595 -7.250) 9.294 3.409 ( 3.197 7.451 8.699) 11.892 3.551 ( -5.897 3.030 2.087) 6.951 3.905 ( 6.157 5.978 0.686) 8.608 4.137 ( -4.571 -6.596 -0.141) 8.027 5.525 ( 3.117 -15.209 -10.529) 18.758 6.443 ( -1.216 19.353 19.052) 27.184 7.027 ( 8.295 13.324 4.773) 16.405 8.024 ( -16.701 -12.036 -6.826) 21.689 8.447 ( 4.982 -2.473 -15.741) 16.695 8.586 ( 0.827 -2.273 -24.319) 24.439 9.577 ( 7.995 6.666 -4.354) 11.283 9.822 ( -2.938 -2.079 14.302) 14.748 10.284 ( 2.275 -26.499 -2.680) 26.731 10.713 ( -0.411 0.468 -10.888) 10.906 11.198 ( -8.668 -10.729 -0.713) 13.811 11.380 ( 5.514 -9.567 -1.142) 11.101 11.966 ( -1.803 -0.314 -6.289) 6.550 12.042 ( 0.338 9.936 -0.821) 9.975 12.457 ( 5.242 3.934 4.955) 8.217 12.886 ( -9.828 14.240 -9.715) 19.844 13.090 ( 0.552 -5.893 0.281) 5.926 13.349 ( -8.286 -0.034 2.985) 8.807 13.585 ( 11.468 0.654 1.910) 11.644 13.802 ( 4.651 10.265 -6.432) 12.976 14.399 ( 2.359 3.722 27.020) 27.377 14.819 ( 0.727 1.704 6.509) 6.767 15.113 ( -3.039 -1.869 -2.217) 4.200 15.431 ( 1.541 2.157 31.899) 32.009 15.507 ( -0.114 4.013 4.557) 6.073 15.805 ( 0.220 -10.201 -3.440) 10.768 16.009 ( -0.653 0.201 -0.044) 0.685 16.518 ( 1.254 -6.384 -11.807) 13.481 16.582 ( 1.119 -4.144 4.852) 6.478 17.373 ( -6.098 2.394 -11.917) 13.599 17.508 ( 4.667 3.054 -14.421) 15.462 17.895 ( -0.997 4.777 -4.543) 6.667 19.172 ( -1.382 -3.378 -0.157) 3.653 19.307 ( 1.871 2.868 3.097) 4.617 20.649 ( -0.182 0.831 -5.864) 5.925 22.595 ( -3.570 -8.658 8.416) 12.591======================= Grid point 138 (51/116) =======================q-point: (-0.50 0.30 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.544 ( -8.189 -5.563 -5.784) 11.466 2.694 ( -12.129 3.631 8.681) 15.351 3.497 ( -7.949 0.465 3.435) 8.672 3.574 ( -3.157 3.071 5.922) 7.380 3.985 ( -5.896 -5.220 -4.123) 8.889 4.011 ( 5.019 3.255 -1.161) 6.094 5.408 ( 9.596 -10.669 -4.284) 14.976 6.720 ( -13.616 12.132 12.658) 22.200 7.315 ( 4.980 10.112 6.410) 12.967 7.736 ( -6.452 0.078 3.535) 7.357 8.246 ( 4.784 -0.728 -25.220) 25.680 8.313 ( 7.142 0.072 -15.429) 17.002 9.662 ( -3.546 -1.394 4.217) 5.684 9.767 ( 4.628 -12.333 -8.146) 15.488 10.230 ( 8.768 -13.632 6.048) 17.300 10.643 ( 4.183 6.825 -7.613) 11.047 11.025 ( -4.909 -6.947 -0.264) 8.510 11.381 ( 1.847 -7.197 1.155) 7.519 11.841 ( -3.509 -2.787 -4.493) 6.345 12.087 ( 0.003 8.358 -2.797) 8.813 12.628 ( 4.891 4.226 4.726) 8.007 12.728 ( -8.319 13.302 -9.677) 18.434 13.032 ( -3.471 -7.218 1.359) 8.124 13.310 ( -8.819 -0.967 5.542) 10.460 13.742 ( 9.655 5.985 -5.069) 12.439 13.861 ( 5.982 -1.493 3.468) 7.074 14.784 ( 1.809 1.459 18.305) 18.451 14.886 ( 1.106 2.066 0.219) 2.353 15.042 ( -2.972 -2.664 0.821) 4.075 15.470 ( -2.464 0.120 2.671) 3.636 15.743 ( 4.534 -4.184 -3.455) 7.071 16.004 ( 1.032 1.363 35.769) 35.809 16.026 ( -1.747 5.999 0.767) 6.295 16.325 ( 2.527 -5.298 -11.042) 12.505 16.607 ( 0.415 -2.567 0.161) 2.605 17.064 ( -0.333 -4.121 -22.706) 23.079 17.446 ( 0.636 5.581 -4.642) 7.287 17.857 ( -3.958 3.272 -1.952) 5.494 19.115 ( 0.387 -5.264 -2.365) 5.784 19.354 ( -1.494 4.262 -0.170) 4.520 20.597 ( 2.047 2.398 -4.688) 5.650 22.578 ( -5.672 -7.212 5.285) 10.589======================= Grid point 139 (52/116) =======================q-point: (-0.40 0.30 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.308 ( -16.460 -9.021 1.763) 18.852 2.666 ( -13.271 2.365 6.924) 15.155 3.398 ( -14.178 -0.949 4.208) 14.819 3.629 ( -3.535 2.508 5.404) 6.927 3.813 ( -4.963 -5.164 -7.184) 10.144 4.020 ( -2.126 -0.973 -1.826) 2.967 5.474 ( 13.789 -5.415 0.658) 14.829 6.532 ( -35.696 -3.862 4.523) 36.188 7.482 ( 0.904 11.820 4.148) 12.559 8.000 ( 14.587 6.629 -1.735) 16.117 8.041 ( 12.185 5.478 -3.395) 13.784 8.207 ( 7.903 0.095 -12.996) 15.211 9.496 ( -12.592 -5.315 0.697) 13.686 9.752 ( 11.102 -9.093 -6.645) 15.815 10.402 ( 14.597 -5.692 5.583) 16.633 10.657 ( 5.862 8.627 -6.574) 12.329 11.024 ( 4.290 -0.402 4.976) 6.582 11.340 ( -0.386 -6.313 -1.674) 6.543 11.733 ( -5.187 -4.449 1.019) 6.909 12.075 ( -1.443 7.037 -5.394) 8.983 12.565 ( -7.578 11.731 -9.608) 16.952 12.770 ( 2.036 1.246 2.297) 3.313 12.974 ( -4.426 -6.145 5.569) 9.400 13.248 ( -9.636 -1.762 2.784) 10.184 13.767 ( 4.900 4.540 -6.990) 9.669 13.988 ( 4.012 -7.830 7.739) 11.717 14.812 ( -6.545 4.180 -3.309) 8.442 14.978 ( 2.960 0.349 2.351) 3.796 15.055 ( 1.569 -3.929 4.544) 6.209 15.610 ( 2.843 1.493 14.026) 14.388 15.687 ( 4.486 -1.682 -11.058) 12.051 16.046 ( -0.789 3.547 -0.602) 3.683 16.165 ( -0.335 0.635 -2.052) 2.174 16.480 ( 2.884 0.048 -2.175) 3.613 16.599 ( 2.255 -0.058 12.616) 12.816 16.745 ( 1.522 -4.306 -11.082) 11.987 17.469 ( -0.249 1.761 2.994) 3.482 17.772 ( -7.963 2.002 -2.311) 8.530 19.057 ( 1.106 -4.624 -1.849) 5.102 19.332 ( -5.137 3.915 -1.034) 6.541 20.605 ( 5.695 4.028 -4.210) 8.147 22.501 ( -6.682 -5.414 0.782) 8.635======================= Grid point 140 (53/116) =======================q-point: (-0.30 0.30 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.106 ( -20.120 -11.836 13.577) 27.005 2.589 ( -16.629 -1.164 6.327) 17.830 3.298 ( -11.911 -1.691 5.391) 13.183 3.547 ( -13.770 -5.483 -6.092) 16.025 3.673 ( -4.286 0.692 3.742) 5.732 3.925 ( -6.330 -0.680 -1.189) 6.477 5.663 ( 13.743 -2.300 4.949) 14.787 6.093 ( -38.123 -6.207 6.038) 39.094 7.478 ( 1.098 6.878 -14.019) 15.654 8.141 ( 11.593 -1.266 -9.759) 15.207 8.211 ( 20.771 13.205 1.835) 24.681 8.443 ( 11.926 3.428 16.312) 20.496 9.333 ( -15.370 -0.647 0.866) 15.408 9.708 ( 12.272 -5.404 -10.325) 16.923 10.519 ( 8.320 4.123 -8.205) 12.391 10.841 ( 16.370 2.552 5.940) 17.600 11.196 ( 9.077 -5.848 0.349) 10.803 11.263 ( 2.480 1.413 0.322) 2.872 11.707 ( -7.786 -2.634 11.057) 13.777 12.009 ( -1.704 5.800 -7.188) 9.392 12.431 ( -7.924 10.548 -7.058) 14.962 12.796 ( 1.153 -0.570 1.749) 2.171 12.976 ( -5.947 -6.005 7.265) 11.145 13.130 ( -10.811 -2.461 0.779) 11.115 13.749 ( 1.562 0.351 -4.016) 4.323 14.043 ( -1.101 -7.934 6.378) 10.239 14.722 ( -6.812 8.534 -3.653) 11.514 15.031 ( 3.898 -2.439 0.663) 4.646 15.131 ( 2.823 -2.284 5.948) 6.969 15.472 ( 4.145 -0.343 -21.398) 21.798 15.863 ( 3.926 0.785 2.896) 4.942 15.996 ( 0.612 -1.091 -12.418) 12.481 16.138 ( -2.416 0.084 -1.461) 2.824 16.333 ( 7.382 2.221 -4.843) 9.105 16.598 ( 3.182 -3.010 -0.850) 4.462 17.031 ( 1.386 1.601 20.929) 21.036 17.512 ( -2.754 -0.875 4.823) 5.623 17.676 ( -7.328 2.618 3.070) 8.366 19.025 ( -0.908 -2.654 0.176) 2.811 19.266 ( -7.772 2.490 0.203) 8.164 20.669 ( 9.295 4.722 -4.623) 11.405 22.360 ( -7.076 -3.913 -3.966) 9.006======================= Grid point 141 (54/116) =======================q-point: (-0.20 0.30 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.051 ( -17.791 -13.286 24.138) 32.798 2.343 ( -26.554 -12.534 1.397) 29.397 3.165 ( -9.330 -6.596 1.203) 11.489 3.398 ( -12.451 6.573 8.933) 16.674 3.626 ( -8.428 -2.615 2.088) 9.068 3.882 ( -3.706 4.664 2.038) 6.296 5.639 ( -35.989 -6.542 11.630) 38.383 5.984 ( 13.911 -0.011 6.895) 15.526 7.326 ( 4.088 9.624 -18.784) 21.498 8.136 ( 12.141 -5.424 -8.113) 15.577 8.646 ( 18.630 12.532 8.292) 23.936 8.817 ( 11.684 2.361 13.623) 18.102 9.096 ( -17.444 -8.393 -0.174) 19.359 9.718 ( 9.975 7.039 -9.946) 15.747 10.531 ( 11.484 9.856 -12.907) 19.890 10.997 ( 9.156 -9.844 -7.281) 15.289 11.204 ( 5.048 -4.862 4.997) 8.607 11.467 ( 9.953 5.267 6.237) 12.873 11.783 ( -7.531 -5.759 11.735) 15.087 11.979 ( 3.346 11.744 -2.390) 12.443 12.335 ( -8.241 10.315 -2.666) 13.469 12.884 ( 1.695 -0.688 2.695) 3.257 12.931 ( -7.469 -6.940 8.638) 13.363 13.006 ( -7.612 -1.836 4.548) 9.056 13.689 ( -0.969 -3.674 -3.737) 5.329 14.060 ( -4.443 -4.308 8.055) 10.158 14.663 ( -7.452 11.304 -2.820) 13.830 14.998 ( 8.374 -5.991 -16.530) 19.474 15.156 ( -2.701 -8.493 -2.213) 9.183 15.352 ( 4.404 7.599 -1.131) 8.856 15.526 ( 0.447 2.136 -33.967) 34.037 16.015 ( 3.175 -1.855 -3.184) 4.864 16.043 ( -1.734 -4.886 -0.476) 5.207 16.567 ( 8.890 2.818 13.239) 16.194 16.677 ( 5.996 0.113 3.886) 7.146 17.112 ( -9.472 0.261 -0.975) 9.526 17.657 ( 3.241 2.588 15.347) 15.898 17.727 ( -2.081 0.247 9.230) 9.465 18.978 ( -5.664 -2.350 0.741) 6.177 19.197 ( -9.406 2.772 2.475) 10.114 20.760 ( 11.809 3.131 -5.115) 13.245 22.181 ( -6.152 -2.614 -5.700) 8.785======================= Grid point 142 (55/116) =======================q-point: (-0.10 0.30 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.846 ( -28.529 -23.781 6.190) 37.653 2.189 ( -14.079 -5.239 26.918) 30.826 3.110 ( -3.917 -0.704 4.513) 6.017 3.430 ( 0.302 -7.359 1.124) 7.450 3.585 ( -15.562 9.710 14.452) 23.352 3.919 ( -3.953 6.933 2.717) 8.431 5.353 ( -34.543 -2.622 15.694) 38.031 6.270 ( 17.328 -4.365 5.532) 18.706 7.230 ( 5.809 16.907 -15.846) 23.889 8.134 ( 9.940 -6.101 -4.925) 12.660 8.753 ( -15.077 -17.888 0.062) 23.395 9.019 ( 12.669 5.537 5.922) 15.041 9.177 ( 12.540 6.495 6.399) 15.504 9.723 ( -2.206 9.737 -5.498) 11.398 10.605 ( 17.389 10.956 -11.986) 23.793 10.926 ( 7.670 -9.583 -4.746) 13.160 11.249 ( 1.384 -3.145 0.513) 3.474 11.659 ( 1.850 -9.014 3.682) 9.911 11.794 ( -0.494 7.237 6.782) 9.931 12.141 ( 6.805 12.352 -1.972) 14.240 12.316 ( -6.625 8.561 3.587) 11.404 12.821 ( -14.730 -11.685 8.728) 20.729 12.895 ( -5.344 0.518 11.751) 12.920 13.204 ( 12.146 0.102 6.501) 13.776 13.576 ( -1.158 -6.143 -4.191) 7.526 14.104 ( -6.539 0.291 9.765) 11.756 14.605 ( -11.703 11.318 -0.785) 16.299 14.702 ( 7.389 -4.652 -29.804) 31.057 14.890 ( 1.268 -4.556 -33.166) 33.502 15.182 ( -2.088 -4.151 -3.830) 6.021 15.494 ( -3.369 3.497 5.415) 7.274 15.933 ( 3.696 0.824 -4.773) 6.093 16.077 ( 3.609 0.925 -0.640) 3.780 16.737 ( 0.809 0.727 -1.575) 1.914 16.876 ( 5.642 -0.392 11.709) 13.003 16.970 ( -7.807 0.113 0.531) 7.826 17.853 ( 3.940 -1.470 9.144) 10.064 17.945 ( 5.346 3.339 11.831) 13.406 18.878 ( -8.672 -2.974 1.065) 9.230 19.141 ( -11.749 4.494 4.288) 13.290 20.850 ( 12.516 -0.128 -5.059) 13.501 22.059 ( -1.742 -1.385 -1.435) 2.648======================= Grid point 147 (56/116) =======================q-point: ( 0.40 -0.60 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.612 ( 0.000 -4.577 -4.699) 6.560 2.896 ( -0.000 2.852 8.524) 8.988 3.536 ( -0.000 7.413 4.882) 8.876 3.621 ( -0.000 1.296 1.207) 1.771 3.922 ( -0.000 6.458 0.299) 6.465 4.118 ( 0.000 -6.109 -1.466) 6.283 5.269 ( 0.000 -16.571 -5.336) 17.409 6.874 ( -0.000 21.234 19.012) 28.502 7.179 ( -0.000 16.903 9.096) 19.195 7.990 ( 0.000 -8.880 -4.054) 9.761 8.182 ( 0.000 -0.887 -14.241) 14.268 8.215 ( 0.000 -2.932 -25.275) 25.445 9.415 ( 0.000 4.341 -10.972) 11.800 10.002 ( 0.000 -30.069 -3.709) 30.297 10.053 ( -0.000 -6.296 13.614) 14.999 10.585 ( 0.000 5.812 -8.929) 10.654 11.101 ( 0.000 -13.019 -5.195) 14.017 11.359 ( -0.000 -4.070 5.854) 7.130 11.895 ( 0.000 -2.335 -3.753) 4.420 12.097 ( 0.000 11.560 -2.970) 11.935 12.549 ( -0.000 5.288 7.628) 9.282 12.868 ( 0.000 12.126 -14.567) 18.954 13.051 ( 0.000 -6.171 1.010) 6.253 13.496 ( -0.000 -3.928 6.679) 7.749 13.556 ( -0.000 6.728 4.404) 8.042 13.736 ( 0.000 6.538 -6.499) 9.219 14.763 ( -0.000 1.412 22.277) 22.322 14.865 ( -0.000 -1.847 2.033) 2.746 15.099 ( 0.000 -3.208 0.566) 3.258 15.520 ( -0.000 3.312 1.473) 3.625 15.669 ( 0.000 -7.646 -4.713) 8.982 15.988 ( -0.000 1.642 36.571) 36.607 16.051 ( -0.000 7.137 1.640) 7.323 16.295 ( 0.000 -6.661 -12.085) 13.799 16.604 ( -0.000 -4.386 2.443) 5.021 17.066 ( 0.000 -5.229 -25.367) 25.900 17.436 ( 0.000 7.451 -5.243) 9.110 17.906 ( -0.000 4.936 -0.734) 4.990 19.107 ( 0.000 -5.194 -3.799) 6.436 19.372 ( -0.000 4.711 2.125) 5.168 20.573 ( 0.000 2.642 -6.588) 7.098 22.651 ( -0.000 -8.180 5.016) 9.595======================= Grid point 149 (57/116) =======================q-point: (-0.50 0.40 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.531 ( -3.146 -4.258 0.358) 5.306 2.954 ( -8.675 0.131 6.466) 10.820 3.607 ( -3.117 2.021 1.576) 4.035 3.653 ( 1.397 1.930 1.890) 3.041 3.974 ( 0.829 4.165 -1.876) 4.643 4.004 ( -6.051 -2.802 -2.105) 6.993 5.186 ( 8.037 -12.823 1.536) 15.211 7.180 ( -13.967 14.537 14.059) 24.578 7.479 ( 2.391 16.041 9.982) 19.044 7.847 ( 1.233 -1.213 -25.165) 25.225 7.869 ( -3.473 0.000 5.319) 6.353 8.046 ( 5.007 0.258 -11.810) 12.830 9.349 ( 12.918 -6.492 -12.401) 19.048 9.771 ( -3.898 -13.392 1.648) 14.045 10.166 ( 3.541 -11.226 8.111) 14.295 10.556 ( 2.519 8.539 -5.655) 10.547 10.975 ( 0.706 -8.881 -1.117) 8.979 11.379 ( -1.958 -3.739 1.561) 4.501 11.840 ( -2.921 -3.316 2.034) 4.864 12.116 ( -1.270 10.412 -4.505) 11.415 12.658 ( -0.111 6.167 -6.112) 8.683 12.772 ( -2.054 9.170 0.159) 9.398 13.014 ( 0.485 -5.320 -0.235) 5.347 13.484 ( -8.818 -2.594 3.912) 9.990 13.629 ( 4.278 8.063 -6.340) 11.113 13.820 ( 7.927 -1.268 6.999) 10.650 14.872 ( 0.245 -2.044 0.844) 2.225 14.977 ( -0.758 -2.542 9.035) 9.417 15.075 ( -2.417 -3.871 1.100) 4.695 15.571 ( 0.354 -0.390 3.181) 3.224 15.599 ( 2.535 -0.758 -2.690) 3.773 16.081 ( -2.126 4.829 -4.011) 6.627 16.141 ( 2.135 1.592 -4.278) 5.040 16.437 ( 0.795 0.256 3.935) 4.022 16.569 ( 0.469 0.582 7.670) 7.707 16.728 ( 0.072 -9.816 -8.412) 12.927 17.458 ( 0.734 4.671 2.154) 5.196 17.909 ( -2.975 3.248 -1.063) 4.532 19.028 ( 0.735 -4.287 -2.538) 5.036 19.412 ( -1.578 5.391 -0.232) 5.622 20.516 ( 1.781 4.431 -6.409) 7.993 22.620 ( -2.692 -6.715 0.547) 7.255======================= Grid point 150 (58/116) =======================q-point: (-0.40 0.40 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.484 ( -8.920 -4.097 7.637) 12.437 2.893 ( -10.998 -4.068 5.162) 12.812 3.577 ( -7.021 0.231 2.415) 7.428 3.675 ( 0.188 -1.429 -2.741) 3.096 3.833 ( -10.023 0.080 -0.702) 10.048 4.006 ( 0.677 2.048 -2.149) 3.045 5.310 ( 13.124 -6.870 6.755) 16.281 7.016 ( -33.873 -3.544 5.542) 34.506 7.497 ( -1.683 1.758 -20.083) 20.230 7.812 ( 9.646 19.433 8.631) 23.349 7.952 ( 4.492 -1.132 -9.218) 10.317 8.166 ( 10.748 7.983 15.962) 20.834 9.266 ( 13.775 -3.960 -13.756) 19.866 9.728 ( -6.425 -5.264 3.416) 8.981 10.268 ( 11.072 -10.336 5.854) 16.239 10.592 ( 3.645 11.014 -3.547) 12.131 10.980 ( 5.892 -5.283 3.042) 8.478 11.302 ( -3.287 -3.729 -3.071) 5.843 11.853 ( -4.302 -1.513 8.854) 9.959 12.083 ( -3.601 7.414 -5.108) 9.696 12.548 ( -1.390 7.421 -10.372) 12.829 12.822 ( -3.329 2.167 1.149) 4.135 13.037 ( 1.096 -1.719 5.469) 5.836 13.383 ( -9.289 -1.315 0.663) 9.405 13.649 ( 5.206 2.601 -4.836) 7.567 13.994 ( 4.657 -2.194 7.658) 9.227 14.835 ( -3.149 1.973 -4.973) 6.208 14.995 ( 0.591 -6.555 -0.857) 6.638 15.060 ( 1.707 -3.064 4.158) 5.440 15.445 ( -1.704 -0.319 -11.025) 11.160 15.750 ( 4.895 -1.026 7.545) 9.052 15.985 ( 0.383 1.991 -22.808) 22.898 16.146 ( 2.207 2.692 1.390) 3.748 16.218 ( 1.654 2.357 -9.189) 9.630 16.557 ( 0.086 -8.246 -3.036) 8.787 16.993 ( 1.209 1.747 26.663) 26.748 17.558 ( -0.782 1.263 7.546) 7.691 17.852 ( -5.818 2.585 -1.376) 6.514 19.009 ( 1.241 -1.465 1.112) 2.219 19.402 ( -3.464 3.775 -1.236) 5.270 20.505 ( 4.206 6.419 -5.948) 9.710 22.508 ( -4.618 -4.993 -4.138) 7.961======================= Grid point 151 (59/116) =======================q-point: (-0.30 0.40 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.471 ( -14.346 -4.435 15.484) 21.569 2.779 ( -10.919 -9.272 3.325) 14.706 3.448 ( -13.564 -7.697 -2.489) 15.793 3.560 ( -3.557 -1.240 -2.092) 4.309 3.807 ( -3.905 5.161 3.489) 7.353 3.977 ( -2.617 2.252 -1.215) 3.660 5.570 ( 14.461 -2.495 10.271) 17.912 6.617 ( -36.834 -7.078 6.830) 38.124 7.242 ( 2.540 5.315 -20.147) 20.991 7.872 ( 7.520 -5.267 -8.312) 12.384 8.252 ( 11.532 20.679 12.801) 26.917 8.551 ( 10.313 2.022 14.656) 18.034 9.324 ( 15.753 14.058 -9.126) 23.002 9.550 ( -13.403 -10.750 -1.920) 17.288 10.360 ( 6.436 -1.393 -4.359) 7.897 10.739 ( 9.083 3.290 1.768) 9.821 11.076 ( 6.211 -6.657 3.778) 9.857 11.251 ( 4.111 2.597 1.401) 5.061 11.943 ( -0.550 7.077 2.014) 7.378 12.008 ( -8.457 -2.750 5.591) 10.505 12.468 ( -1.933 7.953 -5.794) 10.028 12.813 ( 0.246 0.858 1.042) 1.372 13.081 ( -4.659 -1.533 4.608) 6.730 13.278 ( -10.194 -4.460 4.240) 11.908 13.655 ( 4.167 0.657 -4.335) 6.049 14.113 ( 0.347 -1.886 7.602) 7.840 14.691 ( 3.120 0.853 -16.529) 16.842 14.909 ( -0.728 -2.925 -5.103) 5.927 15.185 ( 3.975 -1.551 7.336) 8.486 15.296 ( -4.319 -0.161 -4.244) 6.057 15.501 ( 1.299 2.520 -34.237) 34.354 15.917 ( 4.579 -3.620 1.400) 6.003 16.105 ( -2.148 -5.849 -5.628) 8.396 16.358 ( 7.112 4.502 12.115) 14.751 16.529 ( 5.374 0.019 -0.299) 5.382 17.290 ( -4.384 0.479 12.700) 13.444 17.640 ( -1.721 0.826 8.538) 8.748 17.821 ( -4.457 2.302 4.714) 6.884 19.049 ( -0.563 -0.280 3.458) 3.515 19.360 ( -4.099 2.288 -0.472) 4.718 20.537 ( 6.149 6.853 -5.640) 10.797 22.332 ( -5.742 -3.319 -7.291) 9.856======================= Grid point 152 (60/116) =======================q-point: (-0.20 0.40 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.451 ( -19.260 -17.853 10.407) 28.248 2.580 ( -15.278 -4.292 9.263) 18.375 3.218 ( -7.331 -5.983 -1.976) 9.666 3.472 ( -3.868 -7.282 -0.995) 8.306 3.868 ( -5.070 10.504 5.417) 12.860 3.976 ( -1.506 4.415 1.533) 4.911 5.879 ( 12.474 -2.112 11.078) 16.816 6.245 ( -33.701 -6.222 9.295) 35.509 7.088 ( 5.253 12.025 -16.908) 21.403 7.828 ( 11.140 -8.409 -7.582) 15.884 8.693 ( 11.845 16.135 9.251) 22.050 8.858 ( 10.646 1.185 9.653) 14.420 9.215 ( -16.894 -11.156 -3.220) 20.499 9.589 ( 13.519 18.356 -0.126) 22.798 10.324 ( 4.696 6.065 -11.052) 13.453 10.760 ( 4.232 -7.958 -4.351) 10.009 11.172 ( 4.605 -4.417 4.549) 7.836 11.484 ( 11.118 5.609 9.003) 15.366 11.886 ( -3.534 4.317 -4.799) 7.359 12.074 ( -2.997 0.182 7.499) 8.078 12.453 ( -3.244 7.947 -0.285) 8.588 12.898 ( 4.913 1.039 5.714) 7.607 13.092 ( -4.695 1.097 8.356) 9.647 13.165 ( -11.918 -11.269 6.552) 17.663 13.626 ( -1.053 -1.704 -2.698) 3.360 14.197 ( -0.648 -0.681 5.765) 5.841 14.481 ( 7.925 -2.159 -21.567) 23.078 14.795 ( -0.441 0.982 -17.243) 17.276 14.910 ( -5.016 0.970 -22.050) 22.634 15.251 ( -3.917 -4.693 -0.660) 6.148 15.467 ( 5.319 4.886 10.528) 12.767 15.866 ( 1.659 -0.799 -9.617) 9.792 16.010 ( 1.360 -3.286 -1.441) 3.837 16.604 ( 7.947 2.391 2.473) 8.659 16.707 ( 8.103 0.479 13.732) 15.952 17.223 ( -11.782 0.383 -2.496) 12.049 17.823 ( 2.178 1.183 10.582) 10.869 17.877 ( -1.912 1.555 7.741) 8.124 19.045 ( -4.899 -3.065 1.889) 6.080 19.343 ( -4.233 4.265 1.986) 6.329 20.589 ( 7.852 4.266 -4.890) 10.187 22.146 ( -4.847 -1.761 -6.449) 8.257======================= Grid point 153 (61/116) =======================q-point: (-0.10 0.40 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.075 ( -22.372 -22.114 4.201) 31.737 2.652 ( -11.028 -0.914 19.567) 22.480 3.116 ( -0.051 -3.584 -2.865) 4.589 3.351 ( -1.847 -11.405 -0.875) 11.587 3.978 ( -5.745 12.120 7.528) 15.381 4.025 ( -0.749 5.172 1.814) 5.532 5.952 ( -29.513 -2.778 13.497) 32.571 6.117 ( 8.871 -4.411 1.332) 9.996 7.102 ( 7.945 18.726 -7.859) 21.807 7.818 ( 15.214 -9.793 -7.430) 19.559 8.817 ( -11.697 -16.347 -0.709) 20.113 9.007 ( 5.636 8.409 4.177) 10.951 9.159 ( 8.582 4.858 3.199) 10.367 9.844 ( -1.478 12.531 6.832) 14.349 10.328 ( 14.704 12.600 -11.680) 22.614 10.719 ( 7.025 -6.595 -2.525) 9.961 11.210 ( 0.943 -3.555 0.154) 3.681 11.640 ( -1.705 -8.245 2.154) 8.691 11.925 ( 3.572 11.610 4.389) 12.916 12.123 ( 2.724 7.270 -2.255) 8.084 12.468 ( -4.045 5.677 1.382) 7.106 12.987 ( -8.898 -13.128 6.175) 17.019 13.091 ( 4.866 -0.683 3.305) 5.922 13.270 ( -3.254 0.732 23.189) 23.427 13.537 ( -5.456 -4.501 0.529) 7.092 14.155 ( 7.508 -2.933 -18.509) 20.188 14.309 ( 1.066 -1.547 -35.985) 36.034 14.369 ( -2.711 2.266 0.846) 3.633 14.790 ( -7.937 5.811 -1.292) 9.921 15.155 ( -2.787 -10.150 0.751) 10.552 15.659 ( -3.515 3.324 8.266) 9.577 15.832 ( 6.684 7.157 -3.626) 10.442 15.996 ( 4.511 0.828 -4.763) 6.612 16.707 ( 2.926 4.288 -1.670) 5.453 16.937 ( 2.259 -1.113 5.042) 5.636 17.075 ( -5.320 -3.079 3.261) 6.958 17.906 ( 0.907 -1.946 4.557) 5.038 18.041 ( 3.375 3.717 6.005) 7.827 18.961 ( -6.312 -4.487 1.039) 7.814 19.352 ( -6.791 6.017 3.226) 9.630 20.652 ( 9.215 0.016 -3.402) 9.822 22.043 ( -0.554 -1.017 -1.170) 1.647======================= Grid point 159 (62/116) =======================q-point: (-0.50 0.50 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.575 ( 0.000 -3.060 6.736) 7.398 3.062 ( 0.000 -4.281 3.492) 5.525 3.638 ( 0.000 1.994 -2.354) 3.085 3.667 ( 0.000 -0.713 1.978) 2.103 3.973 ( 0.000 4.738 -2.244) 5.242 4.001 ( 0.000 -0.110 -3.072) 3.074 5.121 ( 0.000 -10.415 8.922) 13.714 7.489 ( 0.000 1.152 -22.685) 22.714 7.532 ( 0.000 4.983 4.179) 6.504 7.740 ( 0.000 14.490 6.396) 15.839 7.940 ( -0.000 -0.877 10.075) 10.113 7.948 ( 0.000 8.001 2.102) 8.272 9.046 ( 0.000 -3.241 -13.511) 13.894 9.757 ( 0.000 -7.984 7.005) 10.621 10.157 ( 0.000 -11.780 3.826) 12.386 10.555 ( 0.000 11.047 -2.410) 11.307 10.912 ( 0.000 -6.768 1.926) 7.036 11.359 ( 0.000 -4.234 -2.669) 5.005 11.911 ( 0.000 -0.688 6.452) 6.489 12.138 ( 0.000 7.874 -2.416) 8.236 12.547 ( 0.000 4.973 -12.610) 13.555 12.933 ( -0.000 8.416 9.123) 12.412 12.946 ( 0.000 -2.729 -3.533) 4.464 13.526 ( 0.000 6.021 -8.562) 10.467 13.573 ( 0.000 -6.053 2.639) 6.604 13.904 ( 0.000 2.121 10.173) 10.392 14.888 ( 0.000 -3.439 4.070) 5.329 14.955 ( 0.000 -7.594 -10.838) 13.234 15.064 ( 0.000 -1.956 1.312) 2.355 15.494 ( 0.000 -0.039 -3.833) 3.834 15.668 ( 0.000 -2.175 7.230) 7.550 15.979 ( 0.000 4.053 -30.462) 30.731 16.108 ( 0.000 1.944 4.875) 5.249 16.201 ( 0.000 4.379 -10.352) 11.240 16.565 ( 0.000 -11.073 -2.989) 11.469 16.979 ( 0.000 1.519 28.014) 28.055 17.562 ( 0.000 2.783 9.064) 9.482 17.927 ( 0.000 2.399 -2.047) 3.154 18.992 ( 0.000 -1.128 1.095) 1.572 19.443 ( 0.000 4.145 -1.973) 4.590 20.455 ( 0.000 7.337 -6.212) 9.614 22.567 ( 0.000 -5.456 -4.146) 6.853======================= Grid point 161 (63/116) =======================q-point: (-0.40 0.50 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.668 ( -2.733 -2.219 11.385) 11.916 3.006 ( -6.575 -8.723 1.633) 11.045 3.588 ( 0.234 -1.193 -6.032) 6.154 3.670 ( -3.273 -1.989 1.852) 4.255 3.929 ( -5.244 2.643 -1.911) 6.176 3.976 ( 1.229 3.090 -2.908) 4.418 5.281 ( 7.487 -5.035 14.269) 16.882 7.203 ( 0.754 2.453 -20.520) 20.680 7.333 ( -16.773 -13.391 -4.423) 21.914 7.798 ( -2.419 1.826 -2.325) 3.820 8.132 ( -1.035 18.623 15.179) 24.048 8.299 ( 10.253 5.638 14.701) 18.789 8.965 ( 9.587 14.005 -10.072) 19.735 9.800 ( -4.629 -5.443 3.267) 7.857 10.135 ( 7.445 -12.596 1.881) 14.752 10.644 ( 0.632 13.790 2.501) 14.029 10.946 ( 3.052 -4.210 5.568) 7.619 11.260 ( -2.066 -4.196 -4.017) 6.165 11.965 ( -1.116 7.167 -2.642) 7.719 12.181 ( -4.721 -2.098 10.452) 11.659 12.435 ( 3.028 3.731 -8.968) 10.174 12.861 ( -2.646 1.137 -3.416) 4.468 13.135 ( 0.196 5.130 9.479) 10.780 13.451 ( -2.553 2.634 -2.583) 4.486 13.551 ( 1.552 -4.540 -1.594) 5.056 14.067 ( 2.172 1.162 8.321) 8.678 14.644 ( 0.505 -6.539 -22.853) 23.776 14.922 ( 0.125 -3.807 1.475) 4.084 15.101 ( 1.620 -0.155 5.029) 5.286 15.438 ( -4.786 -1.200 -8.408) 9.748 15.475 ( 0.424 2.500 -27.237) 27.355 15.799 ( 4.170 -6.052 5.003) 8.891 16.124 ( 0.212 -1.294 -6.481) 6.612 16.245 ( 2.253 5.954 8.480) 10.604 16.447 ( 1.233 -4.342 -4.293) 6.229 17.342 ( -0.652 1.635 21.890) 21.961 17.695 ( -1.608 0.064 7.091) 7.271 17.907 ( -2.057 2.791 0.476) 3.500 19.039 ( 0.673 1.579 4.203) 4.540 19.415 ( -0.849 0.624 -3.332) 3.495 20.450 ( 1.437 10.232 -4.960) 11.462 22.436 ( -2.379 -3.742 -7.536) 8.743======================= Grid point 162 (64/116) =======================q-point: (-0.30 0.50 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.780 ( -3.983 -2.543 11.772) 12.686 2.839 ( -10.889 -14.242 1.893) 18.027 3.425 ( -5.465 -5.432 -9.410) 12.162 3.607 ( -6.654 -4.042 1.107) 7.864 3.904 ( -1.032 5.772 0.127) 5.865 3.976 ( 1.750 2.997 -2.085) 4.049 5.591 ( 9.746 -0.945 16.721) 19.378 6.908 ( -13.569 -15.792 -7.874) 22.260 7.013 ( -1.891 4.765 -14.087) 14.991 7.725 ( -4.557 -2.083 -1.021) 5.113 8.489 ( 5.116 17.185 11.775) 21.451 8.603 ( 8.786 4.834 9.622) 13.898 9.209 ( 13.741 29.020 -0.104) 32.109 9.599 ( -13.238 -9.512 -5.568) 17.226 10.181 ( 9.725 -7.902 -3.380) 12.979 10.776 ( -4.147 5.829 3.189) 7.832 11.059 ( 3.987 -2.752 7.251) 8.721 11.240 ( 6.399 3.076 3.618) 7.968 11.921 ( -0.874 9.632 -8.727) 13.027 12.227 ( -6.601 -8.750 9.081) 14.234 12.449 ( 3.201 3.675 0.328) 4.884 12.836 ( 0.076 3.703 1.441) 3.974 13.231 ( -5.816 2.041 7.642) 9.818 13.408 ( -7.593 -7.656 4.285) 11.603 13.567 ( 5.683 3.273 0.452) 6.573 14.176 ( 1.342 -3.722 1.246) 4.148 14.314 ( 5.381 -2.150 -19.467) 20.311 14.764 ( 1.639 -2.790 -29.224) 29.403 15.038 ( -4.491 0.584 -8.506) 9.636 15.297 ( 6.134 6.152 6.784) 11.022 15.392 ( -6.114 -6.619 3.064) 9.517 15.817 ( 2.771 0.347 -5.799) 6.436 16.001 ( -0.125 -9.696 -3.268) 10.232 16.436 ( 4.672 4.614 2.616) 7.068 16.512 ( 7.102 3.092 10.186) 12.796 17.493 ( -9.387 0.144 3.051) 9.871 17.763 ( 2.268 1.195 8.065) 8.463 17.952 ( -2.755 2.046 5.400) 6.398 19.114 ( -0.799 -0.341 4.209) 4.298 19.364 ( 1.117 -0.406 -2.772) 3.016 20.483 ( 1.429 10.570 -3.820) 11.329 22.263 ( -4.062 -1.876 -8.230) 9.368======================= Grid point 163 (65/116) =======================q-point: (-0.20 0.50 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.542 ( -13.953 -22.919 -2.001) 26.906 2.886 ( -7.039 -1.224 13.075) 14.900 3.176 ( -4.928 -5.437 -9.534) 12.031 3.477 ( -7.982 -8.564 -0.271) 11.710 3.979 ( 3.417 7.846 0.849) 8.600 4.011 ( 2.522 4.430 -0.624) 5.135 5.913 ( 6.508 -0.749 13.430) 14.943 6.538 ( -13.118 -17.560 -3.315) 22.168 6.925 ( 6.141 14.613 -11.325) 19.481 7.642 ( -4.175 -3.377 -0.171) 5.372 8.765 ( 7.493 8.001 4.134) 11.715 8.907 ( 7.311 13.028 8.511) 17.193 9.248 ( -12.592 -11.496 -6.869) 18.382 9.641 ( 12.770 29.209 5.493) 32.348 10.152 ( 5.694 -3.587 -7.519) 10.091 10.701 ( -7.015 -2.187 -1.052) 7.423 11.169 ( 2.360 -2.430 4.623) 5.732 11.524 ( 10.532 5.960 10.125) 15.778 11.872 ( 0.367 10.031 -6.604) 12.015 12.160 ( -4.575 -7.363 1.183) 8.749 12.497 ( 1.551 3.317 -1.297) 3.885 12.958 ( 2.141 3.535 7.213) 8.313 13.233 ( -8.769 -9.186 1.105) 12.748 13.389 ( -5.275 -1.508 20.701) 21.416 13.664 ( -2.923 0.096 6.288) 6.935 13.976 ( 6.220 -6.344 -18.074) 20.140 14.253 ( 2.458 -1.514 -37.821) 37.932 14.358 ( 4.425 3.781 1.632) 6.045 14.937 ( -4.319 -2.795 -1.369) 5.324 15.268 ( -7.024 -8.658 -0.164) 11.150 15.556 ( 8.755 8.110 7.426) 14.056 15.783 ( -0.472 3.864 -0.807) 3.975 15.916 ( 2.493 -3.482 -5.334) 6.840 16.567 ( 5.964 4.564 2.500) 7.916 16.793 ( 7.984 -0.464 12.274) 14.649 17.310 ( -11.461 -0.026 -6.645) 13.249 17.918 ( 0.941 0.082 5.673) 5.752 17.993 ( -0.946 2.823 3.647) 4.708 19.090 ( -4.169 -5.920 0.550) 7.262 19.388 ( 3.555 2.588 -0.052) 4.398 20.522 ( 1.250 7.796 -2.260) 8.212 22.106 ( -3.779 -0.568 -5.397) 6.613======================= Grid point 164 (66/116) =======================q-point: (-0.10 -0.50 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 255Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.168 ( -14.179 -24.559 0.000) 28.359 2.933 ( -2.304 -3.991 -0.000) 4.608 3.009 ( -1.558 -2.698 0.000) 3.115 3.313 ( -6.078 -10.527 0.000) 12.155 4.057 ( 1.821 3.154 0.000) 3.642 4.106 ( 4.869 8.434 0.000) 9.738 6.045 ( -0.013 -0.022 0.000) 0.026 6.270 ( -8.210 -14.220 0.000) 16.420 7.079 ( 10.745 18.611 0.000) 21.490 7.578 ( -1.979 -3.428 0.000) 3.959 8.811 ( -6.348 -10.994 -0.000) 12.695 9.062 ( 1.054 1.826 -0.000) 2.109 9.134 ( 5.329 9.230 0.000) 10.658 10.061 ( 14.031 24.303 0.000) 28.062 10.099 ( -0.069 -0.119 0.000) 0.138 10.628 ( -0.181 -0.313 0.000) 0.362 11.192 ( -1.390 -2.408 -0.000) 2.780 11.637 ( -4.046 -7.009 0.000) 8.093 11.976 ( 8.297 14.372 0.000) 16.595 12.117 ( 1.144 1.981 -0.000) 2.287 12.524 ( 1.534 2.657 0.000) 3.068 13.033 ( -8.405 -14.558 -0.000) 16.810 13.057 ( 1.095 1.897 -0.000) 2.191 13.616 ( -4.856 -8.411 -0.000) 9.713 13.741 ( 0.429 0.743 0.000) 0.858 13.755 ( -0.760 -1.316 -0.000) 1.520 13.885 ( 1.297 2.247 0.000) 2.594 14.462 ( 1.947 3.372 0.000) 3.893 14.845 ( -2.686 -4.652 -0.000) 5.371 15.138 ( -4.050 -7.014 0.000) 8.099 15.786 ( 6.579 11.395 0.000) 13.157 15.816 ( 0.082 0.142 0.000) 0.164 15.877 ( 1.667 2.887 -0.000) 3.333 16.690 ( 3.721 6.445 0.000) 7.442 16.953 ( -0.318 -0.550 0.000) 0.635 17.122 ( -3.034 -5.256 -0.000) 6.069 17.926 ( -0.969 -1.678 0.000) 1.937 18.076 ( 2.345 4.061 -0.000) 4.690 18.991 ( -3.674 -6.364 0.000) 7.348 19.444 ( 1.681 2.912 0.000) 3.362 20.565 ( 1.977 3.425 0.000) 3.955 22.034 ( -0.433 -0.750 0.000) 0.866======================= Grid point 172 (67/116) =======================q-point: (-0.40 -0.40 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.814 ( -0.000 -5.692 9.017) 10.664 2.987 ( 0.000 -9.668 1.538) 9.790 3.465 ( 0.000 -3.570 -9.166) 9.837 3.704 ( -0.000 -1.938 1.651) 2.546 3.938 ( 0.000 3.962 -4.015) 5.641 3.942 ( 0.000 1.368 -3.000) 3.298 5.460 ( -0.000 -0.781 20.343) 20.358 6.959 ( 0.000 4.596 -17.516) 18.109 7.112 ( 0.000 -27.137 -14.144) 30.602 7.879 ( -0.000 5.311 1.605) 5.548 8.377 ( -0.000 7.171 8.377) 11.027 8.537 ( -0.000 14.255 15.863) 21.327 9.014 ( -0.000 33.489 1.135) 33.509 9.845 ( 0.000 -3.325 -0.808) 3.422 9.946 ( 0.000 -16.127 -5.035) 16.895 10.835 ( -0.000 15.181 9.231) 17.767 11.008 ( -0.000 -1.717 9.099) 9.260 11.184 ( 0.000 -4.573 -3.421) 5.711 11.944 ( 0.000 8.739 -8.484) 12.180 12.310 ( 0.000 0.755 -5.979) 6.027 12.387 ( -0.000 -7.552 14.925) 16.727 12.845 ( 0.000 4.340 -1.158) 4.492 13.344 ( -0.000 6.024 12.142) 13.554 13.436 ( -0.000 3.271 -0.730) 3.352 13.510 ( -0.000 -6.225 1.726) 6.460 14.151 ( -0.000 -1.607 3.986) 4.298 14.250 ( 0.000 -6.253 -23.629) 24.443 14.740 ( 0.000 -3.230 -30.567) 30.738 15.117 ( 0.000 -1.792 -7.949) 8.148 15.191 ( -0.000 3.536 8.687) 9.379 15.496 ( -0.000 -2.294 2.017) 3.055 15.766 ( 0.000 -1.125 -2.235) 2.502 16.001 ( 0.000 -11.911 -4.409) 12.701 16.398 ( -0.000 1.336 1.248) 1.828 16.399 ( -0.000 8.867 8.610) 12.359 17.632 ( -0.000 2.190 16.513) 16.658 17.719 ( 0.000 -1.571 -4.200) 4.484 17.987 ( -0.000 2.826 5.482) 6.168 19.112 ( -0.000 2.646 4.210) 4.972 19.346 ( 0.000 -3.961 -4.824) 6.241 20.474 ( -0.000 13.085 -2.831) 13.388 22.316 ( 0.000 -1.829 -8.548) 8.742======================= Grid point 173 (68/116) =======================q-point: (-0.30 -0.40 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.735 ( -2.943 -18.775 -3.536) 19.330 3.016 ( -3.505 -3.234 10.108) 11.177 3.271 ( -1.565 -6.310 -12.591) 14.170 3.667 ( -5.675 -3.571 0.282) 6.711 3.902 ( 1.393 4.265 -5.246) 6.903 3.931 ( 3.206 0.897 -1.978) 3.872 5.795 ( 2.758 2.469 22.604) 22.905 6.667 ( -1.549 -28.979 -15.754) 33.020 6.799 ( 3.614 6.419 -15.387) 17.060 7.895 ( -9.304 7.074 3.453) 12.187 8.571 ( 6.131 11.683 4.472) 13.931 8.829 ( -0.286 14.989 12.022) 19.216 9.379 ( 4.483 34.084 7.230) 35.130 9.583 ( -11.942 -9.821 -8.966) 17.873 9.909 ( 13.153 -9.676 -6.465) 17.562 10.957 ( -10.143 3.511 3.070) 11.163 11.121 ( 0.851 -0.723 5.153) 5.273 11.268 ( 8.874 6.544 11.776) 16.133 11.872 ( -0.413 8.586 -9.143) 12.549 12.254 ( -1.352 -4.302 -1.037) 4.627 12.435 ( 1.680 -6.156 -0.913) 6.446 12.951 ( -0.460 6.221 9.338) 11.229 13.410 ( -5.109 -4.530 3.099) 7.498 13.503 ( -3.113 -0.182 12.469) 12.853 13.649 ( 2.615 5.228 13.966) 15.140 13.880 ( 1.937 -9.917 -19.595) 22.047 14.198 ( 1.895 -0.899 -14.718) 14.867 14.235 ( 3.271 -0.474 -23.086) 23.322 15.001 ( -1.117 -8.179 -5.704) 10.034 15.397 ( 3.309 6.896 11.056) 13.444 15.459 ( -6.283 -4.154 0.922) 7.588 15.755 ( 2.052 1.389 -0.743) 2.587 15.863 ( 1.594 -6.273 -5.545) 8.523 16.476 ( 1.371 0.662 6.630) 6.802 16.619 ( 4.806 7.266 9.759) 13.082 17.554 ( -6.946 -1.557 -9.134) 11.580 17.855 ( 2.808 2.547 8.767) 9.552 18.047 ( -1.784 2.114 1.437) 3.117 19.161 ( -1.640 -2.637 1.363) 3.392 19.265 ( 4.179 -3.429 -3.760) 6.585 20.537 ( -1.075 13.190 -0.973) 13.269 22.186 ( -2.084 -0.034 -6.923) 7.230======================= Grid point 174 (69/116) =======================q-point: (-0.20 -0.40 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.447 ( -7.477 -26.278 -5.003) 27.775 2.958 ( -2.821 -9.283 -13.784) 16.856 3.106 ( -2.950 -1.650 4.400) 5.548 3.527 ( -9.757 -6.754 -0.826) 11.895 3.913 ( 8.445 4.294 -6.111) 11.274 3.971 ( 5.176 1.249 -1.297) 5.480 6.095 ( -3.030 1.791 13.980) 14.416 6.253 ( 4.329 -29.306 -15.243) 33.315 6.796 ( 10.705 15.406 -5.604) 19.579 7.863 ( -14.469 7.734 5.616) 17.340 8.800 ( 6.150 13.366 3.456) 15.114 9.060 ( 0.260 13.162 5.480) 14.260 9.179 ( -10.851 -16.750 -8.364) 21.639 9.758 ( 8.764 23.796 -6.590) 26.201 9.979 ( 10.173 3.437 7.073) 12.858 10.833 ( -13.354 0.331 1.174) 13.410 11.204 ( 0.633 -0.773 4.201) 4.319 11.597 ( 7.209 5.987 10.133) 13.802 11.832 ( 2.865 10.813 -7.457) 13.444 12.138 ( -3.650 -8.469 -2.259) 9.495 12.426 ( 5.946 -0.421 -3.235) 6.783 13.080 ( -2.049 5.115 4.364) 7.029 13.254 ( -9.071 -10.115 -4.019) 14.168 13.608 ( 3.576 -8.141 -17.519) 19.647 13.710 ( -0.274 -2.357 -21.813) 21.941 13.815 ( -1.902 1.297 30.573) 30.660 13.929 ( -2.439 3.991 15.564) 16.252 14.305 ( 9.373 1.379 -0.518) 9.488 14.831 ( 2.155 -10.062 -7.973) 13.017 15.321 ( -9.460 -7.209 0.098) 11.894 15.639 ( 3.749 9.851 7.944) 13.198 15.731 ( 5.086 -4.565 -7.042) 9.813 15.885 ( 0.267 6.620 4.763) 8.159 16.599 ( 2.578 1.409 5.929) 6.617 16.852 ( 5.865 1.820 7.923) 10.024 17.295 ( -7.864 -0.975 -12.516) 14.814 17.966 ( -0.578 1.096 1.024) 1.608 18.034 ( 0.034 3.715 -1.832) 4.142 19.069 ( -2.559 -8.611 -2.189) 9.246 19.301 ( 7.822 -1.243 -2.093) 8.192 20.599 ( -3.128 11.227 1.178) 11.714 22.084 ( -2.744 0.386 -3.343) 4.342======================= Grid point 183 (70/116) =======================q-point: (-0.30 -0.30 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.531 ( 0.000 -23.579 -6.600) 24.486 3.024 ( 0.000 -10.162 -15.929) 18.895 3.130 ( -0.000 -3.486 6.239) 7.147 3.684 ( 0.000 -1.224 -2.040) 2.379 3.818 ( 0.000 -0.263 -8.300) 8.304 3.849 ( 0.000 -1.789 -3.369) 3.815 6.113 ( -0.000 -16.621 7.007) 18.038 6.229 ( 0.000 -12.282 -0.022) 12.282 6.639 ( 0.000 11.917 -14.274) 18.595 8.060 ( -0.000 10.575 3.094) 11.019 8.700 ( -0.000 18.652 3.511) 18.979 9.065 ( -0.000 11.117 7.150) 13.218 9.470 ( 0.000 -21.456 -6.064) 22.296 9.579 ( 0.000 4.080 -14.923) 15.470 9.772 ( -0.000 29.372 14.155) 32.605 11.105 ( -0.000 -2.485 1.517) 2.911 11.136 ( -0.000 3.569 4.477) 5.726 11.471 ( -0.000 8.656 14.754) 17.106 11.796 ( 0.000 7.216 -9.424) 11.870 12.243 ( 0.000 -0.689 -0.712) 0.991 12.289 ( 0.000 -9.842 -7.245) 12.222 13.110 ( -0.000 4.567 5.056) 6.813 13.407 ( 0.000 -4.905 -6.570) 8.199 13.536 ( 0.000 -7.439 -16.821) 18.393 13.727 ( 0.000 -0.413 -21.210) 21.214 13.836 ( -0.000 1.415 29.680) 29.714 13.956 ( -0.000 4.124 21.005) 21.406 14.149 ( 0.000 -3.368 -2.060) 3.948 14.799 ( 0.000 -11.386 -11.636) 16.280 15.489 ( 0.000 -0.016 -1.299) 1.299 15.608 ( -0.000 4.405 14.279) 14.943 15.620 ( 0.000 -11.014 -7.748) 13.466 15.871 ( -0.000 9.419 3.137) 9.928 16.571 ( -0.000 -5.537 9.987) 11.419 16.765 ( -0.000 9.474 6.288) 11.371 17.405 ( 0.000 -2.216 -15.048) 15.210 17.954 ( -0.000 4.294 3.423) 5.491 18.055 ( 0.000 2.469 -4.068) 4.759 19.112 ( 0.000 -9.282 -4.715) 10.411 19.175 ( 0.000 -2.348 -0.919) 2.521 20.647 ( -0.000 13.719 1.561) 13.807 22.125 ( 0.000 1.038 -4.314) 4.437======================= Grid point 184 (71/116) =======================q-point: (-0.20 -0.30 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.228 ( -3.035 -29.512 -7.072) 30.499 2.660 ( -4.010 -13.541 -21.283) 25.542 3.153 ( 0.341 -3.651 0.608) 3.717 3.579 ( -5.917 -2.127 -4.617) 7.801 3.679 ( 5.139 -5.036 -11.219) 13.328 3.859 ( 8.008 -1.424 -2.618) 8.545 5.695 ( 6.352 -34.724 -18.138) 39.688 6.390 ( -13.495 10.387 2.003) 17.147 6.755 ( 15.298 14.159 9.906) 23.078 8.134 ( -7.372 9.304 4.068) 12.549 8.900 ( 2.765 20.719 1.230) 20.939 9.053 ( -6.344 -17.865 -5.441) 19.723 9.227 ( -8.885 6.321 -2.407) 11.167 9.550 ( 13.259 0.608 -4.641) 14.061 10.213 ( 3.744 27.669 14.186) 31.319 11.027 ( -12.234 0.093 2.896) 12.573 11.242 ( 1.892 -0.259 3.431) 3.927 11.719 ( 0.138 6.344 4.902) 8.019 11.750 ( 4.708 8.408 -3.818) 10.365 12.081 ( -3.098 -5.986 -4.848) 8.303 12.275 ( 7.989 -1.190 -4.696) 9.344 13.083 ( -1.315 -13.103 -7.385) 15.099 13.130 ( 0.449 -2.335 -19.344) 19.490 13.312 ( -4.427 7.629 -10.590) 13.782 13.605 ( -3.428 -3.561 2.510) 5.543 14.144 ( 7.188 -3.756 -1.209) 8.200 14.312 ( -2.848 3.693 31.374) 31.719 14.361 ( 0.331 3.107 35.113) 35.252 14.584 ( 4.974 -10.717 -9.086) 14.905 15.350 ( -7.744 -6.494 -5.097) 11.319 15.528 ( 6.238 -3.456 -6.268) 9.494 15.812 ( -0.820 5.007 10.107) 11.309 15.996 ( 0.849 6.922 4.475) 8.286 16.669 ( 0.761 -4.996 8.463) 9.857 16.894 ( 2.475 4.175 2.039) 5.264 17.145 ( -2.819 -0.543 -16.781) 17.025 17.972 ( -2.288 3.405 -5.522) 6.879 18.005 ( 1.155 5.639 -5.396) 7.890 18.976 ( -0.437 -10.071 -3.702) 10.739 19.150 ( 5.637 -5.950 -3.423) 8.882 20.761 ( -2.980 12.859 3.743) 13.720 22.080 ( -1.398 0.230 -1.503) 2.065======================= Grid point 194 (72/116) =======================q-point: (-0.20 -0.20 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.919 ( 0.000 -32.599 -8.032) 33.574 2.275 ( 0.000 -18.727 -23.477) 30.031 2.978 ( 0.000 -12.560 -19.448) 23.151 3.350 ( 0.000 -2.169 -12.522) 12.708 3.668 ( -0.000 -3.838 1.144) 4.005 3.714 ( 0.000 -3.056 -3.595) 4.718 5.157 ( 0.000 -34.100 -17.230) 38.206 6.497 ( 0.000 19.515 -11.836) 22.824 6.998 ( -0.000 8.557 24.173) 25.643 8.264 ( -0.000 -0.373 3.175) 3.197 8.947 ( 0.000 -10.465 -0.764) 10.493 9.036 ( 0.000 17.354 -4.268) 17.871 9.157 ( 0.000 5.434 -11.796) 12.987 9.562 ( -0.000 3.519 12.746) 13.223 10.584 ( -0.000 25.784 13.918) 29.301 11.161 ( -0.000 -1.438 3.264) 3.567 11.253 ( -0.000 -2.593 2.466) 3.579 11.654 ( 0.000 7.952 -8.072) 11.331 11.916 ( -0.000 7.085 7.934) 10.637 11.976 ( 0.000 -9.369 -3.853) 10.130 12.122 ( 0.000 8.836 -10.714) 13.888 12.850 ( 0.000 -19.385 -9.240) 21.474 12.855 ( 0.000 -5.269 -10.932) 12.136 13.313 ( 0.000 16.496 -11.176) 19.926 13.670 ( -0.000 -3.389 3.749) 5.054 14.060 ( -0.000 -6.557 2.384) 6.977 14.330 ( 0.000 -10.033 -8.520) 13.163 14.826 ( -0.000 5.195 32.990) 33.397 14.923 ( -0.000 1.472 41.572) 41.598 15.249 ( 0.000 -7.063 -8.271) 10.876 15.404 ( 0.000 -1.070 -3.923) 4.066 15.965 ( -0.000 0.476 7.005) 7.021 16.076 ( -0.000 4.475 1.863) 4.847 16.746 ( -0.000 -7.423 9.465) 12.028 16.890 ( 0.000 2.009 -3.853) 4.345 16.927 ( 0.000 3.212 -16.615) 16.922 17.908 ( 0.000 6.002 -10.217) 11.849 17.939 ( 0.000 7.785 -10.783) 13.300 18.857 ( 0.000 -11.112 -2.279) 11.343 19.002 ( 0.000 -10.230 -4.095) 11.019 20.938 ( -0.000 13.273 5.217) 14.262 22.072 ( 0.000 -1.536 -0.383) 1.583======================= Grid point 229 (73/116) =======================q-point: ( 0.20 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.510 ( -0.000 0.000 19.138) 19.138 2.510 ( -0.000 -0.000 19.138) 19.138 3.134 ( 0.000 0.000 -7.654) 7.654 3.553 ( 0.000 0.000 1.514) 1.514 3.553 ( 0.000 0.000 1.514) 1.514 4.085 ( -0.000 -0.000 14.159) 14.159 5.352 ( -0.000 -0.000 25.450) 25.450 6.596 ( 0.000 0.000 -16.179) 16.179 6.596 ( 0.000 -0.000 -16.179) 16.179 8.922 ( 0.000 0.000 -11.096) 11.096 8.922 ( 0.000 -0.000 -11.096) 11.096 9.019 ( -0.000 -0.000 37.343) 37.343 9.221 ( 0.000 0.000 -8.490) 8.490 9.221 ( 0.000 -0.000 -8.490) 8.490 10.678 ( 0.000 0.000 -8.171) 8.171 11.314 ( -0.000 -0.000 5.810) 5.810 11.578 ( 0.000 -0.000 -2.944) 2.944 11.578 ( 0.000 -0.000 -2.944) 2.944 12.056 ( -0.000 0.000 4.460) 4.460 12.056 ( -0.000 -0.000 4.460) 4.460 12.163 ( 0.000 0.000 -16.335) 16.335 13.133 ( 0.000 0.000 -13.678) 13.678 13.133 ( 0.000 0.000 -13.678) 13.678 13.144 ( -0.000 -0.000 22.669) 22.669 13.695 ( 0.000 0.000 -16.006) 16.006 13.695 ( 0.000 0.000 -16.006) 16.006 13.763 ( -0.000 -0.000 3.259) 3.259 14.168 ( -0.000 -0.000 37.710) 37.710 14.556 ( -0.000 -0.000 14.748) 14.748 15.293 ( -0.000 0.000 1.521) 1.521 15.293 ( 0.000 -0.000 1.521) 1.521 16.145 ( 0.000 0.000 -0.084) 0.084 16.145 ( 0.000 -0.000 -0.084) 0.084 16.636 ( -0.000 0.000 0.116) 0.116 16.636 ( -0.000 -0.000 0.116) 0.116 17.349 ( -0.000 -0.000 0.259) 0.259 18.025 ( 0.000 0.000 -12.678) 12.678 18.025 ( 0.000 0.000 -12.678) 12.678 19.054 ( -0.000 -0.000 10.864) 10.864 19.054 ( -0.000 -0.000 10.864) 10.864 20.875 ( 0.000 0.000 -9.086) 9.086 22.549 ( -0.000 -0.000 10.735) 10.735======================= Grid point 230 (74/116) =======================q-point: ( 0.30 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.536 ( -12.072 -6.970 15.630) 20.943 2.925 ( 2.724 1.573 3.846) 4.969 3.036 ( 8.964 5.175 0.270) 10.354 3.485 ( -5.843 -3.373 3.117) 7.431 3.714 ( 9.854 5.689 1.310) 11.454 4.220 ( -2.441 -1.410 7.231) 7.762 5.755 ( 6.513 3.761 23.685) 24.850 6.138 ( -15.003 -8.662 -13.396) 21.899 6.673 ( 16.661 9.619 -8.381) 20.985 8.538 ( -18.171 -10.491 -11.304) 23.833 8.739 ( 0.371 0.214 -18.459) 18.464 8.943 ( -4.071 -2.351 -18.223) 18.820 9.352 ( 13.119 7.574 -0.394) 15.153 9.519 ( 2.974 1.717 26.554) 26.776 10.578 ( 1.270 0.733 -7.095) 7.245 11.200 ( -18.865 -10.892 -3.214) 22.019 11.446 ( -0.305 -0.176 2.698) 2.721 11.624 ( -7.085 -4.090 -6.811) 10.645 11.856 ( 3.240 1.870 -7.146) 8.066 12.115 ( 2.624 1.515 -6.291) 6.983 12.215 ( 7.866 4.541 3.276) 9.655 12.802 ( -9.350 -5.398 -7.574) 13.188 13.178 ( 9.939 5.738 -7.810) 13.882 13.329 ( -5.399 -3.117 4.865) 7.908 13.566 ( 3.483 2.011 -0.336) 4.036 13.598 ( 8.344 4.818 -9.342) 13.420 13.958 ( 3.144 1.815 21.047) 21.358 14.607 ( 0.360 0.208 20.349) 20.353 14.870 ( 1.564 0.903 32.042) 32.093 15.216 ( -5.132 -2.963 -0.382) 5.938 15.394 ( 6.147 3.549 -0.623) 7.125 16.074 ( -4.836 -2.792 -4.659) 7.273 16.103 ( -1.820 -1.051 -2.702) 3.423 16.598 ( -2.126 -1.227 3.538) 4.306 16.705 ( 3.107 1.794 -2.893) 4.609 17.316 ( -1.053 -0.608 -2.912) 3.156 17.807 ( -0.375 -0.216 -16.818) 16.824 17.878 ( 2.237 1.292 -11.155) 11.451 19.148 ( -2.212 -1.277 8.018) 8.415 19.217 ( 3.330 1.923 5.123) 6.405 20.743 ( -0.496 -0.286 -8.879) 8.897 22.654 ( -4.814 -2.779 9.977) 11.421======================= Grid point 231 (75/116) =======================q-point: ( 0.40 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 282Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.547 ( -10.966 -6.331 12.453) 17.761 2.786 ( -4.271 -2.466 -8.207) 9.575 3.344 ( 8.203 4.736 8.778) 12.914 3.459 ( -4.595 -2.653 5.628) 7.735 3.883 ( 9.526 5.500 -0.171) 11.001 4.184 ( -7.220 -4.168 -0.963) 8.392 5.784 ( -9.227 -5.327 -8.001) 13.324 6.181 ( 7.952 4.591 19.010) 21.111 6.912 ( 18.738 10.818 0.926) 21.657 8.046 ( -23.144 -13.362 -8.985) 28.194 8.511 ( 3.381 1.952 -17.937) 18.357 8.607 ( 0.418 0.242 -25.063) 25.067 9.552 ( 11.201 6.467 -0.065) 12.934 9.830 ( -1.891 -1.092 16.052) 16.200 10.534 ( 3.912 2.258 -5.077) 6.795 10.803 ( -18.927 -10.928 -5.715) 22.590 11.307 ( -11.847 -6.840 -9.411) 16.604 11.488 ( -1.490 -0.860 4.142) 4.485 11.917 ( 9.627 5.558 -5.779) 12.529 12.028 ( -0.856 -0.494 -7.118) 7.187 12.393 ( 7.642 4.412 3.149) 9.369 12.607 ( -4.272 -2.466 -4.553) 6.713 13.228 ( 0.086 0.050 2.856) 2.858 13.228 ( -7.962 -4.597 0.489) 9.207 13.650 ( 14.462 8.349 -11.742) 20.414 13.720 ( 6.559 3.787 7.582) 10.717 14.379 ( 3.934 2.271 28.069) 28.434 14.799 ( 0.042 0.024 8.825) 8.825 15.117 ( -5.305 -3.063 0.095) 6.126 15.425 ( 2.045 1.181 39.072) 39.144 15.456 ( 3.474 2.006 -2.387) 4.668 15.917 ( -4.690 -2.708 -4.079) 6.780 16.018 ( -1.322 -0.764 -5.584) 5.789 16.624 ( -0.529 -0.306 1.811) 1.912 16.625 ( -0.870 -0.503 -10.962) 11.008 17.261 ( -2.096 -1.210 -0.881) 2.576 17.549 ( 1.549 0.895 -20.912) 20.988 17.805 ( 3.034 1.752 -6.052) 6.993 19.199 ( -2.699 -1.559 5.087) 5.966 19.295 ( 2.705 1.562 -1.237) 3.359 20.628 ( 0.944 0.545 -7.596) 7.673 22.674 ( -7.937 -4.583 8.156) 12.268======================= Grid point 232 (76/116) =======================q-point: (-0.50 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.514 ( -13.002 -7.507 10.706) 18.439 2.598 ( -7.150 -4.128 -5.412) 9.872 3.459 ( -7.126 -4.114 5.544) 9.922 3.493 ( -2.460 -1.420 7.295) 7.829 4.008 ( 2.437 1.407 -0.842) 2.937 4.015 ( -1.114 -0.643 -6.668) 6.791 5.626 ( -1.135 -0.655 -2.934) 3.213 6.476 ( -3.090 -1.784 13.268) 13.740 7.222 ( 9.950 5.745 1.912) 11.648 7.693 ( -4.898 -2.828 3.477) 6.639 8.282 ( 5.452 3.148 -27.604) 28.313 8.351 ( 6.273 3.622 -16.684) 18.189 9.649 ( -10.677 -6.164 8.649) 15.060 9.924 ( 7.677 4.432 -5.032) 10.193 10.541 ( -8.302 -4.793 3.137) 10.087 10.557 ( 6.678 3.855 -5.176) 9.287 11.039 ( -6.282 -3.627 -6.240) 9.569 11.497 ( -2.994 -1.729 1.959) 3.974 11.902 ( -2.924 -1.688 -5.093) 6.110 11.977 ( 7.539 4.353 -6.973) 11.154 12.428 ( -2.571 -1.484 -3.344) 4.472 12.635 ( 7.197 4.155 3.393) 8.977 13.109 ( -8.379 -4.838 1.718) 9.827 13.246 ( -5.202 -3.003 5.318) 8.022 13.712 ( 12.452 7.189 -11.214) 18.234 13.951 ( 5.498 3.174 10.059) 11.895 14.795 ( 4.125 2.382 19.646) 20.216 14.839 ( -4.492 -2.594 0.529) 5.214 15.062 ( -2.553 -1.474 3.119) 4.291 15.452 ( -0.836 -0.483 2.054) 2.270 15.870 ( 0.850 0.491 2.147) 2.360 15.905 ( 0.587 0.339 -8.182) 8.210 15.998 ( 1.930 1.114 34.846) 34.917 16.421 ( -0.766 -0.443 -13.243) 13.273 16.610 ( 0.241 0.139 -3.790) 3.801 17.131 ( -4.512 -2.605 -14.373) 15.288 17.386 ( 3.908 2.256 -4.537) 6.399 17.770 ( -0.070 -0.041 -3.899) 3.900 19.206 ( -3.142 -1.814 3.047) 4.738 19.273 ( 1.293 0.747 -6.050) 6.232 20.573 ( 3.927 2.267 -5.945) 7.477 22.628 ( -9.083 -5.244 5.192) 11.703======================= Grid point 233 (77/116) =======================q-point: (-0.40 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 282Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.408 ( -12.740 -7.356 1.951) 14.840 2.427 ( -16.365 -9.449 11.653) 22.201 3.334 ( -13.624 -7.866 5.190) 16.566 3.567 ( -1.069 -0.617 6.919) 7.029 3.847 ( -4.924 -2.843 -8.504) 10.230 4.021 ( -2.386 -1.377 -2.612) 3.796 5.649 ( 5.675 3.276 0.474) 6.570 6.331 ( -28.751 -16.600 6.441) 33.818 7.342 ( 7.635 4.408 1.637) 8.967 8.006 ( 16.750 9.671 11.321) 22.411 8.068 ( 14.008 8.088 -19.929) 25.667 8.251 ( 8.204 4.736 -14.182) 17.055 9.466 ( -18.811 -10.860 4.820) 22.249 9.969 ( 6.142 3.546 -7.707) 10.473 10.547 ( 6.147 3.549 -12.454) 14.334 10.630 ( 6.805 3.929 10.031) 12.742 10.994 ( 4.832 2.790 2.558) 6.137 11.445 ( -3.989 -2.303 -0.806) 4.676 11.784 ( -6.064 -3.501 -1.078) 7.085 11.985 ( 5.868 3.388 -7.532) 10.131 12.327 ( -3.854 -2.225 -3.372) 5.583 12.778 ( 4.506 2.602 1.151) 5.329 13.023 ( -7.713 -4.453 6.047) 10.765 13.196 ( -6.897 -3.982 1.463) 8.097 13.745 ( 6.823 3.939 -6.584) 10.268 14.139 ( 2.079 1.201 7.083) 7.479 14.690 ( -8.270 -4.775 -4.554) 10.580 14.994 ( 2.639 1.524 2.848) 4.171 15.108 ( -0.532 -0.307 5.538) 5.572 15.608 ( 2.790 1.611 17.982) 18.269 15.753 ( 3.002 1.733 -17.463) 17.803 15.972 ( 2.995 1.729 6.213) 7.111 16.176 ( -1.861 -1.074 -6.670) 7.008 16.509 ( 2.502 1.445 -15.185) 15.457 16.585 ( 4.713 2.721 28.914) 29.422 16.829 ( -3.806 -2.198 -14.544) 15.193 17.457 ( 1.030 0.595 6.410) 6.519 17.670 ( -4.786 -2.763 -4.929) 7.405 19.187 ( -3.622 -2.091 2.222) 4.736 19.188 ( -0.558 -0.322 -6.397) 6.430 20.590 ( 7.717 4.456 -5.237) 10.336 22.524 ( -8.978 -5.184 1.000) 10.415======================= Grid point 234 (78/116) =======================q-point: (-0.30 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.270 ( -16.221 -9.365 13.023) 22.813 2.322 ( -18.695 -10.793 15.043) 26.312 3.233 ( -9.507 -5.489 8.022) 13.596 3.539 ( -18.211 -10.514 -9.398) 23.032 3.639 ( -0.887 -0.512 5.560) 5.654 3.896 ( -6.363 -3.674 -3.029) 7.948 5.814 ( 10.604 6.122 3.882) 12.845 5.890 ( -34.936 -20.170 8.303) 41.186 7.380 ( 4.409 2.546 -12.415) 13.419 8.194 ( 25.537 14.744 -4.713) 29.862 8.240 ( 11.188 6.459 -10.304) 16.525 8.487 ( 13.356 7.711 16.403) 22.514 9.237 ( -14.945 -8.628 2.282) 17.407 9.897 ( 1.285 0.742 -10.518) 10.622 10.464 ( 10.032 5.792 -16.079) 19.817 10.977 ( 13.728 7.926 13.152) 20.597 11.198 ( 13.110 7.569 1.428) 15.206 11.355 ( -4.085 -2.359 -2.382) 5.284 11.694 ( -9.347 -5.396 8.170) 13.536 11.967 ( 4.672 2.698 -7.195) 8.993 12.208 ( -5.851 -3.378 -2.415) 7.174 12.821 ( 1.716 0.991 1.348) 2.397 13.020 ( -8.157 -4.710 9.570) 13.427 13.066 ( -7.532 -4.348 -2.700) 9.106 13.753 ( 1.938 1.119 -2.476) 3.337 14.206 ( -0.969 -0.560 1.532) 1.898 14.497 ( -8.065 -4.656 -2.746) 9.709 15.079 ( 4.253 2.455 3.739) 6.172 15.177 ( -1.451 -0.838 6.236) 6.457 15.512 ( 4.208 2.430 -25.346) 25.808 15.855 ( 3.487 2.013 -6.504) 7.649 16.064 ( -0.663 -0.383 6.400) 6.446 16.083 ( 0.399 0.230 -4.544) 4.567 16.359 ( 6.792 3.921 -6.149) 9.966 16.680 ( -0.403 -0.233 -1.816) 1.874 17.007 ( 1.656 0.956 18.959) 19.055 17.515 ( -5.220 -3.014 -1.077) 6.123 17.575 ( -0.456 -0.263 9.925) 9.939 19.088 ( -3.511 -2.027 -3.203) 5.167 19.149 ( -4.871 -2.812 2.194) 6.037 20.674 ( 11.318 6.534 -5.182) 14.058 22.364 ( -8.327 -4.808 -3.465) 10.221======================= Grid point 235 (79/116) =======================q-point: (-0.20 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 282Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.200 ( -19.852 -11.462 14.007) 26.864 2.256 ( -18.524 -10.695 19.687) 29.071 3.081 ( -26.154 -15.100 5.390) 30.678 3.253 ( -3.903 -2.253 8.154) 9.317 3.690 ( -1.422 -0.821 4.458) 4.751 3.761 ( -4.986 -2.879 -2.632) 6.331 5.470 ( -34.012 -19.637 12.803) 41.308 6.100 ( 14.129 8.158 8.278) 18.295 7.212 ( 5.471 3.159 -21.177) 22.099 8.287 ( 8.761 5.058 -8.567) 13.257 8.630 ( 25.372 14.648 3.805) 29.543 8.877 ( 6.496 3.751 16.195) 17.848 9.060 ( -11.140 -6.432 3.569) 13.350 9.736 ( 1.314 0.758 -15.116) 15.192 10.462 ( 17.860 10.311 -16.359) 26.324 11.251 ( -3.660 -2.113 -3.236) 5.323 11.316 ( 4.488 2.591 -6.598) 8.389 11.369 ( 11.841 6.837 11.249) 17.705 11.808 ( 1.190 0.687 18.110) 18.162 11.943 ( 3.691 2.131 -5.700) 7.118 12.079 ( -7.667 -4.426 0.220) 8.856 12.905 ( -7.152 -4.129 -1.615) 8.415 12.964 ( 7.592 4.383 9.718) 13.088 12.976 ( -13.052 -7.535 8.896) 17.500 13.735 ( -0.854 -0.493 -1.660) 1.931 14.164 ( -3.126 -1.805 -2.066) 4.159 14.374 ( -7.404 -4.275 3.248) 9.146 15.184 ( 4.873 2.813 -25.795) 26.401 15.236 ( 5.930 3.424 4.201) 8.033 15.237 ( -4.312 -2.490 2.644) 5.638 15.498 ( 0.779 0.450 -35.511) 35.523 16.055 ( 2.544 1.469 -3.030) 4.220 16.089 ( -4.702 -2.715 -1.419) 5.612 16.599 ( 8.151 4.706 15.876) 18.456 16.754 ( 4.340 2.506 5.715) 7.601 17.000 ( -8.290 -4.786 -6.703) 11.685 17.646 ( 4.699 2.713 15.821) 16.726 17.719 ( 0.483 0.279 10.877) 10.891 18.980 ( -7.153 -4.130 0.004) 8.259 19.087 ( -6.924 -3.997 2.604) 8.408 20.805 ( 12.963 7.484 -5.034) 15.792 22.177 ( -6.468 -3.734 -4.755) 8.853======================= Grid point 240 (80/116) =======================q-point: ( 0.30 0.30 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.756 ( -0.000 -8.124 11.321) 13.934 2.853 ( 0.000 -2.988 -7.998) 8.537 3.123 ( -0.000 14.073 9.567) 17.017 3.569 ( -0.000 -1.332 3.213) 3.478 3.712 ( -0.000 6.745 2.351) 7.143 4.292 ( -0.000 -4.177 2.848) 5.056 5.918 ( 0.000 -19.975 -2.082) 20.084 6.148 ( -0.000 7.102 16.508) 17.971 6.582 ( -0.000 21.309 -3.190) 21.547 8.395 ( 0.000 -7.460 -15.221) 16.951 8.449 ( 0.000 -0.786 -20.144) 20.159 8.695 ( 0.000 -12.066 -17.938) 21.619 9.224 ( 0.000 17.719 -9.705) 20.203 9.918 ( -0.000 -3.089 26.838) 27.015 10.481 ( 0.000 0.523 -5.721) 5.745 11.105 ( 0.000 -26.320 -10.234) 28.239 11.429 ( -0.000 -5.216 5.147) 7.328 11.584 ( 0.000 -9.753 -15.194) 18.055 11.721 ( 0.000 18.206 -4.188) 18.681 12.029 ( 0.000 -5.204 -0.548) 5.233 12.271 ( -0.000 10.621 1.864) 10.783 12.787 ( 0.000 -1.195 -6.051) 6.168 13.082 ( -0.000 8.822 -0.621) 8.843 13.383 ( 0.000 -1.814 -1.289) 2.226 13.486 ( -0.000 0.070 0.886) 0.888 13.569 ( -0.000 7.704 -0.902) 7.756 14.335 ( -0.000 1.219 30.912) 30.936 14.798 ( -0.000 0.396 10.036) 10.043 15.220 ( 0.000 -5.575 0.325) 5.584 15.374 ( -0.000 2.880 14.236) 14.524 15.409 ( -0.000 3.521 26.526) 26.759 15.998 ( 0.000 -5.467 -7.749) 9.483 16.022 ( 0.000 -0.893 -6.688) 6.747 16.624 ( 0.000 -3.541 -7.335) 8.145 16.641 ( -0.000 -1.545 2.296) 2.768 17.290 ( 0.000 5.097 -3.946) 6.445 17.540 ( 0.000 -6.398 -17.724) 18.843 17.749 ( 0.000 8.198 -9.053) 12.214 19.239 ( -0.000 -1.624 1.418) 2.156 19.254 ( -0.000 0.864 4.283) 4.369 20.614 ( 0.000 1.559 -10.098) 10.217 22.779 ( -0.000 -5.150 7.650) 9.222======================= Grid point 241 (81/116) =======================q-point: (-0.60 0.30 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.704 ( -2.028 -4.201 -5.056) 6.879 2.812 ( -10.028 -2.203 10.291) 14.537 3.388 ( 8.615 9.380 5.980) 14.070 3.580 ( -3.813 -0.361 4.436) 5.861 3.824 ( 5.741 5.571 0.378) 8.009 4.217 ( -6.931 -6.733 -2.127) 9.895 5.687 ( -2.242 -19.396 -2.880) 19.736 6.477 ( -2.090 13.442 18.384) 22.869 6.847 ( 14.619 19.215 5.023) 24.661 8.069 ( -10.911 -6.627 -12.080) 17.576 8.212 ( 4.572 1.849 -18.975) 19.606 8.282 ( -8.955 -7.931 -20.359) 23.613 9.336 ( 17.995 12.323 -7.410) 23.035 10.146 ( -9.903 -8.643 17.427) 21.828 10.435 ( 2.622 0.684 -3.814) 4.679 10.727 ( -3.675 -23.865 -9.511) 25.952 11.247 ( -9.673 -4.165 -10.406) 14.806 11.501 ( 3.814 -6.387 2.030) 7.711 11.806 ( 3.912 14.915 -5.943) 16.525 11.972 ( -2.419 -5.620 0.201) 6.122 12.420 ( 4.701 9.128 4.011) 11.023 12.636 ( -7.674 2.305 -5.403) 9.664 13.191 ( 4.843 -3.736 1.508) 6.300 13.357 ( -0.586 7.710 0.116) 7.733 13.470 ( -2.543 3.438 -3.130) 5.299 13.721 ( 11.169 4.200 4.107) 12.619 14.756 ( 0.090 -0.147 26.709) 26.710 14.903 ( -0.818 -1.544 5.878) 6.133 15.170 ( -4.500 -5.231 2.877) 7.476 15.458 ( 0.810 2.403 4.136) 4.851 15.826 ( 0.964 -5.408 -9.857) 11.284 15.928 ( -0.793 3.898 -4.913) 6.322 15.958 ( 0.954 1.499 35.456) 35.500 16.440 ( -0.414 -6.057 -12.704) 14.080 16.622 ( -0.789 1.523 -5.404) 5.670 17.228 ( -2.628 -9.323 -14.667) 17.577 17.300 ( 2.384 5.445 -2.431) 6.422 17.743 ( 1.339 8.777 -3.364) 9.495 19.214 ( 0.623 -4.200 -2.147) 4.758 19.293 ( -1.197 2.342 0.575) 2.693 20.500 ( 1.702 3.769 -9.997) 10.819 22.796 ( -3.888 -6.425 4.346) 8.677======================= Grid point 242 (82/116) =======================q-point: (-0.50 0.30 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.595 ( -4.759 -5.887 0.685) 7.601 2.801 ( -12.888 -0.399 9.723) 16.149 3.554 ( -0.402 0.322 3.609) 3.646 3.615 ( -1.473 1.149 4.906) 5.250 3.921 ( 4.908 3.920 -2.502) 6.761 4.010 ( -8.352 -5.506 -3.950) 10.755 5.562 ( 2.104 -12.424 1.437) 12.683 6.771 ( -6.029 9.673 16.421) 19.989 7.214 ( 8.235 12.613 4.104) 15.613 7.815 ( -5.940 -1.495 3.824) 7.220 7.861 ( -0.437 -0.287 -25.838) 25.843 8.065 ( 6.764 3.983 -15.687) 17.541 9.582 ( 21.490 6.239 -3.670) 22.676 9.962 ( -19.593 -17.060 0.053) 25.980 10.432 ( 3.387 3.486 -5.892) 7.638 10.557 ( 3.004 -13.911 3.665) 14.696 11.020 ( -5.861 2.304 -6.019) 8.711 11.495 ( 0.373 -7.569 0.366) 7.587 11.846 ( 3.077 9.335 -6.881) 11.998 11.918 ( -4.245 -2.929 3.013) 5.973 12.465 ( -5.802 4.284 -4.159) 8.325 12.648 ( 4.887 5.374 5.123) 8.889 13.154 ( -2.043 -7.469 0.770) 7.781 13.378 ( -8.100 0.314 0.361) 8.114 13.503 ( 10.269 11.073 -4.274) 15.695 13.943 ( 11.758 2.894 2.537) 12.372 14.890 ( -6.063 -3.414 -0.084) 6.958 15.016 ( -2.972 -2.961 13.541) 14.176 15.144 ( -2.900 -4.243 5.746) 7.709 15.574 ( 0.480 0.388 11.764) 11.780 15.673 ( 3.526 -1.751 -14.528) 15.052 15.903 ( 2.079 7.829 -2.186) 8.390 16.212 ( -0.860 -3.447 -10.091) 10.698 16.447 ( 2.170 0.310 -4.498) 5.003 16.515 ( 1.312 3.847 17.370) 17.839 16.938 ( -4.725 -9.633 -8.626) 13.767 17.400 ( 3.412 2.271 6.226) 7.454 17.757 ( -2.212 5.942 -2.735) 6.905 19.147 ( 1.414 -4.804 -3.962) 6.386 19.286 ( -2.640 3.546 -0.730) 4.481 20.437 ( 4.613 5.494 -9.307) 11.751 22.720 ( -6.273 -6.650 0.408) 9.151======================= Grid point 243 (83/116) =======================q-point: (-0.40 0.30 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.526 ( -8.029 -9.516 8.501) 15.076 2.769 ( -14.577 0.021 10.249) 17.820 3.511 ( -10.105 -4.999 4.387) 12.098 3.669 ( -1.259 1.032 4.123) 4.433 3.779 ( -6.606 -3.935 -6.554) 10.104 3.989 ( 1.445 0.971 -2.703) 3.215 5.600 ( 6.900 -5.728 5.085) 10.309 6.733 ( -30.888 -9.399 10.482) 33.945 7.336 ( -1.327 6.956 -4.663) 8.479 7.645 ( 17.258 12.586 -14.787) 25.978 7.993 ( 8.711 4.073 -11.091) 14.680 8.111 ( 14.475 10.745 15.437) 23.734 9.558 ( -6.011 -12.397 -11.581) 17.998 9.804 ( 3.626 -4.424 2.899) 6.412 10.363 ( 0.038 7.151 -11.954) 13.930 10.653 ( 10.643 -5.685 8.928) 15.010 10.999 ( 2.921 8.140 -0.309) 8.653 11.420 ( -1.136 -8.870 -1.598) 9.084 11.837 ( 2.256 3.694 -4.905) 6.542 11.913 ( -6.071 0.156 6.522) 8.912 12.367 ( -5.942 2.550 -2.808) 7.050 12.777 ( 1.941 1.849 2.415) 3.608 13.125 ( -1.045 -5.346 4.503) 7.067 13.265 ( -7.634 0.873 -2.228) 8.000 13.628 ( 6.907 5.863 -2.155) 9.313 14.093 ( 8.628 1.572 -1.352) 8.873 14.734 ( -9.464 -1.576 -3.946) 10.374 15.077 ( -3.590 -4.085 7.972) 9.650 15.182 ( 1.103 -3.439 3.026) 4.712 15.448 ( 0.250 -0.443 -16.741) 16.749 15.761 ( 3.992 3.926 -4.248) 7.028 15.994 ( 4.709 0.559 3.410) 5.840 16.092 ( 0.257 2.683 -3.938) 4.772 16.225 ( 4.116 1.552 -12.885) 13.615 16.733 ( -3.745 -8.529 -3.049) 9.802 16.960 ( 1.472 2.660 25.370) 25.552 17.548 ( 1.483 -0.967 7.945) 8.140 17.692 ( -6.426 4.069 -2.127) 7.898 19.094 ( 1.581 -3.933 -1.423) 4.471 19.266 ( -3.803 3.698 -0.205) 5.309 20.432 ( 8.036 6.890 -8.706) 13.706 22.565 ( -7.507 -6.300 -3.750) 10.493======================= Grid point 244 (84/116) =======================q-point: (-0.30 0.30 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.507 ( -9.997 -12.522 15.855) 22.541 2.729 ( -16.088 -1.548 10.885) 19.486 3.426 ( -10.034 -4.266 5.669) 12.289 3.545 ( -9.621 -5.890 -5.839) 12.702 3.720 ( -1.721 0.276 3.790) 4.171 3.916 ( -5.339 -1.481 -2.487) 6.073 5.785 ( 10.945 -0.854 8.942) 14.159 6.363 ( -37.243 -14.031 11.701) 41.483 7.136 ( 0.857 4.742 -21.553) 22.085 8.008 ( 10.909 3.242 -7.518) 13.639 8.016 ( 22.811 19.580 5.488) 30.558 8.599 ( 14.834 7.983 16.804) 23.794 9.295 ( -3.782 -2.468 -8.884) 9.966 9.735 ( -1.269 -12.989 -4.120) 13.686 10.235 ( -0.561 10.990 -14.046) 17.844 10.950 ( 16.991 -1.557 7.509) 18.641 11.151 ( 8.781 11.586 1.346) 14.600 11.318 ( -1.008 -8.696 -1.134) 8.828 11.817 ( 3.281 4.370 -7.181) 9.024 11.970 ( -8.445 -2.559 16.042) 18.309 12.280 ( -6.932 1.984 -0.553) 7.231 12.835 ( 2.941 0.237 3.544) 4.611 13.073 ( -5.771 -3.487 -2.002) 7.034 13.220 ( -6.802 -1.616 8.029) 10.647 13.688 ( 4.177 1.919 -2.914) 5.443 14.149 ( 3.439 0.483 -1.499) 3.782 14.581 ( -6.745 2.076 -2.934) 7.643 15.040 ( 3.179 -4.248 -18.046) 18.810 15.172 ( 0.999 2.926 1.724) 3.540 15.338 ( -4.245 -4.778 6.721) 9.275 15.459 ( 2.264 2.785 -34.985) 35.168 15.990 ( 2.535 0.344 -5.867) 6.400 16.176 ( -0.651 -1.937 -1.149) 2.345 16.383 ( 8.570 3.312 19.193) 21.279 16.641 ( 3.101 -3.798 -0.691) 4.952 17.199 ( -6.238 0.872 4.420) 7.694 17.594 ( -0.663 1.183 8.149) 8.261 17.736 ( -1.629 1.463 9.485) 9.734 19.084 ( -1.162 -3.507 2.506) 4.464 19.236 ( -5.179 2.479 0.625) 5.776 20.492 ( 11.664 7.733 -7.344) 15.805 22.355 ( -7.615 -5.534 -6.495) 11.437======================= Grid point 245 (85/116) =======================q-point: (-0.20 0.30 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.516 ( -16.134 -9.590 12.940) 22.797 2.617 ( -16.165 -14.305 13.192) 25.298 3.255 ( -9.428 -5.967 -1.246) 11.227 3.481 ( -6.617 1.723 10.125) 12.218 3.712 ( -3.764 -5.495 1.816) 6.904 3.843 ( -4.817 4.064 1.531) 6.486 5.980 ( -32.958 -14.297 15.418) 39.094 6.104 ( 10.672 1.018 11.539) 15.750 6.888 ( 2.778 9.054 -23.523) 25.358 8.071 ( 11.967 0.521 -6.183) 13.480 8.514 ( 21.780 17.878 5.768) 28.763 9.003 ( 10.965 -0.649 13.042) 17.052 9.183 ( -6.455 1.216 0.893) 6.629 9.561 ( 0.263 -6.086 -6.694) 9.051 10.144 ( 7.247 14.181 -16.213) 22.727 11.077 ( 8.143 -10.059 -3.887) 13.513 11.259 ( 1.841 1.771 -2.344) 3.467 11.457 ( 10.026 8.436 10.125) 16.559 11.777 ( 3.500 4.034 -8.683) 10.194 12.078 ( -6.400 -5.747 13.277) 15.820 12.232 ( -7.493 4.839 4.510) 9.995 12.963 ( 1.015 -2.193 6.615) 7.042 13.028 ( 2.702 3.236 6.962) 8.139 13.207 ( -11.242 -7.030 10.111) 16.675 13.678 ( 1.421 -1.479 -3.699) 4.229 14.157 ( -1.898 1.506 0.685) 2.518 14.514 ( -0.539 3.093 -4.916) 5.833 14.739 ( -2.236 -2.381 -18.640) 18.924 14.893 ( 1.156 1.592 -41.067) 41.115 15.307 ( 2.407 -2.414 5.981) 6.884 15.428 ( -3.657 0.764 10.614) 11.252 15.941 ( 4.272 -1.204 -8.332) 9.441 16.038 ( -3.137 -1.106 -8.432) 9.064 16.717 ( 8.856 -2.097 0.751) 9.132 16.796 ( 7.046 0.465 20.018) 21.227 17.024 ( -11.969 3.355 -6.563) 14.056 17.807 ( 4.056 3.420 11.601) 12.757 17.854 ( -0.317 -0.379 8.526) 8.540 19.058 ( -6.264 -4.412 3.645) 8.485 19.193 ( -6.427 1.548 1.548) 6.790 20.616 ( 13.838 6.707 -5.022) 16.177 22.154 ( -5.204 -3.822 -4.886) 8.097======================= Grid point 251 (86/116) =======================q-point: ( 0.40 -0.60 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 282Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.650 ( 0.000 -4.785 0.401) 4.802 3.006 ( -0.000 -0.388 8.960) 8.969 3.463 ( -0.000 9.944 3.076) 10.409 3.649 ( -0.000 -0.677 3.114) 3.187 3.835 ( -0.000 5.406 -0.075) 5.407 4.169 ( 0.000 -6.813 -4.648) 8.247 5.533 ( 0.000 -22.642 2.195) 22.748 6.879 ( -0.000 15.526 18.937) 24.488 6.981 ( -0.000 25.334 6.303) 26.106 7.817 ( 0.000 1.110 -24.692) 24.717 7.950 ( 0.000 3.939 -15.814) 16.297 8.161 ( 0.000 -15.023 -1.746) 15.125 9.196 ( 0.000 9.241 -5.262) 10.634 10.346 ( 0.000 -25.215 -5.225) 25.751 10.384 ( -0.000 -11.318 14.124) 18.099 10.403 ( 0.000 -0.092 -10.244) 10.244 11.127 ( 0.000 -4.166 -10.004) 10.837 11.471 ( -0.000 -2.497 1.582) 2.956 11.813 ( 0.000 14.046 -6.908) 15.653 11.990 ( -0.000 -6.100 6.067) 8.603 12.511 ( -0.000 7.587 1.185) 7.679 12.624 ( 0.000 3.435 -2.005) 3.978 13.131 ( 0.000 -4.247 -2.053) 4.717 13.357 ( 0.000 11.663 -5.294) 12.808 13.606 ( -0.000 0.228 3.993) 3.999 13.676 ( -0.000 6.031 2.511) 6.533 14.958 ( -0.000 -4.339 4.374) 6.161 15.061 ( -0.000 -4.089 17.691) 18.157 15.209 ( -0.000 -7.301 3.101) 7.932 15.563 ( -0.000 1.414 9.008) 9.118 15.617 ( 0.000 -2.505 -11.841) 12.103 15.881 ( 0.000 10.109 -8.533) 13.229 16.220 ( 0.000 -5.313 -11.841) 12.978 16.420 ( -0.000 0.854 3.843) 3.937 16.501 ( -0.000 3.966 8.549) 9.424 17.014 ( 0.000 -14.893 -4.391) 15.526 17.338 ( -0.000 4.838 4.844) 6.846 17.783 ( -0.000 10.280 -1.450) 10.382 19.131 ( 0.000 -5.284 -3.726) 6.466 19.317 ( 0.000 3.607 -1.065) 3.761 20.378 ( 0.000 6.586 -10.902) 12.737 22.800 ( 0.000 -7.368 0.047) 7.368======================= Grid point 253 (87/116) =======================q-point: (-0.50 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.650 ( -2.311 -5.123 6.581) 8.655 3.061 ( -8.479 -0.342 7.892) 11.589 3.575 ( 3.339 4.370 0.338) 5.510 3.680 ( -0.725 -0.698 3.074) 3.235 3.880 ( 2.924 4.878 -1.510) 5.884 4.005 ( -6.672 -4.727 -5.816) 10.034 5.469 ( 3.337 -17.676 6.820) 19.238 7.180 ( -6.978 16.658 15.736) 23.954 7.287 ( 5.384 18.909 -2.112) 19.773 7.518 ( 0.570 2.053 -16.579) 16.716 7.829 ( 4.038 6.347 -10.370) 12.811 8.012 ( -9.520 -6.334 7.692) 13.781 9.274 ( 16.073 -4.132 -6.927) 17.983 9.996 ( -9.139 -17.288 -2.294) 19.689 10.364 ( 0.139 7.002 -5.877) 9.143 10.477 ( 4.369 -14.793 7.220) 17.031 10.994 ( -0.435 0.794 -5.198) 5.276 11.449 ( -1.515 -4.870 -0.726) 5.152 11.793 ( 0.783 10.664 -8.580) 13.710 12.056 ( -4.029 -3.205 11.574) 12.667 12.462 ( -1.602 0.956 -5.476) 5.785 12.747 ( 0.118 7.499 7.157) 10.367 13.072 ( 4.237 -5.626 -3.057) 7.678 13.356 ( 0.250 8.855 -7.227) 11.433 13.588 ( -5.138 2.922 3.141) 6.693 13.852 ( 9.439 6.391 1.449) 11.491 14.935 ( -6.470 -4.373 -0.804) 7.851 15.116 ( 3.158 -5.246 -8.036) 10.103 15.180 ( -2.571 -8.951 8.137) 12.367 15.497 ( -2.928 -1.772 -1.856) 3.894 15.676 ( 2.517 4.200 -6.327) 8.000 15.868 ( 4.161 5.961 0.142) 7.271 16.086 ( 0.042 0.709 -4.764) 4.817 16.156 ( 1.528 1.138 -18.823) 18.919 16.813 ( -1.750 -11.199 2.957) 11.714 16.956 ( -0.909 -0.615 22.534) 22.560 17.496 ( 1.948 2.913 10.400) 10.975 17.806 ( -2.483 7.476 -2.640) 8.308 19.057 ( 0.911 -4.064 -1.953) 4.600 19.325 ( -1.151 5.127 -0.966) 5.343 20.297 ( 2.859 8.377 -10.754) 13.928 22.700 ( -3.037 -7.544 -3.970) 9.050======================= Grid point 254 (88/116) =======================q-point: (-0.40 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 504Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.698 ( -5.097 -5.772 12.081) 14.327 3.040 ( -10.243 -2.909 7.753) 13.172 3.593 ( -0.586 -0.233 -0.952) 1.142 3.687 ( -2.991 -3.547 -0.137) 4.642 3.812 ( -7.582 0.180 -2.385) 7.950 3.931 ( 3.160 3.034 -2.891) 5.248 5.559 ( 7.384 -10.194 10.611) 16.464 7.079 ( -7.925 3.558 -13.989) 16.467 7.274 ( -21.009 -8.355 -0.696) 22.620 7.596 ( 9.982 24.006 6.818) 26.878 7.820 ( 3.703 6.947 -3.862) 8.768 8.252 ( 11.322 11.278 15.903) 22.545 9.182 ( 10.667 -15.771 -16.536) 25.218 9.861 ( -7.054 -6.973 1.745) 10.071 10.329 ( -3.553 9.153 -4.786) 10.923 10.569 ( 12.422 -8.446 7.457) 16.771 10.997 ( 3.881 5.194 -1.070) 6.571 11.352 ( -2.792 -8.205 -1.629) 8.819 11.757 ( 1.572 9.737 -8.961) 13.326 12.170 ( -7.008 -2.237 17.259) 18.762 12.390 ( -1.796 0.141 -2.373) 2.980 12.814 ( -1.518 0.811 0.736) 1.872 13.127 ( 3.589 -1.976 4.171) 5.846 13.308 ( -1.349 6.696 -3.139) 7.517 13.604 ( 0.524 1.672 -0.191) 1.762 14.010 ( 6.776 7.740 0.041) 10.286 14.699 ( -3.603 -1.021 -17.490) 17.886 15.021 ( -0.124 -4.388 -6.368) 7.734 15.185 ( -1.686 -7.183 6.812) 10.042 15.389 ( 2.720 5.128 -36.809) 37.264 15.468 ( -5.736 -5.034 8.598) 11.497 15.929 ( 2.579 -1.518 -5.988) 6.694 16.110 ( 3.605 4.220 -0.766) 5.603 16.200 ( 6.726 2.812 16.019) 17.600 16.645 ( -2.332 -12.567 -5.372) 13.865 17.285 ( -1.612 2.543 18.544) 18.787 17.639 ( -1.568 2.003 4.187) 4.899 17.793 ( -2.730 4.589 3.291) 6.273 19.060 ( 2.188 -1.982 2.727) 4.020 19.332 ( -2.604 4.518 -0.011) 5.215 20.272 ( 6.005 9.940 -9.717) 15.143 22.519 ( -5.216 -7.203 -6.879) 11.244======================= Grid point 255 (89/116) =======================q-point: (-0.30 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.772 ( -7.593 -6.156 15.399) 18.240 2.981 ( -10.941 -8.112 6.825) 15.234 3.483 ( -7.803 -7.262 -7.569) 13.073 3.588 ( -3.932 -0.162 3.137) 5.033 3.786 ( -1.749 1.858 1.236) 2.835 3.923 ( -0.704 1.969 -1.860) 2.798 5.790 ( 10.394 -4.400 13.633) 17.699 6.818 ( -9.091 4.186 -11.772) 15.451 6.909 ( -24.171 -10.062 -0.591) 26.188 7.810 ( 9.238 1.572 -5.005) 10.624 8.088 ( 10.533 24.004 11.155) 28.488 8.705 ( 12.633 7.036 14.462) 20.451 9.027 ( 14.552 1.497 -15.021) 20.967 9.665 ( -9.133 -10.744 -4.907) 14.931 10.240 ( -8.425 5.435 -4.632) 11.044 10.826 ( 12.620 -4.454 5.609) 14.511 11.111 ( 8.644 5.881 -0.073) 10.455 11.285 ( 1.699 -3.503 3.696) 5.368 11.717 ( 1.730 8.650 -9.160) 12.717 12.299 ( -9.644 -5.616 15.716) 19.275 12.358 ( -2.770 2.536 2.005) 4.257 12.832 ( 3.776 -0.530 2.120) 4.363 13.137 ( -5.227 0.417 4.291) 6.775 13.385 ( -2.209 1.187 8.274) 8.646 13.612 ( 3.047 -0.044 -1.989) 3.639 14.132 ( 3.800 7.935 0.417) 8.808 14.412 ( 4.099 -0.235 -23.000) 23.364 14.824 ( 0.868 -1.288 -31.388) 31.426 14.941 ( -6.858 0.748 -9.064) 11.391 15.260 ( 0.877 -1.436 5.083) 5.354 15.515 ( -3.403 -6.460 11.944) 13.999 15.851 ( 3.142 -0.068 -9.363) 9.876 16.109 ( -1.928 -0.081 -5.811) 6.123 16.514 ( 5.751 -6.186 -1.809) 8.638 16.588 ( 9.519 0.235 19.374) 21.588 17.322 ( -11.403 3.358 -4.098) 12.574 17.734 ( 2.131 3.175 9.691) 10.418 17.884 ( -1.534 1.473 7.266) 7.571 19.134 ( 0.327 -1.825 6.063) 6.340 19.316 ( -3.857 2.752 -0.339) 4.750 20.320 ( 9.368 10.326 -7.024) 15.612 22.300 ( -5.999 -6.211 -7.077) 11.164======================= Grid point 256 (90/116) =======================q-point: (-0.20 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 504Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.766 ( -16.979 -12.600 2.988) 21.353 2.880 ( -8.984 -10.494 16.648) 21.634 3.248 ( -5.031 -6.189 -6.081) 10.030 3.588 ( -1.824 -5.546 2.698) 6.431 3.802 ( -2.062 5.668 2.827) 6.661 3.931 ( -0.938 4.382 1.140) 4.624 6.076 ( 10.204 -4.160 9.409) 14.489 6.534 ( -32.697 -13.443 11.416) 37.151 6.651 ( 3.111 14.722 -15.115) 21.328 7.842 ( 9.927 -5.177 -4.783) 12.174 8.526 ( 12.438 20.858 6.339) 25.098 8.928 ( 12.554 0.076 -1.849) 12.689 9.259 ( 10.253 13.136 5.444) 17.531 9.426 ( -0.005 -6.764 -4.408) 8.074 10.094 ( -9.341 6.521 -5.855) 12.809 10.872 ( 5.228 -11.736 -1.870) 12.983 11.207 ( 4.101 2.706 -1.256) 5.072 11.522 ( 11.053 6.866 10.177) 16.519 11.665 ( 1.468 9.045 -9.719) 13.358 12.250 ( -9.552 -8.737 4.808) 13.809 12.393 ( -3.483 4.050 2.871) 6.064 12.973 ( 7.968 1.585 4.709) 9.391 13.228 ( -4.647 -0.414 16.285) 16.941 13.422 ( -7.381 -6.684 11.420) 15.152 13.637 ( -0.368 0.092 2.456) 2.485 14.147 ( 5.470 -2.188 -21.514) 22.306 14.236 ( 1.774 9.199 -0.030) 9.368 14.302 ( 2.245 0.203 -39.891) 39.954 14.859 ( -10.260 -0.801 7.051) 12.475 15.331 ( 1.996 -1.257 3.136) 3.924 15.611 ( 0.559 -3.892 8.015) 8.928 15.746 ( 0.296 -1.487 -6.893) 7.058 15.950 ( -2.521 0.752 -9.027) 9.403 16.578 ( 9.202 1.278 -2.546) 9.633 16.933 ( 3.347 -1.842 9.416) 10.161 17.128 ( -6.578 3.620 -0.152) 7.510 17.914 ( 3.038 4.075 5.975) 7.845 17.950 ( -1.004 -1.193 4.633) 4.888 19.156 ( -5.690 -5.737 4.222) 9.117 19.291 ( -3.156 5.060 0.174) 5.966 20.445 ( 11.859 7.511 -3.283) 14.416 22.122 ( -3.871 -4.314 -3.168) 6.605======================= Grid point 263 (91/116) =======================q-point: (-0.50 0.50 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.757 ( 0.000 -4.318 11.262) 12.061 3.191 ( 0.000 -4.121 5.347) 6.751 3.565 ( 0.000 2.815 -2.720) 3.914 3.717 ( -0.000 -1.345 2.683) 3.002 3.872 ( 0.000 4.894 -1.899) 5.250 3.936 ( 0.000 -0.426 -6.771) 6.784 5.459 ( 0.000 -15.245 12.201) 19.526 7.117 ( 0.000 5.695 -22.517) 23.226 7.481 ( 0.000 9.035 1.887) 9.231 7.560 ( 0.000 19.350 3.543) 19.672 7.840 ( 0.000 15.882 7.208) 17.441 8.158 ( 0.000 -7.859 13.256) 15.411 8.964 ( 0.000 -13.898 -14.185) 19.858 9.963 ( 0.000 -9.171 4.208) 10.090 10.366 ( 0.000 11.311 -2.135) 11.511 10.415 ( 0.000 -15.970 2.778) 16.210 10.947 ( 0.000 2.599 -1.937) 3.241 11.412 ( 0.000 -6.376 -1.577) 6.569 11.739 ( 0.000 12.306 -9.844) 15.759 12.266 ( 0.000 -3.173 17.834) 18.114 12.395 ( 0.000 -2.341 -3.475) 4.190 12.921 ( -0.000 -3.693 -6.787) 7.726 12.951 ( 0.000 9.240 11.131) 14.467 13.333 ( 0.000 7.441 -4.788) 8.849 13.626 ( 0.000 -0.864 -1.813) 2.009 13.904 ( 0.000 11.458 3.238) 11.907 14.751 ( 0.000 -2.804 -26.465) 26.613 15.020 ( 0.000 -4.919 5.043) 7.045 15.213 ( 0.000 -10.909 5.145) 12.062 15.347 ( 0.000 7.378 -36.518) 37.256 15.564 ( 0.000 -5.517 7.815) 9.566 15.886 ( 0.000 -3.503 -4.800) 5.942 16.063 ( 0.000 4.029 9.745) 10.545 16.103 ( 0.000 5.794 2.236) 6.211 16.683 ( 0.000 -15.278 -6.377) 16.556 17.304 ( 0.000 2.096 22.187) 22.286 17.654 ( 0.000 3.732 7.439) 8.323 17.834 ( 0.000 5.618 -0.950) 5.698 19.025 ( 0.000 -0.995 1.069) 1.461 19.364 ( 0.000 4.684 0.235) 4.689 20.200 ( 0.000 11.109 -10.182) 15.069 22.586 ( 0.000 -7.847 -6.909) 10.455======================= Grid point 265 (92/116) =======================q-point: (-0.40 0.50 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.890 ( -2.211 -4.021 13.536) 14.293 3.174 ( -4.684 -8.392 3.753) 10.318 3.521 ( 1.339 -1.525 -5.951) 6.287 3.716 ( -3.063 -1.549 0.002) 3.432 3.842 ( -2.773 3.309 -3.726) 5.702 3.893 ( 1.838 3.529 -1.715) 4.333 5.601 ( 4.376 -8.958 16.357) 19.156 6.845 ( -0.608 5.424 -21.196) 21.887 7.447 ( -5.507 -7.498 -3.001) 9.775 7.677 ( -2.703 13.077 -0.335) 13.358 8.080 ( -8.424 17.821 16.359) 25.616 8.421 ( 9.479 9.481 15.632) 20.594 8.706 ( 9.992 -10.348 -17.752) 22.848 9.888 ( -7.287 -6.310 -3.825) 10.370 10.335 ( 2.614 -12.148 -1.609) 12.530 10.541 ( 5.781 11.329 10.470) 16.474 10.987 ( 2.120 5.424 1.130) 5.932 11.317 ( -2.607 -8.120 -1.001) 8.587 11.692 ( 0.281 12.496 -10.009) 16.013 12.358 ( 1.465 -3.677 0.159) 3.961 12.491 ( -4.563 -4.085 20.397) 21.297 12.800 ( -0.741 -0.604 -4.723) 4.818 13.205 ( 1.471 5.241 11.385) 12.619 13.339 ( 0.953 7.459 0.915) 7.575 13.587 ( 0.161 -1.683 -1.829) 2.491 14.031 ( 2.865 11.586 -0.067) 11.935 14.364 ( 0.445 -1.679 -25.531) 25.590 14.789 ( 1.107 0.040 -38.352) 38.368 15.091 ( -4.446 -0.478 1.972) 4.887 15.235 ( 1.556 -6.441 6.436) 9.238 15.604 ( -2.997 -7.527 7.733) 11.200 15.770 ( 2.666 0.665 -10.491) 10.845 16.168 ( -3.947 4.644 4.567) 7.616 16.351 ( 8.618 -2.831 17.952) 20.114 16.461 ( 0.313 -11.235 -9.370) 14.633 17.544 ( -5.957 3.139 8.104) 10.536 17.691 ( 1.635 4.003 -0.032) 4.324 17.913 ( -0.661 3.266 6.524) 7.326 19.079 ( 2.481 1.413 4.044) 4.950 19.383 ( -1.465 0.771 0.426) 1.709 20.179 ( 2.522 14.119 -7.766) 16.310 22.411 ( -2.591 -7.503 -7.540) 10.948======================= Grid point 266 (93/116) =======================q-point: (-0.30 0.50 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.994 ( -4.204 -6.429 8.912) 11.765 3.089 ( -6.315 -11.248 6.429) 14.413 3.377 ( -3.176 -7.007 -9.750) 12.420 3.655 ( -3.484 0.406 -0.225) 3.515 3.815 ( -0.570 2.825 -1.407) 3.207 3.917 ( 1.710 2.832 -0.704) 3.382 5.871 ( 6.321 -3.804 17.829) 19.295 6.604 ( 0.130 9.015 -19.079) 21.102 7.171 ( -15.070 -20.036 -1.435) 25.111 7.715 ( -0.619 3.704 -0.297) 3.767 8.376 ( -0.747 20.371 13.065) 24.213 8.604 ( 12.892 0.096 -9.171) 15.822 8.859 ( 13.322 22.815 7.664) 27.509 9.634 ( -10.232 -8.162 -7.270) 14.972 10.252 ( 0.895 -8.944 -2.911) 9.448 10.806 ( 1.088 1.382 7.020) 7.237 11.080 ( 3.292 6.902 0.920) 7.702 11.307 ( 4.990 -0.536 7.148) 8.734 11.641 ( 0.479 11.137 -9.863) 14.884 12.373 ( 1.057 -4.361 3.085) 5.446 12.528 ( -7.661 -7.204 1.279) 10.594 12.848 ( 2.254 3.922 6.428) 7.860 13.342 ( -4.673 1.706 15.009) 15.812 13.532 ( -0.913 0.626 7.651) 7.730 13.581 ( 3.961 1.819 6.586) 7.898 14.027 ( 3.667 1.030 -21.409) 21.745 14.158 ( 3.363 7.192 -1.744) 8.129 14.253 ( 1.766 0.524 -38.965) 39.009 15.063 ( -6.173 -2.364 4.090) 7.773 15.298 ( 0.992 -0.527 3.097) 3.295 15.589 ( -1.373 -5.999 -0.544) 6.178 15.731 ( 2.829 -1.090 2.504) 3.931 16.072 ( -6.324 -8.016 -6.660) 12.191 16.388 ( 4.635 4.139 -0.432) 6.229 16.716 ( 10.798 -3.638 17.984) 21.289 17.393 ( -11.146 4.828 -10.822) 16.269 17.838 ( 3.280 3.204 6.623) 8.055 17.986 ( -1.440 1.401 3.019) 3.626 19.195 ( 2.995 0.569 5.368) 6.173 19.342 ( -2.300 -2.078 -1.895) 3.633 20.242 ( 4.452 14.527 -4.012) 15.714 22.229 ( -3.963 -6.409 -5.067) 9.081======================= Grid point 267 (94/116) =======================q-point: (-0.20 -0.50 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 255Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.843 ( -10.883 -18.850 0.000) 21.766 3.111 ( -5.344 -9.257 -0.000) 10.689 3.125 ( -2.884 -4.994 0.000) 5.767 3.594 ( -4.076 -7.060 0.000) 8.152 3.858 ( 4.189 7.256 0.000) 8.379 3.958 ( 1.973 3.417 -0.000) 3.946 6.059 ( -0.729 -1.263 -0.000) 1.458 6.559 ( 7.280 12.609 0.000) 14.559 6.835 ( -11.957 -20.709 0.000) 23.913 7.694 ( -1.979 -3.428 0.000) 3.958 8.632 ( 7.719 13.370 -0.000) 15.438 8.759 ( 9.130 15.814 0.000) 18.260 9.271 ( 15.745 27.271 0.000) 31.489 9.380 ( -7.969 -13.802 -0.000) 15.937 10.163 ( -2.831 -4.903 0.000) 5.662 10.773 ( -4.170 -7.223 0.000) 8.340 11.180 ( 2.855 4.945 -0.000) 5.710 11.563 ( 4.727 8.187 0.000) 9.454 11.607 ( 5.942 10.292 0.000) 11.884 12.315 ( -7.047 -12.206 0.000) 14.094 12.445 ( 1.131 1.959 -0.000) 2.262 12.959 ( 2.528 4.378 0.000) 5.056 13.379 ( -5.020 -8.695 0.000) 10.041 13.727 ( 0.091 0.157 0.000) 0.181 13.783 ( -0.059 -0.103 0.000) 0.118 13.803 ( -1.263 -2.188 -0.000) 2.526 13.808 ( 1.751 3.033 0.000) 3.502 14.274 ( 4.975 8.616 0.000) 9.949 15.003 ( -3.387 -5.867 -0.000) 6.774 15.334 ( -0.085 -0.148 0.000) 0.170 15.533 ( -0.117 -0.202 0.000) 0.234 15.824 ( 0.305 0.527 0.000) 0.609 15.863 ( -3.057 -5.295 -0.000) 6.114 16.496 ( 4.377 7.581 0.000) 8.753 16.969 ( -0.310 -0.537 0.000) 0.620 17.185 ( -0.029 -0.051 -0.000) 0.059 17.952 ( 2.536 4.392 0.000) 5.071 17.985 ( -0.953 -1.650 0.000) 1.905 19.205 ( -4.594 -7.957 -0.000) 9.188 19.332 ( 2.800 4.850 0.000) 5.600 20.371 ( 6.116 10.594 0.000) 12.233 22.108 ( -2.804 -4.857 -0.000) 5.608======================= Grid point 276 (95/116) =======================q-point: (-0.40 -0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 282Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.039 ( -0.000 -7.551 8.754) 11.561 3.168 ( -0.000 -9.552 3.937) 10.331 3.391 ( 0.000 -3.988 -8.819) 9.678 3.715 ( 0.000 1.080 -2.940) 3.132 3.846 ( 0.000 1.845 -1.174) 2.187 3.873 ( 0.000 2.756 -2.251) 3.558 5.790 ( -0.000 -4.186 21.048) 21.460 6.614 ( 0.000 6.607 -18.952) 20.071 7.292 ( 0.000 -19.582 -9.111) 21.597 7.789 ( -0.000 9.951 -0.067) 9.951 8.339 ( 0.000 -0.035 -8.622) 8.622 8.596 ( -0.000 5.117 15.578) 16.397 8.600 ( -0.000 32.281 9.538) 33.661 9.827 ( 0.000 -3.953 -7.739) 8.690 10.134 ( 0.000 -18.234 -4.771) 18.848 10.778 ( -0.000 13.666 11.068) 17.586 11.079 ( -0.000 7.907 7.699) 11.036 11.261 ( 0.000 -8.741 -0.061) 8.741 11.641 ( 0.000 13.167 -10.514) 16.850 12.332 ( -0.000 -6.515 3.260) 7.285 12.630 ( 0.000 -8.524 -3.025) 9.045 12.836 ( -0.000 4.327 10.905) 11.732 13.441 ( -0.000 3.984 12.284) 12.913 13.463 ( -0.000 6.855 17.403) 18.704 13.546 ( 0.000 -0.311 -1.834) 1.860 13.983 ( 0.000 2.050 -18.911) 19.022 14.114 ( 0.000 6.147 -4.286) 7.493 14.228 ( 0.000 0.500 -39.415) 39.419 15.144 ( 0.000 -4.063 -0.891) 4.159 15.284 ( -0.000 -3.019 7.667) 8.240 15.641 ( 0.000 4.073 -5.462) 6.814 15.658 ( -0.000 -7.398 6.395) 9.779 16.173 ( 0.000 -17.501 -10.786) 20.557 16.369 ( -0.000 9.518 7.476) 12.103 16.523 ( -0.000 -3.718 16.952) 17.355 17.565 ( 0.000 4.822 -13.541) 14.374 17.773 ( -0.000 2.824 8.911) 9.348 18.006 ( -0.000 2.594 2.595) 3.669 19.130 ( -0.000 2.737 3.476) 4.424 19.377 ( 0.000 -4.844 -0.759) 4.903 20.197 ( -0.000 17.786 -4.023) 18.235 22.282 ( 0.000 -7.080 -5.451) 8.935======================= Grid point 277 (96/116) =======================q-point: (-0.30 -0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.963 ( -1.233 -16.356 -2.598) 16.607 3.196 ( -2.119 -6.697 -10.008) 12.228 3.223 ( -2.099 -7.658 7.549) 10.956 3.667 ( -1.140 1.411 -3.529) 3.968 3.813 ( -1.742 -0.261 -1.775) 2.501 3.889 ( 3.423 1.367 -1.240) 3.889 6.088 ( -0.765 -0.005 19.914) 19.929 6.428 ( 2.381 9.909 -14.190) 17.470 6.936 ( 0.047 -33.061 -13.037) 35.539 7.832 ( -4.703 8.151 1.929) 9.606 8.345 ( 9.107 16.705 -7.555) 20.471 8.792 ( -5.719 12.366 13.002) 18.832 9.015 ( 6.109 29.019 5.350) 30.133 9.608 ( -10.750 -8.240 -4.944) 14.419 10.023 ( 11.294 -15.370 -3.948) 19.478 10.947 ( -3.721 6.348 3.814) 8.288 11.157 ( -4.722 0.924 2.671) 5.503 11.372 ( 7.293 5.153 12.287) 15.189 11.582 ( -0.076 11.979 -10.461) 15.904 12.351 ( 2.552 -7.472 3.020) 8.453 12.467 ( -2.167 -7.712 -7.575) 11.025 12.962 ( -1.606 6.167 2.591) 6.879 13.472 ( -2.159 -3.810 -6.519) 7.854 13.685 ( 2.422 -2.133 -11.636) 12.075 13.715 ( 1.421 2.070 -8.153) 8.530 13.816 ( -0.269 0.972 18.285) 18.313 13.837 ( -0.423 6.139 10.411) 12.093 14.147 ( 3.650 6.515 -2.124) 7.764 15.019 ( 0.656 -8.406 -8.944) 12.291 15.351 ( -1.441 2.214 2.201) 3.438 15.634 ( -5.459 1.522 5.759) 8.080 15.771 ( 4.367 -1.133 9.015) 10.081 15.894 ( -0.402 -13.440 -11.169) 17.480 16.501 ( -4.249 9.024 6.305) 11.800 16.785 ( 9.161 -6.026 15.010) 18.589 17.334 ( -5.788 4.779 -17.911) 19.420 17.886 ( 2.103 3.553 1.645) 4.444 18.015 ( -0.864 0.920 -2.200) 2.537 19.210 ( 3.801 1.197 2.256) 4.579 19.293 ( -1.474 -7.463 -3.429) 8.345 20.301 ( 0.668 17.679 -0.151) 17.692 22.174 ( -1.824 -6.217 -1.291) 6.606======================= Grid point 287 (97/116) =======================q-point: (-0.30 -0.30 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.774 ( 0.000 -19.342 -6.609) 20.440 2.964 ( 0.000 -11.402 -14.412) 18.377 3.287 ( -0.000 -8.373 5.147) 9.829 3.599 ( 0.000 -0.900 -7.137) 7.194 3.814 ( 0.000 -0.168 -3.324) 3.328 3.819 ( 0.000 -4.532 -0.006) 4.532 6.251 ( 0.000 11.164 -15.923) 19.446 6.440 ( -0.000 -13.908 3.372) 14.311 6.473 ( -0.000 -21.118 5.793) 21.898 7.961 ( -0.000 10.530 3.354) 11.051 8.361 ( -0.000 26.128 -5.418) 26.684 9.038 ( -0.000 6.367 9.178) 11.170 9.158 ( 0.000 22.578 -11.294) 25.245 9.716 ( 0.000 -20.566 -2.931) 20.774 9.754 ( -0.000 6.820 12.928) 14.617 11.077 ( -0.000 9.920 2.769) 10.300 11.204 ( -0.000 -5.120 2.998) 5.933 11.515 ( 0.000 11.354 -10.869) 15.718 11.563 ( -0.000 7.753 12.941) 15.086 12.282 ( 0.000 -7.299 -4.154) 8.398 12.312 ( 0.000 -8.399 -7.262) 11.103 13.024 ( 0.000 8.464 -2.680) 8.878 13.198 ( 0.000 -3.371 -20.602) 20.876 13.449 ( 0.000 -8.364 -13.081) 15.526 13.635 ( -0.000 1.792 1.514) 2.346 14.124 ( -0.000 2.969 -0.573) 3.024 14.204 ( -0.000 7.861 25.653) 26.830 14.308 ( -0.000 1.550 39.074) 39.105 14.796 ( 0.000 -10.932 -9.787) 14.673 15.375 ( 0.000 3.929 -3.417) 5.207 15.632 ( 0.000 -9.805 -12.684) 16.032 15.826 ( -0.000 6.431 7.321) 9.745 15.878 ( -0.000 -4.959 14.742) 15.553 16.687 ( -0.000 9.990 3.510) 10.589 16.858 ( -0.000 -10.100 13.542) 16.894 17.111 ( 0.000 4.983 -22.924) 23.459 17.880 ( 0.000 4.491 -4.870) 6.625 17.963 ( 0.000 0.139 -6.285) 6.286 19.185 ( 0.000 -8.707 -4.799) 9.942 19.198 ( 0.000 -1.499 -0.028) 1.500 20.447 ( -0.000 17.716 3.025) 17.973 22.151 ( -0.000 -6.114 2.480) 6.598======================= Grid point 344 (98/116) =======================q-point: ( 0.30 0.30 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 110Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.765 ( 0.000 0.000 -5.547) 5.547 3.050 ( -0.000 0.000 8.094) 8.094 3.050 ( -0.000 -0.000 8.094) 8.094 3.668 ( -0.000 -0.000 3.250) 3.250 3.668 ( -0.000 -0.000 3.250) 3.250 4.341 ( 0.000 0.000 -0.975) 0.975 6.225 ( 0.000 0.000 -1.069) 1.069 6.225 ( 0.000 -0.000 -1.069) 1.069 6.350 ( -0.000 -0.000 21.734) 21.734 8.146 ( 0.000 0.000 -22.348) 22.348 8.146 ( 0.000 0.000 -22.348) 22.348 8.798 ( 0.000 0.000 -8.629) 8.629 8.798 ( 0.000 0.000 -8.629) 8.629 10.300 ( -0.000 -0.000 23.117) 23.117 10.395 ( 0.000 0.000 -5.135) 5.135 11.312 ( 0.000 0.000 -9.789) 9.789 11.312 ( 0.000 0.000 -9.789) 9.789 11.375 ( 0.000 0.000 -19.876) 19.876 11.578 ( -0.000 -0.000 5.780) 5.780 12.165 ( -0.000 0.000 4.015) 4.015 12.165 ( 0.000 -0.000 4.015) 4.015 12.860 ( 0.000 -0.000 -3.005) 3.005 12.860 ( 0.000 -0.000 -3.005) 3.005 13.455 ( 0.000 0.000 -1.185) 1.185 13.495 ( -0.000 0.000 2.687) 2.687 13.495 ( -0.000 -0.000 2.687) 2.687 14.763 ( -0.000 -0.000 29.808) 29.808 14.926 ( -0.000 -0.000 8.329) 8.329 15.344 ( -0.000 0.000 4.909) 4.909 15.344 ( -0.000 -0.000 4.909) 4.909 15.889 ( 0.000 0.000 -12.437) 12.437 15.889 ( 0.000 0.000 -12.437) 12.437 15.935 ( -0.000 -0.000 38.068) 38.068 16.562 ( 0.000 0.000 -11.007) 11.007 16.562 ( 0.000 0.000 -11.007) 11.007 17.215 ( 0.000 0.000 -0.166) 0.166 17.491 ( 0.000 0.000 -7.534) 7.534 17.491 ( 0.000 0.000 -7.534) 7.534 19.269 ( 0.000 0.000 -0.279) 0.279 19.269 ( 0.000 -0.000 -0.279) 0.279 20.441 ( 0.000 0.000 -12.253) 12.253 22.895 ( -0.000 -0.000 3.709) 3.709======================= Grid point 345 (99/116) =======================q-point: (-0.60 0.30 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.708 ( -2.200 -1.270 0.228) 2.551 2.999 ( -9.254 -5.343 8.342) 13.557 3.338 ( 12.508 7.221 4.922) 15.258 3.659 ( -2.749 -1.587 3.691) 4.868 3.773 ( 4.665 2.693 0.744) 5.437 4.248 ( -6.341 -3.661 -4.974) 8.852 5.917 ( -17.007 -9.819 1.973) 19.737 6.530 ( 11.760 6.789 9.101) 16.346 6.749 ( 15.167 8.757 14.421) 22.686 7.804 ( -0.981 -0.566 -23.328) 23.356 7.904 ( 5.340 3.083 -19.404) 20.360 8.346 ( -24.549 -14.174 -2.496) 28.457 9.077 ( 22.684 13.097 -2.212) 26.287 10.341 ( 1.961 1.132 -5.545) 5.990 10.485 ( -13.261 -7.656 13.222) 20.231 10.894 ( -13.436 -7.757 -7.504) 17.233 11.055 ( -3.933 -2.271 -15.867) 16.505 11.464 ( 16.529 9.543 -11.257) 22.158 11.636 ( -2.319 -1.339 4.408) 5.157 12.101 ( -8.017 -4.629 6.175) 11.128 12.385 ( 8.271 4.775 6.582) 11.599 12.633 ( -8.866 -5.119 -1.785) 10.392 13.072 ( 16.741 9.665 -3.904) 19.721 13.342 ( -5.773 -3.333 -2.923) 7.279 13.467 ( -4.368 -2.522 1.992) 5.422 13.678 ( 11.376 6.568 0.941) 13.170 15.008 ( -2.589 -1.495 5.466) 6.230 15.110 ( -2.554 -1.475 21.400) 21.602 15.316 ( -8.068 -4.658 6.081) 11.125 15.536 ( 3.746 2.163 11.298) 12.098 15.673 ( 0.244 0.141 -16.987) 16.990 15.732 ( 4.086 2.359 -12.943) 13.776 16.299 ( -3.224 -1.862 -15.041) 15.495 16.401 ( 2.536 1.464 -19.175) 19.397 16.447 ( 1.131 0.653 33.187) 33.213 17.209 ( -9.711 -5.607 -2.228) 11.433 17.326 ( 1.397 0.807 6.484) 6.681 17.587 ( 8.356 4.825 -2.604) 9.994 19.212 ( -1.839 -1.062 -3.822) 4.373 19.265 ( 0.407 0.235 -1.843) 1.902 20.296 ( 3.550 2.050 -12.302) 12.967 22.885 ( -3.814 -2.202 -0.395) 4.422======================= Grid point 346 (100/116) =======================q-point: (-0.50 0.30 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.706 ( -3.844 -2.220 6.586) 7.943 2.973 ( -9.025 -5.211 9.088) 13.828 3.554 ( 6.888 3.977 1.749) 8.143 3.679 ( -1.085 -0.626 3.643) 3.852 3.847 ( 5.116 2.954 -1.084) 6.006 4.022 ( -9.963 -5.752 -6.615) 13.270 5.747 ( -9.611 -5.549 5.059) 12.197 6.883 ( 10.872 6.277 14.439) 19.133 7.117 ( 10.024 5.788 1.540) 11.677 7.503 ( 0.721 0.416 -18.196) 18.215 7.784 ( 8.582 4.955 -14.361) 17.449 8.006 ( -16.447 -9.496 8.231) 20.699 9.444 ( 20.252 11.692 1.953) 23.466 10.161 ( -24.064 -13.893 -4.805) 28.199 10.268 ( 1.471 0.849 -10.567) 10.702 10.786 ( -4.936 -2.850 5.740) 8.089 10.855 ( 1.051 0.607 -8.076) 8.167 11.548 ( 13.516 7.804 -11.557) 19.420 11.617 ( -5.882 -3.396 2.571) 7.262 12.084 ( -7.656 -4.420 10.131) 13.446 12.456 ( -5.575 -3.219 0.906) 6.501 12.658 ( 6.217 3.590 6.222) 9.500 13.228 ( -2.566 -1.482 -2.138) 3.654 13.230 ( 9.742 5.624 -7.563) 13.555 13.448 ( -0.099 -0.057 3.279) 3.281 13.851 ( 11.646 6.724 -3.462) 13.887 14.938 ( -8.867 -5.119 -3.757) 10.906 15.230 ( -1.282 -0.740 -7.367) 7.514 15.253 ( -7.233 -4.176 12.047) 14.659 15.497 ( -3.654 -2.110 -2.122) 4.723 15.612 ( 6.501 3.753 -14.927) 16.709 15.846 ( 7.345 4.241 14.606) 16.890 16.078 ( -0.330 -0.191 -11.811) 11.817 16.157 ( 2.257 1.303 -17.467) 17.661 16.897 ( 1.572 0.908 27.638) 27.697 17.001 ( -11.281 -6.513 -1.429) 13.105 17.516 ( 2.793 1.613 12.026) 12.451 17.644 ( 3.303 1.907 -3.735) 5.338 19.137 ( -0.762 -0.440 -2.561) 2.708 19.240 ( 0.361 0.208 -2.322) 2.359 20.217 ( 6.902 3.985 -11.506) 13.997 22.768 ( -6.504 -3.755 -4.083) 8.548======================= Grid point 347 (101/116) =======================q-point: (-0.40 0.30 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.761 ( -5.456 -3.150 11.801) 13.378 2.954 ( -9.839 -5.681 10.327) 15.353 3.600 ( -1.972 -1.138 0.734) 2.392 3.720 ( -0.042 -0.024 3.310) 3.310 3.754 ( -9.620 -5.554 -6.154) 12.699 3.922 ( 4.206 2.428 -3.055) 5.737 5.749 ( -1.798 -1.038 8.679) 8.923 6.973 ( -8.948 -5.166 -6.499) 12.206 7.223 ( -16.977 -9.801 -3.408) 19.897 7.368 ( 21.822 12.599 6.281) 25.968 7.777 ( 10.090 5.825 -8.883) 14.651 8.190 ( 13.421 7.748 14.957) 21.537 9.515 ( -7.949 -4.589 -13.471) 16.301 9.931 ( -1.869 -1.079 7.611) 7.911 10.092 ( -0.049 -0.029 -15.051) 15.051 10.835 ( 1.634 0.944 8.153) 8.368 10.859 ( 7.054 4.072 -2.646) 8.564 11.527 ( -7.537 -4.352 0.647) 8.727 11.589 ( 11.307 6.528 -11.431) 17.353 12.141 ( -7.317 -4.225 15.680) 17.811 12.384 ( -5.436 -3.138 1.928) 6.566 12.798 ( 1.896 1.095 3.838) 4.419 13.185 ( -1.511 -0.872 -5.444) 5.717 13.242 ( 1.916 1.106 4.723) 5.216 13.542 ( 6.223 3.593 -0.009) 7.185 13.966 ( 10.378 5.992 -5.254) 13.085 14.677 ( -4.526 -2.613 -14.509) 15.422 15.068 ( -1.829 -1.056 -11.916) 12.102 15.273 ( -8.031 -4.637 8.941) 12.882 15.345 ( 5.817 3.358 -35.654) 36.281 15.489 ( -6.443 -3.720 11.194) 13.441 15.952 ( 1.304 0.753 -8.215) 8.352 16.077 ( 6.829 3.943 -5.920) 9.860 16.229 ( 6.731 3.886 22.057) 23.386 16.800 ( -9.491 -5.480 -2.692) 11.286 17.226 ( -0.369 -0.213 14.520) 14.527 17.606 ( -0.407 -0.235 -1.687) 1.752 17.711 ( 1.080 0.623 11.121) 11.191 19.140 ( 0.034 0.019 3.492) 3.493 19.220 ( 0.656 0.379 -1.602) 1.772 20.201 ( 10.161 5.866 -10.427) 15.697 22.570 ( -8.178 -4.722 -6.720) 11.590======================= Grid point 348 (102/116) =======================q-point: (-0.30 0.30 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.831 ( -8.320 -4.803 12.787) 15.993 2.945 ( -10.364 -5.984 12.217) 17.102 3.511 ( -9.534 -5.504 -5.987) 12.531 3.570 ( -3.457 -1.996 2.401) 4.658 3.767 ( 0.241 0.139 3.172) 3.185 3.895 ( -1.930 -1.114 -2.875) 3.638 5.926 ( 4.907 2.833 12.858) 14.052 6.703 ( -9.727 -5.616 -8.577) 14.132 6.855 ( -21.774 -12.571 -1.951) 25.218 7.854 ( 10.351 5.976 -4.620) 12.814 7.867 ( 24.092 13.909 9.099) 29.269 8.670 ( 19.519 11.269 12.940) 25.989 9.185 ( -4.619 -2.667 -13.391) 14.414 9.889 ( 1.558 0.899 -14.732) 14.841 9.921 ( -11.633 -6.716 3.985) 14.011 10.964 ( 9.329 5.386 -2.489) 11.056 11.099 ( 11.401 6.582 10.815) 17.037 11.403 ( -6.512 -3.760 -0.714) 7.553 11.599 ( 9.340 5.393 -11.490) 15.759 12.257 ( -7.534 -4.350 16.106) 18.305 12.336 ( -5.998 -3.463 4.570) 8.297 12.880 ( 3.043 1.757 4.231) 5.500 13.097 ( -4.165 -2.405 2.393) 5.372 13.362 ( -1.009 -0.582 9.474) 9.546 13.615 ( 4.627 2.671 -2.282) 5.810 14.054 ( 7.492 4.325 -2.897) 9.123 14.433 ( 4.307 2.486 -20.809) 21.395 14.847 ( 2.069 1.195 -40.968) 41.038 14.880 ( -7.660 -4.423 -2.087) 9.088 15.305 ( -3.035 -1.752 6.616) 7.487 15.562 ( -6.051 -3.494 13.083) 14.832 15.873 ( 2.091 1.207 -7.333) 7.720 16.074 ( 3.247 1.875 -10.139) 10.810 16.623 ( 5.049 2.915 4.159) 7.162 16.707 ( 0.717 0.414 17.715) 17.735 17.170 ( -7.780 -4.492 -9.123) 12.804 17.709 ( 3.107 1.794 10.160) 10.775 17.859 ( 0.185 0.107 8.734) 8.737 19.195 ( -3.364 -1.942 6.577) 7.638 19.212 ( 0.068 0.039 -0.665) 0.669 20.272 ( 14.058 8.117 -7.325) 17.809 22.335 ( -8.283 -4.782 -6.712) 11.684======================= Grid point 355 (103/116) =======================q-point: ( 0.40 -0.60 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.750 ( -0.000 -2.696 6.136) 6.703 3.148 ( -0.000 -3.739 7.450) 8.335 3.371 ( -0.000 9.277 3.928) 10.074 3.705 ( -0.000 -1.277 2.217) 2.559 3.772 ( -0.000 3.355 -0.129) 3.357 4.164 ( 0.000 -4.691 -8.369) 9.594 5.929 ( 0.000 -24.924 5.112) 25.443 6.666 ( -0.000 27.735 3.283) 27.929 6.962 ( -0.000 8.342 17.359) 19.259 7.502 ( 0.000 -2.140 -20.041) 20.155 7.647 ( 0.000 7.251 -15.756) 17.344 8.436 ( -0.000 -19.777 5.951) 20.653 9.019 ( -0.000 14.886 4.045) 15.425 10.250 ( 0.000 1.856 -8.154) 8.363 10.607 ( 0.000 -26.286 -11.509) 28.695 10.710 ( -0.000 -9.374 10.045) 13.739 10.954 ( 0.000 3.478 -12.813) 13.276 11.288 ( 0.000 18.962 -10.795) 21.819 11.708 ( -0.000 -2.462 4.022) 4.716 12.220 ( -0.000 -8.814 10.551) 13.748 12.491 ( -0.000 6.398 8.660) 10.767 12.628 ( 0.000 -6.234 -0.366) 6.244 13.001 ( 0.000 13.023 -3.538) 13.495 13.258 ( 0.000 -4.322 -6.940) 8.175 13.579 ( -0.000 7.162 -0.663) 7.193 13.602 ( -0.000 3.270 -0.111) 3.272 15.081 ( -0.000 -3.543 4.514) 5.739 15.232 ( 0.000 -8.342 -20.530) 22.161 15.367 ( -0.000 -5.198 14.230) 15.150 15.497 ( 0.000 10.013 -23.251) 25.315 15.580 ( -0.000 -3.869 7.864) 8.765 15.718 ( -0.000 5.012 15.624) 16.408 16.089 ( 0.000 -0.588 -13.065) 13.079 16.121 ( 0.000 1.314 -19.398) 19.443 16.877 ( -0.000 0.534 27.934) 27.939 17.199 ( 0.000 -14.551 -1.315) 14.611 17.431 ( -0.000 0.895 12.239) 12.272 17.595 ( -0.000 12.848 -0.663) 12.865 19.143 ( 0.000 -4.064 -4.211) 5.852 19.239 ( 0.000 3.629 -3.270) 4.885 20.128 ( 0.000 4.799 -11.840) 12.776 22.851 ( 0.000 -4.061 -4.326) 5.933======================= Grid point 357 (104/116) =======================q-point: (-0.50 0.40 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.839 ( -1.490 -3.716 10.970) 11.678 3.177 ( -7.524 -1.096 7.522) 10.695 3.516 ( 6.404 4.571 0.820) 7.910 3.725 ( -0.498 0.173 2.084) 2.150 3.803 ( 3.099 3.243 -1.226) 4.650 3.966 ( -5.220 -4.688 -9.741) 12.005 5.831 ( -3.327 -17.463 8.015) 19.501 6.903 ( 9.247 18.507 -8.741) 22.460 7.153 ( -6.566 6.762 1.821) 9.600 7.383 ( 8.683 5.245 2.902) 10.551 7.578 ( 4.621 10.751 -7.257) 13.770 8.298 ( -18.032 -13.445 13.044) 26.001 9.288 ( 17.679 -1.563 2.662) 17.946 10.121 ( -2.745 -0.959 -7.095) 7.667 10.222 ( -12.796 -9.653 -8.946) 18.356 10.719 ( 1.517 -7.088 0.133) 7.250 10.870 ( 1.852 1.571 -3.051) 3.900 11.316 ( 6.987 14.843 -11.134) 19.827 11.695 ( -4.111 -6.876 2.525) 8.399 12.311 ( -5.539 -4.381 15.121) 16.689 12.505 ( -3.638 -7.643 2.206) 8.747 12.746 ( 1.386 7.143 8.481) 11.175 13.055 ( 9.963 1.042 -4.533) 10.995 13.177 ( 0.738 4.828 -4.520) 6.655 13.541 ( -5.081 5.867 0.242) 7.765 13.721 ( 8.933 7.784 -3.023) 12.228 14.790 ( -4.123 -3.552 -27.342) 27.878 15.110 ( -0.055 -3.258 0.350) 3.277 15.200 ( 3.921 7.599 -32.880) 33.973 15.441 ( -4.017 -10.247 7.981) 13.595 15.646 ( -5.563 -4.597 10.197) 12.492 15.908 ( 3.147 1.302 -12.004) 12.478 15.975 ( -0.246 4.506 -0.931) 4.608 16.059 ( 6.140 2.557 16.683) 17.960 16.996 ( -4.735 -14.806 -2.937) 15.820 17.250 ( -1.712 2.313 20.188) 20.392 17.573 ( 2.353 4.641 -0.833) 5.270 17.704 ( -0.223 4.417 8.992) 10.021 19.083 ( 2.436 -2.871 -1.455) 4.036 19.233 ( -0.704 6.232 -1.630) 6.480 20.033 ( 3.369 5.984 -10.383) 12.449 22.717 ( -3.321 -5.515 -6.790) 9.357======================= Grid point 358 (105/116) =======================q-point: (-0.40 0.40 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.956 ( -2.991 -4.817 13.449) 14.595 3.178 ( -8.273 -1.379 7.999) 11.590 3.573 ( 2.839 -0.491 -2.266) 3.666 3.716 ( -5.815 -3.805 -7.271) 10.058 3.765 ( -0.854 1.777 0.065) 1.972 3.859 ( 3.604 2.677 -1.188) 4.644 5.859 ( 0.929 -9.013 11.846) 14.914 6.743 ( -0.626 2.614 -21.442) 21.609 7.324 ( 2.537 13.844 2.062) 14.225 7.514 ( 4.380 -1.328 4.328) 6.299 7.690 ( -3.575 10.919 8.804) 14.474 8.324 ( 1.791 3.711 12.302) 12.974 9.252 ( 4.244 -21.733 -13.273) 25.817 9.920 ( -7.816 -4.673 -8.290) 12.315 10.149 ( -4.076 12.274 6.328) 14.398 10.746 ( 8.122 -2.436 1.364) 8.588 10.898 ( 4.760 2.132 0.712) 5.264 11.339 ( 7.379 9.037 -10.329) 15.582 11.595 ( -5.824 -6.337 -0.693) 8.635 12.426 ( -5.466 -3.623 10.232) 12.153 12.476 ( -5.597 -2.386 10.688) 12.299 12.835 ( 0.707 -1.648 2.087) 2.752 13.172 ( -1.970 2.575 1.288) 3.489 13.231 ( 11.535 3.707 6.772) 13.880 13.549 ( -0.626 5.575 -0.449) 5.628 13.844 ( 8.429 9.554 -2.922) 13.072 14.365 ( 0.605 0.843 -27.917) 27.936 14.769 ( 3.869 3.578 -40.251) 40.595 15.063 ( -6.409 -3.180 2.494) 7.577 15.425 ( -4.077 -10.034 7.744) 13.314 15.664 ( -3.211 -1.073 3.317) 4.740 15.836 ( 4.260 -3.442 -4.315) 6.972 15.992 ( -2.200 7.029 -0.054) 7.365 16.444 ( 8.605 2.441 17.357) 19.526 16.779 ( -3.934 -14.531 -1.998) 15.186 17.364 ( -7.793 3.736 -3.069) 9.171 17.640 ( 3.055 3.090 7.052) 8.284 17.854 ( 0.060 1.597 8.414) 8.565 19.126 ( 5.191 -1.561 1.710) 5.684 19.270 ( -1.663 6.677 2.367) 7.277 20.006 ( 6.761 7.443 -8.734) 13.319 22.518 ( -5.878 -6.438 -7.110) 11.250======================= Grid point 359 (106/116) =======================q-point: (-0.30 0.40 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.044 ( -6.317 -5.727 11.017) 13.931 3.175 ( -7.699 -4.224 8.420) 12.166 3.456 ( -5.861 -4.577 -9.173) 11.809 3.604 ( 0.893 0.500 0.478) 1.130 3.798 ( 0.406 0.155 1.784) 1.836 3.876 ( 0.302 1.485 -1.349) 2.029 6.050 ( 5.951 -3.588 14.960) 16.495 6.446 ( -1.637 4.033 -21.497) 21.933 7.218 ( -23.692 -11.516 8.228) 27.598 7.701 ( 13.372 5.414 -1.792) 14.537 7.959 ( 4.648 16.820 14.844) 22.910 8.639 ( 18.688 14.833 1.099) 23.884 8.950 ( 2.063 -12.567 -12.700) 17.985 9.712 ( -3.453 -7.515 -4.844) 9.585 10.169 ( -14.686 3.154 4.421) 15.658 10.872 ( 6.832 5.323 -1.040) 8.723 11.084 ( 14.833 -1.262 4.335) 15.505 11.353 ( 5.710 4.483 -2.987) 7.850 11.472 ( -3.358 2.128 -5.821) 7.049 12.431 ( -3.100 -4.266 4.712) 7.072 12.518 ( -11.213 -1.978 6.491) 13.107 12.880 ( 4.976 -1.373 2.196) 5.609 13.272 ( -2.986 0.164 18.236) 18.480 13.495 ( 4.242 3.052 12.077) 13.159 13.580 ( 1.381 3.139 0.390) 3.452 13.972 ( 8.778 6.975 -6.292) 12.857 14.064 ( 3.916 5.673 -19.236) 20.434 14.263 ( 2.497 1.092 -39.159) 39.254 15.016 ( -8.109 -2.852 7.332) 11.298 15.391 ( -3.837 -7.028 2.919) 8.523 15.656 ( 3.220 0.729 -4.162) 5.312 15.830 ( 1.408 -4.951 1.919) 5.493 15.980 ( -7.783 3.554 -0.117) 8.557 16.510 ( 4.236 -4.705 -7.723) 9.986 16.930 ( 7.562 -4.444 18.693) 20.649 17.142 ( -10.814 4.580 -10.270) 15.601 17.803 ( 2.784 3.048 5.675) 7.018 17.957 ( 0.300 0.787 4.957) 5.028 19.192 ( 2.317 2.543 -0.057) 3.441 19.322 ( -3.405 -0.938 4.851) 6.001 20.086 ( 12.216 10.123 -4.700) 16.547 22.309 ( -6.739 -6.341 -4.314) 10.210======================= Grid point 367 (107/116) =======================q-point: (-0.50 0.50 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.992 ( 0.000 -4.126 13.463) 14.082 3.309 ( 0.000 -1.897 5.538) 5.854 3.497 ( 0.000 2.221 -1.730) 2.815 3.760 ( -0.000 0.624 1.875) 1.976 3.789 ( 0.000 3.679 -1.224) 3.878 3.824 ( 0.000 -1.326 -10.990) 11.069 5.854 ( 0.000 -16.309 11.535) 19.976 6.740 ( 0.000 6.544 -18.053) 19.202 7.334 ( -0.000 16.732 1.807) 16.829 7.339 ( 0.000 8.814 -3.086) 9.338 7.707 ( 0.000 19.676 9.709) 21.942 8.539 ( 0.000 -15.602 17.686) 23.584 9.050 ( 0.000 -20.590 -9.068) 22.498 10.106 ( 0.000 -9.991 -8.110) 12.869 10.185 ( 0.000 14.537 6.795) 16.046 10.618 ( 0.000 -11.667 -3.945) 12.316 10.821 ( 0.000 7.825 -3.051) 8.398 11.261 ( 0.000 16.742 -9.577) 19.288 11.678 ( 0.000 -13.137 1.885) 13.272 12.504 ( 0.000 -9.518 4.058) 10.347 12.559 ( 0.000 -0.646 17.229) 17.241 12.870 ( -0.000 -3.415 -6.581) 7.414 12.984 ( 0.000 10.049 14.054) 17.277 13.199 ( 0.000 7.815 1.444) 7.948 13.582 ( 0.000 1.248 -2.596) 2.880 13.714 ( 0.000 14.459 -1.503) 14.537 14.374 ( 0.000 -1.091 -30.105) 30.125 14.706 ( 0.000 6.415 -39.452) 39.970 15.152 ( 0.000 -2.747 4.664) 5.413 15.456 ( 0.000 -11.865 4.693) 12.760 15.726 ( 0.000 1.807 -11.559) 11.699 15.759 ( 0.000 -3.860 4.317) 5.791 16.083 ( 0.000 2.239 9.630) 9.887 16.287 ( 0.000 2.072 18.557) 18.672 16.832 ( 0.000 -18.530 -6.199) 19.540 17.533 ( -0.000 2.420 15.191) 15.382 17.538 ( 0.000 7.966 -8.876) 11.927 17.855 ( 0.000 2.059 8.303) 8.554 19.040 ( 0.000 0.137 0.115) 0.179 19.289 ( 0.000 9.085 0.694) 9.112 19.932 ( 0.000 6.188 -7.653) 9.842 22.593 ( 0.000 -7.031 -7.113) 10.001======================= Grid point 369 (108/116) =======================q-point: (-0.40 0.50 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.140 ( -1.991 -4.656 13.086) 14.032 3.317 ( -3.752 -4.667 3.105) 6.746 3.475 ( 3.206 -2.565 -4.620) 6.180 3.647 ( -4.071 1.925 -8.423) 9.552 3.800 ( -0.296 1.771 1.612) 2.413 3.825 ( 2.944 3.435 -1.053) 4.645 5.959 ( 1.718 -9.483 15.599) 18.336 6.502 ( -2.089 2.747 -18.635) 18.952 7.401 ( 7.823 9.325 -2.409) 12.408 7.471 ( -1.872 13.204 0.665) 13.352 8.017 ( 1.614 21.934 10.616) 24.421 8.515 ( -12.424 -11.704 4.453) 17.640 8.840 ( 9.142 -23.439 -3.687) 25.428 9.871 ( -7.575 -4.786 -8.564) 12.395 10.396 ( -5.019 4.092 5.466) 8.474 10.604 ( 14.320 0.167 4.210) 14.927 10.872 ( 1.096 9.338 -0.290) 9.406 11.251 ( 1.803 13.723 -8.373) 16.177 11.578 ( -3.316 -12.256 0.269) 12.699 12.491 ( -2.139 -7.112 4.431) 8.648 12.745 ( 1.003 3.723 5.454) 6.680 12.775 ( -3.589 -6.453 1.150) 7.473 13.311 ( 5.226 7.306 16.209) 18.532 13.343 ( -0.464 4.721 15.711) 16.412 13.567 ( 0.794 1.445 -0.397) 1.696 13.797 ( 4.115 12.556 -6.714) 14.821 14.010 ( 0.531 4.582 -20.935) 21.437 14.200 ( 1.987 2.865 -39.127) 39.282 15.172 ( -3.954 -1.674 3.916) 5.811 15.452 ( -1.048 -10.196 4.564) 11.220 15.618 ( 2.736 -0.208 -5.782) 6.400 15.750 ( 0.008 -0.527 -1.164) 1.278 16.201 ( -7.456 0.544 11.885) 14.041 16.452 ( 1.699 -6.800 -7.383) 10.180 16.737 ( 6.072 -11.456 15.780) 20.423 17.384 ( -7.122 6.733 -13.197) 16.439 17.733 ( 2.662 3.030 7.182) 8.237 17.954 ( -0.008 1.992 3.909) 4.387 19.094 ( 3.881 2.574 1.987) 5.063 19.362 ( -0.458 6.684 1.241) 6.814 19.910 ( 2.706 8.429 -4.720) 10.032 22.436 ( -2.955 -7.957 -4.716) 9.710======================= Grid point 370 (109/116) =======================q-point: (-0.30 -0.50 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 255Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.171 ( -4.339 -7.516 0.000) 8.678 3.266 ( -2.751 -4.765 -0.000) 5.502 3.389 ( -3.999 -6.927 0.000) 7.998 3.593 ( 2.257 3.909 0.000) 4.514 3.810 ( -0.519 -0.898 0.000) 1.037 3.870 ( 1.866 3.232 -0.000) 3.732 6.130 ( -2.274 -3.938 -0.000) 4.548 6.290 ( 2.756 4.774 0.000) 5.512 7.406 ( -6.766 -11.719 0.000) 13.532 7.592 ( 7.117 12.328 0.000) 14.235 8.332 ( 10.171 17.617 0.000) 20.343 8.360 ( -0.470 -0.814 -0.000) 0.940 8.797 ( -0.377 -0.653 0.000) 0.754 9.683 ( -4.627 -8.015 -0.000) 9.255 10.343 ( -3.562 -6.170 -0.000) 7.124 10.844 ( 3.522 6.101 0.000) 7.045 10.959 ( 4.845 8.391 0.000) 9.689 11.328 ( 6.649 11.517 -0.000) 13.299 11.460 ( -3.124 -5.411 0.000) 6.248 12.466 ( -2.068 -3.582 0.000) 4.136 12.650 ( -6.067 -10.509 0.000) 12.135 12.834 ( 2.493 4.318 0.000) 4.986 13.521 ( -1.037 -1.796 0.000) 2.074 13.661 ( 4.820 8.349 -0.000) 9.641 13.697 ( 2.073 3.591 0.000) 4.146 13.711 ( 1.697 2.940 0.000) 3.394 13.776 ( 1.408 2.439 -0.000) 2.817 14.007 ( 6.055 10.487 0.000) 12.109 15.145 ( -2.263 -3.920 0.000) 4.526 15.380 ( -3.916 -6.783 0.000) 7.833 15.586 ( -0.791 -1.369 0.000) 1.581 15.791 ( 2.189 3.792 -0.000) 4.379 16.158 ( -7.398 -12.814 0.000) 14.796 16.331 ( 0.994 1.721 0.000) 1.988 16.986 ( -0.458 -0.794 0.000) 0.916 17.169 ( 0.522 0.904 -0.000) 1.044 17.837 ( 2.164 3.747 -0.000) 4.327 17.993 ( 0.519 0.898 0.000) 1.037 19.187 ( 2.934 5.082 -0.000) 5.868 19.377 ( -1.353 -2.343 0.000) 2.706 20.010 ( 7.340 12.714 0.000) 14.681 22.297 ( -4.549 -7.878 -0.000) 9.097======================= Grid point 380 (110/116) =======================q-point: (-0.40 -0.40 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.219 ( 0.000 -8.392 -2.215) 8.680 3.337 ( 0.000 -4.771 -7.714) 9.070 3.356 ( -0.000 -5.038 9.552) 10.799 3.616 ( 0.000 3.643 -3.334) 4.938 3.808 ( 0.000 2.749 -1.415) 3.092 3.841 ( -0.000 1.612 1.600) 2.271 6.141 ( -0.000 -4.964 19.682) 20.298 6.293 ( 0.000 2.445 -16.670) 16.849 7.352 ( 0.000 0.829 -2.947) 3.062 7.608 ( -0.000 15.074 0.712) 15.090 8.093 ( 0.000 5.301 -17.243) 18.040 8.465 ( -0.000 2.817 3.894) 4.806 8.864 ( -0.000 -10.255 17.302) 20.113 9.788 ( 0.000 -4.382 -4.991) 6.642 10.275 ( 0.000 -11.755 -7.499) 13.943 10.737 ( -0.000 10.536 7.217) 12.771 11.037 ( -0.000 15.306 11.106) 18.911 11.206 ( 0.000 12.662 -9.528) 15.847 11.519 ( 0.000 -12.000 0.752) 12.023 12.517 ( -0.000 -8.710 4.316) 9.721 12.611 ( 0.000 -4.036 -7.776) 8.761 12.901 ( -0.000 1.450 2.058) 2.518 13.483 ( -0.000 3.856 -0.830) 3.944 13.621 ( 0.000 6.225 -6.201) 8.787 13.637 ( -0.000 1.259 4.067) 4.258 13.725 ( 0.000 4.834 -15.099) 15.854 13.753 ( -0.000 5.444 20.337) 21.053 13.922 ( 0.000 11.177 -2.623) 11.481 15.158 ( 0.000 -5.008 -5.703) 7.590 15.485 ( -0.000 -11.433 4.931) 12.451 15.565 ( -0.000 3.611 2.248) 4.254 15.756 ( -0.000 3.685 2.420) 4.409 16.195 ( 0.000 -13.045 -14.746) 19.688 16.420 ( -0.000 0.161 10.905) 10.906 16.882 ( -0.000 -7.861 18.776) 20.355 17.250 ( 0.000 6.141 -18.883) 19.856 17.800 ( -0.000 3.329 1.144) 3.520 17.988 ( 0.000 1.765 -0.893) 1.978 19.128 ( -0.000 3.632 2.674) 4.510 19.389 ( 0.000 2.411 -2.937) 3.800 19.933 ( -0.000 12.596 0.017) 12.596 22.358 ( 0.000 -8.875 -0.272) 8.879======================= Grid point 465 (111/116) =======================q-point: ( 0.40 0.40 -0.60)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.888 ( -0.000 -0.000 10.744) 10.744 3.318 ( -0.000 0.000 5.237) 5.237 3.318 ( -0.000 -0.000 5.237) 5.237 3.737 ( 0.000 0.000 -0.081) 0.081 3.737 ( 0.000 -0.000 -0.081) 0.081 4.057 ( 0.000 0.000 -11.689) 11.689 6.336 ( 0.000 0.000 2.797) 2.797 6.336 ( 0.000 -0.000 2.797) 2.797 7.134 ( -0.000 -0.000 15.365) 15.365 7.335 ( 0.000 0.000 -13.066) 13.066 7.335 ( 0.000 0.000 -13.066) 13.066 8.874 ( -0.000 0.000 12.769) 12.769 8.874 ( -0.000 -0.000 12.769) 12.769 10.107 ( 0.000 0.000 -11.002) 11.002 10.745 ( 0.000 0.000 -7.041) 7.041 10.789 ( 0.000 0.000 -15.065) 15.065 10.789 ( 0.000 -0.000 -15.065) 15.065 10.904 ( -0.000 -0.000 4.887) 4.887 11.828 ( -0.000 -0.000 8.111) 8.111 12.515 ( -0.000 0.000 12.091) 12.091 12.515 ( -0.000 -0.000 12.091) 12.091 12.790 ( -0.000 0.000 1.415) 1.415 12.790 ( 0.000 -0.000 1.415) 1.415 13.131 ( 0.000 0.000 -13.950) 13.950 13.541 ( 0.000 0.000 -1.010) 1.010 13.541 ( 0.000 -0.000 -1.010) 1.010 14.961 ( 0.000 0.000 -31.865) 31.865 14.961 ( 0.000 0.000 -31.865) 31.865 15.170 ( -0.000 -0.000 3.622) 3.622 15.610 ( -0.000 -0.000 13.632) 13.632 15.785 ( 0.000 0.000 -1.862) 1.862 15.785 ( 0.000 -0.000 -1.862) 1.862 15.966 ( -0.000 -0.000 5.555) 5.555 15.966 ( -0.000 -0.000 5.555) 5.555 17.225 ( -0.000 -0.000 22.127) 22.127 17.352 ( 0.000 0.000 -4.290) 4.290 17.352 ( 0.000 -0.000 -4.290) 4.290 17.660 ( -0.000 -0.000 14.987) 14.987 19.129 ( 0.000 0.000 -4.590) 4.590 19.129 ( 0.000 -0.000 -4.590) 4.590 19.952 ( 0.000 0.000 -8.260) 8.260 22.800 ( 0.000 0.000 -6.826) 6.826======================= Grid point 468 (112/116) =======================q-point: (-0.50 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.044 ( -1.685 -0.973 13.409) 13.549 3.302 ( -5.274 -3.045 5.997) 8.546 3.474 ( 6.103 3.524 1.357) 7.177 3.733 ( 0.501 0.289 0.244) 0.628 3.752 ( 2.144 1.238 -1.710) 3.009 3.858 ( -2.742 -1.583 -12.139) 12.545 6.125 ( -12.772 -7.374 6.436) 16.091 6.589 ( 11.908 6.875 -8.409) 16.118 7.107 ( -2.779 -1.605 -1.608) 3.590 7.318 ( 9.626 5.557 -7.803) 13.580 7.434 ( 10.774 6.220 10.699) 16.408 8.720 ( -24.689 -14.254 17.098) 33.243 9.354 ( 13.729 7.926 10.257) 18.882 9.951 ( -0.349 -0.201 -10.355) 10.363 10.273 ( -17.602 -10.162 -9.831) 22.577 10.672 ( 1.993 1.151 -3.720) 4.374 10.895 ( 18.508 10.686 -15.176) 26.212 10.933 ( -0.771 -0.445 0.353) 0.958 11.874 ( -8.849 -5.109 7.213) 12.507 12.561 ( -5.587 -3.226 11.371) 13.074 12.626 ( -6.554 -3.784 0.806) 7.611 12.842 ( 0.956 0.552 14.057) 14.100 13.003 ( 9.355 5.401 -7.701) 13.266 13.016 ( 8.317 4.802 7.262) 12.040 13.495 ( -1.555 -0.898 -0.494) 1.862 13.603 ( 6.892 3.979 -1.937) 8.190 14.407 ( -4.225 -2.439 -32.552) 32.915 14.606 ( 7.132 4.118 -36.741) 37.652 15.185 ( -3.182 -1.837 2.481) 4.433 15.652 ( -3.794 -2.190 1.135) 4.526 15.653 ( -0.086 -0.050 -7.760) 7.760 15.787 ( 1.489 0.860 -0.422) 1.771 16.068 ( -6.838 -3.948 15.504) 17.399 16.273 ( 7.130 4.116 18.153) 19.932 17.109 ( -10.606 -6.123 -5.032) 13.240 17.359 ( 1.071 0.618 -5.193) 5.338 17.523 ( 4.681 2.703 11.169) 12.408 17.834 ( 0.223 0.129 9.150) 9.153 19.091 ( 3.961 2.287 -0.847) 4.652 19.108 ( 2.636 1.522 -3.964) 4.997 19.881 ( 1.560 0.900 -4.663) 4.998 22.672 ( -3.504 -2.023 -6.988) 8.075======================= Grid point 469 (113/116) =======================q-point: (-0.40 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 282Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.190 ( -3.722 -2.149 12.729) 13.436 3.310 ( -4.676 -2.700 6.691) 8.598 3.536 ( 2.043 1.180 -3.276) 4.037 3.606 ( -2.660 -1.536 -10.722) 11.154 3.759 ( 1.737 1.003 0.756) 2.143 3.816 ( 3.542 2.045 -0.809) 4.169 6.111 ( -4.650 -2.685 11.847) 13.007 6.457 ( -1.643 -0.949 -17.560) 17.662 7.208 ( 9.447 5.454 2.716) 11.242 7.422 ( 12.619 7.286 -3.699) 15.034 7.771 ( 10.914 6.301 11.176) 16.844 8.557 ( -20.042 -11.571 12.865) 26.478 9.301 ( -12.665 -7.312 -14.909) 20.884 9.828 ( -2.369 -1.368 -3.494) 4.438 10.201 ( 1.124 0.649 11.847) 11.918 10.688 ( 5.823 3.362 -3.832) 7.739 10.961 ( 3.879 2.240 3.756) 5.846 10.972 ( 16.481 9.516 -14.396) 23.863 11.737 ( -13.960 -8.060 1.356) 16.177 12.578 ( -3.861 -2.229 4.683) 6.466 12.614 ( -3.939 -2.274 4.822) 6.629 12.890 ( 0.222 0.128 0.576) 0.630 13.279 ( 1.656 0.956 19.899) 19.991 13.286 ( 11.298 6.523 12.969) 18.395 13.478 ( 1.556 0.898 -1.209) 2.166 13.719 ( 9.450 5.456 -0.078) 10.912 13.955 ( 1.094 0.632 -27.869) 27.898 14.178 ( 4.529 2.615 -37.549) 37.912 15.159 ( -4.843 -2.796 4.275) 7.039 15.580 ( 2.230 1.288 -5.685) 6.241 15.651 ( -5.972 -3.448 6.742) 9.644 15.729 ( 2.094 1.209 -8.646) 8.977 16.152 ( -9.370 -5.410 15.512) 18.913 16.543 ( 2.263 1.306 0.718) 2.710 16.971 ( -3.078 -1.777 9.940) 10.556 17.203 ( -3.658 -2.112 -13.731) 14.366 17.713 ( 3.382 1.952 6.239) 7.360 17.932 ( 0.826 0.477 4.358) 4.461 19.110 ( 3.337 1.927 -2.846) 4.791 19.229 ( 8.744 5.049 3.801) 10.789 19.860 ( 2.869 1.657 -3.226) 4.624 22.507 ( -6.426 -3.710 -4.523) 8.690======================= Grid point 478 (114/116) =======================q-point: (-0.50 0.50 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.233 ( 0.000 -2.583 13.926) 14.164 3.400 ( 0.000 -1.293 4.152) 4.349 3.456 ( 0.000 1.106 -0.745) 1.334 3.671 ( 0.000 -1.137 -12.936) 12.986 3.736 ( -0.000 2.014 -0.590) 2.099 3.748 ( 0.000 2.527 -0.306) 2.545 6.203 ( 0.000 -12.496 7.741) 14.699 6.462 ( 0.000 4.320 -10.000) 10.893 7.165 ( -0.000 9.232 0.740) 9.262 7.181 ( 0.000 5.451 -4.152) 6.853 7.569 ( 0.000 14.749 6.368) 16.065 9.057 ( -0.000 -19.046 19.191) 27.038 9.258 ( 0.000 -19.413 -3.135) 19.665 9.928 ( 0.000 10.604 -5.667) 12.023 10.236 ( 0.000 -1.658 3.090) 3.507 10.540 ( 0.000 6.385 -15.246) 16.529 10.696 ( 0.000 5.004 -1.027) 5.108 10.960 ( 0.000 7.358 -3.146) 8.002 11.956 ( 0.000 -15.915 5.418) 16.812 12.660 ( 0.000 -4.183 1.377) 4.404 12.676 ( -0.000 1.415 1.940) 2.401 12.811 ( 0.000 4.453 -5.610) 7.163 13.126 ( 0.000 2.299 21.404) 21.527 13.230 ( 0.000 6.893 21.152) 22.247 13.533 ( 0.000 5.600 -2.360) 6.077 13.544 ( -0.000 1.586 0.126) 1.591 13.973 ( -0.000 -1.348 -29.430) 29.461 14.092 ( 0.000 5.255 -35.953) 36.335 15.225 ( 0.000 -1.151 1.835) 2.166 15.564 ( 0.000 0.271 -2.329) 2.344 15.576 ( -0.000 0.938 -6.507) 6.574 15.854 ( 0.000 -6.888 4.398) 8.173 16.318 ( 0.000 -4.704 15.165) 15.878 16.448 ( 0.000 2.530 9.446) 9.779 17.014 ( 0.000 -13.403 -1.776) 13.521 17.275 ( 0.000 7.486 -11.398) 13.637 17.659 ( 0.000 2.071 7.681) 7.955 17.923 ( 0.000 0.718 3.658) 3.728 19.028 ( 0.000 0.767 -0.494) 0.913 19.119 ( 0.000 10.601 -2.189) 10.825 19.844 ( 0.000 -0.275 -0.962) 1.000 22.590 ( 0.000 -4.073 -4.491) 6.062======================= Grid point 480 (115/116) =======================q-point: (-0.40 -0.50 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 255Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.337 ( -2.462 -4.263 -0.000) 4.923 3.390 ( -2.203 -3.816 0.000) 4.407 3.469 ( 0.169 0.292 -0.000) 0.337 3.521 ( 0.450 0.780 0.000) 0.900 3.767 ( 1.979 3.429 0.000) 3.959 3.782 ( 1.542 2.671 -0.000) 3.084 6.271 ( -3.062 -5.304 -0.000) 6.124 6.280 ( -1.805 -3.126 0.000) 3.609 7.222 ( 5.696 9.865 0.000) 11.391 7.311 ( 6.428 11.134 0.000) 12.857 7.796 ( 10.060 17.424 0.000) 20.120 8.846 ( -15.173 -26.281 0.000) 30.346 9.124 ( -9.184 -15.908 -0.000) 18.368 9.843 ( -1.499 -2.596 -0.000) 2.997 10.404 ( 1.930 3.342 -0.000) 3.860 10.520 ( 7.731 13.391 0.000) 15.462 10.760 ( 3.686 6.384 0.000) 7.372 10.998 ( 4.870 8.435 -0.000) 9.740 11.807 ( -9.338 -16.174 0.000) 18.677 12.601 ( -2.719 -4.710 -0.000) 5.438 12.724 ( 1.851 3.206 0.000) 3.702 12.830 ( 0.158 0.274 -0.000) 0.317 13.437 ( 2.816 4.877 -0.000) 5.631 13.456 ( 2.590 4.486 0.000) 5.180 13.610 ( 2.056 3.561 0.000) 4.112 13.652 ( 3.760 6.512 0.000) 7.519 13.656 ( -0.191 -0.331 -0.000) 0.382 13.751 ( 3.410 5.907 0.000) 6.821 15.222 ( -0.941 -1.630 0.000) 1.882 15.517 ( -0.592 -1.026 0.000) 1.185 15.619 ( 3.570 6.183 0.000) 7.140 15.764 ( -6.282 -10.880 -0.000) 12.564 16.408 ( -2.814 -4.874 -0.000) 5.628 16.440 ( -3.279 -5.680 0.000) 6.558 17.035 ( -1.775 -3.074 -0.000) 3.550 17.134 ( 0.876 1.518 0.000) 1.752 17.743 ( 1.637 2.836 -0.000) 3.275 17.958 ( 0.686 1.188 -0.000) 1.372 19.065 ( 1.878 3.254 -0.000) 3.757 19.220 ( 6.502 11.262 0.000) 13.004 19.834 ( 0.122 0.212 0.000) 0.244 22.501 ( -3.325 -5.759 0.000) 6.650======================= Grid point 596 (116/116) =======================q-point: (-0.50 -0.50 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 3.67e-09 Number of triplets: 58Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.402 ( 0.000 0.000 -0.000) 0.000 3.443 ( -0.000 0.000 0.000) 0.000 3.443 ( -0.000 0.000 0.000) 0.000 3.538 ( -0.000 0.000 0.000) 0.000 3.717 ( -0.000 0.000 0.000) 0.000 3.717 ( -0.000 0.000 0.000) 0.000 6.360 ( -0.000 0.000 0.000) 0.000 6.360 ( -0.000 0.000 0.000) 0.000 7.104 ( -0.000 -0.000 0.000) 0.000 7.104 ( -0.000 0.000 0.000) 0.000 7.502 ( -0.000 0.000 0.000) 0.000 9.419 ( 0.000 -0.000 -0.000) 0.000 9.419 ( -0.000 0.000 0.000) 0.000 9.769 ( -0.000 0.000 0.000) 0.000 10.271 ( -0.000 0.000 0.000) 0.000 10.271 ( -0.000 0.000 0.000) 0.000 10.654 ( -0.000 0.000 0.000) 0.000 10.909 ( -0.000 0.000 0.000) 0.000 12.155 ( -0.000 -0.000 0.000) 0.000 12.663 ( -0.000 0.000 0.000) 0.000 12.685 ( -0.000 0.000 0.000) 0.000 12.685 ( -0.000 0.000 0.000) 0.000 13.422 ( 0.000 0.000 -0.000) 0.000 13.422 ( -0.000 0.000 0.000) 0.000 13.517 ( 0.000 0.000 -0.000) 0.000 13.517 ( -0.000 -0.000 0.000) 0.000 13.670 ( 0.000 0.000 -0.000) 0.000 13.670 ( -0.000 0.000 0.000) 0.000 15.243 ( -0.000 0.000 0.000) 0.000 15.525 ( -0.000 0.000 0.000) 0.000 15.525 ( -0.000 0.000 0.000) 0.000 15.960 ( -0.000 0.000 0.000) 0.000 16.493 ( -0.000 0.000 0.000) 0.000 16.493 ( -0.000 0.000 0.000) 0.000 17.106 ( 0.000 0.000 -0.000) 0.000 17.106 ( -0.000 0.000 0.000) 0.000 17.695 ( -0.000 0.000 0.000) 0.000 17.940 ( -0.000 0.000 0.000) 0.000 19.017 ( -0.000 0.000 0.000) 0.000 19.017 ( -0.000 0.000 0.000) 0.000 19.848 ( -0.000 0.000 0.000) 0.000 22.587 ( -0.000 0.000 0.000) 0.000=================== End of collection of collisions ===================----------- Thermal conductivity (W/m-k) with tetrahedron method -----------# T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/42000 10.0 932.305 932.305 2855.424 0.000 -0.000 0.000 3/42000 20.0 518.861 518.861 540.575 0.000 -0.000 0.000 3/42000 30.0 270.582 270.582 264.346 0.000 -0.000 0.000 3/42000 40.0 177.999 177.999 175.416 0.000 -0.000 0.000 3/42000 50.0 128.126 128.126 127.770 0.000 -0.000 0.000 3/42000 60.0 96.807 96.807 97.476 0.000 -0.000 0.000 3/42000 70.0 75.493 75.493 76.589 0.000 -0.000 0.000 3/42000 80.0 60.247 60.247 61.486 0.000 -0.000 0.000 3/42000 90.0 48.997 48.997 50.248 0.000 -0.000 0.000 3/42000 100.0 40.522 40.522 41.733 0.000 -0.000 0.000 3/42000 110.0 34.039 34.039 35.195 0.000 -0.000 0.000 3/42000 120.0 29.014 29.014 30.114 0.000 -0.000 0.000 3/42000 130.0 25.067 25.067 26.119 0.000 -0.000 0.000 3/42000 140.0 21.927 21.927 22.940 0.000 -0.000 0.000 3/42000 150.0 19.399 19.399 20.380 0.000 -0.000 0.000 3/42000 160.0 17.337 17.337 18.293 0.000 -0.000 0.000 3/42000 170.0 15.635 15.635 16.571 0.000 -0.000 0.000 3/42000 180.0 14.216 14.216 15.134 0.000 -0.000 0.000 3/42000 190.0 13.019 13.019 13.923 0.000 -0.000 0.000 3/42000 200.0 12.000 12.000 12.890 0.000 -0.000 0.000 3/42000 210.0 11.124 11.124 12.002 0.000 -0.000 0.000 3/42000 220.0 10.365 10.365 11.231 0.000 -0.000 0.000 3/42000 230.0 9.701 9.701 10.556 0.000 -0.000 0.000 3/42000 240.0 9.118 9.118 9.961 0.000 -0.000 0.000 3/42000 250.0 8.601 8.601 9.433 0.000 -0.000 0.000 3/42000 260.0 8.140 8.140 8.961 0.000 -0.000 0.000 3/42000 270.0 7.727 7.727 8.537 0.000 -0.000 0.000 3/42000 280.0 7.355 7.355 8.153 0.000 -0.000 0.000 3/42000 290.0 7.018 7.018 7.805 0.000 -0.000 0.000 3/42000 300.0 6.711 6.711 7.487 0.000 -0.000 0.000 3/42000 310.0 6.431 6.431 7.196 0.000 -0.000 0.000 3/42000 320.0 6.174 6.174 6.928 0.000 -0.000 0.000 3/42000 330.0 5.938 5.938 6.681 0.000 -0.000 0.000 3/42000 340.0 5.720 5.720 6.452 0.000 -0.000 0.000 3/42000 350.0 5.518 5.518 6.239 0.000 -0.000 0.000 3/42000 360.0 5.331 5.331 6.040 0.000 -0.000 0.000 3/42000 370.0 5.156 5.156 5.855 0.000 -0.000 0.000 3/42000 380.0 4.993 4.993 5.681 0.000 -0.000 0.000 3/42000 390.0 4.840 4.840 5.518 0.000 -0.000 0.000 3/42000 400.0 4.697 4.697 5.365 0.000 -0.000 0.000 3/42000 410.0 4.562 4.562 5.220 0.000 -0.000 0.000 3/42000 420.0 4.435 4.435 5.083 0.000 -0.000 0.000 3/42000 430.0 4.316 4.316 4.954 0.000 -0.000 0.000 3/42000 440.0 4.203 4.203 4.832 0.000 -0.000 0.000 3/42000 450.0 4.096 4.096 4.715 0.000 -0.000 0.000 3/42000 460.0 3.994 3.994 4.605 0.000 -0.000 0.000 3/42000 470.0 3.898 3.898 4.499 0.000 -0.000 0.000 3/42000 480.0 3.806 3.806 4.399 0.000 -0.000 0.000 3/42000 490.0 3.719 3.719 4.303 0.000 -0.000 0.000 3/42000 500.0 3.636 3.636 4.212 0.000 -0.000 0.000 3/42000 510.0 3.556 3.556 4.124 0.000 -0.000 0.000 3/42000 520.0 3.480 3.480 4.040 0.000 -0.000 0.000 3/42000 530.0 3.408 3.408 3.960 0.000 -0.000 0.000 3/42000 540.0 3.338 3.338 3.883 0.000 -0.000 0.000 3/42000 550.0 3.272 3.272 3.809 0.000 -0.000 0.000 3/42000 560.0 3.208 3.208 3.738 0.000 -0.000 0.000 3/42000 570.0 3.146 3.146 3.669 0.000 -0.000 0.000 3/42000 580.0 3.087 3.087 3.603 0.000 -0.000 0.000 3/42000 590.0 3.031 3.031 3.540 0.000 -0.000 0.000 3/42000 600.0 2.976 2.976 3.478 0.000 -0.000 0.000 3/42000 610.0 2.923 2.923 3.419 0.000 -0.000 0.000 3/42000 620.0 2.873 2.873 3.362 0.000 -0.000 0.000 3/42000 630.0 2.824 2.824 3.307 0.000 -0.000 0.000 3/42000 640.0 2.776 2.776 3.254 0.000 -0.000 0.000 3/42000 650.0 2.731 2.731 3.202 0.000 -0.000 0.000 3/42000 660.0 2.687 2.687 3.152 0.000 -0.000 0.000 3/42000 670.0 2.644 2.644 3.104 0.000 -0.000 0.000 3/42000 680.0 2.603 2.603 3.057 0.000 -0.000 0.000 3/42000 690.0 2.563 2.563 3.011 0.000 -0.000 0.000 3/42000 700.0 2.524 2.524 2.967 0.000 -0.000 0.000 3/42000 710.0 2.486 2.486 2.924 0.000 -0.000 0.000 3/42000 720.0 2.450 2.450 2.883 0.000 -0.000 0.000 3/42000 730.0 2.414 2.414 2.843 0.000 -0.000 0.000 3/42000 740.0 2.380 2.380 2.803 0.000 -0.000 0.000 3/42000 750.0 2.347 2.347 2.765 0.000 -0.000 0.000 3/42000 760.0 2.314 2.314 2.728 0.000 -0.000 0.000 3/42000 770.0 2.283 2.283 2.692 0.000 -0.000 0.000 3/42000 780.0 2.252 2.252 2.657 0.000 -0.000 0.000 3/42000 790.0 2.222 2.222 2.623 0.000 -0.000 0.000 3/42000 800.0 2.193 2.193 2.589 0.000 -0.000 0.000 3/42000 810.0 2.165 2.165 2.557 0.000 -0.000 0.000 3/42000 820.0 2.137 2.137 2.525 0.000 -0.000 0.000 3/42000 830.0 2.111 2.111 2.494 0.000 -0.000 0.000 3/42000 840.0 2.085 2.085 2.464 0.000 -0.000 0.000 3/42000 850.0 2.059 2.059 2.435 0.000 -0.000 0.000 3/42000 860.0 2.034 2.034 2.406 0.000 -0.000 0.000 3/42000 870.0 2.010 2.010 2.378 0.000 -0.000 0.000 3/42000 880.0 1.986 1.986 2.351 0.000 -0.000 0.000 3/42000 890.0 1.963 1.963 2.324 0.000 -0.000 0.000 3/42000 900.0 1.941 1.941 2.298 0.000 -0.000 0.000 3/42000 910.0 1.919 1.919 2.272 0.000 -0.000 0.000 3/42000 920.0 1.897 1.897 2.247 0.000 -0.000 0.000 3/42000 930.0 1.876 1.876 2.223 0.000 -0.000 0.000 3/42000 940.0 1.855 1.855 2.199 0.000 -0.000 0.000 3/42000 950.0 1.835 1.835 2.176 0.000 -0.000 0.000 3/42000 960.0 1.816 1.816 2.153 0.000 -0.000 0.000 3/42000 970.0 1.796 1.796 2.131 0.000 -0.000 0.000 3/42000 980.0 1.777 1.777 2.109 0.000 -0.000 0.000 3/42000 990.0 1.759 1.759 2.087 0.000 -0.000 0.000 3/42000 1000.0 1.741 1.741 2.066 0.000 -0.000 0.000 3/42000Thermal conductivity related properties were written into "kappa-m101010.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 23:12:29]------------------------- _ ___ _ __ 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