# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/0bbc7387-d095-4300-a7eb-75db638f6009/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 SrLaBr5 / P2_1/m (11) / materials id 756437](https://mdr.nims.go.jp/datasets/e7fd0ad9-2800-4a7d-bac1-dea1f8b13c29) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 23:57:03]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [2 4 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/m (11)Number of symmetry operations in supercell: 32------------------------------ primitive cell ------------------------------Lattice vectors: a 7.948590720170551 0.000000000000000 0.000000000000000 b 0.000000000000000 4.403297270000000 0.000000000000000 c -0.006975901554267 0.000000000000000 13.578634484593293Atomic positions (fractional): *1 Sr 0.93547248984053 0.75000000000000 0.14611602153783 87.620 2 Sr 0.06452751015947 0.25000000000000 0.85388397846217 87.620 *3 La 0.57440294237361 0.25000000000000 0.34657814913422 138.905 4 La 0.42559705762639 0.75000000000000 0.65342185086578 138.905 *5 Br 0.94119291153772 0.25000000000000 0.32349643618067 79.904 *6 Br 0.84018536630414 0.75000000000000 0.92841596860231 79.904 *7 Br 0.68897595490718 0.75000000000000 0.48370789885162 79.904 *8 Br 0.64308071137118 0.25000000000000 0.13565835387300 79.904 *9 Br 0.64775043405548 0.25000000000000 0.71191499520062 79.904 10 Br 0.35224956594452 0.75000000000000 0.28808500479938 79.904 11 Br 0.35691928862882 0.75000000000000 0.86434164612700 79.904 12 Br 0.31102404509282 0.25000000000000 0.51629210114838 79.904 13 Br 0.15981463369586 0.25000000000000 0.07158403139769 79.904 14 Br 0.05880708846228 0.75000000000000 0.67650356381933 79.904-------------------------------- unit cell ---------------------------------Lattice vectors: a 7.948590720170551 0.000000000000000 0.000000000000000 b 0.000000000000000 4.403297270000000 0.000000000000000 c -0.006975901554267 0.000000000000000 13.578634484593293Atomic positions (fractional): *1 Sr 0.93547248984053 0.75000000000000 0.14611602153783 87.620 > 1 2 Sr 0.06452751015947 0.25000000000000 0.85388397846217 87.620 > 2 *3 La 0.57440294237361 0.25000000000000 0.34657814913422 138.905 > 3 4 La 0.42559705762639 0.75000000000000 0.65342185086578 138.905 > 4 *5 Br 0.94119291153772 0.25000000000000 0.32349643618067 79.904 > 5 *6 Br 0.84018536630414 0.75000000000000 0.92841596860231 79.904 > 6 *7 Br 0.68897595490718 0.75000000000000 0.48370789885162 79.904 > 7 *8 Br 0.64308071137118 0.25000000000000 0.13565835387300 79.904 > 8 *9 Br 0.64775043405548 0.25000000000000 0.71191499520062 79.904 > 9 10 Br 0.35224956594452 0.75000000000000 0.28808500479938 79.904 > 10 11 Br 0.35691928862882 0.75000000000000 0.86434164612700 79.904 > 11 12 Br 0.31102404509282 0.25000000000000 0.51629210114838 79.904 > 12 13 Br 0.15981463369586 0.25000000000000 0.07158403139769 79.904 > 13 14 Br 0.05880708846228 0.75000000000000 0.67650356381933 79.904 > 14-------------------------------- super cell --------------------------------Lattice vectors: a 15.897181440341102 0.000000000000000 0.000000000000000 b 0.000000000000000 17.613189080000001 0.000000000000000 c -0.006975901554267 0.000000000000000 13.578634484593293Atomic positions (fractional): *1 Sr 0.46773624492027 0.18750000000000 0.14611602153783 87.620 > 1 2 Sr 0.96773624492027 0.18750000000000 0.14611602153783 87.620 > 1 3 Sr 0.46773624492027 0.43750000000000 0.14611602153783 87.620 > 1 4 Sr 0.96773624492027 0.43750000000000 0.14611602153783 87.620 > 1 5 Sr 0.46773624492027 0.68750000000000 0.14611602153783 87.620 > 1 6 Sr 0.96773624492027 0.68750000000000 0.14611602153783 87.620 > 1 7 Sr 0.46773624492027 0.93750000000000 0.14611602153783 87.620 > 1 8 Sr 0.96773624492027 0.93750000000000 0.14611602153783 87.620 > 1 9 Sr 0.03226375507973 0.06250000000000 0.85388397846217 87.620 > 2 10 Sr 0.53226375507973 0.06250000000000 0.85388397846217 87.620 > 2 11 Sr 0.03226375507973 0.31250000000000 0.85388397846217 87.620 > 2 12 Sr 0.53226375507973 0.31250000000000 0.85388397846217 87.620 > 2 13 Sr 0.03226375507973 0.56250000000000 0.85388397846217 87.620 > 2 14 Sr 0.53226375507973 0.56250000000000 0.85388397846217 87.620 > 2 15 Sr 0.03226375507973 0.81250000000000 0.85388397846217 87.620 > 2 16 Sr 0.53226375507973 0.81250000000000 0.85388397846217 87.620 > 2 *17 La 0.28720147118681 0.06250000000000 0.34657814913422 138.905 > 3 18 La 0.78720147118681 0.06250000000000 0.34657814913422 138.905 > 3 19 La 0.28720147118681 0.31250000000000 0.34657814913422 138.905 > 3 20 La 0.78720147118681 0.31250000000000 0.34657814913422 138.905 > 3 21 La 0.28720147118681 0.56250000000000 0.34657814913422 138.905 > 3 22 La 0.78720147118681 0.56250000000000 0.34657814913422 138.905 > 3 23 La 0.28720147118681 0.81250000000000 0.34657814913422 138.905 > 3 24 La 0.78720147118681 0.81250000000000 0.34657814913422 138.905 > 3 25 La 0.21279852881319 0.18750000000000 0.65342185086578 138.905 > 4 26 La 0.71279852881319 0.18750000000000 0.65342185086578 138.905 > 4 27 La 0.21279852881319 0.43750000000000 0.65342185086578 138.905 > 4 28 La 0.71279852881319 0.43750000000000 0.65342185086578 138.905 > 4 29 La 0.21279852881319 0.68750000000000 0.65342185086578 138.905 > 4 30 La 0.71279852881319 0.68750000000000 0.65342185086578 138.905 > 4 31 La 0.21279852881319 0.93750000000000 0.65342185086578 138.905 > 4 32 La 0.71279852881319 0.93750000000000 0.65342185086578 138.905 > 4 *33 Br 0.47059645576886 0.06250000000000 0.32349643618067 79.904 > 5 34 Br 0.97059645576886 0.06250000000000 0.32349643618067 79.904 > 5 35 Br 0.47059645576886 0.31250000000000 0.32349643618067 79.904 > 5 36 Br 0.97059645576886 0.31250000000000 0.32349643618067 79.904 > 5 37 Br 0.47059645576886 0.56250000000000 0.32349643618067 79.904 > 5 38 Br 0.97059645576886 0.56250000000000 0.32349643618067 79.904 > 5 39 Br 0.47059645576886 0.81250000000000 0.32349643618067 79.904 > 5 40 Br 0.97059645576886 0.81250000000000 0.32349643618067 79.904 > 5 *41 Br 0.42009268315207 0.18750000000000 0.92841596860231 79.904 > 6 42 Br 0.92009268315207 0.18750000000000 0.92841596860231 79.904 > 6 43 Br 0.42009268315207 0.43750000000000 0.92841596860231 79.904 > 6 44 Br 0.92009268315207 0.43750000000000 0.92841596860231 79.904 > 6 45 Br 0.42009268315207 0.68750000000000 0.92841596860231 79.904 > 6 46 Br 0.92009268315207 0.68750000000000 0.92841596860231 79.904 > 6 47 Br 0.42009268315207 0.93750000000000 0.92841596860231 79.904 > 6 48 Br 0.92009268315207 0.93750000000000 0.92841596860231 79.904 > 6 *49 Br 0.34448797745359 0.18750000000000 0.48370789885162 79.904 > 7 50 Br 0.84448797745359 0.18750000000000 0.48370789885162 79.904 > 7 51 Br 0.34448797745359 0.43750000000000 0.48370789885162 79.904 > 7 52 Br 0.84448797745359 0.43750000000000 0.48370789885162 79.904 > 7 53 Br 0.34448797745359 0.68750000000000 0.48370789885162 79.904 > 7 54 Br 0.84448797745359 0.68750000000000 0.48370789885162 79.904 > 7 55 Br 0.34448797745359 0.93750000000000 0.48370789885162 79.904 > 7 56 Br 0.84448797745359 0.93750000000000 0.48370789885162 79.904 > 7 *57 Br 0.32154035568559 0.06250000000000 0.13565835387300 79.904 > 8 58 Br 0.82154035568559 0.06250000000000 0.13565835387300 79.904 > 8 59 Br 0.32154035568559 0.31250000000000 0.13565835387300 79.904 > 8 60 Br 0.82154035568559 0.31250000000000 0.13565835387300 79.904 > 8 61 Br 0.32154035568559 0.56250000000000 0.13565835387300 79.904 > 8 62 Br 0.82154035568559 0.56250000000000 0.13565835387300 79.904 > 8 63 Br 0.32154035568559 0.81250000000000 0.13565835387300 79.904 > 8 64 Br 0.82154035568559 0.81250000000000 0.13565835387300 79.904 > 8 *65 Br 0.32387521702774 0.06250000000000 0.71191499520062 79.904 > 9 66 Br 0.82387521702774 0.06250000000000 0.71191499520062 79.904 > 9 67 Br 0.32387521702774 0.31250000000000 0.71191499520062 79.904 > 9 68 Br 0.82387521702774 0.31250000000000 0.71191499520062 79.904 > 9 69 Br 0.32387521702774 0.56250000000000 0.71191499520062 79.904 > 9 70 Br 0.82387521702774 0.56250000000000 0.71191499520062 79.904 > 9 71 Br 0.32387521702774 0.81250000000000 0.71191499520062 79.904 > 9 72 Br 0.82387521702774 0.81250000000000 0.71191499520062 79.904 > 9 73 Br 0.17612478297226 0.18750000000000 0.28808500479938 79.904 > 10 74 Br 0.67612478297226 0.18750000000000 0.28808500479938 79.904 > 10 75 Br 0.17612478297226 0.43750000000000 0.28808500479938 79.904 > 10 76 Br 0.67612478297226 0.43750000000000 0.28808500479938 79.904 > 10 77 Br 0.17612478297226 0.68750000000000 0.28808500479938 79.904 > 10 78 Br 0.67612478297226 0.68750000000000 0.28808500479938 79.904 > 10 79 Br 0.17612478297226 0.93750000000000 0.28808500479938 79.904 > 10 80 Br 0.67612478297226 0.93750000000000 0.28808500479938 79.904 > 10 81 Br 0.17845964431441 0.18750000000000 0.86434164612700 79.904 > 11 82 Br 0.67845964431441 0.18750000000000 0.86434164612700 79.904 > 11 83 Br 0.17845964431441 0.43750000000000 0.86434164612700 79.904 > 11 84 Br 0.67845964431441 0.43750000000000 0.86434164612700 79.904 > 11 85 Br 0.17845964431441 0.68750000000000 0.86434164612700 79.904 > 11 86 Br 0.67845964431441 0.68750000000000 0.86434164612700 79.904 > 11 87 Br 0.17845964431441 0.93750000000000 0.86434164612700 79.904 > 11 88 Br 0.67845964431441 0.93750000000000 0.86434164612700 79.904 > 11 89 Br 0.15551202254641 0.06250000000000 0.51629210114838 79.904 > 12 90 Br 0.65551202254641 0.06250000000000 0.51629210114838 79.904 > 12 91 Br 0.15551202254641 0.31250000000000 0.51629210114838 79.904 > 12 92 Br 0.65551202254641 0.31250000000000 0.51629210114838 79.904 > 12 93 Br 0.15551202254641 0.56250000000000 0.51629210114838 79.904 > 12 94 Br 0.65551202254641 0.56250000000000 0.51629210114838 79.904 > 12 95 Br 0.15551202254641 0.81250000000000 0.51629210114838 79.904 > 12 96 Br 0.65551202254641 0.81250000000000 0.51629210114838 79.904 > 12 97 Br 0.07990731684793 0.06250000000000 0.07158403139769 79.904 > 13 98 Br 0.57990731684793 0.06250000000000 0.07158403139769 79.904 > 13 99 Br 0.07990731684793 0.31250000000000 0.07158403139769 79.904 > 13 100 Br 0.57990731684793 0.31250000000000 0.07158403139769 79.904 > 13 101 Br 0.07990731684793 0.56250000000000 0.07158403139769 79.904 > 13 102 Br 0.57990731684793 0.56250000000000 0.07158403139769 79.904 > 13 103 Br 0.07990731684793 0.81250000000000 0.07158403139769 79.904 > 13 104 Br 0.57990731684793 0.81250000000000 0.07158403139769 79.904 > 13 105 Br 0.02940354423114 0.18750000000000 0.67650356381933 79.904 > 14 106 Br 0.52940354423114 0.18750000000000 0.67650356381933 79.904 > 14 107 Br 0.02940354423114 0.43750000000000 0.67650356381933 79.904 > 14 108 Br 0.52940354423114 0.43750000000000 0.67650356381933 79.904 > 14 109 Br 0.02940354423114 0.68750000000000 0.67650356381933 79.904 > 14 110 Br 0.52940354423114 0.68750000000000 0.67650356381933 79.904 > 14 111 Br 0.02940354423114 0.93750000000000 0.67650356381933 79.904 > 14 112 Br 0.52940354423114 0.93750000000000 0.67650356381933 79.904 > 14----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 3.5222624 0.0000000 -0.2132505 0.0000000 3.7682086 0.0000000 -0.2132501 0.0000000 3.6988230-------------------------- Born effective charges -------------------------- 1 Sr 2.0661237 0.0000000 -0.2845051 0.0000000 2.7573148 0.0000000 -0.3124232 0.0000000 2.4364868 2 Sr 2.0661237 0.0000000 -0.2845051 0.0000000 2.7573148 0.0000000 -0.3124232 0.0000000 2.4364868 3 La 3.0828522 0.0000000 -0.5390285 0.0000000 3.9317872 0.0000000 -0.4928205 0.0000000 3.5483660 4 La 3.0828522 0.0000000 -0.5390285 0.0000000 3.9317872 0.0000000 -0.4928205 0.0000000 3.5483660 5 Br -1.5684383 0.0000000 0.3354083 0.0000000 -0.9834478 0.0000000 0.3089331 0.0000000 -0.9489246 6 Br -0.8874627 0.0000000 0.1910030 0.0000000 -1.2789903 0.0000000 0.1766431 0.0000000 -1.4697515 7 Br -0.5791594 0.0000000 0.2430795 0.0000000 -1.5138779 0.0000000 0.2327817 0.0000000 -1.4721925 8 Br -0.9150066 0.0000000 0.3970394 0.0000000 -0.9994564 0.0000000 0.4505695 0.0000000 -1.4690399 9 Br -1.1989087 0.0000000 -0.3429966 0.0000000 -1.9133296 0.0000000 -0.3636838 0.0000000 -0.6249444 10 Br -1.1989087 0.0000000 -0.3429966 0.0000000 -1.9133296 0.0000000 -0.3636838 0.0000000 -0.6249444 11 Br -0.9150066 0.0000000 0.3970394 0.0000000 -0.9994564 0.0000000 0.4505695 0.0000000 -1.4690399 12 Br -0.5791594 0.0000000 0.2430795 0.0000000 -1.5138779 0.0000000 0.2327817 0.0000000 -1.4721925 13 Br -0.8874627 0.0000000 0.1910030 0.0000000 -1.2789903 0.0000000 0.1766431 0.0000000 -1.4697515 14 Br -1.5684383 0.0000000 0.3354083 0.0000000 -0.9834478 0.0000000 0.3089331 0.0000000 -0.9489246----------------------------------------------------------------------------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: 336/336Permutation basis: 7476/7476Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1918Number of blocks in projector: 1918Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 490Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 294Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 294Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 280Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 280Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 280Use standard eigh solver.Tree of FC basis block matrices:- (1918, 1884), data: False|-- (280, 273), data: True|-- (280, 273), data: True|-- (280, 273), data: True|-- (294, 294), data: True|-- (294, 294), data: True|-- (490, 477), data: True-----Solver_atoms: 1 -- 112 / 112Time (Solver_compr_matrix_reshape): 0.004Solver_block: 100 / 480 - Time: 3.075Solver_block: 200 / 480 - Time: 3.098Solver_block: 300 / 480 - Time: 3.107Solver_block: 400 / 480 - Time: 3.097Solver_block: 480 / 480 - Time: 2.504Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.934--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 336/336Permutation basis: 7476/7476Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1918Number of blocks in projector: 1918Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 490Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 294Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 294Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 280Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 280Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 280Use standard eigh solver.Tree of FC basis block matrices:- (1918, 1884), data: False|-- (280, 273), data: True|-- (280, 273), data: True|-- (280, 273), data: True|-- (294, 294), data: True|-- (294, 294), data: True|-- (490, 477), data: TrueMax drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 23:57:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 23:57:39]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [2 4 1]Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/m (11)------------------------------ primitive cell ------------------------------Lattice vectors: a 7.948590720170551 0.000000000000000 0.000000000000000 b 0.000000000000000 4.403297270000000 0.000000000000000 c -0.006975901554267 0.000000000000000 13.578634484593293Atomic positions (fractional): 1 Sr 0.93547248984053 0.75000000000000 0.14611602153783 87.620 2 Sr 0.06452751015947 0.25000000000000 0.85388397846217 87.620 3 La 0.57440294237361 0.25000000000000 0.34657814913422 138.905 4 La 0.42559705762639 0.75000000000000 0.65342185086578 138.905 5 Br 0.94119291153772 0.25000000000000 0.32349643618067 79.904 6 Br 0.84018536630414 0.75000000000000 0.92841596860231 79.904 7 Br 0.68897595490718 0.75000000000000 0.48370789885162 79.904 8 Br 0.64308071137118 0.25000000000000 0.13565835387300 79.904 9 Br 0.64775043405548 0.25000000000000 0.71191499520062 79.904 10 Br 0.35224956594452 0.75000000000000 0.28808500479938 79.904 11 Br 0.35691928862882 0.75000000000000 0.86434164612700 79.904 12 Br 0.31102404509282 0.25000000000000 0.51629210114838 79.904 13 Br 0.15981463369586 0.25000000000000 0.07158403139769 79.904 14 Br 0.05880708846228 0.75000000000000 0.67650356381933 79.904-------------------------------- supercell ---------------------------------Lattice vectors: a 15.897181440341102 0.000000000000000 0.000000000000000 b 0.000000000000000 17.613189080000001 0.000000000000000 c -0.006975901554267 0.000000000000000 13.578634484593293Atomic positions (fractional): 1 Sr 0.46773624492027 0.18750000000000 0.14611602153783 87.620 > 1 2 Sr 0.96773624492027 0.18750000000000 0.14611602153783 87.620 > 1 3 Sr 0.46773624492027 0.43750000000000 0.14611602153783 87.620 > 1 4 Sr 0.96773624492027 0.43750000000000 0.14611602153783 87.620 > 1 5 Sr 0.46773624492027 0.68750000000000 0.14611602153783 87.620 > 1 6 Sr 0.96773624492027 0.68750000000000 0.14611602153783 87.620 > 1 7 Sr 0.46773624492027 0.93750000000000 0.14611602153783 87.620 > 1 8 Sr 0.96773624492027 0.93750000000000 0.14611602153783 87.620 > 1 9 Sr 0.03226375507973 0.06250000000000 0.85388397846217 87.620 > 9 10 Sr 0.53226375507973 0.06250000000000 0.85388397846217 87.620 > 9 11 Sr 0.03226375507973 0.31250000000000 0.85388397846217 87.620 > 9 12 Sr 0.53226375507973 0.31250000000000 0.85388397846217 87.620 > 9 13 Sr 0.03226375507973 0.56250000000000 0.85388397846217 87.620 > 9 14 Sr 0.53226375507973 0.56250000000000 0.85388397846217 87.620 > 9 15 Sr 0.03226375507973 0.81250000000000 0.85388397846217 87.620 > 9 16 Sr 0.53226375507973 0.81250000000000 0.85388397846217 87.620 > 9 17 La 0.28720147118681 0.06250000000000 0.34657814913422 138.905 > 17 18 La 0.78720147118681 0.06250000000000 0.34657814913422 138.905 > 17 19 La 0.28720147118681 0.31250000000000 0.34657814913422 138.905 > 17 20 La 0.78720147118681 0.31250000000000 0.34657814913422 138.905 > 17 21 La 0.28720147118681 0.56250000000000 0.34657814913422 138.905 > 17 22 La 0.78720147118681 0.56250000000000 0.34657814913422 138.905 > 17 23 La 0.28720147118681 0.81250000000000 0.34657814913422 138.905 > 17 24 La 0.78720147118681 0.81250000000000 0.34657814913422 138.905 > 17 25 La 0.21279852881319 0.18750000000000 0.65342185086578 138.905 > 25 26 La 0.71279852881319 0.18750000000000 0.65342185086578 138.905 > 25 27 La 0.21279852881319 0.43750000000000 0.65342185086578 138.905 > 25 28 La 0.71279852881319 0.43750000000000 0.65342185086578 138.905 > 25 29 La 0.21279852881319 0.68750000000000 0.65342185086578 138.905 > 25 30 La 0.71279852881319 0.68750000000000 0.65342185086578 138.905 > 25 31 La 0.21279852881319 0.93750000000000 0.65342185086578 138.905 > 25 32 La 0.71279852881319 0.93750000000000 0.65342185086578 138.905 > 25 33 Br 0.47059645576886 0.06250000000000 0.32349643618067 79.904 > 33 34 Br 0.97059645576886 0.06250000000000 0.32349643618067 79.904 > 33 35 Br 0.47059645576886 0.31250000000000 0.32349643618067 79.904 > 33 36 Br 0.97059645576886 0.31250000000000 0.32349643618067 79.904 > 33 37 Br 0.47059645576886 0.56250000000000 0.32349643618067 79.904 > 33 38 Br 0.97059645576886 0.56250000000000 0.32349643618067 79.904 > 33 39 Br 0.47059645576886 0.81250000000000 0.32349643618067 79.904 > 33 40 Br 0.97059645576886 0.81250000000000 0.32349643618067 79.904 > 33 41 Br 0.42009268315207 0.18750000000000 0.92841596860231 79.904 > 41 42 Br 0.92009268315207 0.18750000000000 0.92841596860231 79.904 > 41 43 Br 0.42009268315207 0.43750000000000 0.92841596860231 79.904 > 41 44 Br 0.92009268315207 0.43750000000000 0.92841596860231 79.904 > 41 45 Br 0.42009268315207 0.68750000000000 0.92841596860231 79.904 > 41 46 Br 0.92009268315207 0.68750000000000 0.92841596860231 79.904 > 41 47 Br 0.42009268315207 0.93750000000000 0.92841596860231 79.904 > 41 48 Br 0.92009268315207 0.93750000000000 0.92841596860231 79.904 > 41 49 Br 0.34448797745359 0.18750000000000 0.48370789885162 79.904 > 49 50 Br 0.84448797745359 0.18750000000000 0.48370789885162 79.904 > 49 51 Br 0.34448797745359 0.43750000000000 0.48370789885162 79.904 > 49 52 Br 0.84448797745359 0.43750000000000 0.48370789885162 79.904 > 49 53 Br 0.34448797745359 0.68750000000000 0.48370789885162 79.904 > 49 54 Br 0.84448797745359 0.68750000000000 0.48370789885162 79.904 > 49 55 Br 0.34448797745359 0.93750000000000 0.48370789885162 79.904 > 49 56 Br 0.84448797745359 0.93750000000000 0.48370789885162 79.904 > 49 57 Br 0.32154035568559 0.06250000000000 0.13565835387300 79.904 > 57 58 Br 0.82154035568559 0.06250000000000 0.13565835387300 79.904 > 57 59 Br 0.32154035568559 0.31250000000000 0.13565835387300 79.904 > 57 60 Br 0.82154035568559 0.31250000000000 0.13565835387300 79.904 > 57 61 Br 0.32154035568559 0.56250000000000 0.13565835387300 79.904 > 57 62 Br 0.82154035568559 0.56250000000000 0.13565835387300 79.904 > 57 63 Br 0.32154035568559 0.81250000000000 0.13565835387300 79.904 > 57 64 Br 0.82154035568559 0.81250000000000 0.13565835387300 79.904 > 57 65 Br 0.32387521702774 0.06250000000000 0.71191499520062 79.904 > 65 66 Br 0.82387521702774 0.06250000000000 0.71191499520062 79.904 > 65 67 Br 0.32387521702774 0.31250000000000 0.71191499520062 79.904 > 65 68 Br 0.82387521702774 0.31250000000000 0.71191499520062 79.904 > 65 69 Br 0.32387521702774 0.56250000000000 0.71191499520062 79.904 > 65 70 Br 0.82387521702774 0.56250000000000 0.71191499520062 79.904 > 65 71 Br 0.32387521702774 0.81250000000000 0.71191499520062 79.904 > 65 72 Br 0.82387521702774 0.81250000000000 0.71191499520062 79.904 > 65 73 Br 0.17612478297226 0.18750000000000 0.28808500479938 79.904 > 73 74 Br 0.67612478297226 0.18750000000000 0.28808500479938 79.904 > 73 75 Br 0.17612478297226 0.43750000000000 0.28808500479938 79.904 > 73 76 Br 0.67612478297226 0.43750000000000 0.28808500479938 79.904 > 73 77 Br 0.17612478297226 0.68750000000000 0.28808500479938 79.904 > 73 78 Br 0.67612478297226 0.68750000000000 0.28808500479938 79.904 > 73 79 Br 0.17612478297226 0.93750000000000 0.28808500479938 79.904 > 73 80 Br 0.67612478297226 0.93750000000000 0.28808500479938 79.904 > 73 81 Br 0.17845964431441 0.18750000000000 0.86434164612700 79.904 > 81 82 Br 0.67845964431441 0.18750000000000 0.86434164612700 79.904 > 81 83 Br 0.17845964431441 0.43750000000000 0.86434164612700 79.904 > 81 84 Br 0.67845964431441 0.43750000000000 0.86434164612700 79.904 > 81 85 Br 0.17845964431441 0.68750000000000 0.86434164612700 79.904 > 81 86 Br 0.67845964431441 0.68750000000000 0.86434164612700 79.904 > 81 87 Br 0.17845964431441 0.93750000000000 0.86434164612700 79.904 > 81 88 Br 0.67845964431441 0.93750000000000 0.86434164612700 79.904 > 81 89 Br 0.15551202254641 0.06250000000000 0.51629210114838 79.904 > 89 90 Br 0.65551202254641 0.06250000000000 0.51629210114838 79.904 > 89 91 Br 0.15551202254641 0.31250000000000 0.51629210114838 79.904 > 89 92 Br 0.65551202254641 0.31250000000000 0.51629210114838 79.904 > 89 93 Br 0.15551202254641 0.56250000000000 0.51629210114838 79.904 > 89 94 Br 0.65551202254641 0.56250000000000 0.51629210114838 79.904 > 89 95 Br 0.15551202254641 0.81250000000000 0.51629210114838 79.904 > 89 96 Br 0.65551202254641 0.81250000000000 0.51629210114838 79.904 > 89 97 Br 0.07990731684793 0.06250000000000 0.07158403139769 79.904 > 97 98 Br 0.57990731684793 0.06250000000000 0.07158403139769 79.904 > 97 99 Br 0.07990731684793 0.31250000000000 0.07158403139769 79.904 > 97 100 Br 0.57990731684793 0.31250000000000 0.07158403139769 79.904 > 97 101 Br 0.07990731684793 0.56250000000000 0.07158403139769 79.904 > 97 102 Br 0.57990731684793 0.56250000000000 0.07158403139769 79.904 > 97 103 Br 0.07990731684793 0.81250000000000 0.07158403139769 79.904 > 97 104 Br 0.57990731684793 0.81250000000000 0.07158403139769 79.904 > 97 105 Br 0.02940354423114 0.18750000000000 0.67650356381933 79.904 > 105 106 Br 0.52940354423114 0.18750000000000 0.67650356381933 79.904 > 105 107 Br 0.02940354423114 0.43750000000000 0.67650356381933 79.904 > 105 108 Br 0.52940354423114 0.43750000000000 0.67650356381933 79.904 > 105 109 Br 0.02940354423114 0.68750000000000 0.67650356381933 79.904 > 105 110 Br 0.52940354423114 0.68750000000000 0.67650356381933 79.904 > 105 111 Br 0.02940354423114 0.93750000000000 0.67650356381933 79.904 > 105 112 Br 0.52940354423114 0.93750000000000 0.67650356381933 79.904 > 105----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 3.5222624 0.0000000 -0.2132505 0.0000000 3.7682086 0.0000000 -0.2132501 0.0000000 3.6988230-------------------------- Born effective charges -------------------------- 1 Sr 2.0661237 0.0000000 -0.2845051 0.0000000 2.7573148 0.0000000 -0.3124232 0.0000000 2.4364868 2 Sr 2.0661237 0.0000000 -0.2845051 0.0000000 2.7573148 0.0000000 -0.3124232 0.0000000 2.4364868 3 La 3.0828522 0.0000000 -0.5390285 0.0000000 3.9317872 0.0000000 -0.4928205 0.0000000 3.5483660 4 La 3.0828522 0.0000000 -0.5390285 0.0000000 3.9317872 0.0000000 -0.4928205 0.0000000 3.5483660 5 Br -1.5684383 0.0000000 0.3354083 0.0000000 -0.9834478 0.0000000 0.3089331 0.0000000 -0.9489246 6 Br -0.8874627 0.0000000 0.1910030 0.0000000 -1.2789903 0.0000000 0.1766431 0.0000000 -1.4697515 7 Br -0.5791594 0.0000000 0.2430795 0.0000000 -1.5138779 0.0000000 0.2327817 0.0000000 -1.4721925 8 Br -0.9150066 0.0000000 0.3970394 0.0000000 -0.9994564 0.0000000 0.4505695 0.0000000 -1.4690399 9 Br -1.1989087 0.0000000 -0.3429966 0.0000000 -1.9133296 0.0000000 -0.3636838 0.0000000 -0.6249444 10 Br -1.1989087 0.0000000 -0.3429966 0.0000000 -1.9133296 0.0000000 -0.3636838 0.0000000 -0.6249444 11 Br -0.9150066 0.0000000 0.3970394 0.0000000 -0.9994564 0.0000000 0.4505695 0.0000000 -1.4690399 12 Br -0.5791594 0.0000000 0.2430795 0.0000000 -1.5138779 0.0000000 0.2327817 0.0000000 -1.4721925 13 Br -0.8874627 0.0000000 0.1910030 0.0000000 -1.2789903 0.0000000 0.1766431 0.0000000 -1.4697515 14 Br -1.5684383 0.0000000 0.3354083 0.0000000 -0.9834478 0.0000000 0.3089331 0.0000000 -0.9489246----------------------------------------------------------------------------Sets of supercell forces were read from "FORCES_FC3.xz".Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".----------------------------- Force constants ------------------------------Computing fc3[ 1, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 17, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 33, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 41, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 49, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 57, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 65, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 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: 0.00000005 (xxx) 0.00000005 (xxx) 0.00000005 (xxx)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000001 (zx) 0.00000001 (zx) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 23:58:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 23:58:01]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [2 4 1]Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/m (11)------------------------------ primitive cell ------------------------------Lattice vectors: a 7.948590720170551 0.000000000000000 0.000000000000000 b 0.000000000000000 4.403297270000000 0.000000000000000 c -0.006975901554267 0.000000000000000 13.578634484593293Atomic positions (fractional): 1 Sr 0.93547248984053 0.75000000000000 0.14611602153783 87.620 2 Sr 0.06452751015947 0.25000000000000 0.85388397846217 87.620 3 La 0.57440294237361 0.25000000000000 0.34657814913422 138.905 4 La 0.42559705762639 0.75000000000000 0.65342185086578 138.905 5 Br 0.94119291153772 0.25000000000000 0.32349643618067 79.904 6 Br 0.84018536630414 0.75000000000000 0.92841596860231 79.904 7 Br 0.68897595490718 0.75000000000000 0.48370789885162 79.904 8 Br 0.64308071137118 0.25000000000000 0.13565835387300 79.904 9 Br 0.64775043405548 0.25000000000000 0.71191499520062 79.904 10 Br 0.35224956594452 0.75000000000000 0.28808500479938 79.904 11 Br 0.35691928862882 0.75000000000000 0.86434164612700 79.904 12 Br 0.31102404509282 0.25000000000000 0.51629210114838 79.904 13 Br 0.15981463369586 0.25000000000000 0.07158403139769 79.904 14 Br 0.05880708846228 0.75000000000000 0.67650356381933 79.904-------------------------------- supercell ---------------------------------Lattice vectors: a 15.897181440341102 0.000000000000000 0.000000000000000 b 0.000000000000000 17.613189080000001 0.000000000000000 c -0.006975901554267 0.000000000000000 13.578634484593293Atomic positions (fractional): 1 Sr 0.46773624492027 0.18750000000000 0.14611602153783 87.620 > 1 2 Sr 0.96773624492027 0.18750000000000 0.14611602153783 87.620 > 1 3 Sr 0.46773624492027 0.43750000000000 0.14611602153783 87.620 > 1 4 Sr 0.96773624492027 0.43750000000000 0.14611602153783 87.620 > 1 5 Sr 0.46773624492027 0.68750000000000 0.14611602153783 87.620 > 1 6 Sr 0.96773624492027 0.68750000000000 0.14611602153783 87.620 > 1 7 Sr 0.46773624492027 0.93750000000000 0.14611602153783 87.620 > 1 8 Sr 0.96773624492027 0.93750000000000 0.14611602153783 87.620 > 1 9 Sr 0.03226375507973 0.06250000000000 0.85388397846217 87.620 > 9 10 Sr 0.53226375507973 0.06250000000000 0.85388397846217 87.620 > 9 11 Sr 0.03226375507973 0.31250000000000 0.85388397846217 87.620 > 9 12 Sr 0.53226375507973 0.31250000000000 0.85388397846217 87.620 > 9 13 Sr 0.03226375507973 0.56250000000000 0.85388397846217 87.620 > 9 14 Sr 0.53226375507973 0.56250000000000 0.85388397846217 87.620 > 9 15 Sr 0.03226375507973 0.81250000000000 0.85388397846217 87.620 > 9 16 Sr 0.53226375507973 0.81250000000000 0.85388397846217 87.620 > 9 17 La 0.28720147118681 0.06250000000000 0.34657814913422 138.905 > 17 18 La 0.78720147118681 0.06250000000000 0.34657814913422 138.905 > 17 19 La 0.28720147118681 0.31250000000000 0.34657814913422 138.905 > 17 20 La 0.78720147118681 0.31250000000000 0.34657814913422 138.905 > 17 21 La 0.28720147118681 0.56250000000000 0.34657814913422 138.905 > 17 22 La 0.78720147118681 0.56250000000000 0.34657814913422 138.905 > 17 23 La 0.28720147118681 0.81250000000000 0.34657814913422 138.905 > 17 24 La 0.78720147118681 0.81250000000000 0.34657814913422 138.905 > 17 25 La 0.21279852881319 0.18750000000000 0.65342185086578 138.905 > 25 26 La 0.71279852881319 0.18750000000000 0.65342185086578 138.905 > 25 27 La 0.21279852881319 0.43750000000000 0.65342185086578 138.905 > 25 28 La 0.71279852881319 0.43750000000000 0.65342185086578 138.905 > 25 29 La 0.21279852881319 0.68750000000000 0.65342185086578 138.905 > 25 30 La 0.71279852881319 0.68750000000000 0.65342185086578 138.905 > 25 31 La 0.21279852881319 0.93750000000000 0.65342185086578 138.905 > 25 32 La 0.71279852881319 0.93750000000000 0.65342185086578 138.905 > 25 33 Br 0.47059645576886 0.06250000000000 0.32349643618067 79.904 > 33 34 Br 0.97059645576886 0.06250000000000 0.32349643618067 79.904 > 33 35 Br 0.47059645576886 0.31250000000000 0.32349643618067 79.904 > 33 36 Br 0.97059645576886 0.31250000000000 0.32349643618067 79.904 > 33 37 Br 0.47059645576886 0.56250000000000 0.32349643618067 79.904 > 33 38 Br 0.97059645576886 0.56250000000000 0.32349643618067 79.904 > 33 39 Br 0.47059645576886 0.81250000000000 0.32349643618067 79.904 > 33 40 Br 0.97059645576886 0.81250000000000 0.32349643618067 79.904 > 33 41 Br 0.42009268315207 0.18750000000000 0.92841596860231 79.904 > 41 42 Br 0.92009268315207 0.18750000000000 0.92841596860231 79.904 > 41 43 Br 0.42009268315207 0.43750000000000 0.92841596860231 79.904 > 41 44 Br 0.92009268315207 0.43750000000000 0.92841596860231 79.904 > 41 45 Br 0.42009268315207 0.68750000000000 0.92841596860231 79.904 > 41 46 Br 0.92009268315207 0.68750000000000 0.92841596860231 79.904 > 41 47 Br 0.42009268315207 0.93750000000000 0.92841596860231 79.904 > 41 48 Br 0.92009268315207 0.93750000000000 0.92841596860231 79.904 > 41 49 Br 0.34448797745359 0.18750000000000 0.48370789885162 79.904 > 49 50 Br 0.84448797745359 0.18750000000000 0.48370789885162 79.904 > 49 51 Br 0.34448797745359 0.43750000000000 0.48370789885162 79.904 > 49 52 Br 0.84448797745359 0.43750000000000 0.48370789885162 79.904 > 49 53 Br 0.34448797745359 0.68750000000000 0.48370789885162 79.904 > 49 54 Br 0.84448797745359 0.68750000000000 0.48370789885162 79.904 > 49 55 Br 0.34448797745359 0.93750000000000 0.48370789885162 79.904 > 49 56 Br 0.84448797745359 0.93750000000000 0.48370789885162 79.904 > 49 57 Br 0.32154035568559 0.06250000000000 0.13565835387300 79.904 > 57 58 Br 0.82154035568559 0.06250000000000 0.13565835387300 79.904 > 57 59 Br 0.32154035568559 0.31250000000000 0.13565835387300 79.904 > 57 60 Br 0.82154035568559 0.31250000000000 0.13565835387300 79.904 > 57 61 Br 0.32154035568559 0.56250000000000 0.13565835387300 79.904 > 57 62 Br 0.82154035568559 0.56250000000000 0.13565835387300 79.904 > 57 63 Br 0.32154035568559 0.81250000000000 0.13565835387300 79.904 > 57 64 Br 0.82154035568559 0.81250000000000 0.13565835387300 79.904 > 57 65 Br 0.32387521702774 0.06250000000000 0.71191499520062 79.904 > 65 66 Br 0.82387521702774 0.06250000000000 0.71191499520062 79.904 > 65 67 Br 0.32387521702774 0.31250000000000 0.71191499520062 79.904 > 65 68 Br 0.82387521702774 0.31250000000000 0.71191499520062 79.904 > 65 69 Br 0.32387521702774 0.56250000000000 0.71191499520062 79.904 > 65 70 Br 0.82387521702774 0.56250000000000 0.71191499520062 79.904 > 65 71 Br 0.32387521702774 0.81250000000000 0.71191499520062 79.904 > 65 72 Br 0.82387521702774 0.81250000000000 0.71191499520062 79.904 > 65 73 Br 0.17612478297226 0.18750000000000 0.28808500479938 79.904 > 73 74 Br 0.67612478297226 0.18750000000000 0.28808500479938 79.904 > 73 75 Br 0.17612478297226 0.43750000000000 0.28808500479938 79.904 > 73 76 Br 0.67612478297226 0.43750000000000 0.28808500479938 79.904 > 73 77 Br 0.17612478297226 0.68750000000000 0.28808500479938 79.904 > 73 78 Br 0.67612478297226 0.68750000000000 0.28808500479938 79.904 > 73 79 Br 0.17612478297226 0.93750000000000 0.28808500479938 79.904 > 73 80 Br 0.67612478297226 0.93750000000000 0.28808500479938 79.904 > 73 81 Br 0.17845964431441 0.18750000000000 0.86434164612700 79.904 > 81 82 Br 0.67845964431441 0.18750000000000 0.86434164612700 79.904 > 81 83 Br 0.17845964431441 0.43750000000000 0.86434164612700 79.904 > 81 84 Br 0.67845964431441 0.43750000000000 0.86434164612700 79.904 > 81 85 Br 0.17845964431441 0.68750000000000 0.86434164612700 79.904 > 81 86 Br 0.67845964431441 0.68750000000000 0.86434164612700 79.904 > 81 87 Br 0.17845964431441 0.93750000000000 0.86434164612700 79.904 > 81 88 Br 0.67845964431441 0.93750000000000 0.86434164612700 79.904 > 81 89 Br 0.15551202254641 0.06250000000000 0.51629210114838 79.904 > 89 90 Br 0.65551202254641 0.06250000000000 0.51629210114838 79.904 > 89 91 Br 0.15551202254641 0.31250000000000 0.51629210114838 79.904 > 89 92 Br 0.65551202254641 0.31250000000000 0.51629210114838 79.904 > 89 93 Br 0.15551202254641 0.56250000000000 0.51629210114838 79.904 > 89 94 Br 0.65551202254641 0.56250000000000 0.51629210114838 79.904 > 89 95 Br 0.15551202254641 0.81250000000000 0.51629210114838 79.904 > 89 96 Br 0.65551202254641 0.81250000000000 0.51629210114838 79.904 > 89 97 Br 0.07990731684793 0.06250000000000 0.07158403139769 79.904 > 97 98 Br 0.57990731684793 0.06250000000000 0.07158403139769 79.904 > 97 99 Br 0.07990731684793 0.31250000000000 0.07158403139769 79.904 > 97 100 Br 0.57990731684793 0.31250000000000 0.07158403139769 79.904 > 97 101 Br 0.07990731684793 0.56250000000000 0.07158403139769 79.904 > 97 102 Br 0.57990731684793 0.56250000000000 0.07158403139769 79.904 > 97 103 Br 0.07990731684793 0.81250000000000 0.07158403139769 79.904 > 97 104 Br 0.57990731684793 0.81250000000000 0.07158403139769 79.904 > 97 105 Br 0.02940354423114 0.18750000000000 0.67650356381933 79.904 > 105 106 Br 0.52940354423114 0.18750000000000 0.67650356381933 79.904 > 105 107 Br 0.02940354423114 0.43750000000000 0.67650356381933 79.904 > 105 108 Br 0.52940354423114 0.43750000000000 0.67650356381933 79.904 > 105 109 Br 0.02940354423114 0.68750000000000 0.67650356381933 79.904 > 105 110 Br 0.52940354423114 0.68750000000000 0.67650356381933 79.904 > 105 111 Br 0.02940354423114 0.93750000000000 0.67650356381933 79.904 > 105 112 Br 0.52940354423114 0.93750000000000 0.67650356381933 79.904 > 105----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 3.5222624 0.0000000 -0.2132505 0.0000000 3.7682086 0.0000000 -0.2132501 0.0000000 3.6988230-------------------------- Born effective charges -------------------------- 1 Sr 2.0661237 0.0000000 -0.2845051 0.0000000 2.7573148 0.0000000 -0.3124232 0.0000000 2.4364868 2 Sr 2.0661237 0.0000000 -0.2845051 0.0000000 2.7573148 0.0000000 -0.3124232 0.0000000 2.4364868 3 La 3.0828522 0.0000000 -0.5390285 0.0000000 3.9317872 0.0000000 -0.4928205 0.0000000 3.5483660 4 La 3.0828522 0.0000000 -0.5390285 0.0000000 3.9317872 0.0000000 -0.4928205 0.0000000 3.5483660 5 Br -1.5684383 0.0000000 0.3354083 0.0000000 -0.9834478 0.0000000 0.3089331 0.0000000 -0.9489246 6 Br -0.8874627 0.0000000 0.1910030 0.0000000 -1.2789903 0.0000000 0.1766431 0.0000000 -1.4697515 7 Br -0.5791594 0.0000000 0.2430795 0.0000000 -1.5138779 0.0000000 0.2327817 0.0000000 -1.4721925 8 Br -0.9150066 0.0000000 0.3970394 0.0000000 -0.9994564 0.0000000 0.4505695 0.0000000 -1.4690399 9 Br -1.1989087 0.0000000 -0.3429966 0.0000000 -1.9133296 0.0000000 -0.3636838 0.0000000 -0.6249444 10 Br -1.1989087 0.0000000 -0.3429966 0.0000000 -1.9133296 0.0000000 -0.3636838 0.0000000 -0.6249444 11 Br -0.9150066 0.0000000 0.3970394 0.0000000 -0.9994564 0.0000000 0.4505695 0.0000000 -1.4690399 12 Br -0.5791594 0.0000000 0.2430795 0.0000000 -1.5138779 0.0000000 0.2327817 0.0000000 -1.4721925 13 Br -0.8874627 0.0000000 0.1910030 0.0000000 -1.2789903 0.0000000 0.1766431 0.0000000 -1.4697515 14 Br -1.5684383 0.0000000 0.3354083 0.0000000 -0.9834478 0.0000000 0.3089331 0.0000000 -0.9489246----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000005 (xxx) 0.00000005 (xxx) 0.00000005 (xxx)Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- 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 ... [ 6 11 4 ]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: 0.53, Number of G-points: 315, Lambda: 0.11Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/84) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 84Calculating 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 0.753 ( 0.000 0.000 0.000) 0.000 0.790 ( 0.000 0.000 0.000) 0.000 1.114 ( 0.000 0.000 0.000) 0.000 1.143 ( 0.000 0.000 0.000) 0.000 1.310 ( 0.000 0.000 0.000) 0.000 1.418 ( 0.000 0.000 0.000) 0.000 1.489 ( 0.000 0.000 0.000) 0.000 1.595 ( 0.000 0.000 0.000) 0.000 1.708 ( 0.000 0.000 0.000) 0.000 1.764 ( 0.000 0.000 0.000) 0.000 1.912 ( 0.000 0.000 0.000) 0.000 2.080 ( 0.000 0.000 0.000) 0.000 2.155 ( 0.000 0.000 0.000) 0.000 2.226 ( 0.000 0.000 0.000) 0.000 2.523 ( 0.000 0.000 0.000) 0.000 2.621 ( 0.000 0.000 0.000) 0.000 2.648 ( 0.000 0.000 0.000) 0.000 3.098 ( 0.000 0.000 0.000) 0.000 3.235 ( 0.000 0.000 0.000) 0.000 3.286 ( 0.000 0.000 0.000) 0.000 3.350 ( 0.000 0.000 0.000) 0.000 3.398 ( 0.000 0.000 0.000) 0.000 3.472 ( 0.000 0.000 0.000) 0.000 3.491 ( 0.000 0.000 0.000) 0.000 3.659 ( 0.000 0.000 0.000) 0.000 3.728 ( 0.000 0.000 0.000) 0.000 3.768 ( 0.000 0.000 0.000) 0.000 3.769 ( 0.000 0.000 0.000) 0.000 4.059 ( 0.000 0.000 0.000) 0.000 4.127 ( 0.000 0.000 0.000) 0.000 4.188 ( 0.000 0.000 0.000) 0.000 4.243 ( 0.000 0.000 0.000) 0.000 4.276 ( 0.000 0.000 0.000) 0.000 4.384 ( 0.000 0.000 0.000) 0.000 4.454 ( 0.000 0.000 0.000) 0.000 4.999 ( 0.000 0.000 0.000) 0.000 5.178 ( 0.000 0.000 0.000) 0.000 5.233 ( 0.000 0.000 0.000) 0.000 5.548 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/84) =======================q-point: ( 0.17 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.275 ( 12.745 0.000 -8.772) 15.472 0.290 ( 13.066 0.000 -0.751) 13.088 0.388 ( 17.479 0.000 -14.824) 22.919 0.711 ( -1.185 0.000 5.612) 5.736 0.917 ( 6.563 0.000 -11.329) 13.093 1.015 ( -5.357 0.000 12.322) 13.436 1.245 ( 5.336 0.000 -9.256) 10.684 1.319 ( 0.676 0.000 5.630) 5.670 1.414 ( -0.353 0.000 -0.479) 0.595 1.472 ( -1.394 0.000 -1.131) 1.795 1.539 ( -5.140 0.000 6.245) 8.088 1.734 ( -2.750 0.000 2.646) 3.816 1.740 ( -1.336 0.000 1.960) 2.372 1.795 ( -4.780 0.000 4.007) 6.237 2.163 ( 0.686 0.000 -0.649) 0.944 2.227 ( 0.109 0.000 0.266) 0.288 2.229 ( 8.804 0.000 -13.186) 15.855 2.512 ( -1.186 0.000 0.398) 1.251 2.567 ( -2.363 0.000 1.102) 2.607 2.688 ( 1.368 0.000 0.657) 1.517 3.096 ( -0.298 0.000 0.105) 0.316 3.214 ( -1.492 0.000 -0.028) 1.492 3.287 ( 0.140 0.000 -0.008) 0.140 3.361 ( 0.739 0.000 -1.250) 1.452 3.399 ( 0.103 0.000 0.004) 0.103 3.469 ( -0.313 0.000 -0.975) 1.024 3.565 ( -2.377 0.000 -2.463) 3.422 3.656 ( -0.222 0.000 -1.332) 1.350 3.728 ( 0.034 0.000 0.008) 0.035 3.745 ( -2.221 0.000 2.158) 3.097 3.768 ( -0.012 0.000 -0.006) 0.013 4.042 ( -6.611 0.000 -0.363) 6.621 4.117 ( -7.668 0.000 4.965) 9.135 4.188 ( -0.054 0.000 0.000) 0.054 4.276 ( -0.054 0.000 -0.000) 0.054 4.335 ( 0.339 0.000 -10.363) 10.368 4.497 ( 4.907 0.000 -0.922) 4.992 4.543 ( 2.537 0.000 -22.455) 22.598 5.052 ( 1.247 0.000 6.196) 6.320 5.230 ( 5.018 0.000 -4.646) 6.839 5.532 ( -1.447 0.000 1.560) 2.128 5.818 ( 0.559 0.000 5.294) 5.323======================= Grid point 2 (3/84) =======================q-point: ( 0.33 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.526 ( 11.031 0.000 -9.243) 14.392 0.529 ( 9.178 0.000 2.641) 9.550 0.700 ( 5.271 0.000 -5.959) 7.955 0.721 ( 8.037 0.000 -9.683) 12.584 0.895 ( -6.247 0.000 11.577) 13.155 1.037 ( 3.854 0.000 -8.795) 9.602 1.324 ( -0.809 0.000 8.905) 8.942 1.337 ( 2.831 0.000 -3.360) 4.393 1.401 ( -1.123 0.000 0.022) 1.123 1.407 ( -5.896 0.000 10.872) 12.368 1.462 ( 1.774 0.000 -5.824) 6.088 1.655 ( -4.512 0.000 4.941) 6.691 1.683 ( -1.854 0.000 0.731) 1.993 1.767 ( -0.244 0.000 -0.712) 0.753 2.178 ( 0.636 0.000 -0.642) 0.904 2.230 ( 0.086 0.000 0.314) 0.325 2.369 ( 3.789 0.000 -8.000) 8.853 2.472 ( -1.947 0.000 0.923) 2.155 2.565 ( 2.131 0.000 -0.727) 2.252 2.695 ( -0.558 0.000 1.687) 1.777 3.089 ( -0.343 0.000 0.739) 0.815 3.190 ( -0.612 0.000 0.034) 0.613 3.291 ( 0.138 0.000 -0.008) 0.139 3.375 ( 0.757 0.000 -2.457) 2.571 3.401 ( 0.102 0.000 0.004) 0.102 3.452 ( -1.660 0.000 1.330) 2.127 3.512 ( -1.848 0.000 -0.340) 1.879 3.645 ( -1.570 0.000 -0.697) 1.718 3.686 ( -2.284 0.000 2.908) 3.698 3.729 ( 0.035 0.000 0.008) 0.036 3.768 ( -0.012 0.000 -0.006) 0.014 3.910 ( -4.499 0.000 0.041) 4.499 4.006 ( -3.294 0.000 1.519) 3.627 4.186 ( -0.055 0.000 0.000) 0.055 4.274 ( -0.054 0.000 -0.001) 0.054 4.327 ( -0.747 0.000 -1.395) 1.582 4.574 ( 2.688 0.000 -2.490) 3.664 4.615 ( 3.237 0.000 -10.886) 11.357 5.020 ( -2.569 0.000 6.134) 6.650 5.381 ( 6.848 0.000 -4.452) 8.168 5.498 ( -1.459 0.000 0.908) 1.719 5.826 ( 0.071 0.000 4.017) 4.017======================= Grid point 3 (4/84) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 42Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.641 ( 0.000 0.000 -0.000) 0.000 0.704 ( 0.000 0.000 0.000) 0.000 0.707 ( -0.000 0.000 0.000) 0.000 0.767 ( 0.000 0.000 -0.000) 0.000 0.881 ( 0.000 0.000 -0.000) 0.000 1.057 ( 0.000 0.000 0.000) 0.000 1.295 ( 0.000 0.000 -0.000) 0.000 1.352 ( 0.000 0.000 -0.000) 0.000 1.364 ( -0.000 0.000 0.000) 0.000 1.381 ( 0.000 0.000 -0.000) 0.000 1.527 ( 0.000 0.000 0.000) 0.000 1.570 ( 0.000 0.000 -0.000) 0.000 1.668 ( 0.000 0.000 0.000) 0.000 1.764 ( 0.000 0.000 0.000) 0.000 2.185 ( 0.000 0.000 0.000) 0.000 2.231 ( 0.000 0.000 -0.000) 0.000 2.400 ( 0.000 0.000 -0.000) 0.000 2.450 ( 0.000 0.000 0.000) 0.000 2.607 ( 0.000 0.000 -0.000) 0.000 2.680 ( -0.000 0.000 0.000) 0.000 3.085 ( 0.000 0.000 0.000) 0.000 3.186 ( 0.000 0.000 0.000) 0.000 3.292 ( 0.000 0.000 0.000) 0.000 3.396 ( 0.000 0.000 0.000) 0.000 3.403 ( 0.000 0.000 0.000) 0.000 3.414 ( 0.000 0.000 0.000) 0.000 3.499 ( 0.000 0.000 0.000) 0.000 3.607 ( 0.000 0.000 0.000) 0.000 3.673 ( 0.000 0.000 -0.000) 0.000 3.730 ( 0.000 0.000 0.000) 0.000 3.767 ( 0.000 0.000 0.000) 0.000 3.866 ( 0.000 0.000 0.000) 0.000 3.971 ( 0.000 0.000 -0.000) 0.000 4.186 ( 0.000 0.000 0.000) 0.000 4.274 ( 0.000 0.000 -0.000) 0.000 4.317 ( 0.000 0.000 -0.000) 0.000 4.605 ( 0.000 0.000 -0.000) 0.000 4.652 ( 0.000 0.000 -0.000) 0.000 4.988 ( 0.000 0.000 0.000) 0.000 5.457 ( 0.000 0.000 -0.000) 0.000 5.483 ( 0.000 0.000 -0.000) 0.000 5.825 ( 0.000 0.000 0.000) 0.000======================= Grid point 7 (5/84) =======================q-point: ( 0.00 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.215 ( 0.000 10.249 0.000) 10.249 0.386 ( 0.000 18.796 0.000) 18.796 0.593 ( 0.000 27.760 0.000) 27.760 0.781 ( 0.000 3.164 0.000) 3.164 0.794 ( 0.000 1.066 0.000) 1.066 1.190 ( 0.000 4.695 0.000) 4.695 1.194 ( 0.000 1.356 0.000) 1.356 1.264 ( 0.000 -1.581 0.000) 1.581 1.404 ( 0.000 -0.292 0.000) 0.292 1.572 ( 0.000 6.515 0.000) 6.515 1.651 ( 0.000 5.351 0.000) 5.351 1.763 ( 0.000 5.144 0.000) 5.144 1.871 ( 0.000 9.719 0.000) 9.719 1.943 ( 0.000 3.094 0.000) 3.094 2.091 ( 0.000 1.183 0.000) 1.183 2.260 ( 0.000 0.015 0.000) 0.015 2.278 ( 0.000 4.625 0.000) 4.625 2.499 ( 0.000 -2.003 0.000) 2.003 2.612 ( 0.000 -0.806 0.000) 0.806 2.623 ( 0.000 -2.266 0.000) 2.266 3.102 ( 0.000 0.472 0.000) 0.472 3.177 ( 0.000 -3.579 0.000) 3.579 3.280 ( 0.000 -5.296 0.000) 5.296 3.356 ( 0.000 2.577 0.000) 2.577 3.416 ( 0.000 -0.179 0.000) 0.179 3.459 ( 0.000 -1.273 0.000) 1.273 3.471 ( 0.000 -0.573 0.000) 0.573 3.639 ( 0.000 -1.781 0.000) 1.781 3.749 ( 0.000 -1.782 0.000) 1.782 3.789 ( 0.000 1.081 0.000) 1.081 3.920 ( 0.000 -0.379 0.000) 0.379 4.054 ( 0.000 -0.071 0.000) 0.071 4.143 ( 0.000 -3.856 0.000) 3.856 4.144 ( 0.000 1.397 0.000) 1.397 4.357 ( 0.000 0.833 0.000) 0.833 4.357 ( 0.000 -2.461 0.000) 2.461 4.530 ( 0.000 7.619 0.000) 7.619 4.967 ( 0.000 -3.105 0.000) 3.105 5.114 ( 0.000 -6.039 0.000) 6.039 5.201 ( 0.000 -2.687 0.000) 2.687 5.484 ( 0.000 -4.921 0.000) 4.921 5.584 ( 0.000 -0.402 0.000) 0.402======================= Grid point 8 (6/84) =======================q-point: ( 0.17 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 132Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.309 ( 7.488 6.550 2.035) 10.154 0.430 ( 6.382 13.371 -2.699) 15.060 0.725 ( -0.148 3.488 2.595) 4.350 0.740 ( 8.904 20.620 -8.367) 23.968 0.913 ( 6.244 1.861 -7.381) 9.845 1.097 ( -3.966 4.653 7.182) 9.432 1.256 ( 1.944 -3.502 2.102) 4.523 1.323 ( 4.562 4.840 -6.689) 9.433 1.416 ( 0.723 -0.126 -0.772) 1.065 1.551 ( -1.651 6.198 0.655) 6.448 1.598 ( -4.651 5.741 6.181) 9.633 1.775 ( 0.206 3.529 -0.866) 3.639 1.797 ( -6.550 4.574 8.340) 11.549 1.859 ( -2.447 9.014 2.779) 9.745 2.233 ( 3.739 1.040 -6.378) 7.466 2.234 ( 3.663 2.900 -5.418) 7.155 2.290 ( 0.332 4.442 -1.362) 4.658 2.494 ( -0.633 -1.362 0.301) 1.531 2.559 ( -2.180 -0.510 1.457) 2.671 2.657 ( 0.975 -2.671 1.213) 3.091 3.082 ( -1.814 -1.281 4.515) 5.032 3.163 ( -0.193 -2.317 -2.158) 3.172 3.296 ( 0.789 -3.717 -1.566) 4.110 3.356 ( 0.054 2.234 -0.202) 2.243 3.419 ( 0.236 0.108 0.107) 0.281 3.434 ( -0.532 -1.766 -2.528) 3.129 3.509 ( 0.631 -1.949 0.855) 2.219 3.635 ( -0.344 -1.725 -0.928) 1.989 3.719 ( -2.584 -1.994 2.437) 4.073 3.793 ( 0.202 1.241 -1.125) 1.687 3.872 ( -3.109 4.063 0.590) 5.150 4.024 ( -3.002 -1.968 3.607) 5.089 4.038 ( -6.653 -0.661 0.811) 6.735 4.184 ( 1.290 -0.532 -3.128) 3.425 4.297 ( -1.700 0.703 -0.775) 1.996 4.379 ( -1.059 -1.075 2.103) 2.589 4.555 ( 2.159 5.531 -0.680) 5.976 4.818 ( -11.551 13.241 -14.462) 22.758 5.036 ( 0.356 -1.009 6.552) 6.639 5.191 ( 5.304 -3.872 -5.349) 8.470 5.476 ( -1.348 -4.943 2.670) 5.778 5.683 ( 3.419 -8.772 1.364) 9.513======================= Grid point 9 (7/84) =======================q-point: ( 0.33 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 134Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.505 ( 9.963 0.872 0.355) 10.007 0.596 ( 7.952 6.713 -5.365) 11.709 0.719 ( 0.060 1.528 0.064) 1.531 0.890 ( -0.592 8.113 3.074) 8.696 0.989 ( 4.275 11.909 -5.547) 13.816 1.094 ( 3.562 3.823 -7.864) 9.441 1.300 ( 2.187 -0.539 2.501) 3.366 1.394 ( 1.573 4.309 -1.427) 4.804 1.421 ( -0.772 0.756 1.643) 1.966 1.466 ( -6.528 6.127 11.911) 14.901 1.544 ( 1.719 5.847 -4.589) 7.629 1.691 ( -3.383 3.456 3.555) 6.002 1.771 ( -1.215 5.420 1.500) 5.753 1.811 ( -1.561 8.506 0.923) 8.697 2.223 ( -0.174 3.388 -0.099) 3.394 2.290 ( -0.139 4.336 -0.589) 4.378 2.376 ( 4.212 0.815 -8.280) 9.326 2.471 ( -1.123 0.415 0.616) 1.346 2.550 ( 1.359 -1.243 0.607) 1.939 2.661 ( -0.489 -3.016 1.712) 3.502 3.044 ( -1.468 -3.260 2.746) 4.508 3.171 ( 0.662 -1.002 -1.006) 1.566 3.313 ( 1.011 -1.842 -2.209) 3.049 3.356 ( -0.241 0.984 -0.383) 1.084 3.422 ( -0.002 0.203 0.519) 0.558 3.425 ( -0.581 -1.290 -0.230) 1.433 3.494 ( -1.189 -0.916 -0.176) 1.511 3.614 ( -2.349 -2.489 0.690) 3.491 3.664 ( -1.577 -1.731 1.671) 2.876 3.796 ( 0.221 2.024 -1.361) 2.449 3.826 ( -1.225 4.350 0.523) 4.550 3.906 ( -4.706 0.422 0.430) 4.744 3.965 ( -2.435 -1.312 2.349) 3.629 4.198 ( 0.205 -0.325 -1.193) 1.254 4.279 ( -0.385 0.249 -0.217) 0.507 4.346 ( -1.361 0.636 0.893) 1.748 4.602 ( 1.935 2.904 -0.685) 3.556 4.710 ( -1.031 7.881 -9.782) 12.604 5.004 ( -2.223 -1.410 5.561) 6.153 5.341 ( 6.393 -4.746 -6.043) 9.995 5.448 ( -0.852 -3.545 2.610) 4.484 5.720 ( 0.592 -9.002 2.760) 9.434======================= Grid point 10 (8/84) =======================q-point: (-0.50 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 77Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.638 ( 0.000 -0.555 0.000) 0.555 0.712 ( -0.000 1.343 -0.000) 1.343 0.741 ( 0.000 2.256 -0.000) 2.256 0.787 ( -0.000 6.218 0.000) 6.218 1.081 ( 0.000 13.334 -0.000) 13.334 1.130 ( -0.000 5.045 0.000) 5.045 1.331 ( 0.000 4.219 0.000) 4.219 1.378 ( -0.000 2.855 0.000) 2.855 1.398 ( 0.000 1.314 -0.000) 1.314 1.410 ( -0.000 4.299 0.000) 4.299 1.596 ( 0.000 2.682 -0.000) 2.682 1.637 ( -0.000 6.624 0.000) 6.624 1.749 ( 0.000 7.541 -0.000) 7.541 1.799 ( 0.000 6.194 -0.000) 6.194 2.221 ( 0.000 3.148 -0.000) 3.148 2.287 ( -0.000 3.983 0.000) 3.983 2.413 ( 0.000 1.232 -0.000) 1.232 2.460 ( -0.000 1.443 0.000) 1.443 2.580 ( 0.000 -2.316 -0.000) 2.316 2.649 ( -0.000 -2.802 0.000) 2.802 3.028 ( 0.000 -3.788 -0.000) 3.788 3.180 ( -0.000 -0.720 -0.000) 0.720 3.338 ( -0.000 2.348 0.000) 2.348 3.341 ( 0.000 -3.523 -0.000) 3.523 3.413 ( -0.000 0.090 0.000) 0.090 3.422 ( 0.000 0.688 -0.000) 0.688 3.482 ( 0.000 -1.045 -0.000) 1.045 3.573 ( 0.000 -2.774 -0.000) 2.774 3.654 ( 0.000 -1.484 0.000) 1.484 3.804 ( -0.000 5.145 0.000) 5.145 3.811 ( 0.000 0.759 -0.000) 0.759 3.854 ( -0.000 0.801 0.000) 0.801 3.938 ( -0.000 -1.237 0.000) 1.237 4.199 ( 0.000 -0.131 -0.000) 0.131 4.275 ( -0.000 0.124 0.000) 0.124 4.332 ( -0.000 0.737 -0.000) 0.737 4.624 ( -0.000 2.199 -0.000) 2.199 4.707 ( -0.000 4.936 0.000) 4.936 4.977 ( 0.000 -0.918 0.000) 0.918 5.398 ( 0.000 -7.652 -0.000) 7.652 5.455 ( 0.000 -0.221 -0.000) 0.221 5.723 ( 0.000 -9.217 0.000) 9.217======================= Grid point 14 (9/84) =======================q-point: ( 0.00 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.418 ( 0.000 9.248 0.000) 9.248 0.771 ( 0.000 17.401 0.000) 17.401 0.837 ( 0.000 3.380 0.000) 3.380 0.888 ( 0.000 6.811 0.000) 6.811 1.096 ( 0.000 11.279 0.000) 11.279 1.180 ( 0.000 8.722 0.000) 8.722 1.226 ( 0.000 -0.236 0.000) 0.236 1.280 ( 0.000 0.896 0.000) 0.896 1.451 ( 0.000 4.173 0.000) 4.173 1.728 ( 0.000 7.680 0.000) 7.680 1.790 ( 0.000 7.321 0.000) 7.321 1.897 ( 0.000 6.703 0.000) 6.703 2.049 ( 0.000 7.357 0.000) 7.357 2.118 ( 0.000 12.747 0.000) 12.747 2.136 ( 0.000 3.542 0.000) 3.542 2.252 ( 0.000 -0.892 0.000) 0.892 2.395 ( 0.000 6.260 0.000) 6.260 2.459 ( 0.000 -1.529 0.000) 1.529 2.570 ( 0.000 -2.430 0.000) 2.430 2.588 ( 0.000 -1.614 0.000) 1.614 3.110 ( 0.000 -2.835 0.000) 2.835 3.116 ( 0.000 -0.234 0.000) 0.234 3.160 ( 0.000 -4.751 0.000) 4.751 3.380 ( 0.000 -0.502 0.000) 0.502 3.393 ( 0.000 -1.200 0.000) 1.200 3.421 ( 0.000 -2.323 0.000) 2.323 3.474 ( 0.000 0.096 0.000) 0.096 3.597 ( 0.000 -1.989 0.000) 1.989 3.700 ( 0.000 -2.949 0.000) 2.949 3.772 ( 0.000 -3.077 0.000) 3.077 3.908 ( 0.000 -0.626 0.000) 0.626 4.079 ( 0.000 2.201 0.000) 2.201 4.090 ( 0.000 -1.273 0.000) 1.273 4.162 ( 0.000 -0.587 0.000) 0.587 4.303 ( 0.000 -1.791 0.000) 1.791 4.340 ( 0.000 -1.586 0.000) 1.586 4.681 ( 0.000 5.069 0.000) 5.069 4.873 ( 0.000 -5.882 0.000) 5.882 4.955 ( 0.000 -8.134 0.000) 8.134 5.144 ( 0.000 -2.206 0.000) 2.206 5.373 ( 0.000 -5.244 0.000) 5.244 5.557 ( 0.000 -2.248 0.000) 2.248======================= Grid point 15 (10/84) =======================q-point: ( 0.17 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 132Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.457 ( 3.354 7.287 0.666) 8.050 0.762 ( 0.114 17.322 1.555) 17.392 0.799 ( -1.604 4.239 4.347) 6.280 0.973 ( 6.079 4.156 -6.656) 9.927 1.118 ( -0.368 4.112 2.752) 4.962 1.165 ( -0.814 2.530 3.410) 4.323 1.259 ( 5.898 11.851 -6.976) 14.963 1.356 ( 4.185 -0.374 -6.262) 7.541 1.467 ( 1.454 4.782 -0.288) 5.006 1.695 ( -2.927 6.531 3.149) 7.819 1.746 ( -3.915 7.831 4.371) 9.786 1.889 ( -1.690 7.188 1.331) 7.503 1.947 ( -3.539 9.376 5.315) 11.344 2.088 ( -2.354 11.141 3.289) 11.853 2.252 ( 4.901 1.569 -7.310) 8.939 2.288 ( 3.736 1.257 -5.565) 6.820 2.382 ( -0.977 4.969 -0.380) 5.078 2.481 ( 1.700 0.428 0.216) 1.767 2.546 ( -1.449 -0.734 1.025) 1.921 2.597 ( 0.214 -2.653 2.153) 3.423 3.046 ( -3.457 -1.965 5.610) 6.876 3.124 ( 0.464 -2.427 -0.055) 2.471 3.210 ( 2.575 -3.133 -5.688) 6.986 3.372 ( -0.701 -1.034 -0.687) 1.425 3.401 ( 0.693 -1.106 -0.376) 1.358 3.403 ( -0.612 -1.471 -1.022) 1.893 3.490 ( 0.566 -0.456 1.837) 1.976 3.593 ( -0.673 -2.328 -0.196) 2.431 3.667 ( -2.638 -2.922 2.809) 4.837 3.766 ( -0.706 -3.696 -2.202) 4.360 3.896 ( -0.930 0.068 -0.785) 1.219 4.030 ( -4.235 0.069 1.288) 4.427 4.057 ( -2.170 3.359 2.588) 4.764 4.168 ( 0.267 -1.351 -2.171) 2.571 4.284 ( -0.949 -1.645 -0.318) 1.926 4.347 ( 0.113 -0.839 1.159) 1.436 4.679 ( 0.085 4.886 -0.296) 4.896 4.877 ( -0.223 -4.218 -1.770) 4.580 5.024 ( 1.309 -3.359 0.057) 3.606 5.083 ( -0.362 -4.062 -0.720) 4.141 5.356 ( -1.013 -5.786 2.083) 6.233 5.556 ( -0.102 -3.587 -1.898) 4.060======================= Grid point 16 (11/84) =======================q-point: ( 0.33 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 134Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.552 ( 5.391 3.114 1.453) 6.393 0.770 ( -0.956 3.414 1.606) 3.892 0.805 ( 3.188 12.290 -1.968) 12.848 1.020 ( -4.275 6.040 7.396) 10.463 1.131 ( 5.444 0.925 -6.019) 8.168 1.223 ( 3.928 3.816 -2.891) 6.193 1.362 ( 2.874 4.449 -6.814) 8.630 1.431 ( 2.878 4.213 -2.382) 5.631 1.505 ( 1.888 7.001 -1.455) 7.396 1.621 ( -4.143 4.710 6.883) 9.312 1.649 ( -3.887 8.323 4.557) 10.254 1.840 ( -1.724 10.208 2.910) 10.754 1.932 ( 0.694 9.492 -0.891) 9.559 2.034 ( -2.525 10.362 3.057) 11.095 2.296 ( 0.879 3.162 -2.467) 4.106 2.343 ( -0.836 0.489 -1.109) 1.472 2.409 ( 4.013 3.214 -6.491) 8.280 2.514 ( 1.155 3.028 0.240) 3.249 2.525 ( -0.225 -0.956 2.609) 2.788 2.591 ( -0.676 -2.904 1.565) 3.368 2.988 ( -1.939 -1.832 3.230) 4.189 3.135 ( 0.470 -3.178 0.495) 3.251 3.254 ( 1.740 -2.323 -4.824) 5.630 3.357 ( -0.564 -1.394 -0.286) 1.530 3.404 ( 0.466 -0.893 -0.029) 1.008 3.416 ( 0.571 -0.702 -0.065) 0.907 3.486 ( -0.861 -0.242 0.377) 0.971 3.553 ( -3.017 -3.352 2.428) 5.122 3.624 ( -0.985 -2.014 0.432) 2.283 3.746 ( -0.959 -4.706 -1.626) 5.071 3.880 ( -0.380 1.183 -1.895) 2.266 3.944 ( -3.495 1.358 2.781) 4.669 4.011 ( -1.786 5.134 1.501) 5.639 4.170 ( -0.013 -1.968 -1.343) 2.383 4.273 ( -0.232 -1.377 -0.113) 1.401 4.342 ( -0.438 0.164 0.964) 1.071 4.688 ( 0.615 4.244 -0.490) 4.316 4.840 ( -2.747 2.984 -3.343) 5.256 4.968 ( -1.563 -1.714 4.321) 4.904 5.171 ( 2.618 -10.594 -5.216) 12.095 5.376 ( 3.722 -5.091 2.509) 6.788 5.542 ( -1.607 -5.506 -0.048) 5.735======================= Grid point 17 (12/84) =======================q-point: (-0.50 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 77Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.630 ( 0.000 0.322 -0.000) 0.322 0.752 ( -0.000 2.098 0.000) 2.098 0.866 ( 0.000 8.735 -0.000) 8.735 0.940 ( -0.000 8.318 0.000) 8.318 1.202 ( 0.000 2.361 0.000) 2.361 1.278 ( 0.000 3.209 -0.000) 3.209 1.381 ( -0.000 0.398 0.000) 0.398 1.478 ( 0.000 5.755 -0.000) 5.755 1.519 ( 0.000 9.119 -0.000) 9.119 1.552 ( -0.000 8.360 0.000) 8.360 1.617 ( 0.000 4.192 0.000) 4.192 1.822 ( 0.000 10.426 0.000) 10.426 1.949 ( -0.000 10.908 0.000) 10.908 1.998 ( 0.000 9.681 -0.000) 9.681 2.305 ( 0.000 4.834 -0.000) 4.834 2.329 ( -0.000 -0.127 0.000) 0.127 2.455 ( 0.000 3.042 -0.000) 3.042 2.522 ( -0.000 0.060 0.000) 0.060 2.534 ( 0.000 1.993 0.000) 1.993 2.580 ( -0.000 -3.478 0.000) 3.478 2.967 ( 0.000 -1.753 -0.000) 1.753 3.141 ( 0.000 -3.527 -0.000) 3.527 3.277 ( -0.000 -2.274 0.000) 2.274 3.351 ( -0.000 -0.829 0.000) 0.829 3.413 ( -0.000 -0.694 0.000) 0.694 3.422 ( 0.000 -0.702 0.000) 0.702 3.470 ( 0.000 -0.151 0.000) 0.151 3.511 ( 0.000 -2.876 -0.000) 2.876 3.616 ( 0.000 -2.106 0.000) 2.106 3.735 ( 0.000 -5.107 0.000) 5.107 3.884 ( 0.000 2.160 -0.000) 2.160 3.897 ( -0.000 1.154 0.000) 1.154 3.992 ( -0.000 5.694 -0.000) 5.694 4.169 ( 0.000 -2.145 -0.000) 2.145 4.271 ( -0.000 -1.271 -0.000) 1.271 4.336 ( 0.000 0.668 0.000) 0.668 4.697 ( -0.000 3.975 -0.000) 3.975 4.806 ( -0.000 3.385 0.000) 3.385 4.955 ( 0.000 -1.080 -0.000) 1.080 5.187 ( 0.000 -11.930 -0.000) 11.930 5.465 ( -0.000 1.202 -0.000) 1.202 5.489 ( 0.000 -12.137 0.000) 12.137======================= Grid point 21 (13/84) =======================q-point: ( 0.00 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.594 ( 0.000 7.705 0.000) 7.705 0.849 ( 0.000 -0.263 0.000) 0.263 1.019 ( 0.000 2.519 0.000) 2.519 1.088 ( 0.000 1.136 0.000) 1.136 1.154 ( 0.000 17.089 0.000) 17.089 1.258 ( 0.000 4.630 0.000) 4.630 1.276 ( 0.000 0.012 0.000) 0.012 1.536 ( 0.000 3.710 0.000) 3.710 1.561 ( 0.000 15.643 0.000) 15.643 1.867 ( 0.000 5.901 0.000) 5.901 1.928 ( 0.000 6.088 0.000) 6.088 1.994 ( 0.000 2.304 0.000) 2.304 2.201 ( 0.000 2.471 0.000) 2.471 2.234 ( 0.000 5.596 0.000) 5.596 2.257 ( 0.000 5.550 0.000) 5.550 2.342 ( 0.000 7.637 0.000) 7.637 2.447 ( 0.000 0.655 0.000) 0.655 2.519 ( 0.000 2.786 0.000) 2.786 2.538 ( 0.000 -3.374 0.000) 3.374 2.547 ( 0.000 3.207 0.000) 3.207 3.015 ( 0.000 -5.817 0.000) 5.817 3.060 ( 0.000 -2.003 0.000) 2.003 3.175 ( 0.000 2.700 0.000) 2.700 3.343 ( 0.000 -2.672 0.000) 2.672 3.368 ( 0.000 -2.601 0.000) 2.601 3.377 ( 0.000 -0.413 0.000) 0.413 3.463 ( 0.000 -1.122 0.000) 1.122 3.556 ( 0.000 -2.227 0.000) 2.227 3.629 ( 0.000 -3.795 0.000) 3.795 3.674 ( 0.000 -6.018 0.000) 6.018 3.904 ( 0.000 0.366 0.000) 0.366 4.054 ( 0.000 -1.655 0.000) 1.655 4.107 ( 0.000 -3.783 0.000) 3.783 4.142 ( 0.000 2.021 0.000) 2.021 4.308 ( 0.000 1.702 0.000) 1.702 4.319 ( 0.000 0.399 0.000) 0.399 4.669 ( 0.000 -5.503 0.000) 5.503 4.739 ( 0.000 -6.523 0.000) 6.523 4.862 ( 0.000 -0.335 0.000) 0.335 5.128 ( 0.000 0.577 0.000) 0.577 5.278 ( 0.000 -3.989 0.000) 3.989 5.490 ( 0.000 -4.229 0.000) 4.229======================= Grid point 22 (14/84) =======================q-point: ( 0.17 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 132Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.602 ( 0.616 6.724 -1.091) 6.839 0.856 ( -0.076 0.590 5.508) 5.540 1.039 ( 2.442 1.876 -5.307) 6.136 1.095 ( -0.310 5.467 2.930) 6.210 1.136 ( -0.129 10.241 1.572) 10.362 1.234 ( -0.119 6.239 4.162) 7.501 1.325 ( 2.428 -0.171 -6.216) 6.675 1.523 ( 0.521 5.215 -1.182) 5.372 1.636 ( 4.268 11.726 -5.302) 13.558 1.813 ( -4.307 5.412 6.429) 9.443 1.897 ( -2.397 7.003 1.516) 7.555 2.020 ( 1.512 4.060 -3.700) 5.697 2.153 ( -2.807 9.524 3.648) 10.578 2.217 ( -0.837 1.409 0.884) 1.862 2.302 ( 0.634 1.279 -2.266) 2.678 2.345 ( 1.924 7.083 -2.010) 7.609 2.470 ( 1.625 0.249 -0.291) 1.669 2.501 ( -1.066 0.361 0.409) 1.197 2.546 ( 0.303 3.581 1.001) 3.730 2.569 ( 1.707 0.378 0.186) 1.758 2.997 ( -1.454 -3.437 2.561) 4.526 3.050 ( -0.646 -3.117 0.779) 3.277 3.198 ( 1.635 1.193 -4.220) 4.680 3.332 ( -1.054 -2.398 -0.675) 2.705 3.359 ( -0.033 -2.571 -0.373) 2.598 3.387 ( 0.855 -0.426 -0.233) 0.983 3.476 ( 0.609 -1.004 1.750) 2.108 3.534 ( -2.116 -3.466 1.574) 4.355 3.605 ( -1.471 -2.990 1.649) 3.718 3.671 ( -0.539 -4.957 -2.606) 5.626 3.902 ( -0.162 0.675 -1.707) 1.842 4.018 ( -2.691 -0.990 2.318) 3.687 4.118 ( 0.627 -3.080 -0.772) 3.236 4.133 ( -0.753 2.796 -0.393) 2.923 4.265 ( -2.096 0.447 2.822) 3.544 4.355 ( 1.485 1.503 -1.601) 2.651 4.687 ( 1.361 -4.751 -0.725) 4.995 4.767 ( 2.266 -5.650 -0.422) 6.102 4.900 ( 3.099 -3.861 -0.874) 5.027 5.072 ( -4.606 1.079 2.235) 5.232 5.258 ( -1.431 -3.775 -0.115) 4.039 5.494 ( 0.217 -3.324 -1.035) 3.488======================= Grid point 23 (15/84) =======================q-point: ( 0.33 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 134Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.625 ( 1.858 4.092 -0.785) 4.562 0.825 ( -2.562 1.636 4.327) 5.288 1.078 ( -0.560 12.241 2.452) 12.496 1.106 ( 1.245 1.555 -0.534) 2.062 1.162 ( 3.833 1.802 -1.544) 4.508 1.265 ( 1.900 4.120 -0.099) 4.538 1.368 ( 2.035 0.339 -4.099) 4.589 1.555 ( 2.291 4.919 -2.982) 6.192 1.673 ( -2.021 4.586 -0.365) 5.024 1.728 ( -2.913 7.345 4.959) 9.329 1.859 ( -0.380 11.395 -0.153) 11.403 2.036 ( -0.275 6.538 0.173) 6.546 2.118 ( -0.160 8.052 -0.139) 8.055 2.188 ( -1.767 4.757 1.373) 5.257 2.305 ( 0.297 -0.648 -0.739) 1.027 2.388 ( 1.101 3.366 -2.593) 4.389 2.481 ( 0.037 0.191 0.537) 0.571 2.508 ( 1.272 -1.198 0.272) 1.768 2.550 ( 0.125 5.307 0.949) 5.393 2.598 ( 0.831 1.613 -0.052) 1.815 2.968 ( -1.104 -0.474 1.816) 2.178 3.040 ( -0.246 -5.144 0.774) 5.207 3.229 ( 1.211 -0.487 -3.873) 4.087 3.316 ( -0.403 -2.435 -0.392) 2.499 3.368 ( 0.910 -2.017 -0.128) 2.217 3.404 ( 0.449 -0.579 -0.208) 0.762 3.474 ( -0.990 -1.771 -1.896) 2.777 3.485 ( -1.720 -2.144 5.359) 6.023 3.581 ( -0.830 -2.154 0.361) 2.337 3.653 ( -0.922 -3.962 -1.702) 4.409 3.899 ( -0.029 0.836 -2.598) 2.730 3.961 ( -2.375 0.856 3.063) 3.969 4.116 ( -0.632 3.777 -0.063) 3.830 4.127 ( 0.160 -1.555 -0.819) 1.765 4.231 ( -1.045 -1.603 1.871) 2.676 4.376 ( 0.563 2.613 -0.741) 2.774 4.713 ( 0.967 -3.180 -0.968) 3.462 4.816 ( 1.837 -4.445 0.259) 4.817 4.939 ( -0.567 -5.128 2.441) 5.708 4.985 ( -2.312 -1.275 -2.683) 3.764 5.250 ( 1.104 -5.211 0.575) 5.358 5.492 ( -0.404 -1.551 -0.452) 1.665======================= Grid point 24 (16/84) =======================q-point: (-0.50 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 77Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.659 ( -0.000 2.561 0.000) 2.561 0.785 ( 0.000 0.988 -0.000) 0.988 1.074 ( -0.000 10.898 0.000) 10.898 1.105 ( 0.000 6.221 -0.000) 6.221 1.247 ( -0.000 -4.495 0.000) 4.495 1.261 ( 0.000 4.363 -0.000) 4.363 1.403 ( 0.000 2.221 0.000) 2.221 1.593 ( 0.000 5.331 0.000) 5.331 1.629 ( 0.000 2.875 0.000) 2.875 1.684 ( 0.000 6.432 -0.000) 6.432 1.866 ( -0.000 13.640 0.000) 13.640 2.025 ( 0.000 7.822 -0.000) 7.822 2.130 ( -0.000 3.053 0.000) 3.053 2.160 ( 0.000 8.755 -0.000) 8.755 2.310 ( 0.000 -0.650 -0.000) 0.650 2.394 ( 0.000 2.647 0.000) 2.647 2.487 ( 0.000 -1.062 0.000) 1.062 2.523 ( 0.000 -1.456 -0.000) 1.456 2.552 ( 0.000 6.217 -0.000) 6.217 2.605 ( 0.000 2.142 -0.000) 2.142 2.956 ( 0.000 0.457 0.000) 0.457 3.038 ( 0.000 -5.839 0.000) 5.839 3.244 ( 0.000 -1.225 -0.000) 1.225 3.311 ( 0.000 -2.917 0.000) 2.917 3.389 ( 0.000 -0.771 0.000) 0.771 3.399 ( -0.000 -1.444 0.000) 1.444 3.457 ( 0.000 -2.516 -0.000) 2.516 3.469 ( 0.000 -0.008 0.000) 0.008 3.571 ( 0.000 -2.064 -0.000) 2.064 3.642 ( 0.000 -3.621 -0.000) 3.621 3.902 ( 0.000 0.120 -0.000) 0.120 3.932 ( 0.000 2.429 0.000) 2.429 4.109 ( 0.000 4.794 -0.000) 4.794 4.128 ( 0.000 -1.309 -0.000) 1.309 4.221 ( 0.000 -2.752 0.000) 2.752 4.381 ( 0.000 3.121 -0.000) 3.121 4.725 ( 0.000 -2.763 0.000) 2.763 4.829 ( 0.000 -1.717 -0.000) 1.717 4.945 ( 0.000 -9.778 0.000) 9.778 4.946 ( -0.000 0.957 -0.000) 0.957 5.274 ( 0.000 -7.769 0.000) 7.769 5.484 ( -0.000 -0.067 -0.000) 0.067======================= Grid point 28 (17/84) =======================q-point: ( 0.00 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.731 ( 0.000 5.341 0.000) 5.341 0.851 ( 0.000 1.644 0.000) 1.644 0.976 ( 0.000 -3.639 0.000) 3.639 1.126 ( 0.000 -1.327 0.000) 1.327 1.331 ( 0.000 5.815 0.000) 5.815 1.369 ( 0.000 7.621 0.000) 7.621 1.501 ( 0.000 11.659 0.000) 11.659 1.614 ( 0.000 6.145 0.000) 6.145 1.737 ( 0.000 1.309 0.000) 1.309 1.971 ( 0.000 3.352 0.000) 3.352 2.003 ( 0.000 -0.791 0.000) 0.791 2.070 ( 0.000 7.506 0.000) 7.506 2.206 ( 0.000 0.935 0.000) 0.935 2.341 ( 0.000 4.231 0.000) 4.231 2.391 ( 0.000 4.470 0.000) 4.470 2.436 ( 0.000 2.231 0.000) 2.231 2.438 ( 0.000 -5.302 0.000) 5.302 2.503 ( 0.000 -2.156 0.000) 2.156 2.513 ( 0.000 5.033 0.000) 5.033 2.666 ( 0.000 4.491 0.000) 4.491 2.919 ( 0.000 -2.802 0.000) 2.802 3.023 ( 0.000 -1.793 0.000) 1.793 3.237 ( 0.000 2.895 0.000) 2.895 3.287 ( 0.000 -2.242 0.000) 2.242 3.327 ( 0.000 -1.075 0.000) 1.075 3.368 ( 0.000 -0.588 0.000) 0.588 3.436 ( 0.000 -1.167 0.000) 1.167 3.500 ( 0.000 -3.111 0.000) 3.111 3.542 ( 0.000 -6.207 0.000) 6.207 3.550 ( 0.000 -3.683 0.000) 3.683 3.923 ( 0.000 1.376 0.000) 1.376 4.017 ( 0.000 -1.916 0.000) 1.916 4.041 ( 0.000 -2.063 0.000) 2.063 4.136 ( 0.000 -2.105 0.000) 2.105 4.350 ( 0.000 2.006 0.000) 2.006 4.357 ( 0.000 2.079 0.000) 2.079 4.574 ( 0.000 -2.354 0.000) 2.354 4.624 ( 0.000 -4.235 0.000) 4.235 4.888 ( 0.000 2.702 0.000) 2.702 5.154 ( 0.000 1.729 0.000) 1.729 5.201 ( 0.000 -3.810 0.000) 3.810 5.385 ( 0.000 -5.705 0.000) 5.705======================= Grid point 29 (18/84) =======================q-point: ( 0.17 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 132Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.736 ( -0.178 6.209 -1.831) 6.476 0.854 ( 0.528 0.489 3.928) 3.993 1.008 ( 2.570 -3.638 -1.504) 4.701 1.111 ( -0.661 -1.006 0.671) 1.378 1.357 ( 2.356 5.292 -2.750) 6.412 1.370 ( -0.176 7.480 0.004) 7.482 1.477 ( -2.685 14.122 2.674) 14.622 1.590 ( 0.200 1.856 -0.485) 1.929 1.765 ( 0.552 1.639 -1.197) 2.103 1.923 ( -3.176 4.153 5.623) 7.678 2.011 ( 0.225 -0.410 -4.148) 4.174 2.083 ( 0.902 6.184 -1.869) 6.523 2.227 ( 1.609 1.318 -1.806) 2.755 2.310 ( -2.579 3.757 2.544) 5.219 2.361 ( -1.721 4.281 0.651) 4.659 2.427 ( -0.482 -3.224 0.601) 3.315 2.473 ( 1.806 0.678 -0.285) 1.950 2.481 ( -0.023 3.390 1.201) 3.596 2.563 ( 2.360 -0.409 -0.981) 2.589 2.671 ( 0.374 4.695 -0.776) 4.773 2.917 ( -0.069 -2.843 -0.500) 2.887 3.013 ( -0.895 -1.229 1.672) 2.260 3.234 ( -0.355 1.790 -2.264) 2.908 3.284 ( -0.476 -1.988 -0.077) 2.045 3.319 ( -0.039 -0.854 -0.196) 0.877 3.377 ( 0.711 -0.790 0.390) 1.132 3.453 ( 0.854 -1.130 0.671) 1.567 3.459 ( -2.211 -3.204 2.478) 4.615 3.544 ( -0.300 -2.876 0.580) 2.949 3.570 ( 1.089 -4.779 -2.514) 5.508 3.923 ( -0.134 1.204 -1.035) 1.593 4.002 ( -0.729 -0.290 0.914) 1.204 4.059 ( 1.085 -2.433 0.089) 2.666 4.144 ( 0.580 -1.413 -0.149) 1.535 4.304 ( -2.592 2.656 3.278) 4.952 4.392 ( 1.606 1.270 -3.233) 3.827 4.578 ( 0.550 -4.036 0.151) 4.076 4.645 ( 1.550 -4.905 -0.759) 5.200 4.892 ( 0.299 2.074 0.364) 2.127 5.102 ( -4.062 1.125 2.553) 4.928 5.193 ( -0.814 -2.357 -2.303) 3.395 5.405 ( 1.502 -5.188 0.041) 5.401======================= Grid point 30 (19/84) =======================q-point: ( 0.33 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 134Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.728 ( 0.133 5.971 -2.427) 6.447 0.845 ( -1.996 1.001 4.685) 5.190 1.072 ( 3.562 -4.144 -3.147) 6.305 1.126 ( 1.745 -1.889 1.832) 3.158 1.344 ( -2.241 9.032 0.934) 9.353 1.403 ( -0.346 6.485 -0.283) 6.501 1.441 ( 2.132 8.564 -0.963) 8.878 1.636 ( 3.535 2.654 -4.610) 6.387 1.726 ( -3.617 1.757 2.778) 4.887 1.851 ( -3.763 4.400 5.676) 8.108 2.033 ( 2.016 -1.015 -4.901) 5.396 2.096 ( 0.309 4.984 -1.627) 5.252 2.215 ( -3.317 1.665 3.662) 5.213 2.291 ( 1.353 4.784 -3.032) 5.823 2.338 ( -0.268 3.783 0.854) 3.887 2.416 ( -0.658 -1.350 1.394) 2.049 2.486 ( 0.577 2.283 1.248) 2.665 2.506 ( 0.852 0.717 -1.231) 1.660 2.599 ( 1.052 -1.458 0.103) 1.801 2.680 ( 0.411 5.129 -0.663) 5.188 2.920 ( 0.348 -3.278 -1.230) 3.519 2.990 ( -1.172 -0.085 2.452) 2.719 3.224 ( -0.326 -0.006 -1.819) 1.848 3.267 ( -0.966 -1.969 -0.121) 2.196 3.339 ( 1.679 -0.757 -0.667) 1.959 3.392 ( 0.512 -0.790 0.355) 1.006 3.419 ( -1.255 -1.966 0.402) 2.366 3.469 ( 0.299 -0.483 2.151) 2.225 3.536 ( -0.324 -2.036 0.431) 2.106 3.580 ( 0.008 -3.329 -1.786) 3.778 3.917 ( -0.379 1.092 -0.712) 1.358 3.993 ( -0.168 1.957 0.461) 2.017 4.079 ( 0.788 -2.113 0.048) 2.256 4.157 ( 0.760 -0.651 -0.462) 1.102 4.249 ( -2.530 3.184 2.561) 4.806 4.421 ( 1.027 0.833 -1.843) 2.268 4.595 ( 0.861 -6.011 -0.115) 6.074 4.674 ( 1.019 -7.201 -0.894) 7.327 4.893 ( -0.368 1.108 1.134) 1.628 5.021 ( -2.853 2.084 0.797) 3.622 5.176 ( -0.562 -1.913 -1.118) 2.286 5.433 ( 0.987 -4.365 0.093) 4.476======================= Grid point 31 (20/84) =======================q-point: (-0.50 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 77Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.742 ( -0.000 5.559 0.000) 5.559 0.804 ( 0.000 1.420 -0.000) 1.420 1.124 ( 0.000 -6.016 -0.000) 6.016 1.149 ( 0.000 -1.493 0.000) 1.493 1.310 ( -0.000 10.544 -0.000) 10.544 1.389 ( 0.000 6.187 0.000) 6.187 1.489 ( -0.000 6.574 -0.000) 6.574 1.670 ( -0.000 2.230 0.000) 2.230 1.698 ( -0.000 3.245 0.000) 3.245 1.789 ( 0.000 4.011 -0.000) 4.011 2.069 ( -0.000 -3.414 0.000) 3.414 2.098 ( -0.000 5.637 0.000) 5.637 2.162 ( 0.000 3.299 -0.000) 3.299 2.307 ( -0.000 5.996 0.000) 5.996 2.344 ( 0.000 2.526 -0.000) 2.526 2.405 ( 0.000 -0.724 -0.000) 0.724 2.495 ( 0.000 2.412 0.000) 2.412 2.512 ( -0.000 -0.184 -0.000) 0.184 2.610 ( 0.000 -1.632 0.000) 1.632 2.685 ( 0.000 5.353 0.000) 5.353 2.927 ( -0.000 -4.082 0.000) 4.082 2.974 ( 0.000 0.911 -0.000) 0.911 3.223 ( 0.000 -0.747 -0.000) 0.747 3.254 ( -0.000 -2.129 0.000) 2.129 3.366 ( 0.000 -1.550 -0.000) 1.550 3.392 ( -0.000 0.814 0.000) 0.814 3.407 ( 0.000 -2.154 0.000) 2.154 3.470 ( -0.000 0.032 0.000) 0.032 3.533 ( 0.000 -1.659 0.000) 1.659 3.578 ( 0.000 -2.763 -0.000) 2.763 3.912 ( 0.000 1.187 -0.000) 1.187 3.992 ( 0.000 2.909 0.000) 2.909 4.088 ( 0.000 -1.698 0.000) 1.698 4.173 ( 0.000 -1.856 -0.000) 1.856 4.213 ( -0.000 4.562 0.000) 4.562 4.432 ( 0.000 0.867 -0.000) 0.867 4.605 ( 0.000 -6.693 0.000) 6.693 4.685 ( 0.000 -8.589 0.000) 8.589 4.884 ( 0.000 1.186 0.000) 1.186 4.993 ( 0.000 2.667 -0.000) 2.667 5.171 ( 0.000 -2.366 -0.000) 2.366 5.444 ( -0.000 -3.932 -0.000) 3.932======================= Grid point 35 (21/84) =======================q-point: ( 0.00 0.45 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.815 ( 0.000 3.540 0.000) 3.540 0.894 ( 0.000 -4.073 0.000) 4.073 0.935 ( 0.000 5.636 0.000) 5.636 1.051 ( 0.000 -5.120 0.000) 5.120 1.464 ( 0.000 5.985 0.000) 5.985 1.531 ( 0.000 6.932 0.000) 6.932 1.556 ( 0.000 -1.254 0.000) 1.254 1.679 ( 0.000 -5.647 0.000) 5.647 1.863 ( 0.000 12.735 0.000) 12.735 1.989 ( 0.000 -1.176 0.000) 1.176 1.995 ( 0.000 0.887 0.000) 0.887 2.105 ( 0.000 -5.754 0.000) 5.754 2.300 ( 0.000 7.016 0.000) 7.016 2.360 ( 0.000 -0.213 0.000) 0.213 2.386 ( 0.000 -0.435 0.000) 0.435 2.428 ( 0.000 -4.964 0.000) 4.964 2.450 ( 0.000 1.543 0.000) 1.543 2.458 ( 0.000 0.350 0.000) 0.350 2.623 ( 0.000 4.565 0.000) 4.565 2.691 ( 0.000 -1.753 0.000) 1.753 2.921 ( 0.000 2.450 0.000) 2.450 2.979 ( 0.000 -2.596 0.000) 2.596 3.265 ( 0.000 0.160 0.000) 0.160 3.275 ( 0.000 0.264 0.000) 0.264 3.326 ( 0.000 0.861 0.000) 0.861 3.350 ( 0.000 -1.095 0.000) 1.095 3.419 ( 0.000 -0.719 0.000) 0.719 3.438 ( 0.000 -2.484 0.000) 2.484 3.456 ( 0.000 -0.794 0.000) 0.794 3.484 ( 0.000 -2.555 0.000) 2.555 3.951 ( 0.000 1.178 0.000) 1.178 3.979 ( 0.000 -1.636 0.000) 1.636 4.034 ( 0.000 1.342 0.000) 1.342 4.081 ( 0.000 -2.814 0.000) 2.814 4.378 ( 0.000 0.595 0.000) 0.595 4.379 ( 0.000 0.342 0.000) 0.342 4.562 ( 0.000 0.191 0.000) 0.191 4.571 ( 0.000 -1.100 0.000) 1.100 4.980 ( 0.000 6.001 0.000) 6.001 5.107 ( 0.000 -5.559 0.000) 5.559 5.198 ( 0.000 2.616 0.000) 2.616 5.272 ( 0.000 -4.758 0.000) 4.758======================= Grid point 36 (22/84) =======================q-point: ( 0.17 0.45 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 132Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.839 ( 1.742 3.831 0.159) 4.211 0.916 ( -0.872 2.378 0.261) 2.546 0.925 ( 2.042 -0.914 0.438) 2.279 1.041 ( -0.600 -5.242 -0.255) 5.283 1.477 ( 0.836 6.024 -2.385) 6.532 1.530 ( 0.290 7.017 -0.883) 7.079 1.576 ( 1.624 -2.520 -2.603) 3.970 1.641 ( -2.741 -1.774 0.714) 3.342 1.850 ( -1.482 8.673 3.230) 9.373 1.963 ( -2.238 -2.592 2.049) 3.991 1.984 ( -0.881 2.758 1.852) 3.437 2.104 ( -0.396 -5.736 1.297) 5.895 2.305 ( 0.115 4.621 -0.972) 4.723 2.330 ( -1.527 0.220 0.842) 1.757 2.394 ( 0.815 0.966 -1.464) 1.934 2.438 ( -0.510 2.558 -0.846) 2.742 2.465 ( 2.283 -3.259 -0.849) 4.069 2.478 ( 1.254 -1.292 -0.494) 1.867 2.617 ( -0.519 4.427 -0.114) 4.459 2.693 ( 0.208 -2.270 -1.081) 2.523 2.921 ( -0.027 2.691 0.063) 2.692 2.979 ( -0.021 -2.321 0.743) 2.437 3.254 ( -1.030 0.314 -1.376) 1.748 3.263 ( -0.970 -0.266 0.311) 1.053 3.324 ( 0.065 0.994 0.568) 1.147 3.351 ( 0.183 -1.511 1.242) 1.965 3.420 ( -0.204 -0.003 -0.073) 0.217 3.440 ( 1.006 -0.616 1.250) 1.719 3.487 ( 1.773 -2.448 -1.832) 3.535 3.492 ( 0.632 -1.960 0.110) 2.062 3.950 ( -0.027 1.507 0.150) 1.514 3.986 ( 0.599 -1.768 -0.038) 1.867 4.046 ( 1.096 1.634 0.243) 1.983 4.097 ( 1.304 -2.770 0.065) 3.062 4.353 ( -1.590 1.916 1.147) 2.741 4.387 ( 0.091 -1.386 -1.350) 1.937 4.546 ( -0.965 0.539 0.018) 1.105 4.577 ( -0.047 -2.196 -0.134) 2.201 4.970 ( -0.876 5.084 -0.418) 5.175 5.072 ( -2.703 -4.036 0.681) 4.905 5.200 ( 0.095 3.026 -0.828) 3.138 5.291 ( 1.467 -5.431 0.548) 5.652======================= Grid point 37 (23/84) =======================q-point: ( 0.33 0.45 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 134Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.854 ( -0.264 5.074 -1.364) 5.261 0.891 ( -1.288 3.217 2.063) 4.033 0.983 ( 2.641 -2.907 0.039) 3.928 1.048 ( 1.401 -5.412 -0.296) 5.599 1.474 ( -0.694 4.995 -1.548) 5.276 1.532 ( -2.875 2.077 1.603) 3.892 1.585 ( 2.688 4.750 -3.686) 6.586 1.660 ( 3.692 -0.681 -4.959) 6.220 1.795 ( -3.477 5.670 5.251) 8.474 1.900 ( -3.668 -2.043 4.977) 6.511 1.975 ( 0.276 1.189 -0.135) 1.228 2.083 ( -1.449 -5.674 1.864) 6.146 2.290 ( -0.849 3.287 0.040) 3.395 2.328 ( 0.702 -0.376 -0.739) 1.086 2.415 ( 0.902 3.208 -2.024) 3.898 2.429 ( -0.331 3.537 -0.284) 3.563 2.491 ( 0.408 -1.470 -0.831) 1.737 2.514 ( 1.612 -3.464 0.082) 3.822 2.606 ( -0.456 4.532 -0.138) 4.557 2.699 ( 0.387 -3.206 -1.179) 3.438 2.920 ( -0.055 2.961 0.075) 2.962 2.977 ( -0.211 -1.722 1.022) 2.014 3.229 ( -1.055 0.402 -0.699) 1.328 3.240 ( -1.104 -0.767 -0.334) 1.385 3.335 ( 0.832 0.386 0.605) 1.098 3.358 ( 0.383 -1.778 1.036) 2.093 3.422 ( 0.276 1.691 -0.340) 1.747 3.458 ( 0.505 -0.998 0.894) 1.432 3.504 ( 0.531 -0.806 -0.083) 0.968 3.519 ( 1.042 -2.212 -1.046) 2.659 3.951 ( 0.063 2.165 0.143) 2.170 3.998 ( 0.451 -1.989 0.060) 2.040 4.075 ( 1.450 2.120 0.058) 2.569 4.125 ( 1.160 -2.208 0.199) 2.502 4.320 ( -1.358 3.343 0.669) 3.670 4.388 ( 0.142 -3.259 -0.872) 3.377 4.528 ( -0.624 -0.263 -0.114) 0.687 4.565 ( -0.974 -3.500 -0.061) 3.633 4.948 ( -1.073 3.663 -0.238) 3.824 5.020 ( -1.862 -2.558 0.266) 3.176 5.201 ( 0.021 4.426 -0.362) 4.441 5.320 ( 1.066 -6.240 0.340) 6.340======================= Grid point 38 (24/84) =======================q-point: (-0.50 0.45 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 77Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.855 ( -0.000 3.262 0.000) 3.262 0.867 ( 0.000 4.782 -0.000) 4.782 1.015 ( 0.000 -2.993 -0.000) 2.993 1.071 ( 0.000 -5.352 0.000) 5.352 1.475 ( 0.000 4.058 -0.000) 4.058 1.479 ( -0.000 2.608 0.000) 2.608 1.640 ( 0.000 6.368 0.000) 6.368 1.717 ( -0.000 -0.464 0.000) 0.464 1.740 ( 0.000 4.403 -0.000) 4.403 1.842 ( 0.000 -1.127 -0.000) 1.127 1.983 ( -0.000 -1.051 0.000) 1.051 2.062 ( 0.000 -5.066 -0.000) 5.066 2.282 ( -0.000 4.074 0.000) 4.074 2.338 ( -0.000 -1.688 0.000) 1.688 2.423 ( -0.000 4.070 0.000) 4.070 2.427 ( 0.000 3.711 -0.000) 3.711 2.494 ( 0.000 -1.664 0.000) 1.664 2.531 ( 0.000 -3.642 -0.000) 3.642 2.601 ( 0.000 4.932 -0.000) 4.932 2.705 ( 0.000 -3.593 0.000) 3.593 2.919 ( -0.000 2.974 0.000) 2.974 2.973 ( 0.000 -1.387 -0.000) 1.387 3.218 ( 0.000 0.179 -0.000) 0.179 3.226 ( 0.000 -0.699 0.000) 0.699 3.346 ( 0.000 -0.174 0.000) 0.174 3.363 ( 0.000 -1.630 0.000) 1.630 3.426 ( 0.000 1.939 0.000) 1.939 3.462 ( 0.000 -1.159 -0.000) 1.159 3.510 ( 0.000 -0.149 0.000) 0.149 3.529 ( 0.000 -1.825 -0.000) 1.825 3.952 ( 0.000 2.472 -0.000) 2.472 4.003 ( 0.000 -2.049 -0.000) 2.049 4.093 ( -0.000 2.297 0.000) 2.297 4.138 ( 0.000 -1.793 -0.000) 1.793 4.304 ( 0.000 4.286 0.000) 4.286 4.391 ( 0.000 -4.081 -0.000) 4.081 4.522 ( 0.000 -1.114 -0.000) 1.114 4.550 ( 0.000 -4.047 -0.000) 4.047 4.935 ( 0.000 3.312 0.000) 3.312 5.000 ( 0.000 -2.322 -0.000) 2.322 5.201 ( 0.000 5.124 -0.000) 5.124 5.331 ( -0.000 -6.526 -0.000) 6.526======================= Grid point 77 (25/84) =======================q-point: ( 0.00 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.152 ( 7.998 0.000 8.436) 11.624 0.304 ( -6.756 0.000 16.184) 17.538 0.436 ( -12.837 0.000 20.193) 23.928 0.596 ( 0.466 0.000 -7.665) 7.679 0.890 ( 6.247 0.000 -13.889) 15.230 0.915 ( -5.357 0.000 4.904) 7.263 1.292 ( 3.994 0.000 -1.595) 4.301 1.299 ( -3.188 0.000 6.096) 6.880 1.421 ( -0.255 0.000 0.267) 0.369 1.492 ( 7.202 0.000 -11.685) 13.726 1.518 ( -1.396 0.000 3.651) 3.908 1.720 ( -1.142 0.000 -1.341) 1.761 1.722 ( 2.137 0.000 -4.254) 4.760 1.807 ( 2.585 0.000 -2.296) 3.457 2.163 ( -0.471 0.000 0.744) 0.881 2.223 ( 0.207 0.000 -0.309) 0.372 2.273 ( -8.695 0.000 11.971) 14.796 2.542 ( 0.425 0.000 1.920) 1.967 2.587 ( 3.960 0.000 -3.784) 5.477 2.633 ( -2.215 0.000 -1.901) 2.919 3.165 ( 2.430 0.000 -3.764) 4.480 3.286 ( -0.006 0.000 -0.007) 0.009 3.313 ( 4.075 0.000 1.629) 4.388 3.345 ( -2.068 0.000 0.067) 2.069 3.398 ( 0.003 0.000 0.016) 0.016 3.523 ( 0.102 0.000 3.811) 3.812 3.612 ( -4.604 0.000 0.508) 4.632 3.686 ( -0.503 0.000 1.509) 1.591 3.728 ( 0.005 0.000 0.024) 0.024 3.761 ( 1.539 0.000 -0.401) 1.590 3.768 ( -0.004 0.000 -0.040) 0.040 4.007 ( -4.317 0.000 -7.240) 8.429 4.189 ( 0.000 0.000 0.022) 0.022 4.227 ( -0.084 0.000 4.211) 4.212 4.276 ( -0.000 0.000 -0.013) 0.013 4.351 ( -1.079 0.000 -2.536) 2.756 4.471 ( 0.287 0.000 2.868) 2.883 4.714 ( -19.208 0.000 -3.615) 19.545 5.047 ( -9.625 0.000 3.993) 10.420 5.213 ( 4.770 0.000 -1.926) 5.144 5.570 ( -0.471 0.000 2.075) 2.127 5.719 ( 5.585 0.000 -1.677) 5.832======================= Grid point 78 (26/84) =======================q-point: ( 0.17 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.193 ( -4.102 0.000 15.260) 15.802 0.278 ( 4.358 0.000 8.898) 9.908 0.432 ( 13.082 0.000 5.823) 14.319 0.668 ( 5.437 0.000 -13.506) 14.560 0.819 ( -4.625 0.000 4.948) 6.773 1.034 ( 7.291 0.000 -12.903) 14.821 1.218 ( -4.398 0.000 9.267) 10.258 1.393 ( 5.126 0.000 1.524) 5.347 1.410 ( -0.829 0.000 0.065) 0.832 1.478 ( -2.418 0.000 1.590) 2.894 1.566 ( -1.677 0.000 -0.832) 1.872 1.703 ( 2.592 0.000 -3.183) 4.104 1.741 ( -0.300 0.000 -1.900) 1.923 1.895 ( 3.017 0.000 -5.274) 6.076 2.107 ( -4.905 0.000 8.399) 9.727 2.159 ( 0.107 0.000 0.315) 0.333 2.229 ( 0.342 0.000 -0.102) 0.356 2.513 ( -1.941 0.000 0.758) 2.083 2.573 ( -2.114 0.000 -0.431) 2.158 2.663 ( 2.509 0.000 -2.596) 3.610 3.158 ( -1.820 0.000 -0.438) 1.872 3.287 ( 0.136 0.000 -0.008) 0.136 3.317 ( -4.957 0.000 8.314) 9.680 3.341 ( 0.044 0.000 1.070) 1.071 3.399 ( 0.103 0.000 0.015) 0.104 3.422 ( -0.521 0.000 -0.390) 0.650 3.548 ( 0.510 0.000 -0.076) 0.516 3.676 ( -1.150 0.000 2.785) 3.013 3.729 ( 0.033 0.000 0.020) 0.038 3.764 ( -0.564 0.000 -0.476) 0.738 3.767 ( -0.006 0.000 -0.032) 0.033 4.007 ( 2.484 0.000 -10.096) 10.397 4.122 ( -5.657 0.000 6.867) 8.897 4.176 ( -9.782 0.000 1.092) 9.842 4.188 ( -0.059 0.000 0.017) 0.061 4.275 ( -0.051 0.000 -0.010) 0.052 4.469 ( 0.062 0.000 1.551) 1.553 4.516 ( 1.835 0.000 3.163) 3.656 5.078 ( 7.858 0.000 -1.933) 8.092 5.254 ( -1.218 0.000 4.799) 4.952 5.570 ( -1.488 0.000 2.600) 2.995 5.828 ( 4.447 0.000 -3.644) 5.749======================= Grid point 79 (27/84) =======================q-point: ( 0.33 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.320 ( 11.745 0.000 -14.804) 18.897 0.420 ( 7.693 0.000 -1.259) 7.796 0.661 ( 6.202 0.000 3.960) 7.358 0.734 ( -1.714 0.000 2.452) 2.992 0.795 ( 5.888 0.000 -13.565) 14.788 1.093 ( -5.490 0.000 7.727) 9.478 1.207 ( 6.782 0.000 -7.671) 10.239 1.390 ( -0.827 0.000 -0.481) 0.956 1.426 ( -2.090 0.000 0.334) 2.116 1.482 ( 1.838 0.000 6.175) 6.442 1.519 ( -0.867 0.000 0.078) 0.871 1.714 ( -2.124 0.000 1.162) 2.421 1.749 ( 0.808 0.000 -0.545) 0.974 1.824 ( -6.826 0.000 11.936) 13.751 2.161 ( 6.631 0.000 -11.592) 13.354 2.166 ( 0.501 0.000 -0.379) 0.628 2.235 ( 0.175 0.000 0.165) 0.241 2.476 ( -1.582 0.000 -0.066) 1.583 2.558 ( 0.676 0.000 -0.683) 0.962 2.690 ( 0.168 0.000 -1.337) 1.347 3.144 ( -0.255 0.000 1.525) 1.546 3.227 ( -2.340 0.000 5.747) 6.205 3.290 ( 0.140 0.000 -0.011) 0.140 3.359 ( 0.415 0.000 0.046) 0.417 3.402 ( 0.100 0.000 0.013) 0.100 3.431 ( 0.606 0.000 -1.814) 1.912 3.530 ( -2.474 0.000 0.026) 2.474 3.640 ( -1.407 0.000 1.256) 1.886 3.729 ( 0.028 0.000 0.011) 0.030 3.741 ( -1.936 0.000 2.007) 2.789 3.767 ( -0.002 0.000 -0.016) 0.016 3.907 ( -5.353 0.000 -1.423) 5.539 4.043 ( -4.199 0.000 2.844) 5.071 4.176 ( 5.029 0.000 -10.171) 11.346 4.187 ( -0.059 0.000 0.007) 0.060 4.274 ( -0.051 0.000 -0.005) 0.051 4.481 ( 1.230 0.000 0.146) 1.239 4.565 ( 2.258 0.000 -0.835) 2.408 5.190 ( -1.184 0.000 9.162) 9.238 5.277 ( 6.716 0.000 -5.305) 8.559 5.515 ( -3.058 0.000 0.697) 3.136 5.890 ( 1.293 0.000 1.592) 2.051======================= Grid point 80 (28/84) =======================q-point: (-0.50 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.566 ( 5.920 0.000 -7.068) 9.220 0.574 ( 11.651 0.000 -20.191) 23.312 0.618 ( -5.107 0.000 -0.719) 5.157 0.778 ( 0.304 0.000 3.395) 3.408 0.905 ( 4.320 0.000 -12.390) 13.121 0.942 ( -8.528 0.000 10.873) 13.818 1.332 ( 3.334 0.000 -4.941) 5.961 1.379 ( -0.201 0.000 -0.358) 0.411 1.426 ( 3.468 0.000 -3.827) 5.164 1.435 ( -4.752 0.000 9.324) 10.465 1.533 ( -0.943 0.000 6.297) 6.368 1.659 ( -2.952 0.000 4.283) 5.202 1.667 ( -4.642 0.000 6.939) 8.349 1.784 ( 0.729 0.000 1.219) 1.420 2.176 ( 0.391 0.000 -0.717) 0.817 2.235 ( -0.173 0.000 0.336) 0.378 2.284 ( 4.823 0.000 -10.674) 11.713 2.456 ( -0.226 0.000 0.153) 0.273 2.587 ( 1.573 0.000 -2.156) 2.669 2.675 ( -1.553 0.000 -0.076) 1.555 3.122 ( -1.266 0.000 2.826) 3.097 3.228 ( 1.498 0.000 3.739) 4.028 3.292 ( 0.006 0.000 -0.013) 0.014 3.361 ( 0.594 0.000 -1.017) 1.178 3.403 ( -0.003 0.000 0.012) 0.012 3.440 ( -0.424 0.000 -0.046) 0.427 3.492 ( 0.318 0.000 -0.882) 0.937 3.617 ( -1.241 0.000 1.410) 1.879 3.694 ( -1.530 0.000 2.321) 2.780 3.730 ( -0.006 0.000 0.007) 0.009 3.767 ( 0.004 0.000 -0.007) 0.008 3.862 ( 0.553 0.000 -0.813) 0.984 3.987 ( -1.219 0.000 1.906) 2.263 4.186 ( -0.000 0.000 0.003) 0.003 4.253 ( 2.389 0.000 -7.365) 7.743 4.274 ( 0.000 0.000 -0.002) 0.002 4.529 ( 3.095 0.000 -4.279) 5.281 4.600 ( 1.088 0.000 -2.189) 2.444 5.149 ( -2.066 0.000 11.010) 11.202 5.400 ( 4.218 0.000 -5.552) 6.972 5.461 ( -1.954 0.000 -0.938) 2.167 5.881 ( -2.156 0.000 4.038) 4.578======================= Grid point 82 (29/84) =======================q-point: (-0.33 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.471 ( -8.861 0.000 -0.815) 8.898 0.657 ( 1.163 0.000 -7.085) 7.180 0.718 ( -4.935 0.000 -0.502) 4.960 0.754 ( -7.327 0.000 7.959) 10.818 0.783 ( 6.075 0.000 -13.791) 15.070 0.971 ( 2.307 0.000 -8.542) 8.848 1.303 ( -6.226 0.000 9.476) 11.338 1.354 ( 0.007 0.000 -0.883) 0.883 1.395 ( 1.390 0.000 -0.416) 1.451 1.443 ( -6.083 0.000 10.862) 12.449 1.539 ( 5.575 0.000 -5.642) 7.932 1.598 ( -2.483 0.000 5.960) 6.457 1.653 ( 1.807 0.000 -2.435) 3.032 1.795 ( 0.260 0.000 1.572) 1.594 2.181 ( -0.025 0.000 -0.443) 0.444 2.229 ( -0.391 0.000 0.248) 0.463 2.373 ( 3.901 0.000 -6.982) 7.998 2.463 ( 0.587 0.000 0.462) 0.747 2.603 ( -1.185 0.000 0.544) 1.304 2.633 ( -1.184 0.000 -2.074) 2.388 3.110 ( 0.142 0.000 1.318) 1.325 3.241 ( -0.308 0.000 5.363) 5.371 3.291 ( -0.134 0.000 -0.011) 0.134 3.402 ( -0.103 0.000 0.013) 0.103 3.405 ( 0.832 0.000 -0.867) 1.202 3.443 ( 3.210 0.000 1.460) 3.527 3.524 ( 2.073 0.000 -0.295) 2.094 3.613 ( 1.747 0.000 -0.861) 1.948 3.685 ( 0.239 0.000 0.962) 0.992 3.729 ( -0.033 0.000 0.011) 0.035 3.768 ( 0.006 0.000 -0.016) 0.017 3.914 ( 4.356 0.000 -0.255) 4.364 3.991 ( 1.619 0.000 0.497) 1.694 4.187 ( 0.059 0.000 0.007) 0.060 4.274 ( 0.052 0.000 -0.005) 0.052 4.293 ( 1.809 0.000 -4.235) 4.606 4.563 ( -0.844 0.000 -2.579) 2.714 4.646 ( 4.114 0.000 -5.569) 6.924 5.105 ( -2.248 0.000 9.212) 9.482 5.424 ( -2.028 0.000 -0.371) 2.061 5.464 ( 2.504 0.000 -1.399) 2.869 5.809 ( -4.317 0.000 2.515) 4.997======================= Grid point 83 (30/84) =======================q-point: (-0.17 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.251 ( -11.353 0.000 1.526) 11.455 0.498 ( -10.509 0.000 13.268) 16.926 0.607 ( -4.856 0.000 -3.666) 6.085 0.730 ( -9.730 0.000 11.485) 15.052 0.777 ( 4.463 0.000 -12.854) 13.606 1.013 ( -1.076 0.000 -4.675) 4.797 1.241 ( 0.372 0.000 -0.359) 0.517 1.345 ( -1.108 0.000 1.766) 2.085 1.370 ( 1.709 0.000 -3.842) 4.205 1.419 ( 0.625 0.000 -0.099) 0.633 1.546 ( -1.606 0.000 6.548) 6.742 1.653 ( 4.345 0.000 -5.675) 7.148 1.695 ( 1.911 0.000 -1.335) 2.331 1.797 ( -0.014 0.000 0.575) 0.575 2.175 ( -0.503 0.000 0.355) 0.616 2.222 ( -0.161 0.000 -0.165) 0.230 2.415 ( -2.847 0.000 4.856) 5.629 2.486 ( 2.865 0.000 -2.402) 3.739 2.550 ( -0.914 0.000 1.220) 1.525 2.642 ( 0.710 0.000 -3.553) 3.623 3.123 ( 1.046 0.000 0.207) 1.066 3.249 ( 1.686 0.000 2.940) 3.390 3.287 ( -0.141 0.000 -0.008) 0.141 3.387 ( -1.579 0.000 0.862) 1.798 3.399 ( -0.101 0.000 0.015) 0.102 3.510 ( 1.464 0.000 3.787) 4.061 3.587 ( 3.556 0.000 1.129) 3.731 3.681 ( 2.586 0.000 -3.263) 4.163 3.697 ( 2.120 0.000 0.777) 2.258 3.728 ( -0.027 0.000 0.020) 0.033 3.768 ( 0.002 0.000 -0.032) 0.032 4.014 ( 3.095 0.000 -5.686) 6.474 4.089 ( 8.811 0.000 3.561) 9.504 4.188 ( 0.059 0.000 0.017) 0.061 4.275 ( 0.051 0.000 -0.010) 0.052 4.333 ( 1.929 0.000 -3.069) 3.625 4.516 ( -3.155 0.000 0.535) 3.200 4.756 ( 6.003 0.000 -6.925) 9.165 5.054 ( -1.626 0.000 3.918) 4.242 5.353 ( -5.473 0.000 3.363) 6.423 5.535 ( 4.473 0.000 4.658) 6.458 5.714 ( -4.397 0.000 -3.518) 5.632======================= Grid point 84 (31/84) =======================q-point: ( 0.00 0.09 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 132Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.263 ( 1.493 8.574 5.404) 10.244 0.408 ( -1.660 13.498 5.917) 14.831 0.627 ( 1.316 4.220 -8.889) 9.928 0.756 ( -4.968 16.601 7.214) 18.770 0.857 ( -4.060 5.284 1.875) 6.922 1.055 ( 1.009 6.041 -2.922) 6.786 1.230 ( 1.207 -3.273 0.218) 3.495 1.356 ( -1.741 4.078 3.921) 5.919 1.427 ( -1.144 -0.126 2.568) 2.814 1.550 ( 6.608 5.990 -11.078) 14.222 1.589 ( -0.188 5.794 2.108) 6.168 1.777 ( 0.453 5.690 -1.363) 5.868 1.798 ( 3.517 4.576 -4.146) 7.106 1.857 ( 1.176 7.328 -1.500) 7.572 2.205 ( 0.051 2.246 -2.544) 3.394 2.275 ( -7.501 0.872 10.376) 12.833 2.292 ( -1.538 4.643 1.429) 5.096 2.503 ( 0.156 -2.594 0.957) 2.769 2.580 ( 4.004 -0.606 -3.744) 5.515 2.597 ( -1.344 -2.647 -2.198) 3.693 3.068 ( 0.970 -3.483 -1.193) 3.808 3.227 ( 1.733 -5.225 1.430) 5.687 3.288 ( -0.916 -2.395 -0.176) 2.570 3.366 ( -0.124 1.847 0.980) 2.095 3.405 ( -0.802 -0.001 -1.470) 1.675 3.491 ( -2.912 -3.843 4.639) 6.691 3.519 ( 1.030 -0.325 3.333) 3.503 3.666 ( -0.454 -1.749 2.003) 2.698 3.723 ( 1.670 -2.374 -2.174) 3.626 3.804 ( -0.590 1.514 1.242) 2.045 3.891 ( 0.810 3.294 -2.474) 4.198 3.975 ( 0.880 0.548 -5.165) 5.268 4.125 ( 0.869 -3.806 -1.307) 4.117 4.214 ( -1.715 0.019 4.202) 4.538 4.324 ( -1.784 -1.081 -1.964) 2.866 4.377 ( 2.800 0.478 0.698) 2.925 4.538 ( -0.603 7.478 0.891) 7.555 4.885 ( -2.085 4.192 -8.997) 10.142 5.047 ( -12.607 0.043 1.310) 12.675 5.177 ( 6.719 -3.406 -1.815) 7.749 5.524 ( 1.434 -4.785 2.398) 5.541 5.603 ( -0.679 -6.134 0.206) 6.174======================= Grid point 85 (32/84) =======================q-point: ( 0.17 0.09 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 132Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.359 ( 7.857 7.498 1.215) 10.928 0.423 ( 0.732 13.731 4.856) 14.583 0.692 ( 4.296 14.508 -0.920) 15.159 0.713 ( 3.419 10.448 -4.984) 12.070 0.794 ( -2.683 0.446 2.221) 3.512 1.137 ( 5.561 5.941 -9.428) 12.454 1.242 ( -1.646 0.203 5.126) 5.387 1.332 ( 0.807 -0.977 4.632) 4.802 1.413 ( -0.114 0.040 0.583) 0.596 1.578 ( -0.444 6.547 0.850) 6.617 1.626 ( -0.500 5.687 -1.246) 5.844 1.761 ( 0.528 5.756 -0.817) 5.837 1.857 ( -0.140 10.185 -1.421) 10.284 1.924 ( 3.877 3.114 -6.441) 8.137 2.117 ( -4.833 1.159 8.326) 9.697 2.204 ( -0.134 2.086 -2.345) 3.142 2.279 ( -0.162 4.246 0.196) 4.254 2.497 ( -0.661 -1.180 0.390) 1.408 2.561 ( -1.505 -1.031 -0.929) 2.048 2.647 ( 2.070 -1.392 -1.958) 3.171 3.095 ( 1.664 -1.954 -2.286) 3.437 3.238 ( -2.431 -4.142 6.816) 8.338 3.276 ( 0.623 -5.189 -0.864) 5.298 3.362 ( -0.316 2.388 0.928) 2.582 3.385 ( -0.404 -1.189 -1.671) 2.090 3.441 ( -0.934 0.185 2.533) 2.706 3.525 ( -0.662 -0.925 0.463) 1.228 3.653 ( -1.117 -1.896 2.388) 3.248 3.724 ( -0.958 -1.933 -2.480) 3.287 3.788 ( -0.825 0.373 1.118) 1.438 3.862 ( -1.979 3.402 -1.299) 4.145 4.003 ( -1.352 -0.006 -3.878) 4.107 4.096 ( -0.616 -1.296 -2.147) 2.583 4.144 ( -4.802 0.646 4.638) 6.707 4.284 ( -0.957 0.206 -0.780) 1.251 4.387 ( -2.548 2.591 -1.633) 3.984 4.542 ( 0.685 7.545 -0.272) 7.581 4.646 ( -9.641 14.500 -1.019) 17.442 5.044 ( 7.870 -3.333 -2.632) 8.943 5.218 ( -2.011 -3.125 4.860) 6.118 5.528 ( -1.341 -3.994 2.815) 5.067 5.680 ( 5.839 -11.102 -2.050) 12.711======================= Grid point 86 (33/84) =======================q-point: ( 0.33 0.09 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 132Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.460 ( 4.300 12.853 -3.160) 13.917 0.565 ( 9.828 3.845 0.596) 10.571 0.735 ( -2.647 1.845 1.993) 3.792 0.790 ( 4.042 14.825 -2.729) 15.606 0.828 ( 5.682 3.787 -12.746) 14.460 1.150 ( -5.173 3.927 8.154) 10.425 1.272 ( 5.415 3.049 -8.049) 10.169 1.367 ( 1.627 -1.804 1.723) 2.978 1.417 ( 0.480 2.195 -0.549) 2.313 1.551 ( -2.222 4.820 2.295) 5.782 1.608 ( -0.037 7.004 2.554) 7.456 1.781 ( 0.650 4.109 0.017) 4.160 1.825 ( -3.344 8.297 4.927) 10.213 1.872 ( -5.183 6.260 8.531) 11.782 2.167 ( 5.451 0.898 -10.093) 11.506 2.208 ( 1.147 2.727 -2.763) 4.048 2.280 ( 0.125 3.450 -0.349) 3.470 2.477 ( -0.995 0.559 0.211) 1.161 2.553 ( 0.701 -0.477 -0.705) 1.102 2.665 ( -0.159 -2.119 -0.607) 2.210 3.134 ( 0.959 -0.497 0.045) 1.082 3.164 ( -2.443 -3.569 5.735) 7.183 3.290 ( 0.462 -4.342 -0.278) 4.376 3.355 ( -0.280 1.632 0.013) 1.656 3.398 ( 1.072 -1.492 -1.742) 2.532 3.434 ( -0.239 1.317 0.642) 1.485 3.491 ( -2.250 -2.380 -0.623) 3.334 3.620 ( -1.338 -1.690 0.721) 2.274 3.701 ( -1.606 -1.657 0.651) 2.397 3.774 ( -0.313 -1.055 -0.357) 1.157 3.832 ( -0.948 3.914 0.235) 4.034 3.907 ( -4.544 1.150 -0.560) 4.720 4.038 ( -4.367 0.930 5.379) 6.991 4.143 ( 2.632 -1.107 -5.159) 5.897 4.279 ( 0.082 0.322 -0.068) 0.339 4.321 ( -2.247 6.165 -3.055) 7.238 4.553 ( 0.848 7.520 -2.292) 7.907 4.589 ( 0.935 3.368 -1.018) 3.641 5.157 ( -2.078 -3.255 8.385) 9.232 5.224 ( 6.858 -5.131 -5.768) 10.326 5.486 ( -2.156 -2.320 1.423) 3.472 5.769 ( 2.203 -10.547 1.420) 10.868======================= Grid point 87 (34/84) =======================q-point: (-0.50 0.09 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 132Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.575 ( 5.629 6.755 -9.436) 12.898 0.636 ( -4.567 2.030 1.282) 5.160 0.748 ( 3.028 -0.325 2.372) 3.860 0.855 ( 2.301 14.435 -8.006) 16.666 0.910 ( 1.487 3.943 -9.020) 9.956 1.045 ( -2.577 6.407 3.291) 7.650 1.338 ( 0.604 -1.374 -1.796) 2.341 1.401 ( 0.723 4.284 -0.544) 4.379 1.442 ( 1.884 1.018 -1.617) 2.683 1.515 ( -0.621 5.914 2.053) 6.291 1.593 ( -2.311 5.042 7.871) 9.629 1.716 ( -4.415 5.630 8.564) 11.160 1.769 ( -1.964 7.499 2.350) 8.101 1.825 ( -0.152 6.753 2.056) 7.061 2.202 ( 0.379 1.991 -1.769) 2.690 2.283 ( 0.254 3.436 -0.405) 3.469 2.297 ( 4.565 1.404 -10.118) 11.189 2.465 ( -0.071 1.426 0.199) 1.441 2.577 ( 1.150 -0.907 -1.511) 2.105 2.646 ( -1.569 -2.455 0.543) 2.964 3.082 ( -2.608 -3.015 4.781) 6.225 3.200 ( 2.042 -1.513 1.340) 2.873 3.304 ( 1.494 -2.442 -1.810) 3.387 3.351 ( -0.053 0.495 -0.015) 0.498 3.404 ( -0.786 -0.105 -0.413) 0.894 3.432 ( 0.231 0.258 -0.046) 0.349 3.466 ( 0.425 -2.083 -1.174) 2.428 3.596 ( -1.414 -1.722 1.620) 2.754 3.663 ( -0.959 -1.994 1.357) 2.596 3.785 ( 1.186 0.350 -1.301) 1.795 3.821 ( -0.209 3.495 0.570) 3.547 3.856 ( -0.307 1.830 -0.151) 1.862 3.971 ( -1.959 0.125 3.643) 4.138 4.183 ( 1.325 -1.148 -2.229) 2.836 4.278 ( -0.113 0.709 0.186) 0.741 4.302 ( 0.174 3.211 -3.012) 4.406 4.593 ( 2.254 5.658 -3.881) 7.222 4.613 ( 1.618 2.290 -3.259) 4.299 5.110 ( -2.066 -3.642 8.886) 9.823 5.334 ( 3.262 -6.567 -5.182) 8.978 5.455 ( -0.755 0.100 0.037) 0.763 5.772 ( -1.773 -9.887 3.562) 10.657======================= Grid point 89 (35/84) =======================q-point: (-0.33 0.09 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 132Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.490 ( -8.532 2.016 0.913) 8.815 0.668 ( 1.875 1.894 -9.570) 9.934 0.717 ( -6.255 2.258 2.243) 7.018 0.776 ( -3.777 5.791 2.710) 7.426 1.023 ( 6.209 13.157 -12.486) 19.172 1.049 ( 0.610 6.503 -4.317) 7.829 1.326 ( -1.955 0.918 1.035) 2.395 1.402 ( -0.392 2.435 1.021) 2.669 1.407 ( -3.810 5.891 5.407) 8.858 1.466 ( -4.685 1.253 9.014) 10.236 1.600 ( 4.223 4.151 -4.241) 7.284 1.671 ( -1.820 5.789 5.514) 8.199 1.743 ( 0.759 8.209 -0.470) 8.257 1.828 ( 0.206 5.535 1.687) 5.790 2.207 ( 0.065 2.494 -1.346) 2.835 2.291 ( 0.387 4.374 -0.508) 4.421 2.381 ( 3.688 0.841 -7.013) 7.968 2.470 ( 0.339 1.106 0.467) 1.248 2.582 ( -1.848 -1.779 1.882) 3.182 2.605 ( -1.197 -2.384 -1.942) 3.300 3.048 ( -0.595 -3.932 2.037) 4.468 3.209 ( -0.550 -2.775 3.340) 4.377 3.327 ( -0.431 1.441 -0.625) 1.629 3.380 ( 0.125 -1.097 0.616) 1.264 3.404 ( 3.143 -1.032 -1.431) 3.605 3.434 ( 0.523 -0.185 1.612) 1.705 3.494 ( 1.673 -2.309 -0.970) 3.012 3.585 ( 1.248 -1.908 -0.261) 2.295 3.665 ( 0.582 -1.555 0.569) 1.755 3.809 ( 1.152 4.416 -0.846) 4.641 3.818 ( -0.085 2.238 0.759) 2.364 3.900 ( 4.239 0.512 -0.445) 4.293 3.955 ( 0.490 -1.436 1.629) 2.226 4.207 ( 1.030 0.023 -0.118) 1.037 4.282 ( 0.544 0.600 -0.545) 0.976 4.314 ( 0.877 1.414 -1.823) 2.468 4.598 ( -0.979 3.428 -1.173) 3.753 4.697 ( 5.676 4.896 -6.982) 10.244 5.067 ( -2.333 -3.646 6.805) 8.065 5.381 ( 1.527 -5.930 -4.357) 7.516 5.432 ( -1.802 -1.085 3.852) 4.389 5.711 ( -3.343 -8.487 1.938) 9.325======================= Grid point 90 (36/84) =======================q-point: (-0.17 0.09 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 132Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.314 ( -6.779 6.116 2.943) 9.592 0.536 ( -8.869 6.654 8.343) 13.876 0.642 ( -2.285 1.928 -5.013) 5.837 0.781 ( 1.498 6.061 -10.246) 11.999 0.989 ( -6.100 14.618 7.068) 17.345 1.088 ( -1.420 3.358 -1.526) 3.953 1.252 ( -4.167 3.742 4.780) 7.363 1.374 ( 2.350 3.020 -5.960) 7.083 1.395 ( 1.622 3.235 -2.108) 4.189 1.449 ( 1.047 1.763 0.084) 2.052 1.614 ( -2.163 5.120 6.647) 8.664 1.696 ( 4.034 4.154 -4.632) 7.415 1.780 ( 1.644 6.223 -0.880) 6.496 1.836 ( 0.685 6.674 0.466) 6.726 2.206 ( -0.124 2.633 -1.640) 3.104 2.296 ( 0.037 5.207 -0.468) 5.228 2.422 ( -3.268 0.638 5.271) 6.234 2.481 ( 1.928 -0.316 -1.470) 2.445 2.521 ( -0.623 -2.051 -0.055) 2.144 2.607 ( 0.267 -2.903 -3.517) 4.568 3.051 ( 0.631 -4.226 0.166) 4.276 3.203 ( 0.310 -3.489 2.159) 4.115 3.309 ( -1.069 -0.367 -0.408) 1.202 3.370 ( -0.349 0.527 0.624) 0.888 3.417 ( -0.411 0.229 -0.934) 1.046 3.486 ( 2.048 -1.612 3.916) 4.704 3.521 ( 0.382 -3.563 2.560) 4.404 3.652 ( 4.226 -2.239 -4.483) 6.555 3.673 ( 0.142 -1.679 2.177) 2.753 3.813 ( -0.328 2.543 1.097) 2.789 3.845 ( 2.293 5.402 -1.721) 6.116 3.960 ( 1.164 -1.963 -2.857) 3.656 4.038 ( 6.411 -2.266 0.506) 6.818 4.225 ( 0.447 0.549 1.795) 1.929 4.307 ( 2.034 1.008 -0.757) 2.393 4.337 ( 1.107 -0.159 -1.257) 1.683 4.566 ( -1.766 5.173 0.291) 5.474 4.846 ( 7.664 5.916 -8.902) 13.153 5.014 ( -1.165 -3.791 2.636) 4.762 5.309 ( -7.569 -4.293 2.920) 9.179 5.463 ( 3.734 -6.359 3.516) 8.169 5.652 ( -2.402 -4.549 -1.750) 5.434======================= Grid point 91 (37/84) =======================q-point: ( 0.00 0.18 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 132Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.449 ( -0.270 8.814 3.487) 9.483 0.716 ( 2.482 7.308 -7.912) 11.053 0.743 ( 1.072 13.889 -1.605) 14.023 0.920 ( -2.041 7.782 -1.580) 8.199 1.080 ( 2.739 1.281 -4.284) 5.243 1.142 ( -0.554 0.337 0.799) 1.029 1.285 ( -6.451 16.352 10.124) 20.285 1.408 ( -3.047 -0.644 6.397) 7.115 1.462 ( -0.271 4.790 1.009) 4.902 1.696 ( 3.768 4.933 -4.610) 7.732 1.732 ( 2.938 8.965 -4.852) 10.609 1.912 ( 4.670 8.152 -5.278) 10.776 1.941 ( -1.006 9.012 2.382) 9.376 2.076 ( 2.108 10.868 -3.391) 11.578 2.250 ( -2.161 2.497 1.001) 3.451 2.304 ( -6.653 1.977 8.844) 11.242 2.388 ( -0.430 4.209 -0.582) 4.270 2.461 ( 0.168 -1.165 0.255) 1.205 2.546 ( -0.305 -1.786 -1.875) 2.607 2.562 ( 3.343 -1.214 -3.189) 4.777 3.030 ( 2.365 -1.060 -3.316) 4.209 3.123 ( 0.385 -4.600 -0.033) 4.616 3.236 ( -2.475 -2.180 3.333) 4.689 3.373 ( -0.612 -1.149 -1.383) 1.899 3.392 ( -0.422 -1.103 -0.769) 1.409 3.430 ( -1.486 -2.255 3.577) 4.482 3.507 ( 2.046 -1.023 2.094) 3.102 3.622 ( -0.565 -2.382 2.242) 3.319 3.664 ( 1.726 -3.213 -3.072) 4.769 3.786 ( -0.897 -3.161 0.593) 3.339 3.909 ( -0.766 0.327 0.373) 0.912 4.042 ( 2.035 3.529 -3.215) 5.189 4.072 ( 0.320 -0.701 -0.973) 1.242 4.195 ( -1.158 -2.663 2.239) 3.667 4.301 ( -0.805 0.117 -0.303) 0.868 4.338 ( 1.373 -3.018 -0.106) 3.317 4.697 ( -0.204 5.716 1.355) 5.878 4.850 ( 1.182 -4.903 -1.941) 5.404 4.979 ( -6.971 -7.095 2.397) 10.231 5.110 ( 5.665 -2.184 -3.024) 6.783 5.402 ( 1.526 -5.443 2.443) 6.158 5.529 ( -2.992 -2.498 -2.578) 4.673======================= Grid point 92 (38/84) =======================q-point: ( 0.17 0.18 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 132Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.482 ( 3.632 5.654 1.880) 6.978 0.757 ( 0.935 15.208 -3.386) 15.608 0.808 ( 5.135 5.952 -8.062) 11.260 0.875 ( -2.665 7.770 3.489) 8.925 1.113 ( 0.500 12.563 0.721) 12.594 1.174 ( 3.217 -1.727 -4.825) 6.051 1.251 ( 2.167 6.407 1.515) 6.931 1.336 ( -2.653 0.754 7.175) 7.687 1.469 ( 0.916 4.448 0.379) 4.557 1.726 ( -0.042 6.932 -0.323) 6.940 1.765 ( -0.420 7.065 -1.450) 7.225 1.912 ( -1.019 7.622 2.258) 8.014 2.032 ( 4.388 7.686 -6.728) 11.117 2.112 ( 0.920 11.897 -2.344) 12.160 2.160 ( -3.987 3.931 7.213) 9.131 2.227 ( -0.875 0.716 -0.244) 1.156 2.367 ( -1.220 3.461 -0.987) 3.800 2.485 ( 1.661 0.309 0.120) 1.694 2.541 ( -0.135 -0.432 -0.907) 1.014 2.612 ( 1.292 -1.915 -0.785) 2.440 3.082 ( 2.393 -0.043 -4.332) 4.949 3.141 ( 1.321 -6.059 -0.506) 6.222 3.177 ( -3.216 -2.705 6.334) 7.602 3.348 ( -1.109 -1.688 -1.373) 2.442 3.389 ( 0.124 -0.555 -0.027) 0.570 3.415 ( -0.057 -1.578 1.419) 2.123 3.521 ( -0.992 -0.343 1.532) 1.857 3.610 ( -0.849 -2.117 1.651) 2.816 3.673 ( -0.242 -2.984 -4.009) 5.003 3.749 ( -2.607 -3.958 1.946) 5.123 3.884 ( -1.368 -0.189 -0.483) 1.463 4.032 ( -2.852 2.294 -0.356) 3.677 4.083 ( 1.148 0.282 -2.191) 2.489 4.150 ( -2.764 -0.747 1.877) 3.423 4.286 ( -0.382 0.620 0.387) 0.824 4.357 ( 0.266 -2.746 -0.291) 2.774 4.689 ( -0.292 5.418 1.072) 5.530 4.845 ( -5.337 1.493 -0.857) 5.608 4.946 ( 6.424 -5.528 -4.123) 9.425 5.151 ( -2.907 -2.728 3.963) 5.621 5.381 ( -0.071 -8.830 0.008) 8.830 5.524 ( 1.553 -3.340 -0.738) 3.757======================= Grid point 93 (39/84) =======================q-point: ( 0.33 0.18 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 132Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.589 ( 5.690 0.568 1.867) 6.015 0.779 ( 0.953 16.337 -0.850) 16.386 0.802 ( -2.884 4.911 1.211) 5.822 0.938 ( 5.908 6.145 -8.934) 12.348 1.134 ( 1.142 12.687 -2.057) 12.903 1.208 ( -4.292 0.813 6.327) 7.689 1.256 ( 4.045 -0.089 -4.828) 6.299 1.382 ( 4.257 2.786 -1.954) 5.450 1.496 ( 1.440 4.886 -0.196) 5.098 1.683 ( -3.175 7.201 2.167) 8.163 1.754 ( -0.894 6.631 2.785) 7.247 1.904 ( 0.205 6.741 1.197) 6.849 1.989 ( -4.509 8.790 8.495) 13.029 2.101 ( -2.258 11.851 3.226) 12.488 2.201 ( 3.801 2.778 -7.529) 8.880 2.250 ( 3.025 1.333 -5.584) 6.489 2.344 ( -0.656 3.118 -1.576) 3.554 2.518 ( 1.335 2.371 0.086) 2.723 2.542 ( 0.301 0.287 -0.341) 0.538 2.617 ( -0.704 -2.275 0.923) 2.554 3.098 ( -3.278 -2.697 7.316) 8.458 3.133 ( 1.590 -0.159 -1.522) 2.207 3.175 ( 1.982 -5.724 -2.728) 6.643 3.339 ( -0.009 -1.784 -1.275) 2.193 3.396 ( 0.561 -0.613 -0.469) 0.954 3.420 ( 0.333 -1.375 0.250) 1.436 3.477 ( -2.635 -0.084 -0.300) 2.653 3.581 ( -1.451 -1.904 -0.105) 2.396 3.659 ( -2.230 -2.340 1.871) 3.735 3.701 ( -0.362 -4.924 -1.726) 5.231 3.859 ( -0.937 -0.207 -0.557) 1.110 3.973 ( -2.319 3.824 0.483) 4.499 4.066 ( -2.744 1.386 3.917) 4.980 4.126 ( 0.808 -0.614 -3.303) 3.455 4.284 ( 0.076 0.166 0.997) 1.014 4.351 ( -0.705 -1.031 -0.212) 1.267 4.688 ( 0.138 5.002 0.552) 5.034 4.758 ( -2.549 8.363 -3.669) 9.482 5.053 ( -0.871 -7.543 -0.155) 7.595 5.086 ( 2.232 -6.047 0.778) 6.493 5.418 ( 2.686 -6.397 1.453) 7.089 5.546 ( 0.008 -7.267 0.335) 7.275======================= Grid point 94 (40/84) =======================q-point: (-0.50 0.18 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 132Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.652 ( -1.852 -0.117 2.356) 2.999 0.745 ( -1.001 3.359 -0.657) 3.566 0.815 ( 1.931 11.847 -1.715) 12.125 1.013 ( -1.711 7.329 -2.165) 7.831 1.100 ( -0.024 4.292 -0.584) 4.332 1.212 ( 3.350 8.702 -6.099) 11.142 1.331 ( 2.632 1.920 -3.796) 5.002 1.443 ( 1.333 0.868 -2.051) 2.596 1.507 ( -0.374 5.358 0.068) 5.371 1.641 ( -0.518 5.786 2.443) 6.302 1.708 ( -3.272 6.057 7.457) 10.149 1.890 ( -2.881 10.242 7.573) 13.060 1.935 ( 0.488 9.096 -0.599) 9.129 2.047 ( -2.517 10.525 4.087) 11.568 2.252 ( 1.882 3.601 -4.672) 6.192 2.311 ( 1.753 -0.314 -3.371) 3.812 2.358 ( 2.077 3.933 -5.929) 7.411 2.534 ( 0.018 4.581 0.300) 4.591 2.550 ( 0.340 -1.589 -0.892) 1.854 2.593 ( -1.439 -2.282 2.389) 3.603 3.029 ( -2.848 -1.829 5.847) 6.756 3.150 ( -0.276 -3.998 0.671) 4.064 3.243 ( 4.525 -2.211 -3.598) 6.190 3.338 ( -0.169 -1.182 -0.940) 1.520 3.411 ( 0.591 -0.853 -0.270) 1.073 3.423 ( -0.215 -1.516 -1.328) 2.027 3.430 ( -1.341 -0.359 -0.377) 1.439 3.555 ( -1.145 -2.111 1.409) 2.784 3.616 ( -0.725 -2.475 1.156) 2.826 3.722 ( 1.670 -4.340 -1.643) 4.932 3.850 ( 0.286 0.141 -1.029) 1.077 3.941 ( -0.789 3.749 1.612) 4.157 4.017 ( -1.605 3.703 3.003) 5.031 4.148 ( 1.183 -1.834 -2.255) 3.138 4.286 ( 0.153 -0.346 1.336) 1.388 4.334 ( -0.766 0.455 -0.231) 0.920 4.694 ( 0.417 4.797 -0.203) 4.819 4.745 ( 1.257 7.409 -4.160) 8.590 5.008 ( -1.896 -5.844 3.486) 7.064 5.151 ( 2.647 -10.167 -2.864) 10.890 5.471 ( 0.457 1.194 0.513) 1.378 5.517 ( -1.380 -13.437 2.155) 13.678======================= Grid point 96 (41/84) =======================q-point: (-0.33 0.18 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 132Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.553 ( -5.481 3.709 1.876) 6.879 0.723 ( -1.479 2.573 -3.370) 4.491 0.835 ( -2.123 8.920 -0.906) 9.213 0.936 ( -1.552 8.849 1.029) 9.043 1.127 ( -0.549 3.525 -4.647) 5.858 1.249 ( -1.177 2.715 -1.896) 3.514 1.377 ( 2.660 3.580 -3.433) 5.628 1.461 ( 2.298 6.143 -5.046) 8.275 1.503 ( -0.708 4.461 1.594) 4.790 1.620 ( -5.573 10.804 9.558) 15.464 1.648 ( 1.220 1.959 2.065) 3.097 1.840 ( -1.149 10.608 3.415) 11.203 1.952 ( 0.439 10.840 -0.029) 10.849 2.012 ( -0.273 9.264 1.551) 9.397 2.284 ( 0.835 4.917 -3.111) 5.878 2.341 ( 1.527 0.325 -0.824) 1.765 2.409 ( 2.654 1.847 -6.758) 7.492 2.517 ( -1.461 1.813 0.250) 2.342 2.542 ( -2.448 -1.846 3.113) 4.369 2.561 ( -0.656 -0.229 -0.164) 0.714 2.988 ( -0.902 -1.672 2.638) 3.251 3.135 ( -0.829 -4.351 0.595) 4.469 3.322 ( -0.902 -1.361 1.036) 1.934 3.348 ( 3.950 -1.909 -2.074) 4.853 3.398 ( -0.863 0.120 -0.274) 0.913 3.415 ( -0.058 -1.782 0.716) 1.921 3.444 ( 1.727 -2.250 -1.729) 3.322 3.548 ( 0.776 -1.800 0.787) 2.113 3.623 ( 0.805 -2.418 -0.034) 2.548 3.760 ( 1.702 -4.465 0.032) 4.779 3.878 ( 2.321 1.051 -2.421) 3.515 3.940 ( 0.760 1.533 2.837) 3.313 4.004 ( 0.445 5.512 0.677) 5.572 4.175 ( 1.296 -2.430 -0.816) 2.873 4.291 ( 0.293 -1.264 1.531) 2.007 4.323 ( -0.254 1.041 -0.852) 1.369 4.698 ( -0.089 5.077 0.345) 5.089 4.810 ( 4.887 4.639 -4.507) 8.106 4.963 ( -2.753 -5.914 1.898) 6.794 5.218 ( 4.039 -8.862 -1.046) 9.795 5.366 ( -7.923 -7.024 2.242) 10.823 5.548 ( 1.906 -4.537 0.408) 4.938======================= Grid point 97 (42/84) =======================q-point: (-0.17 0.18 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 132Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.473 ( -1.975 8.286 2.725) 8.943 0.696 ( -0.668 3.835 -5.976) 7.132 0.758 ( -2.850 12.634 0.854) 12.979 0.945 ( 0.480 9.038 -5.999) 10.859 1.074 ( -2.738 -0.327 -0.126) 2.760 1.186 ( -3.373 0.728 1.389) 3.720 1.433 ( 1.238 -0.157 1.130) 1.684 1.452 ( -6.960 11.932 11.476) 17.959 1.485 ( -3.042 8.431 2.195) 9.228 1.565 ( 6.660 9.263 -10.656) 15.611 1.686 ( 1.927 3.493 0.199) 3.994 1.846 ( 1.666 9.711 -0.999) 9.904 1.952 ( -0.143 9.970 2.259) 10.224 2.034 ( 1.785 9.779 -1.993) 10.138 2.281 ( -0.938 4.225 -1.504) 4.582 2.375 ( 1.401 2.217 -0.691) 2.712 2.434 ( -4.354 0.600 6.020) 7.454 2.483 ( -1.626 0.204 0.331) 1.672 2.490 ( 2.120 -1.058 -3.880) 4.546 2.553 ( -0.384 -1.035 -1.976) 2.263 2.991 ( 1.108 -1.556 -0.445) 1.962 3.122 ( -0.295 -4.212 0.114) 4.224 3.285 ( -2.190 -1.363 1.334) 2.904 3.380 ( -0.261 -0.280 -0.674) 0.775 3.397 ( 0.103 -1.937 -1.537) 2.474 3.441 ( 1.904 -2.756 5.175) 6.165 3.470 ( 0.406 -1.578 -0.447) 1.689 3.596 ( 3.515 -3.120 -1.636) 4.976 3.634 ( 0.137 -2.045 0.500) 2.110 3.787 ( 0.759 -3.810 0.113) 3.886 3.913 ( 0.459 1.636 0.391) 1.744 3.985 ( 3.209 0.461 -1.432) 3.544 4.035 ( 2.332 3.897 -0.634) 4.585 4.198 ( 0.708 -2.846 0.860) 3.057 4.302 ( 0.720 -3.078 1.566) 3.528 4.321 ( 0.025 1.312 -1.546) 2.028 4.696 ( 0.035 5.603 1.079) 5.707 4.891 ( -3.710 -5.589 -0.391) 6.719 4.943 ( 7.328 0.530 -4.639) 8.689 5.173 ( -9.195 -8.427 4.758) 13.349 5.322 ( 4.899 -5.609 -0.969) 7.510 5.571 ( -0.143 -3.335 -0.598) 3.391======================= Grid point 98 (43/84) =======================q-point: ( 0.00 0.27 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 132Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.615 ( -1.444 7.102 2.375) 7.627 0.789 ( 3.283 1.885 -5.431) 6.620 1.021 ( -2.052 5.758 -0.577) 6.140 1.087 ( 1.477 1.125 -0.678) 1.977 1.123 ( 1.323 7.378 -1.803) 7.710 1.161 ( 0.904 11.220 -3.564) 11.807 1.391 ( -2.184 -0.301 5.691) 6.103 1.545 ( -0.235 4.345 2.000) 4.789 1.630 ( -4.987 11.333 4.660) 13.230 1.785 ( 3.552 4.810 -5.288) 7.982 1.902 ( 1.462 7.989 -2.463) 8.487 2.075 ( -1.096 4.869 4.287) 6.579 2.144 ( 1.904 10.505 -2.583) 10.984 2.203 ( -0.137 1.800 -1.315) 2.233 2.336 ( -0.209 1.852 2.480) 3.102 2.351 ( -1.687 5.890 2.865) 6.763 2.426 ( -0.781 -0.096 -2.165) 2.304 2.510 ( 0.886 3.240 -1.508) 3.682 2.521 ( 0.081 -0.233 -1.174) 1.200 2.545 ( 0.594 1.438 -0.122) 1.561 2.992 ( 0.872 -3.009 -0.857) 3.248 3.051 ( 1.091 -2.231 -1.599) 2.954 3.213 ( -2.510 0.110 3.025) 3.932 3.337 ( -0.854 -1.964 -2.120) 3.014 3.360 ( -0.051 -1.949 0.867) 2.134 3.393 ( -0.678 -1.347 2.000) 2.505 3.472 ( 2.247 -2.190 0.183) 3.143 3.566 ( 0.829 -3.218 0.661) 3.388 3.595 ( 0.456 -3.275 -2.002) 3.865 3.694 ( -1.211 -5.427 0.936) 5.638 3.915 ( -1.492 0.441 1.256) 2.000 4.032 ( 1.844 -1.288 -1.793) 2.877 4.117 ( -0.521 -4.066 0.611) 4.145 4.145 ( -0.446 3.492 0.318) 3.535 4.264 ( 2.158 -2.270 -2.520) 4.020 4.351 ( -1.194 3.337 1.449) 3.829 4.694 ( -0.508 -5.810 2.260) 6.255 4.739 ( -0.464 -6.202 -0.042) 6.220 4.874 ( -0.574 -0.387 1.021) 1.234 5.083 ( 1.673 -0.379 -3.431) 3.836 5.313 ( 0.533 -3.451 2.645) 4.381 5.469 ( -1.342 -3.600 -1.951) 4.309======================= Grid point 99 (44/84) =======================q-point: ( 0.17 0.27 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 132Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.595 ( -0.378 5.340 0.408) 5.369 0.884 ( 5.833 1.880 -5.517) 8.246 0.971 ( -2.546 5.097 0.931) 5.773 1.113 ( 1.882 -0.111 0.082) 1.887 1.160 ( -0.236 15.696 0.527) 15.707 1.207 ( 3.616 3.012 -5.351) 7.126 1.342 ( -2.332 1.522 5.827) 6.458 1.541 ( -2.490 7.974 3.037) 8.888 1.569 ( 1.985 8.906 -1.280) 9.213 1.846 ( 2.012 4.951 -3.999) 6.675 1.902 ( -1.524 6.197 -0.469) 6.399 2.026 ( -2.459 2.980 4.888) 6.231 2.177 ( -0.562 2.388 -1.565) 2.911 2.218 ( 2.170 5.723 -3.775) 7.191 2.279 ( -2.082 5.548 4.487) 7.432 2.356 ( -0.446 7.175 1.841) 7.421 2.433 ( 1.084 4.330 -3.625) 5.750 2.500 ( 0.080 1.130 0.141) 1.142 2.550 ( 1.194 -1.135 -0.842) 1.850 2.574 ( 1.642 0.486 0.236) 1.729 3.011 ( 0.803 -5.670 -1.095) 5.831 3.072 ( 0.833 -1.541 -0.695) 1.884 3.164 ( -1.865 1.265 2.735) 3.544 3.314 ( -1.026 -1.539 -1.105) 2.155 3.359 ( -0.040 -2.051 0.387) 2.087 3.389 ( 0.378 -0.856 0.555) 1.088 3.498 ( -0.542 -1.793 1.055) 2.150 3.565 ( -0.231 -2.317 1.220) 2.629 3.598 ( -0.409 -4.405 -5.048) 6.712 3.652 ( -2.370 -4.767 2.855) 6.041 3.883 ( -1.419 0.451 -0.286) 1.516 4.043 ( -0.815 -0.817 -0.098) 1.158 4.109 ( -0.180 -2.677 0.216) 2.692 4.130 ( -0.762 2.858 0.023) 2.958 4.308 ( 1.215 -0.875 -1.964) 2.470 4.325 ( -0.774 2.260 1.872) 3.035 4.702 ( 0.941 -4.614 2.062) 5.140 4.755 ( 1.718 -7.113 -0.772) 7.358 4.886 ( 1.543 0.389 -0.320) 1.623 5.104 ( -0.441 -1.584 0.411) 1.695 5.250 ( -4.407 -4.134 -0.487) 6.062 5.474 ( 1.140 -2.481 -0.604) 2.796======================= Grid point 100 (45/84) =======================q-point: ( 0.33 0.27 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 132Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.607 ( 1.678 1.768 -0.928) 2.608 0.900 ( -4.032 3.772 1.851) 5.824 1.022 ( 6.174 0.695 -3.917) 7.345 1.123 ( -0.931 15.092 1.438) 15.188 1.178 ( 1.841 2.112 -0.284) 2.816 1.259 ( 0.609 2.800 -1.034) 3.046 1.317 ( 1.034 2.444 0.957) 2.821 1.518 ( 0.362 6.336 -0.698) 6.385 1.619 ( 1.749 7.389 -3.177) 8.231 1.828 ( -3.120 7.012 3.582) 8.469 1.876 ( -1.117 5.283 0.695) 5.444 2.007 ( 1.025 2.521 -0.955) 2.885 2.150 ( -1.467 4.835 0.632) 5.092 2.215 ( -1.879 3.413 2.142) 4.446 2.284 ( 1.276 2.818 -1.098) 3.282 2.354 ( 0.609 7.824 -0.232) 7.852 2.449 ( 0.458 6.829 -3.514) 7.693 2.514 ( 0.860 -0.666 0.306) 1.130 2.565 ( 0.184 -1.733 0.478) 1.807 2.604 ( 1.020 2.192 0.383) 2.448 3.017 ( -0.419 -5.865 1.197) 6.000 3.075 ( -0.717 -1.904 3.782) 4.294 3.157 ( 1.540 1.256 -3.158) 3.731 3.303 ( -0.016 -1.674 -0.705) 1.817 3.362 ( 0.369 -2.195 -0.576) 2.299 3.401 ( 0.499 -0.572 -0.018) 0.759 3.456 ( -2.546 -1.849 0.063) 3.147 3.546 ( -1.568 -1.600 -0.562) 2.310 3.596 ( -1.227 -4.099 1.445) 4.516 3.612 ( 0.153 -2.942 -1.187) 3.176 3.860 ( -0.727 0.703 -1.314) 1.658 4.014 ( -1.586 0.236 1.987) 2.553 4.107 ( -0.055 -0.333 -0.855) 0.919 4.117 ( -0.392 2.238 -0.070) 2.273 4.284 ( -1.603 0.255 3.266) 3.647 4.349 ( 1.272 0.983 -2.160) 2.692 4.720 ( 0.600 -3.178 1.771) 3.688 4.801 ( 2.420 -5.916 -1.907) 6.670 4.914 ( 0.653 -1.334 -1.864) 2.383 5.028 ( -5.168 -0.099 3.847) 6.443 5.236 ( 2.290 -7.924 -1.856) 8.454 5.488 ( 0.044 -1.494 0.075) 1.496======================= Grid point 101 (46/84) =======================q-point: (-0.50 0.27 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 132Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.642 ( 0.597 0.188 -1.470) 1.598 0.815 ( -3.243 3.060 2.978) 5.362 1.072 ( -1.170 9.098 -0.038) 9.173 1.134 ( -0.513 2.837 1.598) 3.296 1.194 ( 2.453 9.281 -3.410) 10.187 1.269 ( -0.499 -0.793 0.010) 0.937 1.368 ( 2.962 2.077 -2.589) 4.448 1.549 ( 2.404 5.625 -3.358) 6.978 1.615 ( -1.595 4.721 -0.660) 5.027 1.772 ( -2.660 6.713 5.585) 9.129 1.848 ( -0.415 8.004 0.292) 8.020 2.048 ( 2.002 3.486 -1.471) 4.281 2.126 ( -0.616 8.657 1.621) 8.829 2.173 ( -1.669 2.649 1.476) 3.462 2.308 ( 0.964 1.135 -0.202) 1.503 2.370 ( 0.801 5.833 -1.485) 6.072 2.456 ( 0.161 4.796 -3.552) 5.970 2.526 ( 0.214 -0.235 0.093) 0.331 2.558 ( -0.843 -0.479 1.200) 1.543 2.615 ( 0.024 2.598 0.519) 2.649 2.996 ( -1.326 -2.605 3.120) 4.275 3.055 ( -1.028 -3.490 2.179) 4.241 3.215 ( 3.561 -0.767 -3.083) 4.773 3.308 ( 0.365 -1.940 -0.467) 2.028 3.370 ( 0.230 -2.017 -2.172) 2.973 3.400 ( -0.660 -0.802 0.517) 1.160 3.418 ( -0.936 -1.174 -0.602) 1.618 3.514 ( -1.129 -1.689 0.485) 2.089 3.567 ( -0.646 -2.191 0.955) 2.476 3.638 ( 1.587 -3.531 -0.848) 3.963 3.856 ( 0.550 0.832 -2.100) 2.325 3.985 ( -1.053 1.209 2.972) 3.377 4.108 ( 0.223 4.157 -0.376) 4.180 4.116 ( 0.293 -1.067 -0.794) 1.362 4.255 ( -1.230 -1.764 3.076) 3.754 4.369 ( 0.681 2.505 -1.455) 2.976 4.729 ( 0.391 -3.206 0.967) 3.372 4.827 ( -0.454 -2.883 -1.112) 3.123 4.909 ( -1.069 -1.684 -0.979) 2.222 4.982 ( 1.898 -2.999 1.441) 3.830 5.269 ( -0.463 -9.587 -0.435) 9.608 5.485 ( 0.176 -0.343 0.072) 0.392======================= Grid point 103 (47/84) =======================q-point: (-0.33 0.27 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 132Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.627 ( -0.777 3.527 -0.943) 3.733 0.777 ( -1.095 2.607 0.132) 2.831 1.036 ( -1.882 8.493 -1.372) 8.806 1.102 ( -1.076 7.023 0.754) 7.145 1.212 ( -4.220 -1.090 2.021) 4.805 1.243 ( 0.076 5.599 -2.937) 6.323 1.408 ( 0.927 1.690 -0.311) 1.952 1.597 ( -0.093 4.699 0.208) 4.705 1.609 ( 2.878 4.075 -3.922) 6.346 1.723 ( -0.746 5.004 3.504) 6.154 1.858 ( 0.562 12.240 -0.703) 12.273 2.059 ( -0.651 8.385 3.488) 9.105 2.139 ( 1.083 3.739 -0.285) 3.903 2.157 ( 0.535 7.726 -0.749) 7.781 2.319 ( -0.004 -0.166 0.802) 0.819 2.394 ( 1.569 2.983 -1.723) 3.785 2.452 ( -0.570 0.799 -2.999) 3.155 2.516 ( -1.551 0.169 1.368) 2.075 2.534 ( -0.981 3.399 -0.125) 3.540 2.605 ( -0.994 1.917 0.385) 2.194 2.974 ( -0.469 -0.145 1.860) 1.924 3.035 ( -0.693 -4.842 0.481) 4.915 3.281 ( 1.700 -2.233 0.995) 2.977 3.316 ( 0.681 -1.457 -1.443) 2.161 3.368 ( -0.248 -1.833 0.079) 1.852 3.389 ( -0.351 -1.276 -2.211) 2.576 3.409 ( 0.580 -1.152 -0.111) 1.295 3.507 ( 0.326 -2.087 0.916) 2.302 3.570 ( 0.769 -2.510 -0.397) 2.655 3.672 ( 1.499 -3.884 0.289) 4.173 3.886 ( 2.223 0.292 -2.831) 3.611 3.972 ( -0.173 1.684 3.068) 3.504 4.117 ( 0.588 3.402 -0.002) 3.452 4.128 ( 0.754 -0.264 -0.817) 1.143 4.232 ( -0.841 -3.285 1.964) 3.918 4.378 ( 0.132 3.368 -0.606) 3.425 4.735 ( -0.065 -4.323 0.841) 4.405 4.806 ( -1.282 -3.075 -0.624) 3.389 4.890 ( -0.162 -1.817 -1.589) 2.419 5.057 ( 3.218 -4.690 3.656) 6.762 5.218 ( -2.554 -5.007 -2.382) 6.105 5.499 ( 0.686 -2.071 0.074) 2.183======================= Grid point 104 (48/84) =======================q-point: (-0.17 0.27 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 132Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.633 ( 0.446 7.118 1.961) 7.397 0.753 ( -0.416 1.681 -4.509) 4.830 1.020 ( 0.843 8.502 -3.583) 9.264 1.093 ( -0.794 7.347 -0.302) 7.395 1.124 ( -2.526 0.165 1.294) 2.843 1.196 ( -3.401 7.632 -0.716) 8.386 1.420 ( -0.228 -0.534 3.154) 3.207 1.568 ( -1.771 4.515 2.829) 5.615 1.681 ( 2.792 3.134 -4.010) 5.805 1.731 ( -0.027 7.585 0.927) 7.641 1.865 ( 1.024 13.038 -0.884) 13.108 2.060 ( 1.065 9.250 0.435) 9.321 2.139 ( -0.407 6.744 2.491) 7.201 2.191 ( 1.499 5.924 -1.888) 6.395 2.317 ( 0.255 -0.554 0.630) 0.877 2.406 ( -1.603 0.704 2.011) 2.666 2.456 ( 0.755 -1.278 -2.587) 2.982 2.468 ( -1.187 0.491 -0.702) 1.464 2.525 ( -0.010 6.383 -1.059) 6.471 2.572 ( -2.073 1.340 0.322) 2.489 2.977 ( 0.538 -0.206 0.519) 0.775 3.032 ( 0.471 -4.356 -1.020) 4.499 3.264 ( -2.196 -0.582 1.975) 3.010 3.341 ( 0.634 -2.458 -2.158) 3.332 3.365 ( -0.346 -1.833 1.930) 2.684 3.391 ( 0.932 -1.776 1.105) 2.290 3.435 ( 1.162 -1.854 -1.736) 2.793 3.528 ( 1.868 -3.272 0.385) 3.787 3.587 ( 0.595 -2.505 -0.488) 2.621 3.697 ( 0.740 -4.642 0.394) 4.717 3.929 ( 0.818 0.097 -0.236) 0.857 3.984 ( 1.823 0.336 0.118) 1.857 4.125 ( -0.062 -2.551 -0.012) 2.551 4.142 ( 0.563 3.868 0.270) 3.919 4.230 ( 0.860 -3.127 -0.555) 3.290 4.372 ( -0.674 3.381 0.281) 3.459 4.719 ( -1.363 -5.872 1.986) 6.346 4.769 ( -2.014 -3.993 -0.218) 4.477 4.894 ( -0.479 -3.517 -1.334) 3.792 5.061 ( -0.471 -1.294 1.237) 1.851 5.249 ( 4.159 -2.050 -0.891) 4.722 5.500 ( -0.805 -3.882 -0.492) 3.995======================= Grid point 105 (49/84) =======================q-point: ( 0.00 0.36 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 132Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.738 ( -1.338 4.584 0.735) 4.832 0.829 ( 2.463 3.116 -2.077) 4.482 0.979 ( -0.571 -4.160 0.263) 4.207 1.116 ( 0.414 -0.829 -0.850) 1.257 1.319 ( -2.242 10.010 0.535) 10.271 1.422 ( -0.233 4.586 3.323) 5.668 1.471 ( 2.858 14.364 -4.091) 15.206 1.609 ( -0.230 1.867 2.047) 2.780 1.738 ( -1.628 1.231 -1.210) 2.372 1.884 ( 2.244 3.512 -4.694) 6.277 2.079 ( -1.764 -2.043 3.257) 4.230 2.087 ( -0.655 6.496 2.106) 6.860 2.216 ( -0.992 0.585 0.123) 1.158 2.315 ( 0.791 4.896 -0.632) 5.000 2.390 ( 2.487 2.715 -1.077) 3.837 2.430 ( -2.108 2.015 1.036) 3.095 2.450 ( 1.608 -1.769 -1.211) 2.680 2.476 ( 1.065 2.361 -0.445) 2.628 2.537 ( -1.397 1.136 0.851) 1.991 2.662 ( -0.506 5.207 -0.431) 5.250 2.929 ( -0.680 -2.256 1.271) 2.677 3.013 ( 1.305 -1.753 -1.258) 2.521 3.233 ( -1.399 1.321 0.419) 1.969 3.300 ( -0.371 -1.570 -1.227) 2.027 3.326 ( -0.036 -0.793 1.453) 1.656 3.371 ( 0.203 -0.947 0.552) 1.115 3.429 ( 1.797 -1.709 -0.962) 2.660 3.488 ( 1.349 -4.160 -1.057) 4.499 3.531 ( -0.983 -2.960 0.015) 3.119 3.577 ( -1.097 -5.438 1.380) 5.717 3.930 ( -0.980 0.894 0.583) 1.449 4.010 ( 1.195 -0.822 -0.587) 1.565 4.045 ( -0.194 -2.639 0.259) 2.659 4.140 ( -0.084 -2.815 0.375) 2.841 4.290 ( 1.409 3.504 -2.921) 4.775 4.415 ( -1.461 1.598 2.573) 3.363 4.583 ( 0.299 -3.264 0.858) 3.388 4.623 ( -0.642 -4.242 -0.231) 4.296 4.907 ( 0.131 3.015 1.919) 3.577 5.090 ( 1.141 0.840 -4.264) 4.493 5.247 ( -0.856 -3.072 2.496) 4.050 5.376 ( -0.024 -5.297 -0.804) 5.357======================= Grid point 106 (50/84) =======================q-point: ( 0.17 0.36 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 132Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.712 ( -1.605 6.159 -0.681) 6.401 0.894 ( 4.092 0.061 -0.592) 4.135 0.981 ( -0.018 -2.124 -0.254) 2.139 1.121 ( 0.644 -1.696 0.245) 1.831 1.303 ( 0.793 7.095 -1.864) 7.379 1.414 ( -0.531 5.559 3.250) 6.461 1.484 ( -1.021 12.450 -0.349) 12.497 1.626 ( -0.669 4.825 1.760) 5.180 1.703 ( 0.451 1.324 -3.420) 3.695 1.926 ( 1.681 2.352 -4.601) 5.434 2.025 ( -3.024 1.872 4.008) 5.358 2.070 ( -1.153 4.990 0.955) 5.210 2.203 ( -0.050 1.892 -0.340) 1.923 2.322 ( -0.427 3.532 -1.364) 3.810 2.378 ( -1.744 3.630 1.544) 4.313 2.449 ( 0.922 -4.738 0.273) 4.835 2.461 ( 0.835 2.070 0.100) 2.234 2.515 ( -0.260 3.760 1.245) 3.969 2.530 ( 2.922 -0.475 -1.741) 3.434 2.655 ( -0.041 4.727 -0.530) 4.757 2.917 ( -0.452 -2.754 0.294) 2.806 3.034 ( 0.796 -1.975 0.086) 2.131 3.206 ( -1.036 2.213 0.252) 2.456 3.286 ( -0.903 -1.272 -0.286) 1.586 3.324 ( -0.180 -0.677 0.817) 1.076 3.378 ( 0.664 -0.460 -0.137) 0.819 3.453 ( -0.742 -2.427 0.420) 2.572 3.500 ( 0.372 -3.917 -2.844) 4.854 3.515 ( 0.223 -2.803 0.204) 2.819 3.563 ( -0.412 -3.919 1.553) 4.236 3.908 ( -0.890 1.894 -0.402) 2.131 4.017 ( -0.309 -1.456 0.514) 1.575 4.062 ( 1.356 -1.577 0.214) 2.091 4.146 ( 0.475 -1.491 0.389) 1.612 4.319 ( 1.371 1.992 -3.829) 4.528 4.374 ( -2.195 1.461 3.397) 4.301 4.594 ( 0.665 -4.090 1.503) 4.408 4.626 ( 0.869 -4.504 -1.146) 4.728 4.915 ( 0.664 2.132 1.942) 2.959 5.104 ( 0.166 1.400 -3.472) 3.747 5.176 ( -4.926 -3.377 1.648) 6.196 5.402 ( 1.783 -4.555 -0.299) 4.901======================= Grid point 107 (51/84) =======================q-point: ( 0.33 0.36 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 132Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.682 ( -0.609 5.747 -1.982) 6.110 0.936 ( -2.791 0.011 4.208) 5.049 1.001 ( 4.075 -1.246 -3.909) 5.783 1.162 ( 2.776 -3.626 1.388) 4.773 1.331 ( 0.752 5.293 -1.913) 5.678 1.400 ( -0.253 6.510 1.702) 6.733 1.460 ( -1.073 12.742 0.107) 12.788 1.593 ( -0.548 1.428 0.866) 1.758 1.729 ( 0.047 3.447 -2.712) 4.386 1.942 ( -1.610 2.735 1.226) 3.402 1.974 ( -0.108 1.685 0.896) 1.912 2.051 ( -0.241 5.072 -2.065) 5.482 2.210 ( 0.586 3.134 -2.376) 3.977 2.294 ( -2.104 3.178 1.144) 3.980 2.354 ( -0.337 2.828 1.428) 3.186 2.443 ( -0.285 -2.936 0.841) 3.068 2.488 ( 0.602 1.182 -0.236) 1.348 2.515 ( 0.222 1.740 1.621) 2.388 2.583 ( 1.766 -0.028 -1.912) 2.602 2.661 ( 0.550 4.160 -0.739) 4.261 2.911 ( -0.161 -3.235 -0.050) 3.240 3.045 ( 0.029 -1.504 2.651) 3.048 3.194 ( 0.031 2.084 -0.722) 2.206 3.267 ( -0.709 -1.791 0.005) 1.926 3.328 ( 0.679 -0.427 -0.640) 1.027 3.391 ( 0.336 -0.815 -0.364) 0.954 3.416 ( -1.665 -1.326 0.563) 2.202 3.507 ( -0.902 -2.340 -2.038) 3.231 3.527 ( 1.080 -2.306 0.545) 2.605 3.555 ( -0.060 -2.634 0.308) 2.653 3.894 ( -0.415 2.532 -1.089) 2.787 4.011 ( -0.193 -0.167 0.887) 0.923 4.084 ( 0.722 -0.990 0.386) 1.284 4.154 ( 0.323 0.215 0.151) 0.416 4.306 ( -2.565 1.638 2.848) 4.168 4.370 ( 1.822 0.640 -2.875) 3.463 4.605 ( 0.250 -5.893 1.362) 6.054 4.651 ( 1.302 -6.174 -1.570) 6.502 4.930 ( 0.481 0.989 2.364) 2.607 5.054 ( -4.381 1.920 2.470) 5.384 5.126 ( 0.531 -2.497 -3.891) 4.654 5.433 ( 0.959 -4.169 -0.173) 4.282======================= Grid point 108 (52/84) =======================q-point: (-0.50 0.36 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 132Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.692 ( 1.102 4.963 -3.036) 5.921 0.865 ( -2.838 2.038 4.211) 5.472 1.070 ( 1.829 -2.892 -3.433) 4.847 1.195 ( -0.512 -4.861 2.521) 5.500 1.309 ( -1.601 8.134 0.221) 8.293 1.414 ( 0.334 8.233 1.141) 8.318 1.462 ( 2.031 7.808 -1.540) 8.214 1.621 ( 2.644 1.653 -3.955) 5.036 1.694 ( -2.440 3.751 1.222) 4.638 1.873 ( -3.966 3.197 5.330) 7.373 2.016 ( 3.133 2.378 -2.885) 4.878 2.063 ( 1.195 2.771 -3.236) 4.425 2.206 ( -1.594 2.017 0.862) 2.711 2.268 ( 0.639 5.105 -1.014) 5.244 2.359 ( 0.311 1.908 1.353) 2.360 2.437 ( -0.479 -0.775 0.983) 1.340 2.485 ( -0.746 1.175 0.242) 1.413 2.522 ( 0.407 0.975 0.766) 1.305 2.601 ( 0.012 -0.534 -1.191) 1.305 2.672 ( 0.365 4.486 -0.901) 4.590 2.912 ( 0.369 -3.363 -0.569) 3.431 3.029 ( -1.483 -0.617 4.254) 4.547 3.211 ( 1.471 0.375 -1.057) 1.850 3.262 ( 0.312 -2.032 0.684) 2.167 3.345 ( 0.628 -0.388 -3.271) 3.354 3.385 ( -0.817 -1.461 0.445) 1.732 3.397 ( -0.385 0.186 0.399) 0.585 3.484 ( -1.102 -1.464 -0.831) 2.011 3.527 ( -0.420 -1.556 0.743) 1.775 3.575 ( 1.332 -2.705 -0.593) 3.073 3.892 ( 0.208 2.565 -1.356) 2.909 4.008 ( -0.092 0.970 1.023) 1.413 4.092 ( 0.020 -0.740 0.377) 0.830 4.164 ( 0.698 0.196 -0.500) 0.881 4.251 ( -2.396 2.092 3.453) 4.694 4.407 ( 1.496 0.563 -2.546) 3.006 4.605 ( -0.171 -6.330 0.470) 6.349 4.675 ( 0.852 -8.023 -1.212) 8.159 4.920 ( -1.237 1.151 3.457) 3.848 5.005 ( -0.016 2.238 0.977) 2.442 5.142 ( 0.710 -2.449 -2.845) 3.821 5.442 ( -0.071 -3.997 -0.211) 4.004======================= Grid point 110 (53/84) =======================q-point: (-0.33 0.36 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 132Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.717 ( 1.646 5.620 -3.440) 6.792 0.830 ( -1.259 2.620 3.235) 4.349 1.069 ( -1.718 -3.418 -2.334) 4.481 1.144 ( -3.151 -3.234 2.328) 5.080 1.306 ( 1.446 10.663 -1.901) 10.927 1.422 ( 0.473 7.054 1.972) 7.340 1.480 ( -1.682 6.843 1.041) 7.123 1.662 ( 1.985 2.245 -2.704) 4.036 1.686 ( 0.603 3.019 -1.723) 3.528 1.805 ( -1.252 3.084 3.008) 4.486 2.079 ( 2.215 3.724 -2.259) 4.886 2.094 ( 1.396 -1.330 -1.331) 2.343 2.176 ( -0.187 2.519 1.451) 2.913 2.302 ( 1.989 5.984 -2.182) 6.672 2.352 ( -1.030 1.223 2.479) 2.950 2.420 ( -0.892 0.154 1.786) 2.002 2.467 ( -0.763 2.803 -0.627) 2.971 2.525 ( -0.474 0.923 0.587) 1.192 2.589 ( -0.975 -1.266 -0.885) 1.826 2.675 ( -0.043 5.283 -0.925) 5.364 2.927 ( 1.018 -3.314 -1.039) 3.619 2.994 ( -1.486 0.044 3.082) 3.422 3.244 ( 1.409 -1.155 0.301) 1.847 3.279 ( 1.054 -1.719 0.835) 2.183 3.351 ( 0.020 -0.781 -4.288) 4.358 3.362 ( -1.221 -0.848 1.883) 2.399 3.390 ( -0.144 -0.303 -0.272) 0.432 3.469 ( -0.299 -1.494 0.119) 1.529 3.525 ( 0.234 -1.838 -0.344) 1.884 3.597 ( 0.640 -3.508 0.005) 3.566 3.904 ( 1.000 1.620 -1.439) 2.387 4.007 ( -0.134 1.251 1.188) 1.730 4.084 ( -0.881 -1.540 0.439) 1.828 4.169 ( -0.771 -2.556 0.380) 2.697 4.226 ( 0.583 4.700 0.678) 4.784 4.430 ( 0.660 0.805 -0.870) 1.356 4.599 ( -0.466 -5.934 0.365) 5.963 4.677 ( -0.746 -7.675 -0.830) 7.755 4.904 ( -0.148 2.892 2.473) 3.808 5.025 ( 1.354 -0.191 0.889) 1.630 5.163 ( 1.752 -0.755 -2.285) 2.977 5.431 ( -0.951 -4.678 -0.143) 4.776======================= Grid point 111 (54/84) =======================q-point: (-0.17 0.36 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 132Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.769 ( 2.926 5.908 -1.768) 6.826 0.785 ( -2.663 2.379 0.636) 3.627 1.016 ( -2.695 -4.437 -0.525) 5.218 1.108 ( -0.168 -0.668 0.403) 0.798 1.354 ( 1.679 12.735 -2.230) 13.038 1.410 ( -1.295 10.753 -0.169) 10.832 1.439 ( -0.461 3.167 3.003) 4.389 1.646 ( -2.641 2.659 3.436) 5.084 1.727 ( 2.534 1.483 -3.832) 4.827 1.834 ( 2.556 3.459 -3.371) 5.464 2.095 ( -0.659 -3.446 4.129) 5.419 2.103 ( 0.015 5.737 -0.262) 5.743 2.210 ( 2.042 1.399 -3.133) 3.993 2.318 ( -1.433 3.601 3.477) 5.207 2.343 ( 1.754 4.729 -1.026) 5.147 2.418 ( 0.842 -0.019 -0.469) 0.964 2.458 ( -0.140 2.525 -0.679) 2.619 2.493 ( -2.252 1.742 1.066) 3.040 2.566 ( -1.243 -0.530 -0.541) 1.456 2.671 ( -0.322 5.425 -0.671) 5.476 2.942 ( -0.176 -2.945 1.417) 3.273 2.984 ( 0.917 -0.324 -0.841) 1.286 3.256 ( -0.494 -0.346 0.683) 0.911 3.298 ( 0.622 -1.662 -0.813) 1.952 3.335 ( -0.898 -0.549 2.504) 2.716 3.358 ( 0.656 -1.602 -1.412) 2.234 3.401 ( 0.976 -1.215 -1.625) 2.251 3.468 ( 0.321 -2.401 0.566) 2.487 3.533 ( 0.428 -2.563 -0.525) 2.650 3.598 ( -0.560 -4.826 0.571) 4.892 3.929 ( 1.091 0.287 -0.694) 1.324 4.000 ( -0.393 0.906 0.946) 1.367 4.059 ( -1.110 -2.751 0.164) 2.972 4.150 ( -0.745 -2.739 0.449) 2.873 4.256 ( 1.753 4.328 -1.641) 4.949 4.434 ( -0.377 1.390 1.038) 1.775 4.586 ( -0.580 -4.891 0.864) 5.000 4.649 ( -1.633 -5.487 -0.478) 5.745 4.906 ( 0.067 3.240 1.903) 3.758 5.057 ( 1.776 0.211 -1.999) 2.682 5.216 ( 2.786 -1.356 0.127) 3.101 5.402 ( -1.690 -5.572 -0.225) 5.827======================= Grid point 112 (55/84) =======================q-point: ( 0.00 0.45 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 132Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.813 ( 0.270 3.443 -0.142) 3.456 0.891 ( 0.177 -3.965 -0.249) 3.977 0.930 ( 0.114 5.722 -0.470) 5.742 1.048 ( -0.121 -5.105 -0.290) 5.114 1.498 ( -2.516 6.686 3.530) 7.968 1.546 ( -0.502 6.410 1.471) 6.596 1.601 ( -1.944 -1.572 4.198) 4.886 1.663 ( 1.428 -1.369 -1.843) 2.704 1.810 ( 1.864 9.497 -4.678) 10.749 1.929 ( 1.660 0.508 -4.772) 5.078 1.994 ( 1.226 -2.767 -0.543) 3.075 2.076 ( 0.817 -6.791 -2.724) 7.363 2.314 ( -0.747 6.687 0.990) 6.801 2.360 ( 0.433 1.774 0.866) 2.021 2.401 ( 0.114 -1.688 0.566) 1.784 2.433 ( -1.023 -3.958 0.421) 4.110 2.464 ( 0.150 1.736 0.927) 1.973 2.474 ( -1.311 1.093 1.594) 2.335 2.628 ( -0.103 4.927 0.402) 4.944 2.700 ( -0.687 -1.544 0.814) 1.875 2.925 ( -0.115 1.853 0.495) 1.921 2.973 ( 0.560 -2.197 -0.589) 2.343 3.254 ( -0.465 0.854 -0.491) 1.090 3.274 ( -0.050 -1.050 -0.712) 1.269 3.331 ( 0.236 0.966 0.641) 1.183 3.353 ( 0.888 -0.843 0.477) 1.314 3.407 ( 0.924 -0.584 -1.574) 1.916 3.415 ( -0.402 -2.116 -0.829) 2.308 3.479 ( -0.859 -1.485 1.087) 2.031 3.492 ( -0.075 -2.508 0.654) 2.593 3.950 ( 0.109 1.167 -0.063) 1.174 3.982 ( -0.064 -1.852 0.261) 1.872 4.033 ( 0.233 1.418 -0.109) 1.441 4.079 ( 0.006 -2.796 -0.188) 2.803 4.356 ( 0.478 2.679 -0.935) 2.877 4.402 ( -0.611 -1.863 1.035) 2.217 4.563 ( 0.197 0.061 0.098) 0.229 4.570 ( -0.265 -1.036 -0.090) 1.073 4.999 ( -0.454 5.541 1.902) 5.876 5.093 ( 0.851 -2.064 -1.540) 2.712 5.203 ( -1.116 0.063 0.507) 1.227 5.264 ( 0.701 -4.973 -0.732) 5.075======================= Grid point 113 (56/84) =======================q-point: ( 0.17 0.45 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 132Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.841 ( 1.301 5.568 -0.050) 5.719 0.917 ( 0.827 0.625 -0.234) 1.063 0.930 ( 1.755 -0.321 0.002) 1.784 1.034 ( -0.944 -5.888 -0.393) 5.976 1.459 ( -0.914 7.004 0.654) 7.094 1.536 ( -0.459 5.050 1.012) 5.171 1.565 ( -1.197 -1.166 2.021) 2.622 1.650 ( -2.349 -4.195 0.195) 4.812 1.853 ( 1.860 11.929 -2.986) 12.437 1.950 ( 0.488 0.464 -2.656) 2.740 2.008 ( -0.131 -0.883 -0.006) 0.893 2.098 ( 0.901 -5.484 -2.015) 5.912 2.296 ( -0.711 5.763 0.282) 5.813 2.358 ( -0.541 -1.250 0.804) 1.582 2.376 ( -1.618 1.528 0.563) 2.295 2.439 ( -1.743 1.144 1.152) 2.382 2.456 ( 1.897 -2.660 0.117) 3.269 2.478 ( 1.224 -1.737 0.283) 2.143 2.619 ( -0.604 4.272 0.275) 4.323 2.685 ( -0.654 -1.741 0.446) 1.912 2.924 ( 0.002 2.867 0.168) 2.872 2.988 ( 0.757 -2.704 0.052) 2.808 3.239 ( -0.791 1.105 -0.094) 1.363 3.263 ( -1.018 -1.089 -0.262) 1.514 3.338 ( 0.383 1.731 0.586) 1.867 3.367 ( 0.425 -0.639 0.385) 0.858 3.411 ( -0.011 -0.951 -0.308) 1.000 3.436 ( 1.314 -2.818 -2.570) 4.034 3.475 ( 0.685 -0.395 1.163) 1.407 3.497 ( 0.477 -2.246 0.452) 2.340 3.952 ( 0.063 2.052 -0.020) 2.053 3.988 ( 0.551 -1.481 0.149) 1.587 4.052 ( 1.380 0.846 0.280) 1.643 4.094 ( 1.367 -2.837 -0.279) 3.162 4.359 ( -0.127 1.408 -1.360) 1.961 4.378 ( -1.530 -0.597 1.369) 2.139 4.551 ( -0.867 -0.169 0.515) 1.022 4.571 ( -0.171 -1.619 -0.469) 1.694 4.982 ( -1.028 4.310 1.553) 4.695 5.077 ( -2.244 -4.402 -0.434) 4.961 5.183 ( -0.274 4.345 -0.560) 4.390 5.293 ( 1.572 -5.734 -0.378) 5.958======================= Grid point 114 (57/84) =======================q-point: ( 0.33 0.45 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 132Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.836 ( -0.895 8.334 -0.582) 8.402 0.934 ( -0.684 -0.184 2.384) 2.487 0.976 ( 2.306 -0.983 -1.194) 2.776 1.040 ( 1.866 -7.186 -0.414) 7.435 1.453 ( -0.244 6.022 -0.878) 6.091 1.526 ( 0.223 5.454 -0.170) 5.461 1.562 ( -0.393 -3.852 -0.854) 3.965 1.598 ( -0.782 -0.309 -0.496) 0.976 1.868 ( -0.830 9.252 1.580) 9.422 1.951 ( -0.333 -0.776 0.276) 0.888 1.990 ( -1.403 1.857 1.143) 2.593 2.100 ( -0.709 -3.906 -0.236) 3.977 2.294 ( 0.271 2.789 -0.447) 2.838 2.324 ( -1.281 -0.618 1.245) 1.890 2.370 ( 0.259 2.789 -1.690) 3.272 2.415 ( -0.195 1.136 -0.933) 1.483 2.481 ( 0.553 -1.180 -0.064) 1.305 2.513 ( 1.601 -3.895 -0.121) 4.213 2.607 ( -0.506 3.819 0.200) 3.857 2.679 ( 0.126 -2.524 -0.576) 2.592 2.924 ( -0.042 3.689 0.220) 3.696 3.000 ( 0.309 -3.017 1.074) 3.218 3.226 ( -0.387 0.906 0.669) 1.191 3.241 ( -0.854 -0.743 0.269) 1.163 3.346 ( 0.386 1.629 -0.206) 1.687 3.369 ( -0.253 -0.822 0.445) 0.968 3.411 ( 0.104 0.602 -0.175) 0.635 3.451 ( 0.126 -2.858 -2.282) 3.659 3.499 ( 1.149 -0.425 0.402) 1.289 3.511 ( 0.805 -1.467 0.036) 1.674 3.953 ( 0.080 2.869 0.096) 2.872 4.000 ( 0.486 -1.375 0.067) 1.460 4.083 ( 1.387 1.225 0.598) 1.945 4.126 ( 1.342 -2.394 -0.099) 2.746 4.339 ( -1.573 1.405 1.155) 2.404 4.365 ( 0.413 -1.044 -1.274) 1.698 4.532 ( -0.873 -0.754 0.484) 1.251 4.560 ( -0.737 -2.923 -0.420) 3.044 4.962 ( -0.813 2.405 1.553) 2.977 5.024 ( -2.134 -3.290 0.031) 3.921 5.185 ( 0.226 6.074 -1.027) 6.164 5.320 ( 0.904 -6.439 -0.314) 6.510======================= Grid point 115 (58/84) =======================q-point: (-0.50 0.45 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 132Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.832 ( 0.637 7.489 -1.015) 7.584 0.903 ( -1.215 1.163 2.435) 2.960 1.010 ( 0.361 -1.999 -0.825) 2.193 1.067 ( -0.016 -6.761 -0.098) 6.762 1.447 ( 0.408 5.289 -1.004) 5.399 1.516 ( -1.383 0.269 1.842) 2.320 1.575 ( 3.016 3.821 -3.962) 6.277 1.644 ( 3.391 -0.770 -4.912) 6.018 1.818 ( -3.611 7.962 5.261) 10.204 1.912 ( -3.303 -0.203 4.332) 5.451 1.980 ( 0.496 0.066 -0.089) 0.508 2.075 ( -1.448 -4.888 1.014) 5.197 2.284 ( -0.408 3.529 0.474) 3.584 2.333 ( 1.023 -0.881 -0.709) 1.524 2.381 ( 0.769 4.428 -2.373) 5.082 2.428 ( 1.115 0.841 -1.516) 2.061 2.486 ( 0.174 -0.793 -0.179) 0.832 2.530 ( -0.077 -4.337 -0.182) 4.342 2.602 ( 0.108 4.455 0.117) 4.457 2.690 ( 0.821 -3.094 -1.212) 3.423 2.922 ( -0.140 3.707 0.283) 3.721 2.997 ( -0.644 -2.750 1.843) 3.372 3.225 ( 0.302 0.697 0.796) 1.101 3.236 ( 0.432 -0.607 0.948) 1.206 3.347 ( -0.441 0.371 -1.525) 1.630 3.359 ( -0.681 -0.876 0.885) 1.419 3.414 ( 0.106 1.328 -0.523) 1.432 3.449 ( -0.207 -1.868 -1.708) 2.540 3.510 ( -0.093 -0.001 0.281) 0.296 3.528 ( 0.608 -1.713 -0.293) 1.841 3.953 ( -0.096 3.073 0.169) 3.080 4.005 ( -0.047 -1.585 0.097) 1.588 4.100 ( 0.048 1.557 0.598) 1.668 4.139 ( -0.212 -1.894 0.108) 1.909 4.314 ( -0.601 3.286 1.090) 3.514 4.379 ( 0.702 -2.850 -1.196) 3.169 4.523 ( 0.250 -1.324 0.093) 1.351 4.549 ( -0.090 -3.802 -0.091) 3.804 4.952 ( 0.119 2.083 1.710) 2.697 5.001 ( -0.115 -2.218 -0.099) 2.223 5.189 ( 0.185 5.939 -1.028) 6.030 5.328 ( -0.198 -6.657 -0.323) 6.668======================= Grid point 117 (59/84) =======================q-point: (-0.33 0.45 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 132Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.853 ( 0.990 6.531 -1.449) 6.763 0.892 ( -0.168 3.405 2.205) 4.060 0.983 ( -2.679 -3.449 0.026) 4.368 1.045 ( -1.241 -6.266 -0.621) 6.418 1.486 ( 3.220 5.391 -2.567) 6.784 1.510 ( 0.689 2.341 1.913) 3.101 1.632 ( 1.046 4.965 -1.872) 5.409 1.701 ( 0.993 -1.432 -2.908) 3.390 1.746 ( -1.884 6.568 2.855) 7.405 1.853 ( -1.213 -0.136 2.488) 2.771 1.987 ( -0.180 -2.653 0.802) 2.777 2.054 ( -0.202 -5.360 -0.501) 5.387 2.291 ( 0.990 4.319 -0.167) 4.435 2.341 ( -0.169 -1.360 0.762) 1.568 2.401 ( 0.936 4.830 -2.066) 5.336 2.449 ( 0.694 2.050 0.307) 2.186 2.493 ( 0.285 -0.848 -0.611) 1.083 2.513 ( -1.448 -4.035 -0.080) 4.288 2.609 ( 0.546 5.107 0.167) 5.139 2.706 ( 0.547 -2.925 -0.614) 3.038 2.921 ( 0.128 2.779 0.103) 2.784 2.979 ( -0.845 -1.892 1.310) 2.451 3.239 ( 0.909 0.527 0.372) 1.115 3.254 ( 1.133 -0.824 0.846) 1.636 3.333 ( -0.676 -0.422 -1.385) 1.598 3.341 ( -0.801 -1.056 1.341) 1.885 3.411 ( -0.453 1.742 -0.955) 2.037 3.443 ( -0.376 -1.226 -0.991) 1.620 3.502 ( -0.546 -0.093 -0.084) 0.560 3.530 ( -0.458 -2.682 -0.009) 2.721 3.950 ( -0.181 2.556 0.095) 2.564 3.999 ( -0.454 -1.901 0.099) 1.957 4.082 ( -1.640 1.358 0.661) 2.229 4.121 ( -1.308 -2.156 -0.182) 2.528 4.317 ( 0.730 3.965 0.329) 4.045 4.392 ( 0.612 -3.489 -0.455) 3.571 4.535 ( 0.669 -0.663 0.584) 1.108 4.560 ( 0.967 -3.328 -0.521) 3.504 4.970 ( 1.396 2.908 1.973) 3.782 5.015 ( 1.368 -1.264 -0.444) 1.915 5.194 ( 0.319 4.090 -0.969) 4.216 5.312 ( -1.247 -6.423 -0.312) 6.550======================= Grid point 118 (60/84) =======================q-point: (-0.17 0.45 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 132Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.838 ( -2.064 3.466 -0.006) 4.034 0.909 ( 1.393 6.782 -0.394) 6.935 0.921 ( -2.517 -4.481 0.082) 5.140 1.040 ( 0.548 -5.424 -0.354) 5.463 1.524 ( 0.416 4.836 2.130) 5.301 1.567 ( 2.125 4.503 -0.543) 5.009 1.596 ( -1.232 6.121 1.960) 6.544 1.669 ( -2.696 -0.223 3.138) 4.143 1.769 ( 2.325 4.251 -4.084) 6.337 1.879 ( 2.703 -1.330 -4.480) 5.399 1.979 ( -0.074 -2.466 0.856) 2.612 2.062 ( 0.645 -6.205 -2.448) 6.702 2.317 ( 0.903 4.673 0.182) 4.763 2.339 ( 0.469 0.620 1.267) 1.486 2.407 ( -0.379 1.229 -0.037) 1.287 2.460 ( 0.393 3.084 1.050) 3.282 2.470 ( -2.008 -3.212 -0.114) 3.790 2.495 ( -0.597 -0.107 0.552) 0.820 2.622 ( 0.560 5.179 0.300) 5.218 2.710 ( -0.154 -2.136 0.388) 2.177 2.926 ( 0.168 1.652 0.424) 1.714 2.968 ( -0.141 -1.558 -0.161) 1.573 3.254 ( 0.423 0.412 -0.398) 0.712 3.272 ( 0.354 -1.060 -0.202) 1.136 3.327 ( 0.136 -0.199 0.378) 0.449 3.335 ( 0.418 -0.701 0.893) 1.210 3.399 ( -0.339 1.218 -1.439) 1.915 3.431 ( -0.789 -1.421 -0.493) 1.699 3.491 ( -0.400 -1.123 0.039) 1.193 3.510 ( -1.294 -3.116 0.563) 3.420 3.948 ( 0.025 1.538 -0.020) 1.539 3.988 ( -0.474 -2.111 0.142) 2.168 4.046 ( -1.414 1.607 0.268) 2.158 4.093 ( -1.189 -2.674 -0.273) 2.939 4.338 ( 1.135 3.462 -0.387) 3.664 4.404 ( 0.369 -3.031 0.402) 3.079 4.550 ( 0.738 0.331 0.466) 0.933 4.574 ( 0.184 -2.068 -0.421) 2.118 4.996 ( 0.780 4.627 2.169) 5.170 5.056 ( 2.263 -0.935 -1.137) 2.700 5.204 ( 0.596 0.993 -0.446) 1.241 5.279 ( -1.658 -5.725 -0.402) 5.974======================= Grid point 154 (61/84) =======================q-point: ( 0.00 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.269 ( -0.000 0.000 -0.000) 0.000 0.442 ( 0.000 0.000 0.000) 0.000 0.548 ( 0.000 0.000 -0.000) 0.000 0.667 ( -0.000 0.000 0.000) 0.000 0.742 ( 0.000 0.000 -0.000) 0.000 0.928 ( -0.000 0.000 0.000) 0.000 1.277 ( 0.000 0.000 0.000) 0.000 1.325 ( 0.000 0.000 0.000) 0.000 1.350 ( 0.000 0.000 0.000) 0.000 1.424 ( -0.000 0.000 0.000) 0.000 1.615 ( -0.000 0.000 0.000) 0.000 1.624 ( 0.000 0.000 -0.000) 0.000 1.711 ( 0.000 0.000 0.000) 0.000 1.797 ( 0.000 0.000 0.000) 0.000 2.172 ( 0.000 0.000 0.000) 0.000 2.219 ( -0.000 0.000 0.000) 0.000 2.427 ( -0.000 0.000 0.000) 0.000 2.507 ( 0.000 0.000 0.000) 0.000 2.589 ( -0.000 0.000 -0.000) 0.000 2.590 ( 0.000 0.000 0.000) 0.000 3.127 ( 0.000 0.000 0.000) 0.000 3.286 ( -0.000 0.000 0.000) 0.000 3.320 ( 0.000 0.000 0.000) 0.000 3.353 ( 0.000 0.000 0.000) 0.000 3.398 ( 0.000 0.000 0.000) 0.000 3.552 ( 0.000 0.000 0.000) 0.000 3.663 ( 0.000 0.000 -0.000) 0.000 3.669 ( -0.000 0.000 0.000) 0.000 3.729 ( 0.000 0.000 0.000) 0.000 3.767 ( 0.000 0.000 0.000) 0.000 3.771 ( -0.000 0.000 0.000) 0.000 3.917 ( 0.000 0.000 0.000) 0.000 4.189 ( 0.000 0.000 0.000) 0.000 4.276 ( -0.000 0.000 0.000) 0.000 4.294 ( -0.000 0.000 -0.000) 0.000 4.300 ( 0.000 0.000 0.000) 0.000 4.504 ( 0.000 0.000 0.000) 0.000 4.672 ( 0.000 0.000 0.000) 0.000 5.099 ( 0.000 0.000 0.000) 0.000 5.183 ( 0.000 0.000 0.000) 0.000 5.599 ( -0.000 0.000 0.000) 0.000 5.695 ( 0.000 0.000 0.000) 0.000======================= Grid point 156 (62/84) =======================q-point: ( 0.17 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.365 ( 7.024 0.000 -7.277) 10.114 0.498 ( -1.963 0.000 12.971) 13.119 0.534 ( 6.605 0.000 2.598) 7.098 0.629 ( -6.993 0.000 18.090) 19.394 0.786 ( 8.324 0.000 -13.460) 15.826 0.904 ( -2.692 0.000 4.084) 4.891 1.334 ( -1.490 0.000 3.061) 3.405 1.350 ( 6.108 0.000 -7.180) 9.426 1.414 ( -0.951 0.000 0.314) 1.001 1.448 ( 8.725 0.000 -9.451) 12.863 1.542 ( -4.334 0.000 5.436) 6.952 1.668 ( 1.681 0.000 -5.735) 5.976 1.672 ( -2.469 0.000 0.709) 2.569 1.814 ( 1.095 0.000 -1.669) 1.996 2.171 ( -0.128 0.000 0.685) 0.697 2.224 ( 0.470 0.000 -0.326) 0.572 2.317 ( -6.673 0.000 10.515) 12.453 2.518 ( -2.840 0.000 -1.810) 3.368 2.578 ( -1.254 0.000 2.172) 2.508 2.606 ( 3.597 0.000 -3.247) 4.846 3.131 ( -0.130 0.000 -1.221) 1.227 3.287 ( 0.137 0.000 0.008) 0.137 3.297 ( 0.072 0.000 -2.115) 2.116 3.391 ( 1.859 0.000 0.186) 1.868 3.399 ( 0.101 0.000 -0.004) 0.101 3.539 ( -3.881 0.000 2.211) 4.467 3.549 ( -5.593 0.000 5.406) 7.779 3.683 ( 0.800 0.000 -4.046) 4.124 3.725 ( -2.809 0.000 -1.844) 3.360 3.729 ( 0.025 0.000 -0.008) 0.027 3.767 ( 0.005 0.000 0.006) 0.007 3.935 ( 0.344 0.000 1.700) 1.734 4.151 ( -10.211 0.000 -2.717) 10.566 4.188 ( -0.064 0.000 -0.000) 0.064 4.256 ( -3.727 0.000 5.603) 6.730 4.275 ( -0.048 0.000 0.000) 0.048 4.506 ( 0.247 0.000 1.655) 1.674 4.609 ( -3.244 0.000 6.977) 7.694 5.065 ( 4.850 0.000 0.618) 4.889 5.329 ( 2.921 0.000 3.234) 4.358 5.611 ( -4.540 0.000 0.683) 4.591 5.728 ( 7.824 0.000 -5.694) 9.677======================= Grid point 158 (63/84) =======================q-point: ( 0.33 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.389 ( -6.682 0.000 18.494) 19.664 0.487 ( 0.463 0.000 7.740) 7.754 0.563 ( 5.885 0.000 -8.134) 10.039 0.725 ( 6.925 0.000 1.523) 7.090 0.823 ( -4.326 0.000 6.663) 7.945 0.968 ( 8.546 0.000 -12.072) 14.791 1.287 ( -3.123 0.000 6.833) 7.513 1.389 ( -1.208 0.000 0.188) 1.222 1.449 ( -3.932 0.000 2.690) 4.764 1.486 ( 5.041 0.000 -6.254) 8.033 1.535 ( 0.064 0.000 1.538) 1.540 1.693 ( 0.736 0.000 -3.415) 3.494 1.708 ( 5.007 0.000 -5.769) 7.639 1.840 ( 1.977 0.000 -6.128) 6.439 2.169 ( -0.044 0.000 0.581) 0.582 2.184 ( -5.741 0.000 11.872) 13.188 2.234 ( 0.391 0.000 -0.234) 0.455 2.473 ( -1.308 0.000 -0.478) 1.393 2.558 ( -0.272 0.000 1.490) 1.515 2.661 ( 1.471 0.000 -1.803) 2.327 3.132 ( 0.725 0.000 -1.295) 1.484 3.290 ( 0.135 0.000 0.008) 0.135 3.329 ( 2.227 0.000 -2.971) 3.713 3.363 ( -6.451 0.000 5.526) 8.494 3.402 ( 0.100 0.000 -0.004) 0.100 3.427 ( -0.196 0.000 1.052) 1.070 3.512 ( -2.191 0.000 -0.522) 2.252 3.659 ( -2.529 0.000 -1.284) 2.836 3.711 ( 1.649 0.000 -3.782) 4.126 3.729 ( 0.026 0.000 -0.008) 0.027 3.767 ( 0.005 0.000 0.006) 0.008 3.892 ( -3.985 0.000 1.241) 4.174 4.029 ( -1.038 0.000 -3.248) 3.410 4.177 ( -3.230 0.000 7.181) 7.874 4.187 ( -0.064 0.000 -0.000) 0.064 4.274 ( -0.049 0.000 0.001) 0.049 4.507 ( -0.130 0.000 2.220) 2.224 4.576 ( -0.473 0.000 2.134) 2.186 5.199 ( 6.181 0.000 -2.763) 6.771 5.340 ( -0.665 0.000 6.368) 6.403 5.504 ( -4.648 0.000 -2.295) 5.183 5.873 ( 4.816 0.000 -3.089) 5.722======================= Grid point 160 (64/84) =======================q-point: (-0.50 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 42Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.298 ( 0.000 0.000 0.000) 0.000 0.496 ( 0.000 0.000 0.000) 0.000 0.669 ( -0.000 0.000 0.000) 0.000 0.726 ( 0.000 0.000 -0.000) 0.000 0.819 ( 0.000 0.000 0.000) 0.000 1.094 ( 0.000 0.000 0.000) 0.000 1.222 ( 0.000 0.000 -0.000) 0.000 1.374 ( 0.000 0.000 0.000) 0.000 1.405 ( 0.000 0.000 0.000) 0.000 1.498 ( 0.000 0.000 0.000) 0.000 1.580 ( 0.000 0.000 0.000) 0.000 1.701 ( 0.000 0.000 0.000) 0.000 1.750 ( 0.000 0.000 0.000) 0.000 1.890 ( 0.000 0.000 -0.000) 0.000 2.107 ( -0.000 0.000 0.000) 0.000 2.168 ( 0.000 0.000 0.000) 0.000 2.239 ( 0.000 0.000 0.000) 0.000 2.459 ( 0.000 0.000 0.000) 0.000 2.559 ( 0.000 0.000 0.000) 0.000 2.675 ( 0.000 0.000 0.000) 0.000 3.151 ( 0.000 0.000 -0.000) 0.000 3.274 ( 0.000 0.000 0.000) 0.000 3.292 ( 0.000 0.000 0.000) 0.000 3.361 ( 0.000 0.000 0.000) 0.000 3.403 ( 0.000 0.000 0.000) 0.000 3.428 ( 0.000 0.000 -0.000) 0.000 3.476 ( 0.000 0.000 0.000) 0.000 3.635 ( 0.000 0.000 -0.000) 0.000 3.730 ( 0.000 0.000 0.000) 0.000 3.738 ( 0.000 0.000 0.000) 0.000 3.767 ( 0.000 0.000 0.000) 0.000 3.839 ( 0.000 0.000 0.000) 0.000 4.027 ( 0.000 0.000 0.000) 0.000 4.140 ( 0.000 0.000 0.000) 0.000 4.186 ( 0.000 0.000 0.000) 0.000 4.274 ( 0.000 0.000 0.000) 0.000 4.505 ( 0.000 0.000 0.000) 0.000 4.573 ( 0.000 0.000 0.000) 0.000 5.281 ( 0.000 0.000 -0.000) 0.000 5.323 ( -0.000 0.000 0.000) 0.000 5.446 ( 0.000 0.000 0.000) 0.000 5.923 ( 0.000 0.000 0.000) 0.000======================= Grid point 168 (65/84) =======================q-point: ( 0.00 0.09 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 78Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.361 ( -0.000 7.511 -0.000) 7.511 0.475 ( -0.000 4.078 0.000) 4.078 0.591 ( -0.000 1.793 0.000) 1.793 0.645 ( -0.000 8.470 0.000) 8.470 1.004 ( -0.000 14.642 -0.000) 14.642 1.037 ( -0.000 5.180 0.000) 5.180 1.275 ( -0.000 4.851 -0.000) 4.851 1.320 ( -0.000 0.918 0.000) 0.918 1.399 ( 0.000 3.817 0.000) 3.817 1.462 ( 0.000 1.555 0.000) 1.555 1.667 ( -0.000 3.206 0.000) 3.206 1.688 ( -0.000 6.197 -0.000) 6.197 1.792 ( -0.000 7.243 0.000) 7.243 1.848 ( -0.000 6.033 -0.000) 6.033 2.185 ( 0.000 1.523 0.000) 1.523 2.289 ( 0.000 5.340 0.000) 5.340 2.434 ( 0.000 0.636 0.000) 0.636 2.499 ( -0.000 -0.774 0.000) 0.774 2.525 ( 0.000 -4.196 -0.000) 4.196 2.563 ( 0.000 -2.212 0.000) 2.212 3.058 ( -0.000 -4.244 0.000) 4.244 3.238 ( -0.000 -5.737 0.000) 5.737 3.281 ( -0.000 -0.605 0.000) 0.605 3.379 ( 0.000 1.420 0.000) 1.420 3.388 ( -0.000 -1.147 0.000) 1.147 3.519 ( -0.000 -2.182 0.000) 2.182 3.616 ( 0.000 -3.482 -0.000) 3.482 3.632 ( 0.000 -0.829 0.000) 0.829 3.720 ( -0.000 -2.458 0.000) 2.458 3.823 ( 0.000 1.467 0.000) 1.467 3.860 ( -0.000 4.772 0.000) 4.772 3.915 ( 0.000 1.774 0.000) 1.774 4.111 ( 0.000 -4.033 0.000) 4.033 4.268 ( 0.000 0.469 0.000) 0.469 4.291 ( 0.000 -1.980 0.000) 1.980 4.384 ( 0.000 1.596 0.000) 1.596 4.550 ( 0.000 6.768 0.000) 6.768 4.794 ( -0.000 6.885 0.000) 6.885 5.080 ( 0.000 -1.362 0.000) 1.362 5.149 ( 0.000 -3.589 0.000) 3.589 5.557 ( 0.000 -3.392 0.000) 3.392 5.592 ( -0.000 -8.183 -0.000) 8.183======================= Grid point 170 (66/84) =======================q-point: ( 0.17 0.09 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 132Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.418 ( 5.586 4.155 -5.011) 8.578 0.490 ( 0.272 4.666 7.974) 9.243 0.596 ( 3.007 5.707 3.400) 7.292 0.740 ( 5.506 4.380 -6.414) 9.520 0.915 ( -5.933 15.002 13.083) 20.771 1.030 ( 0.175 6.971 -1.087) 7.058 1.284 ( 2.095 -2.460 0.795) 3.328 1.387 ( 0.959 3.774 0.157) 3.897 1.447 ( -0.288 0.903 -0.125) 0.956 1.489 ( 7.542 5.186 -10.174) 13.685 1.609 ( -2.215 5.543 2.627) 6.521 1.741 ( 0.638 5.827 -3.913) 7.048 1.771 ( 0.192 8.093 -2.464) 8.462 1.851 ( 0.349 5.307 -1.048) 5.420 2.187 ( 0.148 1.548 0.295) 1.583 2.285 ( -0.300 4.671 0.555) 4.714 2.323 ( -6.459 0.640 10.311) 12.183 2.501 ( -1.345 -1.181 -0.752) 1.942 2.555 ( -0.594 -1.831 1.371) 2.364 2.589 ( 3.974 -1.258 -4.344) 6.021 3.063 ( 0.598 -3.704 -1.110) 3.913 3.246 ( 0.909 -4.884 -2.244) 5.451 3.297 ( 1.036 -1.220 0.900) 1.836 3.374 ( -0.148 0.150 -0.022) 0.212 3.393 ( -0.004 -0.686 1.631) 1.769 3.504 ( -1.637 -2.755 1.646) 3.603 3.548 ( -5.300 0.716 3.629) 6.463 3.638 ( 0.094 -3.210 -5.803) 6.632 3.691 ( -1.977 -2.260 0.676) 3.077 3.816 ( -1.149 2.032 1.414) 2.729 3.837 ( -0.574 3.993 -1.226) 4.216 3.939 ( 0.947 2.247 -1.364) 2.794 4.057 ( -4.445 -3.423 -1.516) 5.811 4.240 ( -3.820 -1.040 3.466) 5.262 4.265 ( -0.194 1.193 -0.426) 1.281 4.351 ( -2.559 3.577 -1.658) 4.701 4.558 ( 0.549 5.683 1.161) 5.826 4.703 ( -7.360 8.425 5.915) 12.655 5.023 ( 4.431 -4.092 0.196) 6.034 5.291 ( 2.504 -3.452 2.938) 5.178 5.554 ( -2.855 -6.678 -2.262) 7.607 5.631 ( 6.301 -6.603 -0.977) 9.179======================= Grid point 172 (67/84) =======================q-point: ( 0.33 0.09 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 134Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.480 ( -1.063 10.264 6.946) 12.439 0.574 ( 8.293 2.636 -5.969) 10.553 0.677 ( 3.658 5.275 3.156) 7.153 0.802 ( -0.558 3.761 3.532) 5.189 0.824 ( -2.468 11.654 5.630) 13.176 1.078 ( 4.646 6.466 -8.223) 11.446 1.299 ( -1.158 -0.402 4.029) 4.211 1.399 ( 0.133 2.881 0.763) 2.983 1.431 ( -1.559 -0.908 3.346) 3.802 1.554 ( -0.015 5.420 -2.427) 5.938 1.624 ( 1.454 6.527 -0.962) 6.756 1.759 ( 2.871 5.963 -3.558) 7.514 1.814 ( 2.084 10.044 -5.640) 11.706 1.869 ( 2.110 3.608 -5.694) 7.063 2.184 ( -2.201 0.730 3.900) 4.537 2.200 ( -3.225 2.002 8.018) 8.872 2.280 ( -0.178 3.440 0.371) 3.464 2.478 ( -0.847 0.885 -0.282) 1.257 2.548 ( 0.213 -0.819 1.052) 1.350 2.644 ( 1.309 -1.491 -1.920) 2.761 3.092 ( 2.294 -2.374 -2.554) 4.174 3.271 ( 0.832 -4.837 -2.427) 5.476 3.291 ( -2.713 -1.781 4.608) 5.636 3.362 ( -1.945 -0.788 1.486) 2.571 3.382 ( 0.639 0.053 0.036) 0.643 3.447 ( -1.582 1.389 0.600) 2.189 3.478 ( -2.041 -2.509 -0.281) 3.247 3.622 ( -1.208 -2.588 -1.808) 3.380 3.675 ( 0.527 -1.764 -1.485) 2.365 3.790 ( -1.256 0.364 1.237) 1.800 3.831 ( -0.191 3.001 -0.453) 3.041 3.895 ( -3.994 2.328 -0.254) 4.630 4.021 ( 1.147 0.544 -5.226) 5.378 4.162 ( -3.268 -1.008 5.440) 6.426 4.263 ( 0.013 3.246 -0.401) 3.270 4.302 ( -1.707 3.550 0.171) 3.943 4.566 ( 0.210 4.918 1.885) 5.271 4.600 ( -2.536 3.944 2.828) 5.476 5.145 ( 5.495 -5.143 -3.031) 8.113 5.287 ( -1.364 -4.841 5.821) 7.693 5.487 ( -2.824 -1.384 -1.573) 3.517 5.759 ( 4.681 -10.036 -2.239) 11.298======================= Grid point 174 (68/84) =======================q-point: (-0.50 0.09 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 77Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.464 ( 0.000 13.395 0.000) 13.395 0.715 ( 0.000 2.735 0.000) 2.735 0.723 ( 0.000 3.107 -0.000) 3.107 0.746 ( 0.000 16.333 0.000) 16.333 0.793 ( 0.000 -0.133 0.000) 0.133 1.169 ( 0.000 5.048 -0.000) 5.048 1.252 ( -0.000 1.147 0.000) 1.147 1.394 ( -0.000 -0.129 0.000) 0.129 1.416 ( -0.000 3.673 0.000) 3.673 1.540 ( 0.000 4.093 -0.000) 4.093 1.653 ( 0.000 6.066 -0.000) 6.066 1.787 ( 0.000 5.032 -0.000) 5.032 1.831 ( 0.000 10.712 -0.000) 10.712 1.924 ( 0.000 3.565 -0.000) 3.565 2.119 ( -0.000 1.203 0.000) 1.203 2.192 ( -0.000 1.783 0.000) 1.783 2.278 ( -0.000 2.808 -0.000) 2.808 2.468 ( 0.000 1.486 -0.000) 1.486 2.554 ( 0.000 -0.517 0.000) 0.517 2.655 ( 0.000 -1.725 -0.000) 1.725 3.145 ( -0.000 -0.506 0.000) 0.506 3.205 ( 0.000 -3.136 -0.000) 3.136 3.288 ( 0.000 -5.236 0.000) 5.236 3.348 ( 0.000 0.990 0.000) 0.990 3.401 ( 0.000 -0.602 -0.000) 0.602 3.424 ( 0.000 0.200 0.000) 0.200 3.456 ( 0.000 -1.439 0.000) 1.439 3.609 ( 0.000 -2.158 -0.000) 2.158 3.689 ( -0.000 -1.660 0.000) 1.660 3.768 ( 0.000 -2.582 -0.000) 2.582 3.829 ( 0.000 3.196 0.000) 3.196 3.850 ( -0.000 3.633 -0.000) 3.633 4.042 ( 0.000 2.123 -0.000) 2.123 4.120 ( 0.000 -1.588 0.000) 1.588 4.264 ( 0.000 6.060 -0.000) 6.060 4.284 ( -0.000 0.702 0.000) 0.702 4.569 ( -0.000 5.590 -0.000) 5.590 4.576 ( 0.000 1.456 0.000) 1.456 5.216 ( 0.000 -6.166 -0.000) 6.166 5.262 ( -0.000 -5.540 0.000) 5.540 5.455 ( 0.000 0.828 0.000) 0.828 5.809 ( 0.000 -10.346 0.000) 10.346======================= Grid point 182 (69/84) =======================q-point: ( 0.00 0.18 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 78Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.527 ( -0.000 7.883 -0.000) 7.883 0.592 ( -0.000 6.139 0.000) 6.139 0.746 ( -0.000 11.744 0.000) 11.744 0.867 ( -0.000 12.325 0.000) 12.325 1.047 ( -0.000 -0.780 0.000) 0.780 1.157 ( -0.000 -0.299 0.000) 0.299 1.468 ( -0.000 -0.459 -0.000) 0.459 1.469 ( 0.000 9.278 0.000) 9.278 1.498 ( 0.000 8.980 -0.000) 8.980 1.519 ( -0.000 13.855 0.000) 13.855 1.710 ( -0.000 2.194 0.000) 2.194 1.855 ( -0.000 9.501 0.000) 9.501 1.982 ( -0.000 10.391 0.000) 10.391 2.034 ( -0.000 9.628 -0.000) 9.628 2.250 ( 0.000 4.972 0.000) 4.972 2.380 ( 0.000 2.524 0.000) 2.524 2.447 ( 0.000 0.047 0.000) 0.047 2.468 ( -0.000 -0.584 0.000) 0.584 2.473 ( 0.000 -2.028 -0.000) 2.028 2.528 ( -0.000 -0.220 0.000) 0.220 3.001 ( 0.000 -1.280 0.000) 1.280 3.123 ( 0.000 -5.244 0.000) 5.244 3.264 ( 0.000 -0.904 0.000) 0.904 3.352 ( -0.000 -2.078 0.000) 2.078 3.390 ( 0.000 -0.382 0.000) 0.382 3.475 ( -0.000 -2.088 0.000) 2.088 3.539 ( 0.000 -3.989 -0.000) 3.989 3.613 ( 0.000 -1.379 0.000) 1.379 3.655 ( -0.000 -3.534 0.000) 3.534 3.786 ( 0.000 -3.441 0.000) 3.441 3.920 ( -0.000 1.470 0.000) 1.470 4.002 ( 0.000 3.817 0.000) 3.817 4.061 ( 0.000 0.172 0.000) 0.172 4.219 ( 0.000 -4.510 0.000) 4.510 4.296 ( 0.000 2.256 0.000) 2.256 4.337 ( 0.000 -4.318 0.000) 4.318 4.713 ( 0.000 6.470 0.000) 6.470 4.828 ( -0.000 -3.255 0.000) 3.255 5.019 ( 0.000 -8.771 0.000) 8.771 5.064 ( 0.000 -0.535 0.000) 0.535 5.436 ( 0.000 -5.874 0.000) 5.874 5.492 ( -0.000 -2.532 -0.000) 2.532======================= Grid point 184 (70/84) =======================q-point: ( 0.17 0.18 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 132Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.521 ( 1.081 5.359 0.821) 5.528 0.635 ( 3.243 7.471 -3.603) 8.906 0.768 ( 2.107 10.455 0.320) 10.670 0.901 ( 2.260 10.896 -0.520) 11.140 1.073 ( 1.733 1.433 -1.344) 2.620 1.179 ( 1.465 1.236 1.920) 2.713 1.349 ( -4.805 12.139 8.678) 15.677 1.435 ( -1.940 0.546 2.511) 3.219 1.491 ( 0.265 4.634 1.753) 4.961 1.672 ( 6.019 9.750 -9.314) 14.766 1.701 ( -0.369 3.404 -1.408) 3.702 1.886 ( 2.816 9.469 -5.487) 11.300 1.960 ( -1.581 9.725 1.870) 10.029 2.044 ( 1.044 10.063 -3.334) 10.652 2.244 ( -0.682 4.594 2.067) 5.084 2.343 ( -5.272 1.380 8.986) 10.509 2.359 ( -1.565 1.619 0.453) 2.297 2.486 ( 1.590 -0.287 0.005) 1.616 2.529 ( 0.629 -0.104 -0.316) 0.712 2.565 ( 3.356 -0.836 -4.131) 5.388 3.014 ( 1.301 -1.201 -2.601) 3.147 3.131 ( 0.738 -5.549 -0.622) 5.633 3.268 ( 0.219 -1.322 2.957) 3.247 3.345 ( -0.783 -2.152 1.303) 2.635 3.390 ( -0.043 -0.484 0.027) 0.486 3.449 ( -1.600 -2.459 1.817) 3.450 3.554 ( -1.681 -0.847 2.136) 2.847 3.564 ( -1.892 -3.486 -6.857) 7.922 3.638 ( -1.038 -2.767 0.832) 3.070 3.781 ( -0.877 -3.680 0.832) 3.874 3.891 ( -2.186 1.008 1.478) 2.825 4.017 ( 0.235 0.459 -3.590) 3.627 4.029 ( -1.670 4.140 -0.053) 4.464 4.192 ( -2.251 -3.257 1.598) 4.270 4.297 ( 0.060 2.366 0.893) 2.529 4.335 ( -0.123 -3.440 -1.812) 3.889 4.704 ( -0.462 6.198 0.305) 6.223 4.860 ( -5.387 4.319 2.186) 7.242 4.903 ( 3.272 -7.175 -0.411) 7.897 5.202 ( 4.001 -4.988 1.359) 6.538 5.347 ( -2.474 -9.697 -2.996) 10.446 5.541 ( 1.512 -3.071 2.016) 3.973======================= Grid point 186 (71/84) =======================q-point: ( 0.33 0.18 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 134Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.599 ( 5.619 0.113 -1.198) 5.747 0.706 ( 3.366 8.429 -3.892) 9.876 0.813 ( 0.905 10.892 0.406) 10.937 0.921 ( -0.263 8.905 4.698) 10.071 1.111 ( 1.957 6.661 -3.389) 7.725 1.180 ( -0.682 5.562 2.046) 5.965 1.309 ( -1.206 3.575 3.204) 4.950 1.407 ( -0.362 0.278 3.626) 3.654 1.494 ( 0.644 4.903 0.399) 4.962 1.689 ( -1.180 6.780 -1.678) 7.084 1.750 ( 2.209 5.300 -3.217) 6.581 1.928 ( -0.659 8.541 1.380) 8.676 1.977 ( 4.495 8.480 -9.440) 13.462 2.077 ( 1.823 10.971 -4.097) 11.852 2.210 ( -2.771 3.367 5.369) 6.916 2.256 ( -2.620 3.287 7.215) 8.350 2.329 ( -1.155 1.109 0.250) 1.621 2.518 ( 1.327 0.897 0.069) 1.603 2.539 ( 0.287 1.887 0.128) 1.913 2.610 ( 0.996 -1.656 -1.840) 2.668 3.059 ( 3.091 -0.910 -4.478) 5.516 3.151 ( 0.976 -6.159 -0.889) 6.299 3.245 ( -3.369 -2.192 7.070) 8.133 3.328 ( -0.285 -1.641 0.131) 1.670 3.390 ( 0.164 -0.755 0.055) 0.775 3.426 ( -0.578 -1.682 0.448) 1.834 3.466 ( -3.279 -0.113 -1.875) 3.779 3.564 ( -0.482 -2.916 -1.223) 3.198 3.631 ( 0.580 -2.440 -1.500) 2.923 3.738 ( -3.007 -3.911 2.515) 5.537 3.854 ( -1.060 -0.228 0.177) 1.099 3.972 ( -1.875 3.967 -0.572) 4.425 4.051 ( 1.586 1.915 -4.035) 4.739 4.138 ( -2.632 -1.322 3.115) 4.287 4.300 ( 0.212 1.798 0.610) 1.911 4.332 ( -0.167 -1.526 -1.564) 2.192 4.698 ( -0.213 5.996 0.246) 6.005 4.743 ( -4.129 8.060 2.097) 9.296 4.999 ( 3.843 -8.424 -2.397) 9.565 5.163 ( -3.633 -6.257 4.096) 8.314 5.415 ( 4.928 -8.372 -1.853) 9.890 5.551 ( -0.322 -6.045 0.123) 6.054======================= Grid point 188 (72/84) =======================q-point: (-0.50 0.18 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 77Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.683 ( 0.000 -3.290 0.000) 3.290 0.769 ( -0.000 4.002 0.000) 4.002 0.782 ( 0.000 15.979 -0.000) 15.979 0.922 ( 0.000 9.069 0.000) 9.069 1.115 ( 0.000 15.284 0.000) 15.284 1.224 ( 0.000 -3.324 -0.000) 3.324 1.248 ( -0.000 3.124 0.000) 3.124 1.412 ( 0.000 1.914 0.000) 1.914 1.511 ( -0.000 4.922 0.000) 4.922 1.664 ( 0.000 7.361 -0.000) 7.361 1.780 ( 0.000 5.412 0.000) 5.412 1.918 ( 0.000 6.675 0.000) 6.675 2.040 ( 0.000 6.888 -0.000) 6.888 2.101 ( 0.000 12.206 -0.000) 12.206 2.166 ( -0.000 4.846 0.000) 4.846 2.228 ( -0.000 2.053 0.000) 2.053 2.316 ( 0.000 1.074 0.000) 1.074 2.537 ( -0.000 4.630 -0.000) 4.630 2.538 ( 0.000 -0.889 0.000) 0.889 2.618 ( 0.000 -1.764 -0.000) 1.764 3.136 ( -0.000 -0.203 0.000) 0.203 3.154 ( 0.000 -1.924 -0.000) 1.924 3.164 ( -0.000 -6.638 0.000) 6.638 3.328 ( 0.000 -1.393 -0.000) 1.393 3.396 ( 0.000 -2.280 0.000) 2.280 3.417 ( 0.000 0.667 0.000) 0.667 3.434 ( -0.000 -0.988 -0.000) 0.988 3.556 ( 0.000 -2.760 0.000) 2.760 3.651 ( -0.000 -1.999 0.000) 1.999 3.688 ( 0.000 -4.271 -0.000) 4.271 3.844 ( -0.000 -0.638 0.000) 0.638 3.952 ( -0.000 5.030 -0.000) 5.030 4.086 ( 0.000 1.288 -0.000) 1.288 4.091 ( -0.000 -0.828 0.000) 0.828 4.303 ( 0.000 1.299 0.000) 1.299 4.330 ( -0.000 -0.435 -0.000) 0.435 4.696 ( -0.000 5.718 0.000) 5.718 4.698 ( 0.000 9.383 -0.000) 9.383 5.044 ( 0.000 -9.817 0.000) 9.817 5.119 ( -0.000 -7.622 0.000) 7.622 5.477 ( -0.000 1.091 0.000) 1.091 5.541 ( 0.000 -14.389 0.000) 14.389======================= Grid point 196 (73/84) =======================q-point: ( 0.00 0.27 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 78Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.676 ( 0.000 6.491 -0.000) 6.491 0.694 ( -0.000 3.511 0.000) 3.511 1.008 ( -0.000 9.837 0.000) 9.837 1.067 ( 0.000 2.717 0.000) 2.717 1.117 ( 0.000 0.505 0.000) 0.505 1.133 ( 0.000 12.925 0.000) 12.925 1.451 ( -0.000 -0.741 0.000) 0.741 1.575 ( -0.000 4.401 -0.000) 4.401 1.671 ( 0.000 3.152 -0.000) 3.152 1.739 ( 0.000 6.912 -0.000) 6.912 1.869 ( 0.000 12.992 0.000) 12.992 2.074 ( 0.000 10.422 0.000) 10.422 2.172 ( -0.000 3.399 0.000) 3.399 2.184 ( 0.000 8.221 -0.000) 8.221 2.345 ( 0.000 2.223 -0.000) 2.223 2.383 ( -0.000 -1.022 0.000) 1.022 2.444 ( 0.000 0.138 -0.000) 0.138 2.445 ( -0.000 0.133 0.000) 0.133 2.519 ( 0.000 5.920 0.000) 5.920 2.543 ( 0.000 0.650 0.000) 0.650 2.993 ( -0.000 0.056 -0.000) 0.056 3.025 ( -0.000 -4.187 0.000) 4.187 3.249 ( 0.000 -0.336 0.000) 0.336 3.308 ( 0.000 -2.133 0.000) 2.133 3.369 ( -0.000 -1.434 0.000) 1.434 3.434 ( 0.000 -1.870 0.000) 1.870 3.458 ( -0.000 -3.592 -0.000) 3.592 3.561 ( -0.000 -3.750 0.000) 3.750 3.589 ( 0.000 -2.759 0.000) 2.759 3.700 ( -0.000 -4.872 0.000) 4.872 3.935 ( 0.000 0.238 0.000) 0.238 4.009 ( -0.000 -0.700 0.000) 0.700 4.122 ( -0.000 -3.953 0.000) 3.953 4.150 ( -0.000 5.224 0.000) 5.224 4.236 ( -0.000 -4.881 0.000) 4.881 4.365 ( 0.000 4.145 0.000) 4.145 4.723 ( 0.000 -5.788 0.000) 5.788 4.738 ( -0.000 -6.379 0.000) 6.379 4.886 ( -0.000 -0.105 0.000) 0.105 5.044 ( -0.000 -1.033 0.000) 1.033 5.344 ( 0.000 -3.623 0.000) 3.623 5.443 ( -0.000 -2.703 0.000) 2.703======================= Grid point 198 (74/84) =======================q-point: ( 0.17 0.27 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 132Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.622 ( -2.448 4.405 2.453) 5.605 0.766 ( 4.153 4.928 -5.400) 8.408 0.984 ( 0.066 8.065 0.528) 8.082 1.101 ( 0.702 4.247 -1.450) 4.543 1.146 ( 4.818 0.048 -1.282) 4.985 1.177 ( 1.498 11.795 1.442) 11.977 1.422 ( -2.286 0.559 2.508) 3.439 1.581 ( 0.253 4.214 1.556) 4.499 1.612 ( -3.868 7.171 3.725) 8.959 1.762 ( 1.780 4.422 -3.576) 5.959 1.875 ( 0.003 9.821 -1.651) 9.959 2.095 ( 0.685 6.964 -1.599) 7.178 2.144 ( -1.553 8.783 2.031) 9.147 2.174 ( -0.385 2.883 -1.148) 3.127 2.355 ( 0.143 2.925 -3.224) 4.355 2.376 ( -2.474 1.332 4.598) 5.389 2.393 ( 0.602 4.150 1.839) 4.579 2.506 ( 0.782 3.011 -0.344) 3.130 2.515 ( 2.039 -1.118 -1.966) 3.045 2.576 ( 1.919 1.451 -0.090) 2.408 2.992 ( 0.280 -2.060 -0.736) 2.205 3.036 ( 0.912 -2.745 -1.734) 3.372 3.248 ( -0.411 -0.521 4.236) 4.287 3.303 ( -0.510 -1.815 0.189) 1.894 3.366 ( -0.377 -1.603 0.445) 1.705 3.407 ( -0.962 -1.642 1.146) 2.221 3.481 ( 0.456 -3.707 -5.594) 6.726 3.526 ( -2.503 -2.448 0.341) 3.518 3.580 ( -0.538 -2.764 0.416) 2.847 3.691 ( -1.004 -4.750 1.126) 4.983 3.897 ( -2.608 0.167 1.795) 3.171 4.018 ( 0.293 0.221 -2.156) 2.187 4.120 ( -0.256 -3.032 0.526) 3.088 4.136 ( -1.136 4.660 0.662) 4.842 4.253 ( 1.426 -3.848 -2.718) 4.922 4.363 ( -0.311 3.807 1.328) 4.044 4.740 ( 0.323 -6.567 0.038) 6.575 4.749 ( 1.780 -5.165 1.582) 5.688 4.883 ( -0.092 1.229 -0.129) 1.239 5.091 ( 4.226 -4.352 -1.415) 6.229 5.242 ( -7.352 -1.918 -0.287) 7.603 5.481 ( 1.646 -3.153 1.145) 3.736======================= Grid point 200 (75/84) =======================q-point: ( 0.33 0.27 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 134Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.603 ( 0.848 1.039 0.777) 1.550 0.836 ( 2.201 4.826 -5.407) 7.575 1.025 ( 2.922 5.491 0.746) 6.265 1.136 ( 2.291 1.695 -2.150) 3.570 1.164 ( -1.817 14.286 3.293) 14.773 1.240 ( 3.230 0.705 -0.821) 3.406 1.373 ( -2.386 2.017 3.138) 4.428 1.540 ( -2.659 8.066 2.992) 9.005 1.589 ( 0.863 4.443 0.027) 4.526 1.814 ( 2.425 5.119 -4.701) 7.361 1.862 ( -0.693 6.601 -0.929) 6.702 2.052 ( -3.006 2.812 4.046) 5.772 2.140 ( -0.387 4.120 -0.844) 4.223 2.190 ( 1.691 4.807 -3.586) 6.231 2.333 ( -1.014 5.324 3.908) 6.682 2.349 ( -0.988 1.979 -1.057) 2.451 2.406 ( 0.483 10.123 0.543) 10.149 2.520 ( 0.645 0.798 0.318) 1.074 2.557 ( 1.436 -2.757 -1.333) 3.382 2.608 ( 1.062 2.035 0.051) 2.296 3.009 ( 1.117 -5.252 -1.414) 5.553 3.065 ( 2.128 -0.819 -2.761) 3.581 3.213 ( -3.013 -0.571 6.481) 7.170 3.298 ( 0.164 -1.341 -0.013) 1.351 3.354 ( -0.612 -2.175 0.093) 2.261 3.404 ( 0.351 -0.846 0.218) 0.942 3.444 ( -2.449 -1.710 -3.200) 4.378 3.506 ( -0.174 -2.599 -0.578) 2.668 3.578 ( 0.565 -2.567 -0.961) 2.798 3.655 ( -2.298 -3.848 2.204) 4.995 3.852 ( -1.408 0.549 0.623) 1.634 4.018 ( -0.123 0.673 -1.527) 1.673 4.108 ( -0.891 -0.616 0.991) 1.469 4.117 ( -0.477 3.132 0.000) 3.168 4.286 ( 1.411 -2.032 -3.175) 4.025 4.350 ( -0.838 2.705 2.295) 3.645 4.748 ( 0.528 -3.522 -0.409) 3.585 4.781 ( 1.065 -5.919 1.420) 6.179 4.890 ( 0.791 1.284 -0.991) 1.805 5.083 ( -6.845 -0.719 1.462) 7.036 5.200 ( 5.158 -9.248 -1.195) 10.656 5.494 ( -0.250 -2.019 0.450) 2.083======================= Grid point 202 (76/84) =======================q-point: (-0.50 0.27 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 77Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.624 ( 0.000 -1.336 0.000) 1.336 0.857 ( 0.000 3.926 0.000) 3.926 1.061 ( 0.000 2.730 -0.000) 2.730 1.129 ( 0.000 14.684 0.000) 14.684 1.188 ( -0.000 3.971 0.000) 3.971 1.263 ( 0.000 1.417 -0.000) 1.417 1.340 ( 0.000 3.080 0.000) 3.080 1.512 ( 0.000 7.289 0.000) 7.289 1.605 ( 0.000 4.180 -0.000) 4.180 1.825 ( -0.000 8.209 0.000) 8.209 1.873 ( 0.000 3.841 0.000) 3.841 2.012 ( 0.000 1.837 -0.000) 1.837 2.134 ( 0.000 2.028 0.000) 2.028 2.210 ( -0.000 3.468 0.000) 3.468 2.324 ( 0.000 6.943 0.000) 6.943 2.335 ( -0.000 2.895 -0.000) 2.895 2.412 ( 0.000 11.193 -0.000) 11.193 2.526 ( 0.000 -0.182 -0.000) 0.182 2.573 ( 0.000 -2.971 0.000) 2.971 2.619 ( 0.000 2.705 0.000) 2.705 3.023 ( 0.000 -6.685 -0.000) 6.685 3.120 ( 0.000 -1.543 -0.000) 1.543 3.146 ( -0.000 1.428 0.000) 1.428 3.301 ( 0.000 -1.341 0.000) 1.341 3.346 ( 0.000 -2.474 -0.000) 2.474 3.412 ( -0.000 -0.982 -0.000) 0.982 3.414 ( 0.000 -0.725 0.000) 0.725 3.504 ( 0.000 -2.247 0.000) 2.247 3.607 ( -0.000 -2.332 0.000) 2.332 3.607 ( 0.000 -3.385 -0.000) 3.385 3.838 ( 0.000 0.605 0.000) 0.605 4.017 ( 0.000 0.842 -0.000) 0.842 4.097 ( -0.000 0.048 0.000) 0.048 4.112 ( 0.000 2.864 -0.000) 2.864 4.303 ( 0.000 -1.058 -0.000) 1.058 4.338 ( 0.000 1.848 0.000) 1.848 4.756 ( 0.000 -1.438 -0.000) 1.438 4.795 ( 0.000 -7.122 0.000) 7.122 4.906 ( 0.000 2.940 0.000) 2.940 4.995 ( 0.000 -2.524 0.000) 2.524 5.264 ( 0.000 -11.418 0.000) 11.418 5.486 ( -0.000 -0.616 0.000) 0.616======================= Grid point 210 (77/84) =======================q-point: ( 0.00 0.36 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 78Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.751 ( 0.000 2.569 -0.000) 2.569 0.800 ( -0.000 5.779 0.000) 5.779 0.982 ( -0.000 -4.583 0.000) 4.583 1.106 ( 0.000 -0.250 0.000) 0.250 1.349 ( 0.000 14.028 -0.000) 14.028 1.392 ( 0.000 11.618 0.000) 11.618 1.467 ( 0.000 3.045 0.000) 3.045 1.650 ( -0.000 2.490 0.000) 2.490 1.714 ( 0.000 1.544 0.000) 1.544 1.830 ( 0.000 2.634 -0.000) 2.634 2.099 ( 0.000 5.400 0.000) 5.400 2.133 ( 0.000 -5.014 0.000) 5.014 2.195 ( 0.000 2.037 0.000) 2.037 2.341 ( -0.000 7.297 0.000) 7.297 2.364 ( 0.000 0.122 -0.000) 0.122 2.420 ( 0.000 2.756 0.000) 2.756 2.453 ( 0.000 1.409 -0.000) 1.409 2.472 ( -0.000 1.898 0.000) 1.898 2.543 ( 0.000 0.690 0.000) 0.690 2.657 ( -0.000 5.696 0.000) 5.696 2.955 ( -0.000 -2.492 -0.000) 2.492 2.988 ( -0.000 -0.702 0.000) 0.702 3.252 ( 0.000 0.472 0.000) 0.472 3.269 ( 0.000 -1.495 0.000) 1.495 3.343 ( -0.000 -0.862 0.000) 0.862 3.398 ( -0.000 -1.614 0.000) 1.614 3.399 ( 0.000 -1.892 -0.000) 1.892 3.477 ( 0.000 -4.034 0.000) 4.034 3.533 ( 0.000 -2.626 0.000) 2.626 3.590 ( 0.000 -5.432 0.000) 5.432 3.937 ( -0.000 0.147 0.000) 0.147 4.002 ( -0.000 0.149 0.000) 0.149 4.048 ( 0.000 -2.906 0.000) 2.906 4.145 ( -0.000 -3.872 0.000) 3.872 4.260 ( -0.000 4.893 0.000) 4.893 4.439 ( 0.000 1.698 0.000) 1.698 4.595 ( 0.000 -4.620 0.000) 4.620 4.618 ( -0.000 -3.914 0.000) 3.914 4.936 ( -0.000 3.733 0.000) 3.733 5.038 ( -0.000 0.632 0.000) 0.632 5.272 ( -0.000 -3.491 0.000) 3.491 5.366 ( 0.000 -4.789 0.000) 4.789======================= Grid point 212 (78/84) =======================q-point: ( 0.17 0.36 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 132Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.719 ( -2.674 5.373 1.677) 6.232 0.843 ( 3.575 2.950 -3.668) 5.911 0.998 ( 1.177 -3.345 1.270) 3.766 1.118 ( 1.370 -1.665 -0.515) 2.217 1.301 ( -1.518 10.865 1.771) 11.113 1.454 ( 1.639 12.325 -2.797) 12.744 1.462 ( 0.357 4.555 0.801) 4.639 1.650 ( 0.079 2.381 2.086) 3.167 1.682 ( -2.468 1.332 0.644) 2.878 1.842 ( 1.400 2.703 -3.917) 4.961 2.076 ( -1.948 5.839 2.226) 6.546 2.108 ( -2.294 -2.654 2.277) 4.181 2.197 ( 0.151 1.217 -1.137) 1.672 2.313 ( -1.600 5.754 1.180) 6.088 2.386 ( -0.047 0.375 -1.939) 1.975 2.425 ( 1.757 0.252 -1.494) 2.320 2.453 ( 0.412 3.830 -0.664) 3.909 2.505 ( 1.783 1.726 -0.107) 2.484 2.549 ( 0.597 -0.295 1.237) 1.405 2.656 ( 0.026 5.437 0.635) 5.474 2.931 ( -1.319 -2.428 1.282) 3.046 3.010 ( 1.544 -0.968 -2.252) 2.897 3.247 ( -0.432 0.234 3.445) 3.480 3.273 ( -0.048 -1.044 -0.965) 1.422 3.336 ( -0.769 -1.008 0.441) 1.343 3.379 ( -0.168 -0.909 0.195) 0.944 3.417 ( 0.451 -2.355 -4.283) 4.908 3.467 ( -0.828 -2.877 0.591) 3.051 3.526 ( -0.277 -2.397 0.299) 2.431 3.592 ( -0.073 -4.718 1.177) 4.863 3.912 ( -1.572 1.372 0.776) 2.226 4.018 ( 0.374 -0.546 -0.514) 0.838 4.063 ( 1.479 -1.946 -0.138) 2.448 4.154 ( 0.690 -3.156 0.223) 3.238 4.258 ( 0.097 4.267 -2.064) 4.741 4.426 ( -1.257 1.189 1.832) 2.519 4.604 ( 0.637 -4.660 -0.953) 4.799 4.628 ( 0.886 -5.151 1.590) 5.463 4.940 ( 0.345 3.663 -0.381) 3.699 5.043 ( 0.511 -0.551 -1.448) 1.632 5.206 ( -4.882 -1.862 1.129) 5.345 5.399 ( 1.933 -4.913 0.033) 5.280======================= Grid point 214 (79/84) =======================q-point: ( 0.33 0.36 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 134Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.670 ( -1.349 5.820 0.991) 6.056 0.907 ( 1.660 2.187 -4.596) 5.354 1.018 ( 0.704 -2.473 3.187) 4.095 1.171 ( 3.366 -3.600 -0.440) 4.948 1.300 ( 1.002 7.143 -1.081) 7.294 1.439 ( -1.188 6.444 0.922) 6.617 1.466 ( -1.422 10.897 1.599) 11.105 1.623 ( -2.294 1.086 1.351) 2.875 1.675 ( 1.629 4.076 -1.463) 4.627 1.889 ( 2.810 2.357 -4.478) 5.788 2.031 ( -1.967 6.984 2.504) 7.675 2.049 ( -2.966 -1.205 2.093) 3.825 2.195 ( -0.390 3.070 0.345) 3.114 2.286 ( -0.793 3.512 -0.899) 3.711 2.381 ( -0.030 1.684 0.228) 1.699 2.439 ( -0.902 -0.388 -0.564) 1.132 2.481 ( 1.987 -0.265 -1.382) 2.435 2.529 ( 0.549 2.409 -0.205) 2.480 2.567 ( 0.898 0.263 1.112) 1.453 2.660 ( 0.267 4.204 0.488) 4.240 2.913 ( -0.475 -3.076 0.356) 3.133 3.050 ( 2.184 -1.241 -2.093) 3.270 3.224 ( -1.844 1.296 3.101) 3.833 3.270 ( 0.045 -1.302 0.619) 1.443 3.315 ( -1.005 -1.203 -0.557) 1.663 3.388 ( 0.513 -0.563 0.023) 0.762 3.415 ( -0.482 -0.836 -2.626) 2.798 3.457 ( 0.019 -2.193 -0.024) 2.193 3.530 ( 0.677 -2.021 -0.496) 2.188 3.581 ( -0.964 -3.352 1.556) 3.820 3.886 ( -0.785 2.706 0.298) 2.833 4.019 ( -0.065 -0.504 -0.094) 0.517 4.089 ( 0.771 -0.444 0.003) 0.889 4.162 ( -0.047 -0.404 0.657) 0.772 4.277 ( 1.711 1.847 -3.959) 4.691 4.391 ( -1.914 0.631 3.111) 3.707 4.615 ( 0.361 -5.768 -1.191) 5.900 4.647 ( 0.704 -6.475 1.949) 6.799 4.951 ( 0.797 3.331 -1.020) 3.573 5.054 ( -0.587 -3.437 -2.758) 4.445 5.109 ( -2.851 0.963 3.092) 4.315 5.430 ( 0.922 -4.464 -0.063) 4.558======================= Grid point 216 (80/84) =======================q-point: (-0.50 0.36 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 77Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.661 ( -0.000 5.240 -0.000) 5.240 0.917 ( 0.000 1.834 -0.000) 1.834 1.026 ( -0.000 -2.457 0.000) 2.457 1.221 ( 0.000 -5.386 0.000) 5.386 1.315 ( -0.000 6.788 0.000) 6.788 1.417 ( 0.000 5.064 0.000) 5.064 1.446 ( 0.000 12.972 -0.000) 12.972 1.595 ( 0.000 0.052 0.000) 0.052 1.698 ( -0.000 5.570 -0.000) 5.570 1.933 ( -0.000 2.183 0.000) 2.183 2.005 ( 0.000 -1.744 0.000) 1.744 2.008 ( -0.000 8.224 -0.000) 8.224 2.188 ( 0.000 4.234 -0.000) 4.234 2.279 ( 0.000 3.070 0.000) 3.070 2.383 ( 0.000 1.627 0.000) 1.627 2.424 ( -0.000 -0.916 -0.000) 0.916 2.503 ( -0.000 -1.430 0.000) 1.430 2.535 ( -0.000 1.544 0.000) 1.544 2.577 ( 0.000 1.919 -0.000) 1.919 2.664 ( 0.000 3.163 0.000) 3.163 2.908 ( 0.000 -3.463 -0.000) 3.463 3.082 ( 0.000 -2.352 -0.000) 2.352 3.194 ( -0.000 2.805 0.000) 2.805 3.273 ( -0.000 -1.279 -0.000) 1.279 3.302 ( 0.000 -1.274 0.000) 1.274 3.393 ( -0.000 -0.591 0.000) 0.591 3.409 ( 0.000 0.144 -0.000) 0.144 3.458 ( 0.000 -2.254 0.000) 2.254 3.551 ( 0.000 -2.118 0.000) 2.118 3.558 ( 0.000 -2.281 0.000) 2.281 3.878 ( 0.000 3.217 -0.000) 3.217 4.018 ( 0.000 -0.276 -0.000) 0.276 4.097 ( 0.000 0.117 0.000) 0.117 4.160 ( -0.000 0.835 0.000) 0.835 4.304 ( 0.000 1.100 -0.000) 1.100 4.364 ( -0.000 0.430 0.000) 0.430 4.618 ( 0.000 -7.343 0.000) 7.343 4.654 ( 0.000 -6.247 0.000) 6.247 4.969 ( -0.000 1.584 -0.000) 1.584 5.016 ( 0.000 1.808 0.000) 1.808 5.100 ( 0.000 -2.998 0.000) 2.998 5.439 ( -0.000 -4.055 0.000) 4.055======================= Grid point 224 (81/84) =======================q-point: ( 0.00 0.45 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 78Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.811 ( 0.000 3.343 0.000) 3.343 0.888 ( -0.000 -3.862 0.000) 3.862 0.924 ( 0.000 5.838 0.000) 5.838 1.044 ( 0.000 -5.101 0.000) 5.101 1.551 ( 0.000 5.101 0.000) 5.101 1.587 ( 0.000 5.797 -0.000) 5.797 1.604 ( -0.000 6.938 0.000) 6.938 1.666 ( -0.000 -0.520 0.000) 0.520 1.753 ( 0.000 4.015 0.000) 4.015 1.862 ( -0.000 -0.757 0.000) 0.757 1.993 ( -0.000 -5.202 0.000) 5.202 2.040 ( 0.000 -5.897 -0.000) 5.897 2.324 ( 0.000 6.247 0.000) 6.247 2.374 ( -0.000 1.624 -0.000) 1.624 2.404 ( -0.000 -1.309 0.000) 1.309 2.438 ( -0.000 -3.765 0.000) 3.765 2.476 ( -0.000 2.822 0.000) 2.822 2.491 ( 0.000 1.244 0.000) 1.244 2.633 ( 0.000 5.414 0.000) 5.414 2.710 ( -0.000 -1.120 0.000) 1.120 2.934 ( 0.000 0.739 0.000) 0.739 2.964 ( -0.000 -1.535 0.000) 1.535 3.253 ( 0.000 0.026 -0.000) 0.026 3.259 ( 0.000 -0.059 0.000) 0.059 3.340 ( -0.000 0.667 -0.000) 0.667 3.366 ( 0.000 -1.508 0.000) 1.508 3.383 ( -0.000 0.167 -0.000) 0.167 3.407 ( 0.000 -2.404 0.000) 2.404 3.489 ( 0.000 -1.303 0.000) 1.303 3.500 ( 0.000 -2.709 0.000) 2.709 3.949 ( -0.000 1.154 0.000) 1.154 3.985 ( -0.000 -2.075 0.000) 2.075 4.031 ( -0.000 1.496 -0.000) 1.496 4.077 ( 0.000 -2.764 0.000) 2.764 4.347 ( -0.000 3.575 0.000) 3.575 4.413 ( 0.000 -2.884 0.000) 2.884 4.564 ( 0.000 -0.081 0.000) 0.081 4.569 ( -0.000 -0.949 0.000) 0.949 5.032 ( 0.000 4.670 -0.000) 4.670 5.064 ( -0.000 1.232 0.000) 1.232 5.210 ( -0.000 -1.702 0.000) 1.702 5.254 ( 0.000 -5.376 0.000) 5.376======================= Grid point 226 (82/84) =======================q-point: ( 0.17 0.45 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 132Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.839 ( 1.560 5.382 -0.116) 5.604 0.909 ( 0.294 3.543 -0.423) 3.581 0.926 ( 2.317 -2.610 -0.357) 3.508 1.033 ( -0.910 -6.037 0.293) 6.112 1.502 ( -3.484 7.630 3.648) 9.147 1.550 ( -0.742 3.521 -0.057) 3.599 1.629 ( -2.383 1.250 2.519) 3.686 1.661 ( -0.093 -1.887 1.893) 2.674 1.768 ( 2.410 9.355 -4.505) 10.659 1.881 ( 1.643 0.638 -3.952) 4.327 2.000 ( 0.299 -4.155 -0.650) 4.216 2.049 ( 0.999 -6.223 -1.862) 6.572 2.310 ( -1.391 5.812 0.849) 6.036 2.359 ( -0.326 -0.301 -0.601) 0.747 2.395 ( -1.470 1.891 1.108) 2.639 2.461 ( 0.746 -2.272 0.637) 2.475 2.467 ( -0.013 1.018 0.600) 1.181 2.489 ( 0.068 -0.706 0.894) 1.141 2.624 ( -0.687 5.075 0.138) 5.123 2.703 ( -0.662 -1.616 1.025) 2.025 2.927 ( -0.349 2.091 0.163) 2.126 2.979 ( 1.127 -2.199 -0.927) 2.639 3.250 ( -0.130 0.104 0.900) 0.916 3.256 ( -0.412 -0.589 -0.050) 0.721 3.336 ( -0.401 1.152 -0.649) 1.382 3.370 ( 0.245 -1.220 -0.626) 1.393 3.388 ( 0.792 0.393 -1.479) 1.723 3.417 ( 0.488 -1.934 0.763) 2.135 3.489 ( 0.251 -0.843 0.315) 0.935 3.509 ( 0.676 -2.853 0.613) 2.995 3.950 ( 0.068 2.075 -0.151) 2.081 3.990 ( 0.441 -1.807 0.031) 1.860 4.052 ( 1.747 0.766 -0.256) 1.924 4.090 ( 1.199 -2.710 -0.058) 2.964 4.340 ( -0.568 3.357 -0.591) 3.455 4.400 ( -1.102 -2.635 0.799) 2.966 4.560 ( -0.344 -0.671 -0.347) 0.830 4.564 ( -0.605 -1.183 0.462) 1.407 5.016 ( -1.165 3.103 1.553) 3.661 5.051 ( -1.450 0.179 -1.897) 2.395 5.188 ( -1.042 1.597 0.935) 2.124 5.282 ( 1.724 -6.053 -0.571) 6.320======================= Grid point 228 (83/84) =======================q-point: ( 0.33 0.45 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 134Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.834 ( -1.057 9.334 0.496) 9.407 0.938 ( 0.995 0.976 -2.505) 2.867 0.973 ( 1.299 -1.668 1.455) 2.567 1.036 ( 1.998 -8.393 0.080) 8.628 1.450 ( -1.311 6.515 0.943) 6.712 1.536 ( -0.433 1.382 -0.571) 1.556 1.568 ( -2.689 0.895 3.021) 4.142 1.626 ( -2.476 -1.338 3.222) 4.278 1.837 ( 3.194 10.414 -4.554) 11.806 1.923 ( 2.100 1.039 -3.249) 4.006 1.996 ( -0.654 -1.509 -0.222) 1.659 2.075 ( 1.069 -5.049 -2.115) 5.577 2.286 ( -0.304 4.301 0.030) 4.312 2.347 ( -1.638 -0.958 0.762) 2.045 2.367 ( -0.468 3.056 0.793) 3.192 2.426 ( -2.085 0.794 2.068) 3.042 2.484 ( 0.313 -0.926 0.291) 1.020 2.511 ( 1.416 -4.081 -0.030) 4.319 2.610 ( -0.553 4.290 0.105) 4.327 2.686 ( -0.796 -2.378 1.139) 2.755 2.924 ( 0.055 3.694 -0.181) 3.699 3.004 ( 1.105 -3.269 -0.797) 3.541 3.243 ( -0.575 0.356 0.073) 0.680 3.251 ( 0.046 -0.524 1.296) 1.398 3.325 ( -0.540 2.193 -1.041) 2.487 3.374 ( 0.157 -1.683 -1.014) 1.971 3.406 ( 0.691 0.227 -1.104) 1.322 3.421 ( -0.043 -1.061 1.018) 1.471 3.502 ( 0.884 -0.428 -0.092) 0.986 3.521 ( 0.338 -2.218 0.808) 2.385 3.953 ( 0.202 3.234 -0.144) 3.243 4.000 ( 0.460 -1.343 -0.027) 1.420 4.090 ( 1.505 0.592 0.011) 1.617 4.122 ( 1.573 -2.410 -0.288) 2.892 4.331 ( -0.094 2.492 -1.202) 2.768 4.374 ( -1.190 -1.736 1.398) 2.526 4.542 ( -1.298 -1.447 0.304) 1.968 4.552 ( -0.352 -2.442 -0.129) 2.471 4.994 ( -0.902 0.794 1.358) 1.814 5.011 ( -1.835 -1.070 -1.443) 2.568 5.177 ( -0.130 5.669 0.422) 5.686 5.312 ( 1.061 -6.624 -0.337) 6.717======================= Grid point 230 (84/84) =======================q-point: (-0.50 0.45 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 4.65e-08 4.65e-08 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 77Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.823 ( -0.000 9.242 0.000) 9.242 0.935 ( 0.000 -0.419 -0.000) 0.419 0.992 ( 0.000 -0.538 0.000) 0.538 1.069 ( 0.000 -8.224 -0.000) 8.224 1.440 ( 0.000 5.443 0.000) 5.443 1.529 ( 0.000 4.958 0.000) 4.958 1.542 ( 0.000 -4.120 -0.000) 4.120 1.590 ( 0.000 0.563 0.000) 0.563 1.875 ( -0.000 10.136 0.000) 10.136 1.955 ( -0.000 -0.100 0.000) 0.100 1.981 ( 0.000 0.712 0.000) 0.712 2.085 ( -0.000 -3.124 -0.000) 3.124 2.295 ( 0.000 3.023 -0.000) 3.023 2.319 ( 0.000 0.163 -0.000) 0.163 2.359 ( 0.000 1.554 0.000) 1.554 2.402 ( 0.000 0.316 0.000) 0.316 2.487 ( 0.000 -0.844 0.000) 0.844 2.527 ( 0.000 -4.435 -0.000) 4.435 2.604 ( -0.000 3.868 0.000) 3.868 2.676 ( 0.000 -2.655 -0.000) 2.655 2.925 ( 0.000 4.246 0.000) 4.246 3.017 ( 0.000 -3.986 0.000) 3.986 3.236 ( 0.000 1.034 -0.000) 1.034 3.252 ( -0.000 -0.780 -0.000) 0.780 3.318 ( 0.000 2.735 0.000) 2.735 3.376 ( 0.000 -1.912 -0.000) 1.912 3.414 ( 0.000 0.183 -0.000) 0.183 3.419 ( -0.000 -0.885 0.000) 0.885 3.518 ( 0.000 -0.948 -0.000) 0.948 3.520 ( -0.000 -1.152 0.000) 1.152 3.955 ( -0.000 3.629 -0.000) 3.629 4.006 ( 0.000 -1.178 0.000) 1.178 4.107 ( 0.000 0.989 -0.000) 0.989 4.141 ( 0.000 -2.010 0.000) 2.010 4.333 ( 0.000 1.424 -0.000) 1.424 4.359 ( -0.000 -0.856 0.000) 0.856 4.524 ( 0.000 -1.539 -0.000) 1.539 4.548 ( 0.000 -3.520 0.000) 3.520 4.981 ( -0.000 0.061 -0.000) 0.061 4.992 ( 0.000 -1.422 0.000) 1.422 5.177 ( 0.000 6.864 -0.000) 6.864 5.324 ( -0.000 -6.788 0.000) 6.788=================== 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 3/11088 10.0 17.728 40.946 23.091 0.000 -12.951 0.000 3/11088 20.0 5.611 14.537 7.633 0.000 -4.109 0.000 3/11088 30.0 3.055 8.120 4.221 0.000 -2.236 0.000 3/11088 40.0 2.068 5.546 2.876 0.000 -1.509 0.000 3/11088 50.0 1.564 4.210 2.179 0.000 -1.135 0.000 3/11088 60.0 1.262 3.405 1.758 0.000 -0.910 0.000 3/11088 70.0 1.061 2.869 1.477 0.000 -0.761 0.000 3/11088 80.0 0.918 2.484 1.276 0.000 -0.655 0.000 3/11088 90.0 0.810 2.194 1.124 0.000 -0.575 0.000 3/11088 100.0 0.725 1.967 1.006 0.000 -0.514 0.000 3/11088 110.0 0.657 1.784 0.910 0.000 -0.464 0.000 3/11088 120.0 0.601 1.633 0.832 0.000 -0.423 0.000 3/11088 130.0 0.554 1.505 0.766 0.000 -0.389 0.000 3/11088 140.0 0.514 1.397 0.710 0.000 -0.361 0.000 3/11088 150.0 0.479 1.303 0.662 0.000 -0.336 0.000 3/11088 160.0 0.449 1.221 0.620 0.000 -0.314 0.000 3/11088 170.0 0.422 1.149 0.583 0.000 -0.295 0.000 3/11088 180.0 0.399 1.085 0.550 0.000 -0.279 0.000 3/11088 190.0 0.377 1.028 0.521 0.000 -0.264 0.000 3/11088 200.0 0.358 0.977 0.494 0.000 -0.250 0.000 3/11088 210.0 0.341 0.930 0.471 0.000 -0.238 0.000 3/11088 220.0 0.326 0.888 0.449 0.000 -0.227 0.000 3/11088 230.0 0.312 0.849 0.429 0.000 -0.217 0.000 3/11088 240.0 0.299 0.814 0.411 0.000 -0.208 0.000 3/11088 250.0 0.287 0.781 0.395 0.000 -0.200 0.000 3/11088 260.0 0.276 0.751 0.380 0.000 -0.192 0.000 3/11088 270.0 0.265 0.724 0.366 0.000 -0.185 0.000 3/11088 280.0 0.256 0.698 0.352 0.000 -0.178 0.000 3/11088 290.0 0.247 0.674 0.340 0.000 -0.172 0.000 3/11088 300.0 0.239 0.651 0.329 0.000 -0.166 0.000 3/11088 310.0 0.231 0.630 0.318 0.000 -0.161 0.000 3/11088 320.0 0.224 0.611 0.308 0.000 -0.156 0.000 3/11088 330.0 0.217 0.592 0.299 0.000 -0.151 0.000 3/11088 340.0 0.211 0.575 0.290 0.000 -0.146 0.000 3/11088 350.0 0.205 0.558 0.282 0.000 -0.142 0.000 3/11088 360.0 0.199 0.543 0.274 0.000 -0.138 0.000 3/11088 370.0 0.194 0.528 0.266 0.000 -0.134 0.000 3/11088 380.0 0.188 0.514 0.259 0.000 -0.131 0.000 3/11088 390.0 0.184 0.501 0.253 0.000 -0.128 0.000 3/11088 400.0 0.179 0.489 0.246 0.000 -0.124 0.000 3/11088 410.0 0.175 0.477 0.240 0.000 -0.121 0.000 3/11088 420.0 0.171 0.465 0.235 0.000 -0.118 0.000 3/11088 430.0 0.167 0.455 0.229 0.000 -0.116 0.000 3/11088 440.0 0.163 0.444 0.224 0.000 -0.113 0.000 3/11088 450.0 0.159 0.434 0.219 0.000 -0.111 0.000 3/11088 460.0 0.156 0.425 0.214 0.000 -0.108 0.000 3/11088 470.0 0.152 0.416 0.210 0.000 -0.106 0.000 3/11088 480.0 0.149 0.407 0.205 0.000 -0.104 0.000 3/11088 490.0 0.146 0.399 0.201 0.000 -0.101 0.000 3/11088 500.0 0.143 0.391 0.197 0.000 -0.099 0.000 3/11088 510.0 0.140 0.383 0.193 0.000 -0.097 0.000 3/11088 520.0 0.138 0.376 0.190 0.000 -0.096 0.000 3/11088 530.0 0.135 0.369 0.186 0.000 -0.094 0.000 3/11088 540.0 0.133 0.362 0.183 0.000 -0.092 0.000 3/11088 550.0 0.130 0.356 0.179 0.000 -0.090 0.000 3/11088 560.0 0.128 0.349 0.176 0.000 -0.089 0.000 3/11088 570.0 0.126 0.343 0.173 0.000 -0.087 0.000 3/11088 580.0 0.123 0.337 0.170 0.000 -0.086 0.000 3/11088 590.0 0.121 0.331 0.167 0.000 -0.084 0.000 3/11088 600.0 0.119 0.326 0.164 0.000 -0.083 0.000 3/11088 610.0 0.117 0.321 0.162 0.000 -0.081 0.000 3/11088 620.0 0.116 0.315 0.159 0.000 -0.080 0.000 3/11088 630.0 0.114 0.310 0.156 0.000 -0.079 0.000 3/11088 640.0 0.112 0.306 0.154 0.000 -0.078 0.000 3/11088 650.0 0.110 0.301 0.152 0.000 -0.076 0.000 3/11088 660.0 0.109 0.296 0.149 0.000 -0.075 0.000 3/11088 670.0 0.107 0.292 0.147 0.000 -0.074 0.000 3/11088 680.0 0.105 0.288 0.145 0.000 -0.073 0.000 3/11088 690.0 0.104 0.283 0.143 0.000 -0.072 0.000 3/11088 700.0 0.102 0.279 0.141 0.000 -0.071 0.000 3/11088 710.0 0.101 0.275 0.139 0.000 -0.070 0.000 3/11088 720.0 0.099 0.272 0.137 0.000 -0.069 0.000 3/11088 730.0 0.098 0.268 0.135 0.000 -0.068 0.000 3/11088 740.0 0.097 0.264 0.133 0.000 -0.067 0.000 3/11088 750.0 0.095 0.261 0.131 0.000 -0.066 0.000 3/11088 760.0 0.094 0.257 0.130 0.000 -0.065 0.000 3/11088 770.0 0.093 0.254 0.128 0.000 -0.065 0.000 3/11088 780.0 0.092 0.251 0.126 0.000 -0.064 0.000 3/11088 790.0 0.091 0.248 0.125 0.000 -0.063 0.000 3/11088 800.0 0.090 0.244 0.123 0.000 -0.062 0.000 3/11088 810.0 0.088 0.241 0.122 0.000 -0.061 0.000 3/11088 820.0 0.087 0.239 0.120 0.000 -0.061 0.000 3/11088 830.0 0.086 0.236 0.119 0.000 -0.060 0.000 3/11088 840.0 0.085 0.233 0.117 0.000 -0.059 0.000 3/11088 850.0 0.084 0.230 0.116 0.000 -0.058 0.000 3/11088 860.0 0.083 0.227 0.115 0.000 -0.058 0.000 3/11088 870.0 0.082 0.225 0.113 0.000 -0.057 0.000 3/11088 880.0 0.081 0.222 0.112 0.000 -0.056 0.000 3/11088 890.0 0.080 0.220 0.111 0.000 -0.056 0.000 3/11088 900.0 0.080 0.217 0.109 0.000 -0.055 0.000 3/11088 910.0 0.079 0.215 0.108 0.000 -0.055 0.000 3/11088 920.0 0.078 0.213 0.107 0.000 -0.054 0.000 3/11088 930.0 0.077 0.210 0.106 0.000 -0.053 0.000 3/11088 940.0 0.076 0.208 0.105 0.000 -0.053 0.000 3/11088 950.0 0.075 0.206 0.104 0.000 -0.052 0.000 3/11088 960.0 0.075 0.204 0.103 0.000 -0.052 0.000 3/11088 970.0 0.074 0.202 0.102 0.000 -0.051 0.000 3/11088 980.0 0.073 0.200 0.101 0.000 -0.051 0.000 3/11088 990.0 0.072 0.198 0.100 0.000 -0.050 0.000 3/11088 1000.0 0.072 0.196 0.099 0.000 -0.050 0.000 3/11088Thermal conductivity related properties were written into "kappa-m6114.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 23:58:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|