# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/864fe820-704e-4fd5-a225-0a6493e612f3/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 Na2Ti3Cl8 / R3m (160) / materials id 569978](https://mdr.nims.go.jp/datasets/c19b59e5-f26d-47e3-82d6-2ac3fde3d72c) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 18:46:34]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [1 1 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R3m (160)Number of symmetry operations in supercell: 18------------------------------ primitive cell ------------------------------Lattice vectors: a 3.409382890446869 1.968408129570000 6.757544616666659 b -3.409382890446862 1.968408129570000 6.757544616666659 c 0.000000000000003 -3.936816259140006 6.757544616666659Atomic positions (fractional): *1 Na 0.82684629242983 0.82684629242983 0.82684629242983 22.990 *2 Na 0.15959542795168 0.15959542795168 0.15959542795168 22.990 *3 Ti 0.47195851804059 0.05930039539522 0.47195851804059 47.867 4 Ti 0.05930039539522 0.47195851804059 0.47195851804059 47.867 5 Ti 0.47195851804059 0.47195851804059 0.05930039539522 47.867 *6 Cl 0.40031247738246 0.90003220167394 0.90003220167394 35.453 7 Cl 0.90003220167394 0.90003220167394 0.40031247738246 35.453 *8 Cl 0.09231141317432 0.58896247411555 0.09231141317432 35.453 9 Cl 0.90003220167394 0.40031247738246 0.90003220167394 35.453 *10 Cl 0.41911889280098 0.41911889280098 0.41911889280098 35.453 11 Cl 0.09231141317432 0.09231141317432 0.58896247411555 35.453 *12 Cl 0.60669373747993 0.60669373747993 0.60669373747993 35.453 13 Cl 0.58896247411555 0.09231141317432 0.09231141317432 35.453-------------------------------- unit cell ---------------------------------Lattice vectors: a 6.818765780893732 0.000000000000000 0.000000000000000 b -3.409382890446866 5.905224388710007 0.000000000000000 c 0.000000000000000 0.000000000000000 20.272633849999998Atomic positions (fractional): *1 Na 0.66666666666667 0.33333333333333 0.16017962576317 22.990 > 1 *2 Na 0.00000000000000 0.00000000000000 0.15959542795168 22.990 > 2 3 Na 0.33333333333333 0.66666666666667 0.49351295909650 22.990 > 1 4 Na 0.66666666666667 0.33333333333333 0.49292876128501 22.990 > 2 5 Na 0.00000000000000 0.00000000000000 0.82684629242983 22.990 > 1 6 Na 0.33333333333333 0.66666666666667 0.82626209461834 22.990 > 2 *7 Ti 0.47088604088179 0.52911395911821 0.00107247715880 47.867 > 3 8 Ti 0.05822791823642 0.52911395911821 0.00107247715880 47.867 > 4 9 Ti 0.47088604088179 0.94177208176358 0.00107247715880 47.867 > 5 10 Ti 0.13755270754846 0.86244729245154 0.33440581049213 47.867 > 3 11 Ti 0.72489458490309 0.86244729245154 0.33440581049213 47.867 > 4 12 Ti 0.13755270754846 0.27510541509691 0.33440581049213 47.867 > 5 13 Ti 0.80421937421512 0.19578062578488 0.66773914382547 47.867 > 3 14 Ti 0.39156125156975 0.19578062578488 0.66773914382547 47.867 > 4 15 Ti 0.80421937421512 0.60843874843025 0.66773914382547 47.867 > 5 *16 Cl 0.33352018380568 0.16676009190284 0.06679229357678 35.453 > 6 17 Cl 0.83323990809716 0.66647981619432 0.06679229357678 35.453 > 7 *18 Cl 0.83444964635292 0.16555035364708 0.25786176682140 35.453 > 8 19 Cl 0.83323990809716 0.16676009190284 0.06679229357678 35.453 > 9 *20 Cl 0.33333333333333 0.66666666666667 0.08578555946764 35.453 > 10 21 Cl 0.83444964635292 0.66889929270585 0.25786176682140 35.453 > 11 *22 Cl 0.33333333333333 0.66666666666667 0.27336040414659 35.453 > 12 23 Cl 0.33110070729415 0.16555035364708 0.25786176682140 35.453 > 13 24 Cl 0.00018685047235 0.50009342523617 0.40012562691011 35.453 > 6 25 Cl 0.49990657476383 0.99981314952765 0.40012562691011 35.453 > 7 26 Cl 0.50111631301959 0.49888368698041 0.59119510015473 35.453 > 8 27 Cl 0.49990657476383 0.50009342523617 0.40012562691011 35.453 > 9 28 Cl 0.00000000000000 0.00000000000000 0.41911889280098 35.453 > 10 29 Cl 0.50111631301959 0.00223262603918 0.59119510015473 35.453 > 11 30 Cl 0.00000000000000 0.00000000000000 0.60669373747993 35.453 > 12 31 Cl 0.99776737396082 0.49888368698041 0.59119510015473 35.453 > 13 32 Cl 0.66685351713902 0.83342675856951 0.73345896024345 35.453 > 6 33 Cl 0.16657324143049 0.33314648286098 0.73345896024345 35.453 > 7 34 Cl 0.16778297968626 0.83221702031374 0.92452843348806 35.453 > 8 35 Cl 0.16657324143049 0.83342675856951 0.73345896024345 35.453 > 9 36 Cl 0.66666666666667 0.33333333333333 0.75245222613431 35.453 > 10 37 Cl 0.16778297968626 0.33556595937251 0.92452843348806 35.453 > 11 38 Cl 0.66666666666667 0.33333333333333 0.94002707081326 35.453 > 12 39 Cl 0.66443404062749 0.83221702031374 0.92452843348806 35.453 > 13-------------------------------- super cell --------------------------------Lattice vectors: a 6.818765780893732 0.000000000000000 0.000000000000000 b -3.409382890446866 5.905224388710007 0.000000000000000 c 0.000000000000000 0.000000000000000 20.272633849999998Atomic positions (fractional): *1 Na 0.66666666666667 0.33333333333333 0.16017962576317 22.990 > 1 *2 Na 0.00000000000000 0.00000000000000 0.15959542795168 22.990 > 2 3 Na 0.33333333333333 0.66666666666667 0.49351295909650 22.990 > 1 4 Na 0.66666666666667 0.33333333333333 0.49292876128501 22.990 > 2 5 Na 0.00000000000000 0.00000000000000 0.82684629242983 22.990 > 1 6 Na 0.33333333333333 0.66666666666667 0.82626209461834 22.990 > 2 *7 Ti 0.47088604088179 0.52911395911821 0.00107247715880 47.867 > 3 8 Ti 0.05822791823642 0.52911395911821 0.00107247715880 47.867 > 4 9 Ti 0.47088604088179 0.94177208176358 0.00107247715880 47.867 > 5 10 Ti 0.13755270754846 0.86244729245154 0.33440581049213 47.867 > 3 11 Ti 0.72489458490309 0.86244729245154 0.33440581049213 47.867 > 4 12 Ti 0.13755270754846 0.27510541509691 0.33440581049213 47.867 > 5 13 Ti 0.80421937421512 0.19578062578488 0.66773914382547 47.867 > 3 14 Ti 0.39156125156975 0.19578062578488 0.66773914382547 47.867 > 4 15 Ti 0.80421937421512 0.60843874843025 0.66773914382547 47.867 > 5 *16 Cl 0.33352018380568 0.16676009190284 0.06679229357678 35.453 > 6 17 Cl 0.83323990809716 0.66647981619432 0.06679229357678 35.453 > 7 *18 Cl 0.83444964635292 0.16555035364708 0.25786176682140 35.453 > 8 19 Cl 0.83323990809716 0.16676009190284 0.06679229357678 35.453 > 9 *20 Cl 0.33333333333333 0.66666666666667 0.08578555946764 35.453 > 10 21 Cl 0.83444964635292 0.66889929270585 0.25786176682140 35.453 > 11 *22 Cl 0.33333333333333 0.66666666666667 0.27336040414659 35.453 > 12 23 Cl 0.33110070729415 0.16555035364708 0.25786176682140 35.453 > 13 24 Cl 0.00018685047235 0.50009342523617 0.40012562691011 35.453 > 6 25 Cl 0.49990657476383 0.99981314952765 0.40012562691011 35.453 > 7 26 Cl 0.50111631301959 0.49888368698041 0.59119510015473 35.453 > 8 27 Cl 0.49990657476383 0.50009342523617 0.40012562691011 35.453 > 9 28 Cl 0.00000000000000 0.00000000000000 0.41911889280098 35.453 > 10 29 Cl 0.50111631301959 0.00223262603918 0.59119510015473 35.453 > 11 30 Cl 0.00000000000000 0.00000000000000 0.60669373747993 35.453 > 12 31 Cl 0.99776737396082 0.49888368698041 0.59119510015473 35.453 > 13 32 Cl 0.66685351713902 0.83342675856951 0.73345896024345 35.453 > 6 33 Cl 0.16657324143049 0.33314648286098 0.73345896024345 35.453 > 7 34 Cl 0.16778297968626 0.83221702031374 0.92452843348806 35.453 > 8 35 Cl 0.16657324143049 0.83342675856951 0.73345896024345 35.453 > 9 36 Cl 0.66666666666667 0.33333333333333 0.75245222613431 35.453 > 10 37 Cl 0.16778297968626 0.33556595937251 0.92452843348806 35.453 > 11 38 Cl 0.66666666666667 0.33333333333333 0.94002707081326 35.453 > 12 39 Cl 0.66443404062749 0.83221702031374 0.92452843348806 35.453 > 13----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 7.0358165 -0.0000000 0.0000000 0.0000000 7.0358165 0.0000000 0.0000000 0.0000000 3.8955822-------------------------- Born effective charges -------------------------- 1 Na 1.2160851 -0.0000000 0.0000000 0.0000000 1.2160851 0.0000000 0.0000000 0.0000000 1.6822433 2 Na 0.8449326 0.0000000 0.0000000 0.0000000 0.8449326 0.0000000 0.0000000 0.0000000 1.6739855 3 Ti 2.0076920 -0.6908747 0.3797064 -0.6908747 1.2099386 -0.2192236 0.3185082 -0.1838908 0.9278893 4 Ti 2.0076920 0.6908747 -0.3797064 0.6908747 1.2099386 -0.2192236 -0.3185082 -0.1838908 0.9278893 5 Ti 0.8110619 -0.0000000 -0.0000000 0.0000000 2.4065688 0.4384472 0.0000000 0.3677816 0.9278893 6 Cl -0.9162675 0.4616788 0.0271105 0.4616788 -1.4493682 0.0156522 0.0529359 0.0305626 -0.8096605 7 Cl -1.7159186 -0.0000000 0.0000000 0.0000000 -0.6497171 -0.0313045 0.0000000 -0.0611251 -0.8096605 8 Cl -0.6120237 0.0860671 -0.3562569 0.0860671 -0.5126419 0.2056850 -0.2478948 0.1431222 -0.9030738 9 Cl -0.9162675 -0.4616788 -0.0271105 -0.4616788 -1.4493682 0.0156522 -0.0529359 0.0305626 -0.8096605 10 Cl -0.2141250 0.0000000 0.0000000 0.0000000 -0.2141250 0.0000000 0.0000000 0.0000000 -0.4953710 11 Cl -0.4629510 0.0000000 0.0000000 0.0000000 -0.6617146 -0.4113701 0.0000000 -0.2862443 -0.9030738 12 Cl -1.4378868 0.0000000 0.0000000 0.0000000 -1.4378868 0.0000000 0.0000000 0.0000000 -0.5063230 13 Cl -0.6120237 -0.0860671 0.3562569 -0.0860671 -0.5126419 0.2056850 0.2478948 0.1431222 -0.9030738----------------------------------------------------------------------------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: 117/117Permutation basis: 2955/2955Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 430Number of blocks in projector: 358Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 185Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 153Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 92Use standard eigh solver.Tree of FC basis block matrices:- (430, 407), data: False|-- (92, 85), data: True|-- (153, 147), data: True|-- (185, 175), data: True-----Solver_atoms: 1 -- 39 / 39Time (Solver_compr_matrix_reshape): 0.001Solver_block: 100 / 320 - Time: 0.101Solver_block: 200 / 320 - Time: 0.112Solver_block: 300 / 320 - Time: 0.110Solver_block: 320 / 320 - Time: 0.027Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.359--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 117/117Permutation basis: 2955/2955Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 430Number of blocks in projector: 358Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 185Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 153Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 92Use standard eigh solver.Tree of FC basis block matrices:- (430, 407), data: False|-- (92, 85), data: True|-- (153, 147), data: True|-- (185, 175), data: TrueMax drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 18:46:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 18:46:40]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [1 1 1]Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R3m (160)------------------------------ primitive cell ------------------------------Lattice vectors: a 3.409382890446869 1.968408129570000 6.757544616666659 b -3.409382890446862 1.968408129570000 6.757544616666659 c 0.000000000000003 -3.936816259140006 6.757544616666659Atomic positions (fractional): 1 Na 0.82684629242983 0.82684629242983 0.82684629242983 22.990 2 Na 0.15959542795168 0.15959542795168 0.15959542795168 22.990 3 Ti 0.47195851804059 0.05930039539522 0.47195851804059 47.867 4 Ti 0.05930039539522 0.47195851804059 0.47195851804059 47.867 5 Ti 0.47195851804059 0.47195851804059 0.05930039539522 47.867 6 Cl 0.40031247738246 0.90003220167394 0.90003220167394 35.453 7 Cl 0.90003220167394 0.90003220167394 0.40031247738246 35.453 8 Cl 0.09231141317432 0.58896247411555 0.09231141317432 35.453 9 Cl 0.90003220167394 0.40031247738246 0.90003220167394 35.453 10 Cl 0.41911889280098 0.41911889280098 0.41911889280098 35.453 11 Cl 0.09231141317432 0.09231141317432 0.58896247411555 35.453 12 Cl 0.60669373747993 0.60669373747993 0.60669373747993 35.453 13 Cl 0.58896247411555 0.09231141317432 0.09231141317432 35.453-------------------------------- supercell ---------------------------------Lattice vectors: a 6.818765780893732 0.000000000000000 0.000000000000000 b -3.409382890446866 5.905224388710007 0.000000000000000 c 0.000000000000000 0.000000000000000 20.272633849999998Atomic positions (fractional): 1 Na 0.66666666666667 0.33333333333333 0.16017962576317 22.990 > 1 2 Na 0.00000000000000 0.00000000000000 0.15959542795168 22.990 > 2 3 Na 0.33333333333333 0.66666666666667 0.49351295909650 22.990 > 1 4 Na 0.66666666666667 0.33333333333333 0.49292876128501 22.990 > 2 5 Na 0.00000000000000 0.00000000000000 0.82684629242983 22.990 > 1 6 Na 0.33333333333333 0.66666666666667 0.82626209461834 22.990 > 2 7 Ti 0.47088604088179 0.52911395911821 0.00107247715880 47.867 > 7 8 Ti 0.05822791823642 0.52911395911821 0.00107247715880 47.867 > 8 9 Ti 0.47088604088179 0.94177208176358 0.00107247715880 47.867 > 9 10 Ti 0.13755270754846 0.86244729245154 0.33440581049213 47.867 > 7 11 Ti 0.72489458490309 0.86244729245154 0.33440581049213 47.867 > 8 12 Ti 0.13755270754846 0.27510541509691 0.33440581049213 47.867 > 9 13 Ti 0.80421937421512 0.19578062578488 0.66773914382547 47.867 > 7 14 Ti 0.39156125156975 0.19578062578488 0.66773914382547 47.867 > 8 15 Ti 0.80421937421512 0.60843874843025 0.66773914382547 47.867 > 9 16 Cl 0.33352018380568 0.16676009190284 0.06679229357678 35.453 > 16 17 Cl 0.83323990809716 0.66647981619432 0.06679229357678 35.453 > 17 18 Cl 0.83444964635292 0.16555035364708 0.25786176682140 35.453 > 18 19 Cl 0.83323990809716 0.16676009190284 0.06679229357678 35.453 > 19 20 Cl 0.33333333333333 0.66666666666667 0.08578555946764 35.453 > 20 21 Cl 0.83444964635292 0.66889929270585 0.25786176682140 35.453 > 21 22 Cl 0.33333333333333 0.66666666666667 0.27336040414659 35.453 > 22 23 Cl 0.33110070729415 0.16555035364708 0.25786176682140 35.453 > 23 24 Cl 0.00018685047235 0.50009342523617 0.40012562691011 35.453 > 16 25 Cl 0.49990657476383 0.99981314952765 0.40012562691011 35.453 > 17 26 Cl 0.50111631301959 0.49888368698041 0.59119510015473 35.453 > 18 27 Cl 0.49990657476383 0.50009342523617 0.40012562691011 35.453 > 19 28 Cl 0.00000000000000 0.00000000000000 0.41911889280098 35.453 > 20 29 Cl 0.50111631301959 0.00223262603918 0.59119510015473 35.453 > 21 30 Cl 0.00000000000000 0.00000000000000 0.60669373747993 35.453 > 22 31 Cl 0.99776737396082 0.49888368698041 0.59119510015473 35.453 > 23 32 Cl 0.66685351713902 0.83342675856951 0.73345896024345 35.453 > 16 33 Cl 0.16657324143049 0.33314648286098 0.73345896024345 35.453 > 17 34 Cl 0.16778297968626 0.83221702031374 0.92452843348806 35.453 > 18 35 Cl 0.16657324143049 0.83342675856951 0.73345896024345 35.453 > 19 36 Cl 0.66666666666667 0.33333333333333 0.75245222613431 35.453 > 20 37 Cl 0.16778297968626 0.33556595937251 0.92452843348806 35.453 > 21 38 Cl 0.66666666666667 0.33333333333333 0.94002707081326 35.453 > 22 39 Cl 0.66443404062749 0.83221702031374 0.92452843348806 35.453 > 23----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 7.0358165 -0.0000000 0.0000000 0.0000000 7.0358165 0.0000000 0.0000000 0.0000000 3.8955822-------------------------- Born effective charges -------------------------- 1 Na 1.2160851 -0.0000000 0.0000000 0.0000000 1.2160851 0.0000000 0.0000000 0.0000000 1.6822433 2 Na 0.8449326 0.0000000 0.0000000 0.0000000 0.8449326 0.0000000 0.0000000 0.0000000 1.6739855 3 Ti 2.0076920 -0.6908747 0.3797064 -0.6908747 1.2099386 -0.2192236 0.3185082 -0.1838908 0.9278893 4 Ti 2.0076920 0.6908747 -0.3797064 0.6908747 1.2099386 -0.2192236 -0.3185082 -0.1838908 0.9278893 5 Ti 0.8110619 -0.0000000 -0.0000000 0.0000000 2.4065688 0.4384472 0.0000000 0.3677816 0.9278893 6 Cl -0.9162675 0.4616788 0.0271105 0.4616788 -1.4493682 0.0156522 0.0529359 0.0305626 -0.8096605 7 Cl -1.7159186 -0.0000000 0.0000000 0.0000000 -0.6497171 -0.0313045 0.0000000 -0.0611251 -0.8096605 8 Cl -0.6120237 0.0860671 -0.3562569 0.0860671 -0.5126419 0.2056850 -0.2478948 0.1431222 -0.9030738 9 Cl -0.9162675 -0.4616788 -0.0271105 -0.4616788 -1.4493682 0.0156522 -0.0529359 0.0305626 -0.8096605 10 Cl -0.2141250 0.0000000 0.0000000 0.0000000 -0.2141250 0.0000000 0.0000000 0.0000000 -0.4953710 11 Cl -0.4629510 0.0000000 0.0000000 0.0000000 -0.6617146 -0.4113701 0.0000000 -0.2862443 -0.9030738 12 Cl -1.4378868 0.0000000 0.0000000 0.0000000 -1.4378868 0.0000000 0.0000000 0.0000000 -0.5063230 13 Cl -0.6120237 -0.0860671 0.3562569 -0.0860671 -0.5126419 0.2056850 0.2478948 0.1431222 -0.9030738----------------------------------------------------------------------------Sets of supercell forces were read from "FORCES_FC3.xz".Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".----------------------------- Force constants ------------------------------Computing fc3[ 1, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 2, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 7, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 16, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 18, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 20, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 22, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: 0.00000000 (zxz) 0.00000000 (zxz) 0.00000000 (zzx)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) 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 18:46:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 18:46:43]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [1 1 1]Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R3m (160)------------------------------ primitive cell ------------------------------Lattice vectors: a 3.409382890446869 1.968408129570000 6.757544616666659 b -3.409382890446862 1.968408129570000 6.757544616666659 c 0.000000000000003 -3.936816259140006 6.757544616666659Atomic positions (fractional): 1 Na 0.82684629242983 0.82684629242983 0.82684629242983 22.990 2 Na 0.15959542795168 0.15959542795168 0.15959542795168 22.990 3 Ti 0.47195851804059 0.05930039539522 0.47195851804059 47.867 4 Ti 0.05930039539522 0.47195851804059 0.47195851804059 47.867 5 Ti 0.47195851804059 0.47195851804059 0.05930039539522 47.867 6 Cl 0.40031247738246 0.90003220167394 0.90003220167394 35.453 7 Cl 0.90003220167394 0.90003220167394 0.40031247738246 35.453 8 Cl 0.09231141317432 0.58896247411555 0.09231141317432 35.453 9 Cl 0.90003220167394 0.40031247738246 0.90003220167394 35.453 10 Cl 0.41911889280098 0.41911889280098 0.41911889280098 35.453 11 Cl 0.09231141317432 0.09231141317432 0.58896247411555 35.453 12 Cl 0.60669373747993 0.60669373747993 0.60669373747993 35.453 13 Cl 0.58896247411555 0.09231141317432 0.09231141317432 35.453-------------------------------- supercell ---------------------------------Lattice vectors: a 6.818765780893732 0.000000000000000 0.000000000000000 b -3.409382890446866 5.905224388710007 0.000000000000000 c 0.000000000000000 0.000000000000000 20.272633849999998Atomic positions (fractional): 1 Na 0.66666666666667 0.33333333333333 0.16017962576317 22.990 > 1 2 Na 0.00000000000000 0.00000000000000 0.15959542795168 22.990 > 2 3 Na 0.33333333333333 0.66666666666667 0.49351295909650 22.990 > 1 4 Na 0.66666666666667 0.33333333333333 0.49292876128501 22.990 > 2 5 Na 0.00000000000000 0.00000000000000 0.82684629242983 22.990 > 1 6 Na 0.33333333333333 0.66666666666667 0.82626209461834 22.990 > 2 7 Ti 0.47088604088179 0.52911395911821 0.00107247715880 47.867 > 7 8 Ti 0.05822791823642 0.52911395911821 0.00107247715880 47.867 > 8 9 Ti 0.47088604088179 0.94177208176358 0.00107247715880 47.867 > 9 10 Ti 0.13755270754846 0.86244729245154 0.33440581049213 47.867 > 7 11 Ti 0.72489458490309 0.86244729245154 0.33440581049213 47.867 > 8 12 Ti 0.13755270754846 0.27510541509691 0.33440581049213 47.867 > 9 13 Ti 0.80421937421512 0.19578062578488 0.66773914382547 47.867 > 7 14 Ti 0.39156125156975 0.19578062578488 0.66773914382547 47.867 > 8 15 Ti 0.80421937421512 0.60843874843025 0.66773914382547 47.867 > 9 16 Cl 0.33352018380568 0.16676009190284 0.06679229357678 35.453 > 16 17 Cl 0.83323990809716 0.66647981619432 0.06679229357678 35.453 > 17 18 Cl 0.83444964635292 0.16555035364708 0.25786176682140 35.453 > 18 19 Cl 0.83323990809716 0.16676009190284 0.06679229357678 35.453 > 19 20 Cl 0.33333333333333 0.66666666666667 0.08578555946764 35.453 > 20 21 Cl 0.83444964635292 0.66889929270585 0.25786176682140 35.453 > 21 22 Cl 0.33333333333333 0.66666666666667 0.27336040414659 35.453 > 22 23 Cl 0.33110070729415 0.16555035364708 0.25786176682140 35.453 > 23 24 Cl 0.00018685047235 0.50009342523617 0.40012562691011 35.453 > 16 25 Cl 0.49990657476383 0.99981314952765 0.40012562691011 35.453 > 17 26 Cl 0.50111631301959 0.49888368698041 0.59119510015473 35.453 > 18 27 Cl 0.49990657476383 0.50009342523617 0.40012562691011 35.453 > 19 28 Cl 0.00000000000000 0.00000000000000 0.41911889280098 35.453 > 20 29 Cl 0.50111631301959 0.00223262603918 0.59119510015473 35.453 > 21 30 Cl 0.00000000000000 0.00000000000000 0.60669373747993 35.453 > 22 31 Cl 0.99776737396082 0.49888368698041 0.59119510015473 35.453 > 23 32 Cl 0.66685351713902 0.83342675856951 0.73345896024345 35.453 > 16 33 Cl 0.16657324143049 0.33314648286098 0.73345896024345 35.453 > 17 34 Cl 0.16778297968626 0.83221702031374 0.92452843348806 35.453 > 18 35 Cl 0.16657324143049 0.83342675856951 0.73345896024345 35.453 > 19 36 Cl 0.66666666666667 0.33333333333333 0.75245222613431 35.453 > 20 37 Cl 0.16778297968626 0.33556595937251 0.92452843348806 35.453 > 21 38 Cl 0.66666666666667 0.33333333333333 0.94002707081326 35.453 > 22 39 Cl 0.66443404062749 0.83221702031374 0.92452843348806 35.453 > 23----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 7.0358165 -0.0000000 0.0000000 0.0000000 7.0358165 0.0000000 0.0000000 0.0000000 3.8955822-------------------------- Born effective charges -------------------------- 1 Na 1.2160851 -0.0000000 0.0000000 0.0000000 1.2160851 0.0000000 0.0000000 0.0000000 1.6822433 2 Na 0.8449326 0.0000000 0.0000000 0.0000000 0.8449326 0.0000000 0.0000000 0.0000000 1.6739855 3 Ti 2.0076920 -0.6908747 0.3797064 -0.6908747 1.2099386 -0.2192236 0.3185082 -0.1838908 0.9278893 4 Ti 2.0076920 0.6908747 -0.3797064 0.6908747 1.2099386 -0.2192236 -0.3185082 -0.1838908 0.9278893 5 Ti 0.8110619 -0.0000000 -0.0000000 0.0000000 2.4065688 0.4384472 0.0000000 0.3677816 0.9278893 6 Cl -0.9162675 0.4616788 0.0271105 0.4616788 -1.4493682 0.0156522 0.0529359 0.0305626 -0.8096605 7 Cl -1.7159186 -0.0000000 0.0000000 0.0000000 -0.6497171 -0.0313045 0.0000000 -0.0611251 -0.8096605 8 Cl -0.6120237 0.0860671 -0.3562569 0.0860671 -0.5126419 0.2056850 -0.2478948 0.1431222 -0.9030738 9 Cl -0.9162675 -0.4616788 -0.0271105 -0.4616788 -1.4493682 0.0156522 -0.0529359 0.0305626 -0.8096605 10 Cl -0.2141250 0.0000000 0.0000000 0.0000000 -0.2141250 0.0000000 0.0000000 0.0000000 -0.4953710 11 Cl -0.4629510 0.0000000 0.0000000 0.0000000 -0.6617146 -0.4113701 0.0000000 -0.2862443 -0.9030738 12 Cl -1.4378868 0.0000000 0.0000000 0.0000000 -1.4378868 0.0000000 0.0000000 0.0000000 -0.5063230 13 Cl -0.6120237 -0.0860671 0.3562569 -0.0860671 -0.5126419 0.2056850 0.2478948 0.1431222 -0.9030738----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000000 (zxz) 0.00000000 (zxz) 0.00000000 (zzx)Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 9 9 9 ]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: 0.64, Number of G-points: 291, Lambda: 0.16Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/85) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 85Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 3.073 ( -0.000 -0.000 -0.000) 0.000 3.073 ( 0.000 -0.000 0.000) 0.000 3.347 ( 0.000 0.000 -0.000) 0.000 3.347 ( 0.000 0.000 -0.000) 0.000 3.483 ( 0.000 0.000 0.000) 0.000 4.247 ( 0.000 0.000 0.000) 0.000 4.247 ( 0.000 0.000 -0.000) 0.000 4.270 ( 0.000 0.000 -0.000) 0.000 4.912 ( -0.000 0.000 0.000) 0.000 4.954 ( 0.000 0.000 -0.000) 0.000 4.954 ( 0.000 -0.000 -0.000) 0.000 5.066 ( 0.000 0.000 0.000) 0.000 5.066 ( 0.000 0.000 -0.000) 0.000 5.537 ( 0.000 0.000 -0.000) 0.000 5.591 ( -0.000 0.000 -0.000) 0.000 5.762 ( 0.000 0.000 0.000) 0.000 5.762 ( 0.000 0.000 -0.000) 0.000 6.052 ( 0.000 0.000 0.000) 0.000 6.135 ( 0.000 0.000 -0.000) 0.000 6.135 ( 0.000 -0.000 0.000) 0.000 6.294 ( 0.000 -0.000 0.000) 0.000 6.294 ( 0.000 0.000 0.000) 0.000 6.566 ( 0.000 0.000 0.000) 0.000 7.346 ( 0.000 0.000 -0.000) 0.000 7.346 ( 0.000 -0.000 0.000) 0.000 7.596 ( 0.000 0.000 -0.000) 0.000 8.313 ( 0.000 0.000 0.000) 0.000 8.667 ( 0.000 0.000 -0.000) 0.000 8.667 ( 0.000 -0.000 0.000) 0.000 8.994 ( 0.000 0.000 0.000) 0.000 9.446 ( 0.000 -0.000 0.000) 0.000 9.446 ( -0.000 -0.000 -0.000) 0.000 9.850 ( -0.000 0.000 0.000) 0.000 10.588 ( 0.000 0.000 0.000) 0.000 10.588 ( 0.000 -0.000 0.000) 0.000 11.455 ( -0.000 0.000 0.000) 0.000======================= Grid point 1 (2/85) =======================q-point: ( 0.11 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.591 ( 23.784 13.732 13.341) 30.533 0.604 ( 24.700 14.260 10.073) 30.248 0.831 ( 37.228 21.494 0.811) 42.995 3.064 ( -0.078 -0.045 -4.155) 4.156 3.104 ( -0.330 -0.191 -2.739) 2.765 3.308 ( -3.194 -1.844 -3.276) 4.933 3.389 ( 1.173 0.677 3.957) 4.183 3.468 ( -0.421 -0.243 0.515) 0.708 4.164 ( -5.123 -2.958 -3.634) 6.943 4.292 ( 2.815 1.625 4.133) 5.258 4.314 ( 1.706 0.985 -2.909) 3.514 4.917 ( -0.523 -0.302 0.576) 0.835 4.964 ( 0.914 0.528 -0.518) 1.176 4.968 ( -1.731 -1.000 -1.879) 2.743 5.069 ( 0.251 0.145 -0.062) 0.297 5.114 ( 1.954 1.128 2.078) 3.067 5.497 ( -3.797 -2.192 0.116) 4.386 5.583 ( 0.015 0.009 -1.315) 1.315 5.764 ( 0.330 0.190 -0.743) 0.835 5.864 ( -0.065 -0.038 -4.223) 4.224 6.053 ( -2.706 -1.562 4.307) 5.321 6.084 ( -3.252 -1.878 -0.492) 3.788 6.134 ( -2.453 -1.416 4.093) 4.978 6.340 ( 2.921 1.687 0.836) 3.476 6.426 ( 2.770 1.599 -1.302) 3.453 6.561 ( -2.160 -1.247 4.447) 5.099 7.333 ( -1.071 -0.619 -0.294) 1.272 7.424 ( -4.696 -2.711 -0.022) 5.422 7.617 ( 0.046 0.026 2.060) 2.061 8.317 ( 0.384 0.222 -0.547) 0.704 8.669 ( 0.148 0.085 0.086) 0.191 8.932 ( 0.649 0.375 -3.471) 3.551 9.000 ( 0.592 0.342 -0.036) 0.685 9.457 ( 0.823 0.475 0.471) 1.061 9.498 ( 1.174 0.678 -1.136) 1.768 9.860 ( -0.166 -0.096 2.428) 2.436 10.586 ( -0.294 -0.170 0.396) 0.521 10.617 ( 0.601 0.347 -0.309) 0.759 11.455 ( -1.504 -0.869 3.070) 3.527======================= Grid point 2 (3/85) =======================q-point: ( 0.22 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.172 ( 22.119 12.770 10.411) 27.581 1.176 ( 23.927 13.814 10.736) 29.641 1.609 ( 33.163 19.147 2.195) 38.356 3.003 ( -2.420 -1.397 -10.422) 10.790 3.050 ( -4.266 -2.463 0.335) 4.937 3.179 ( -6.278 -3.625 -1.872) 7.487 3.457 ( 2.959 1.708 2.921) 4.495 3.508 ( 3.640 2.102 1.423) 4.438 4.012 ( -5.944 -3.431 -6.908) 9.738 4.316 ( 0.275 0.159 -3.874) 3.887 4.399 ( 4.121 2.379 6.050) 7.697 4.849 ( -4.079 -2.355 -3.086) 5.631 4.960 ( 0.089 0.052 2.594) 2.596 4.982 ( 1.139 0.658 -1.440) 1.950 5.071 ( -0.091 -0.052 -0.258) 0.279 5.175 ( 2.382 1.375 2.039) 3.423 5.374 ( -7.330 -4.232 0.080) 8.465 5.589 ( 0.662 0.382 -1.573) 1.749 5.768 ( 0.479 0.277 -0.903) 1.059 5.782 ( -4.575 -2.641 -3.579) 6.381 6.021 ( -2.038 -1.177 -0.437) 2.394 6.039 ( 0.163 0.094 0.092) 0.209 6.109 ( -2.497 -1.441 6.569) 7.174 6.404 ( 2.322 1.341 0.928) 2.837 6.444 ( -1.260 -0.728 -1.622) 2.179 6.569 ( 2.426 1.401 0.886) 2.939 7.300 ( -1.646 -0.950 -0.431) 1.949 7.305 ( -6.421 -3.707 2.175) 7.727 7.622 ( -0.290 -0.167 1.002) 1.056 8.318 ( 0.057 0.033 -1.019) 1.021 8.673 ( 0.216 0.125 0.131) 0.281 8.926 ( -0.061 -0.035 -1.201) 1.203 9.017 ( 0.922 0.532 -0.053) 1.066 9.484 ( 1.235 0.713 0.692) 1.585 9.523 ( 1.491 0.861 -0.611) 1.827 9.874 ( 0.445 0.257 1.567) 1.649 10.580 ( -0.463 -0.267 0.620) 0.819 10.632 ( 0.770 0.444 -0.002) 0.889 11.434 ( -1.550 -0.895 1.630) 2.421======================= Grid point 3 (4/85) =======================q-point: ( 0.33 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.668 ( 17.994 10.389 10.607) 23.329 1.739 ( 23.180 13.383 6.409) 27.523 2.273 ( 25.710 14.843 4.419) 30.014 2.829 ( -7.178 -4.144 -13.019) 15.433 2.914 ( -9.628 -5.559 4.620) 12.039 3.062 ( -3.678 -2.123 -0.358) 4.262 3.508 ( 0.226 0.130 -3.085) 3.096 3.623 ( 5.484 3.166 1.555) 6.520 3.854 ( -3.824 -2.208 -7.459) 8.668 4.293 ( -0.261 -0.151 -3.012) 3.027 4.523 ( 4.071 2.350 5.524) 7.253 4.750 ( -3.296 -1.903 -1.571) 4.117 4.981 ( 0.656 0.379 2.266) 2.389 4.995 ( 1.108 0.640 -2.621) 2.917 5.056 ( -1.540 -0.889 0.456) 1.836 5.199 ( -7.884 -4.552 -0.414) 9.113 5.226 ( 1.006 0.581 1.463) 1.869 5.514 ( -6.496 -3.751 -3.307) 8.198 5.734 ( 1.972 1.139 -0.695) 2.381 5.775 ( 0.491 0.283 -0.465) 0.733 5.992 ( -0.627 -0.362 -0.400) 0.827 6.036 ( -0.646 -0.373 -0.054) 0.748 6.104 ( -0.877 -0.507 5.162) 5.261 6.378 ( -3.466 -2.001 -0.916) 4.106 6.448 ( 1.296 0.748 0.713) 1.658 6.655 ( 4.937 2.850 -1.450) 5.882 7.180 ( -6.110 -3.527 2.688) 7.550 7.263 ( -1.446 -0.835 -0.360) 1.708 7.619 ( -0.323 -0.187 0.779) 0.864 8.309 ( -0.363 -0.210 -1.044) 1.125 8.679 ( 0.177 0.102 0.114) 0.234 8.918 ( -0.248 -0.143 -0.323) 0.431 9.037 ( 0.823 0.475 -0.044) 0.951 9.513 ( 1.065 0.615 0.580) 1.360 9.551 ( 1.262 0.729 -0.385) 1.507 9.894 ( 0.637 0.368 0.955) 1.206 10.574 ( -0.421 -0.243 0.561) 0.742 10.648 ( 0.624 0.360 0.082) 0.725 11.410 ( -1.256 -0.725 0.933) 1.725======================= Grid point 4 (5/85) =======================q-point: ( 0.44 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.045 ( 10.431 6.022 7.860) 14.382 2.234 ( 19.756 11.406 0.905) 22.831 2.595 ( -7.064 -4.079 -8.683) 11.913 2.625 ( -9.134 -5.273 2.552) 10.851 2.784 ( 7.101 4.100 6.714) 10.598 3.008 ( -1.121 -0.647 -0.384) 1.351 3.407 ( -4.757 -2.747 -6.810) 8.749 3.729 ( 2.836 1.637 0.713) 3.351 3.795 ( 0.069 0.040 -2.298) 2.299 4.282 ( 0.190 0.109 -0.950) 0.974 4.620 ( 2.282 1.318 2.350) 3.531 4.700 ( -0.959 -0.554 -0.232) 1.131 4.990 ( -2.335 -1.348 0.341) 2.717 5.010 ( -0.351 -0.203 -1.437) 1.493 5.016 ( 1.449 0.837 1.264) 2.097 5.082 ( -2.023 -1.168 -0.336) 2.360 5.215 ( -2.232 -1.288 -0.034) 2.577 5.379 ( -2.889 -1.668 -1.157) 3.531 5.782 ( 0.224 0.129 -0.090) 0.274 5.788 ( 1.936 1.118 -0.021) 2.236 5.983 ( -0.082 -0.047 -0.190) 0.212 6.017 ( -0.762 -0.440 -0.193) 0.901 6.123 ( 0.376 0.217 2.382) 2.422 6.306 ( -2.072 -1.196 -0.826) 2.531 6.469 ( 0.395 0.228 0.269) 0.530 6.743 ( 3.015 1.741 -1.039) 3.633 7.083 ( -3.267 -1.886 1.479) 4.052 7.239 ( -0.569 -0.329 -0.137) 0.671 7.618 ( -0.108 -0.062 0.328) 0.351 8.297 ( -0.235 -0.136 -0.448) 0.524 8.682 ( 0.066 0.038 0.045) 0.089 8.913 ( -0.119 -0.069 -0.040) 0.143 9.050 ( 0.328 0.189 -0.017) 0.379 9.532 ( 0.416 0.240 0.222) 0.530 9.570 ( 0.492 0.284 -0.134) 0.584 9.909 ( 0.299 0.173 0.317) 0.469 10.569 ( -0.170 -0.098 0.225) 0.299 10.658 ( 0.235 0.136 0.043) 0.275 11.393 ( -0.486 -0.281 0.310) 0.641======================= Grid point 10 (6/85) =======================q-point: ( 0.11 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.517 ( 0.000 26.303 0.629) 26.310 0.661 ( 0.000 22.688 19.761) 30.087 0.967 ( 0.000 41.081 15.617) 43.949 3.035 ( -0.000 0.743 -6.375) 6.418 3.059 ( -0.000 -1.914 -7.668) 7.903 3.335 ( -0.000 0.237 -2.353) 2.365 3.398 ( 0.000 -0.119 6.012) 6.013 3.457 ( -0.000 -1.453 -0.745) 1.632 4.206 ( 0.000 -2.300 0.428) 2.340 4.221 ( -0.000 -0.089 -3.917) 3.918 4.326 ( -0.000 2.298 -0.342) 2.323 4.918 ( -0.000 -1.369 -0.699) 1.537 4.950 ( -0.000 0.669 -1.528) 1.668 4.961 ( -0.000 -1.840 -1.133) 2.161 5.089 ( 0.000 1.112 1.657) 1.995 5.113 ( 0.000 2.452 1.716) 2.993 5.498 ( -0.000 -4.328 0.235) 4.334 5.573 ( -0.000 -0.182 -2.023) 2.031 5.762 ( -0.000 0.774 -0.961) 1.234 5.851 ( -0.000 2.731 -4.253) 5.054 6.082 ( 0.000 -4.769 3.428) 5.874 6.110 ( 0.000 -3.472 2.674) 4.383 6.130 ( 0.000 -6.297 3.784) 7.347 6.328 ( -0.000 3.238 -0.724) 3.318 6.424 ( -0.000 3.740 -1.137) 3.909 6.592 ( 0.000 -5.683 7.581) 9.475 7.337 ( -0.000 -1.044 0.110) 1.049 7.409 ( -0.000 -4.492 -1.578) 4.761 7.632 ( 0.000 -1.768 3.413) 3.843 8.313 ( -0.000 0.475 -0.947) 1.059 8.667 ( -0.000 0.084 -0.134) 0.158 8.912 ( -0.000 3.330 -5.026) 6.029 9.000 ( 0.000 0.689 -0.069) 0.692 9.459 ( 0.000 0.902 0.763) 1.182 9.496 ( -0.000 2.200 -0.836) 2.353 9.877 ( 0.000 -1.436 3.758) 4.023 10.586 ( 0.000 -0.459 0.400) 0.609 10.619 ( 0.000 1.100 0.059) 1.102 11.479 ( 0.000 -3.483 4.928) 6.034======================= Grid point 11 (7/85) =======================q-point: ( 0.22 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.988 ( 22.695 18.345 3.454) 29.386 1.089 ( 13.280 19.508 15.725) 28.359 1.528 ( 12.598 35.518 12.397) 39.673 2.957 ( -1.570 -4.105 -10.065) 10.983 3.032 ( 1.404 -0.635 -6.032) 6.225 3.260 ( -6.806 -0.297 -1.639) 7.007 3.420 ( 1.448 -2.717 5.568) 6.363 3.496 ( 3.196 3.037 -0.590) 4.448 4.080 ( -7.784 -1.009 -3.603) 8.637 4.269 ( 2.653 0.103 -4.500) 5.225 4.374 ( 4.056 1.077 3.408) 5.406 4.855 ( -2.454 -3.276 -3.869) 5.632 4.942 ( 0.212 -2.091 0.447) 2.149 4.971 ( 1.615 0.826 -1.235) 2.194 5.096 ( -1.213 1.435 1.412) 2.350 5.166 ( 1.589 1.829 2.080) 3.193 5.423 ( -3.566 -5.674 0.164) 6.704 5.574 ( 0.960 1.320 -1.723) 2.373 5.744 ( -1.554 -0.985 -1.244) 2.221 5.831 ( -2.470 0.221 -2.585) 3.583 6.013 ( -1.477 -4.095 -0.534) 4.386 6.070 ( -2.211 -0.445 1.610) 2.771 6.124 ( 1.375 -4.468 4.647) 6.592 6.390 ( 2.856 2.062 0.393) 3.544 6.450 ( -0.274 2.723 -1.675) 3.209 6.566 ( -0.990 -2.187 3.493) 4.239 7.310 ( -1.483 -1.867 -0.302) 2.404 7.340 ( -2.064 -6.002 1.249) 6.468 7.628 ( -0.278 -1.049 1.526) 1.872 8.313 ( 0.071 0.357 -1.316) 1.365 8.672 ( 0.412 0.211 -0.071) 0.468 8.917 ( 0.115 0.927 -2.073) 2.274 9.012 ( 0.510 0.894 -0.083) 1.033 9.484 ( 0.895 1.278 0.981) 1.843 9.517 ( 0.302 2.084 -0.049) 2.106 9.883 ( -0.062 -0.396 2.554) 2.585 10.585 ( 0.052 -0.542 0.588) 0.801 10.631 ( 0.073 1.034 0.493) 1.148 11.458 ( -1.389 -2.187 2.868) 3.865======================= Grid point 12 (8/85) =======================q-point: ( 0.33 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.533 ( 21.016 14.597 5.313) 26.133 1.587 ( 17.293 16.497 11.010) 26.314 2.124 ( 16.892 24.653 8.783) 31.149 2.813 ( -3.134 -5.153 -11.137) 12.665 2.990 ( -3.239 -1.362 -1.924) 4.006 3.132 ( -6.889 -1.329 0.440) 7.030 3.456 ( 2.443 -2.717 3.025) 4.743 3.579 ( 3.745 3.252 -2.190) 5.422 3.914 ( -8.185 0.296 -5.632) 9.939 4.270 ( 0.994 0.505 -4.548) 4.682 4.490 ( 5.331 1.026 3.940) 6.708 4.760 ( -2.786 -3.416 -1.971) 4.828 4.926 ( 1.596 -2.997 -2.421) 4.170 4.991 ( 0.732 -0.222 -0.445) 0.885 5.093 ( -1.537 0.994 1.529) 2.385 5.199 ( -0.120 -2.118 2.030) 2.936 5.294 ( -5.408 -2.556 -0.256) 5.987 5.576 ( -3.474 0.773 -2.060) 4.112 5.695 ( 0.650 -1.302 -1.348) 1.984 5.789 ( -1.374 1.185 -0.878) 2.016 5.969 ( 0.287 -3.212 -0.342) 3.243 6.055 ( -0.943 0.426 0.294) 1.076 6.125 ( 0.239 -2.795 4.215) 5.063 6.400 ( -2.154 -2.510 -0.692) 3.379 6.466 ( 0.044 2.660 1.818) 3.222 6.592 ( 3.422 1.786 -1.095) 4.013 7.226 ( -3.637 -6.493 1.805) 7.657 7.283 ( -1.816 -0.939 0.330) 2.071 7.621 ( -0.101 -1.045 0.707) 1.266 8.306 ( -0.194 0.126 -1.353) 1.373 8.681 ( 0.243 0.551 -0.027) 0.603 8.912 ( 0.003 -0.397 -0.725) 0.826 9.030 ( 0.692 0.860 -0.074) 1.107 9.515 ( 0.652 1.353 0.929) 1.766 9.544 ( 0.693 1.821 0.234) 1.962 9.895 ( 0.277 -0.024 1.573) 1.597 10.582 ( -0.299 -0.343 0.594) 0.748 10.646 ( 0.257 0.738 0.587) 0.977 11.429 ( -1.463 -1.547 1.653) 2.696======================= Grid point 13 (9/85) =======================q-point: ( 0.44 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.985 ( 14.955 11.821 4.628) 19.617 2.061 ( 16.659 14.073 6.750) 22.829 2.475 ( 3.150 -2.299 -7.760) 8.685 2.738 ( 1.683 5.092 1.089) 5.472 2.880 ( -7.530 -0.138 4.950) 9.012 3.028 ( -4.744 -0.758 1.914) 5.171 3.444 ( -2.515 1.019 -4.564) 5.310 3.656 ( 5.153 -0.074 -0.501) 5.178 3.796 ( -2.791 0.136 -3.719) 4.652 4.273 ( 0.879 0.913 -2.544) 2.842 4.579 ( 3.563 -0.786 -0.787) 3.732 4.693 ( -1.429 -3.072 1.554) 3.727 4.921 ( 3.599 -3.844 -2.559) 5.855 4.978 ( -0.124 -2.604 0.218) 2.616 5.080 ( -2.432 0.499 2.478) 3.507 5.135 ( -3.148 -0.600 0.380) 3.227 5.244 ( -2.434 0.954 -0.547) 2.671 5.467 ( -6.942 1.761 -1.884) 7.405 5.735 ( 3.314 0.033 -0.299) 3.328 5.788 ( 0.225 0.281 -0.088) 0.371 5.957 ( 1.506 -1.973 -0.078) 2.483 6.035 ( -1.602 -0.413 -0.072) 1.656 6.131 ( 0.232 -0.683 2.129) 2.248 6.324 ( -2.637 -2.670 -0.522) 3.789 6.491 ( -1.030 2.681 0.782) 2.977 6.675 ( 5.251 0.706 -0.766) 5.353 7.116 ( -3.624 -5.524 1.547) 6.785 7.255 ( -1.355 0.138 0.190) 1.375 7.614 ( 0.130 -1.017 0.163) 1.039 8.297 ( -0.205 0.190 -0.845) 0.890 8.688 ( -0.136 0.829 -0.054) 0.842 8.904 ( 0.251 -0.998 -0.241) 1.057 9.047 ( 0.453 0.593 -0.052) 0.748 9.537 ( 0.112 1.008 0.598) 1.177 9.571 ( 0.338 1.408 0.420) 1.508 9.906 ( 0.309 -0.133 0.745) 0.818 10.577 ( -0.446 -0.063 0.349) 0.569 10.658 ( 0.139 0.371 0.499) 0.637 11.403 ( -1.001 -0.960 0.810) 1.606======================= Grid point 14 (10/85) =======================q-point: (-0.44 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.148 ( -8.497 0.965 -7.596) 11.438 2.369 ( -2.248 -5.581 -1.083) 6.113 2.465 ( 13.203 9.847 1.602) 16.548 2.595 ( -6.202 -1.278 3.203) 7.096 2.934 ( -4.652 -0.920 -0.400) 4.759 2.963 ( -1.894 1.401 1.316) 2.699 3.449 ( 0.383 6.949 4.520) 8.298 3.710 ( 0.981 -2.776 -2.033) 3.578 3.782 ( 3.347 0.113 1.895) 3.847 4.285 ( 0.852 0.441 -0.266) 0.995 4.594 ( 3.229 -2.855 -4.826) 6.470 4.651 ( -0.549 -4.242 0.063) 4.278 4.928 ( 2.073 -2.395 -0.213) 3.174 4.989 ( 2.253 -1.420 2.071) 3.374 5.053 ( -2.335 0.609 0.776) 2.535 5.113 ( -1.781 2.611 -0.004) 3.161 5.214 ( -0.833 2.173 -0.473) 2.375 5.419 ( -1.959 5.286 -0.199) 5.641 5.764 ( 0.954 -1.608 -0.111) 1.873 5.792 ( 0.435 -0.797 0.063) 0.910 5.971 ( 0.914 -1.382 0.089) 1.659 6.011 ( 0.146 -0.059 0.054) 0.166 6.123 ( -1.312 -0.453 -1.689) 2.187 6.292 ( 0.849 -0.199 1.097) 1.401 6.493 ( -1.585 2.145 -0.231) 2.677 6.737 ( 2.025 -2.335 1.031) 3.258 7.045 ( 0.199 -2.376 -0.596) 2.458 7.245 ( -0.531 0.855 0.263) 1.040 7.608 ( 0.353 -0.822 -0.384) 0.974 8.297 ( 0.183 0.424 -0.026) 0.463 8.691 ( -0.488 0.863 -0.110) 0.997 8.900 ( 0.661 -1.036 -0.128) 1.236 9.053 ( -0.101 0.216 -0.021) 0.239 9.543 ( -0.599 0.559 0.167) 0.837 9.583 ( -0.560 0.756 0.572) 1.101 9.908 ( -0.078 -0.429 0.081) 0.444 10.572 ( -0.300 0.211 -0.016) 0.367 10.661 ( -0.211 0.007 0.327) 0.389 11.390 ( -0.149 -0.343 0.165) 0.409======================= Grid point 15 (11/85) =======================q-point: (-0.33 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.835 ( -17.736 -5.418 -9.952) 21.047 2.005 ( -24.186 -7.486 -3.445) 25.552 2.539 ( -17.954 -5.973 1.969) 19.023 2.756 ( 11.648 6.109 -3.864) 13.709 2.846 ( 4.350 5.189 7.157) 9.853 3.015 ( 3.824 1.383 0.384) 4.084 3.491 ( -0.723 -5.476 0.540) 5.550 3.666 ( -2.279 -0.379 0.314) 2.331 3.898 ( 2.722 5.752 8.030) 10.246 4.305 ( 0.437 0.539 1.257) 1.436 4.526 ( -3.441 -2.864 -6.607) 7.981 4.673 ( 6.745 -2.371 -0.699) 7.184 4.945 ( 1.102 -1.747 0.281) 2.084 5.014 ( 3.602 -1.600 1.638) 4.268 5.042 ( -1.450 1.939 -0.135) 2.425 5.128 ( 1.802 0.816 -0.093) 1.980 5.243 ( 0.340 2.919 -0.357) 2.960 5.501 ( 3.493 7.072 2.151) 8.176 5.737 ( -1.188 -2.966 -0.163) 3.199 5.789 ( -0.149 0.120 -0.007) 0.191 5.962 ( 1.180 -2.441 0.443) 2.747 6.035 ( 1.002 0.914 -0.513) 1.450 6.080 ( -1.069 -0.103 -3.108) 3.288 6.345 ( 3.231 1.294 1.546) 3.808 6.478 ( -2.154 1.609 -0.783) 2.801 6.697 ( -3.064 -4.359 1.548) 5.549 7.084 ( 5.785 0.550 -1.943) 6.127 7.256 ( 0.595 0.981 0.303) 1.186 7.606 ( 0.553 -0.435 -0.661) 0.965 8.309 ( 0.488 0.448 0.538) 0.853 8.688 ( -0.661 0.618 -0.140) 0.916 8.905 ( 0.994 -0.670 -0.030) 1.200 9.047 ( -0.705 -0.087 0.009) 0.711 9.531 ( -1.320 0.237 -0.194) 1.355 9.573 ( -1.438 0.058 0.647) 1.578 9.896 ( -0.601 -0.553 -0.383) 0.903 10.571 ( -0.014 0.379 -0.285) 0.475 10.655 ( -0.569 -0.265 0.168) 0.650 11.394 ( 0.740 0.118 -0.281) 0.801======================= Grid point 16 (12/85) =======================q-point: (-0.22 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.389 ( -23.638 -6.581 -6.966) 25.506 1.501 ( -27.774 -4.030 -3.797) 28.321 2.046 ( -32.414 -6.307 0.410) 33.025 2.943 ( 8.552 1.630 -1.610) 8.854 3.022 ( 4.845 1.352 6.705) 8.382 3.134 ( 6.022 6.582 1.362) 9.025 3.391 ( -0.204 -8.579 -3.548) 9.286 3.602 ( -6.134 0.581 0.045) 6.161 4.033 ( 1.898 5.115 7.383) 9.181 4.319 ( 0.612 -1.012 0.561) 1.309 4.406 ( -3.559 -1.955 -4.975) 6.422 4.781 ( 7.258 0.250 0.514) 7.280 4.934 ( -0.159 -1.161 -0.516) 1.281 5.027 ( -2.122 1.319 0.270) 2.513 5.070 ( 1.436 -0.100 1.052) 1.783 5.165 ( 1.927 -1.572 -1.550) 2.931 5.299 ( 4.711 3.037 0.345) 5.615 5.608 ( -0.036 1.661 1.500) 2.238 5.713 ( 2.714 -1.341 0.657) 3.097 5.804 ( 1.002 2.010 0.768) 2.374 5.979 ( 2.850 -1.390 0.555) 3.220 6.037 ( 0.539 0.095 -2.917) 2.968 6.066 ( -0.087 0.566 -0.779) 0.967 6.417 ( 2.406 0.524 0.859) 2.608 6.447 ( -1.976 1.282 -0.378) 2.385 6.603 ( -4.196 -2.825 0.155) 5.061 7.195 ( 7.674 0.872 -1.313) 7.834 7.284 ( 1.532 0.659 0.219) 1.682 7.610 ( 0.590 -0.111 -0.504) 0.784 8.322 ( 0.259 0.184 0.499) 0.592 8.680 ( -0.617 0.243 -0.106) 0.671 8.919 ( 1.067 -0.191 0.195) 1.102 9.031 ( -1.064 -0.170 0.019) 1.078 9.505 ( -1.780 0.116 -0.295) 1.808 9.548 ( -1.804 -0.340 0.514) 1.906 9.877 ( -0.852 -0.347 -0.524) 1.059 10.575 ( 0.230 0.306 -0.290) 0.481 10.641 ( -0.772 -0.288 0.078) 0.828 11.411 ( 1.276 0.243 -0.454) 1.376======================= Grid point 17 (13/85) =======================q-point: (-0.11 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.908 ( -27.314 0.000 0.000) 27.314 0.996 ( -29.782 0.000 0.000) 29.782 1.419 ( -39.855 0.000 0.000) 39.855 3.048 ( 3.843 -0.000 -0.000) 3.843 3.095 ( 1.667 -0.000 -0.000) 1.667 3.295 ( 5.439 -0.000 -0.000) 5.439 3.329 ( 1.477 -0.000 -0.000) 1.477 3.504 ( -5.112 0.000 0.000) 5.112 4.125 ( 3.611 -0.000 -0.000) 3.611 4.296 ( -1.843 0.000 0.000) 1.843 4.349 ( -1.472 0.000 0.000) 1.472 4.896 ( 5.627 -0.000 -0.000) 5.627 4.920 ( -0.186 0.000 0.000) 0.186 5.000 ( -1.980 0.000 0.000) 1.980 5.077 ( -0.257 0.000 0.000) 0.257 5.140 ( -2.444 0.000 0.000) 2.444 5.422 ( 6.698 -0.000 -0.000) 6.698 5.592 ( -1.064 0.000 0.000) 1.064 5.755 ( 1.637 -0.000 -0.000) 1.637 5.856 ( 2.578 -0.000 -0.000) 2.578 6.030 ( 2.163 -0.000 -0.000) 2.163 6.037 ( 1.727 -0.000 -0.000) 1.727 6.080 ( 2.287 -0.000 -0.000) 2.287 6.385 ( -3.395 0.000 0.000) 3.395 6.470 ( -0.823 0.000 0.000) 0.823 6.534 ( -0.955 0.000 0.000) 0.955 7.314 ( 2.127 -0.000 -0.000) 2.127 7.326 ( 7.234 -0.000 -0.000) 7.234 7.615 ( 0.094 -0.000 -0.000) 0.094 8.324 ( -0.276 0.000 0.000) 0.276 8.672 ( -0.398 0.000 0.000) 0.398 8.935 ( 0.774 -0.000 -0.000) 0.774 9.012 ( -1.014 0.000 0.000) 1.014 9.475 ( -1.683 0.000 0.000) 1.683 9.519 ( -1.507 0.000 0.000) 1.507 9.860 ( -0.693 0.000 0.000) 0.693 10.580 ( 0.341 -0.000 -0.000) 0.341 10.627 ( -0.749 0.000 0.000) 0.749 11.432 ( 1.250 -0.000 -0.000) 1.250======================= Grid point 20 (14/85) =======================q-point: ( 0.22 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.988 ( 0.000 22.122 1.461) 22.170 1.268 ( 0.000 19.860 16.960) 26.116 1.861 ( 0.000 36.562 12.557) 38.659 2.853 ( -0.000 -8.890 -8.707) 12.444 2.989 ( -0.000 2.779 -7.593) 8.086 3.356 ( 0.000 -6.262 1.319) 6.399 3.370 ( -0.000 6.232 -2.668) 6.779 3.495 ( 0.000 1.530 2.809) 3.199 4.179 ( -0.000 1.104 -4.627) 4.757 4.187 ( -0.000 0.342 -1.469) 1.508 4.342 ( 0.000 -1.582 2.069) 2.604 4.814 ( -0.000 -3.697 -6.129) 7.158 4.930 ( 0.000 -3.077 1.400) 3.380 4.950 ( -0.000 0.681 -0.976) 1.190 5.125 ( 0.000 0.880 0.293) 0.927 5.183 ( 0.000 2.137 1.663) 2.708 5.395 ( 0.000 -6.375 1.227) 6.492 5.568 ( -0.000 2.171 -1.929) 2.904 5.773 ( -0.000 1.344 -0.929) 1.634 5.818 ( -0.000 -3.244 -1.911) 3.765 5.980 ( -0.000 -5.005 -0.787) 5.067 6.079 ( 0.000 -3.026 2.939) 4.219 6.097 ( 0.000 -2.095 2.372) 3.164 6.379 ( -0.000 2.664 -0.571) 2.724 6.459 ( -0.000 -0.011 -2.853) 2.853 6.593 ( 0.000 0.478 5.426) 5.447 7.287 ( -0.000 -7.275 0.339) 7.283 7.312 ( -0.000 -1.647 0.156) 1.655 7.625 ( 0.000 -1.788 1.434) 2.292 8.308 ( -0.000 0.352 -1.468) 1.509 8.667 ( -0.000 0.121 -0.198) 0.232 8.917 ( -0.000 0.930 -1.510) 1.774 9.017 ( 0.000 1.094 -0.084) 1.098 9.493 ( 0.000 1.375 1.135) 1.783 9.543 ( 0.000 2.810 0.490) 2.852 9.893 ( 0.000 -0.515 2.512) 2.564 10.580 ( 0.000 -0.750 0.613) 0.968 10.648 ( 0.000 1.329 0.866) 1.586 11.462 ( 0.000 -2.734 2.726) 3.861======================= Grid point 21 (15/85) =======================q-point: ( 0.33 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.355 ( 17.964 16.655 2.114) 24.588 1.603 ( 8.594 16.787 13.662) 23.287 2.273 ( 3.890 28.254 7.408) 29.467 2.724 ( -0.322 -7.480 -5.692) 9.405 2.990 ( 1.040 3.396 -6.992) 7.843 3.232 ( -6.205 -2.488 0.466) 6.702 3.450 ( 0.669 1.743 3.062) 3.586 3.535 ( 2.442 1.980 -1.372) 3.430 4.041 ( -9.558 0.471 -3.372) 10.146 4.224 ( 1.747 0.575 -5.216) 5.531 4.408 ( 6.845 -1.435 3.189) 7.687 4.742 ( -0.639 -3.245 -4.680) 5.731 4.884 ( -1.494 -2.879 -0.924) 3.372 4.969 ( 1.356 -0.583 0.051) 1.477 5.111 ( -1.000 -1.122 -0.910) 1.757 5.211 ( -0.094 0.318 1.926) 1.954 5.327 ( -2.487 -3.655 1.136) 4.565 5.597 ( 1.272 2.162 -1.864) 3.125 5.703 ( -3.577 -2.216 -0.762) 4.276 5.803 ( -0.237 -1.667 -1.067) 1.993 5.938 ( -0.296 -1.738 -0.215) 1.776 6.069 ( -0.682 -1.723 1.691) 2.509 6.097 ( 1.610 -2.195 2.117) 3.448 6.399 ( -0.979 -1.503 -1.311) 2.222 6.450 ( 3.118 -0.178 -0.490) 3.161 6.623 ( -2.050 4.231 2.678) 5.410 7.208 ( -1.539 -7.171 0.785) 7.376 7.294 ( -0.504 -1.503 0.453) 1.649 7.612 ( -0.095 -1.819 0.735) 1.964 8.302 ( -0.051 0.178 -1.432) 1.444 8.675 ( 0.786 0.223 -0.175) 0.836 8.911 ( -0.573 0.020 -0.711) 0.913 9.030 ( 0.383 1.061 -0.068) 1.130 9.519 ( 0.782 1.247 1.027) 1.795 9.570 ( -0.332 2.772 0.739) 2.888 9.901 ( -0.043 -0.211 1.809) 1.822 10.579 ( 0.281 -0.723 0.553) 0.953 10.662 ( -0.371 1.225 0.968) 1.605 11.442 ( -0.960 -2.208 1.898) 3.065======================= Grid point 22 (16/85) =======================q-point: ( 0.44 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.822 ( 19.694 12.107 1.502) 23.167 1.984 ( 13.092 10.899 10.136) 19.822 2.444 ( -1.784 2.037 -8.395) 8.821 2.735 ( 2.132 6.581 3.564) 7.782 2.997 ( -2.031 3.159 -1.039) 3.897 3.147 ( -4.553 2.753 2.604) 5.923 3.460 ( -1.301 0.664 3.657) 3.938 3.588 ( 3.003 1.273 -2.739) 4.259 3.867 ( -8.398 -0.096 -3.803) 9.220 4.227 ( 2.279 -0.944 -4.695) 5.304 4.501 ( 3.673 -2.146 -0.949) 4.358 4.696 ( 0.012 -2.372 0.560) 2.437 4.829 ( -0.015 -3.817 -1.822) 4.229 4.966 ( -0.078 -1.127 0.782) 1.374 5.091 ( 1.051 -1.107 -1.017) 1.834 5.185 ( -3.437 -0.298 1.548) 3.781 5.293 ( -1.310 1.053 0.441) 1.737 5.559 ( -3.705 -1.050 -2.236) 4.453 5.701 ( 1.575 2.014 0.228) 2.567 5.768 ( 0.261 -2.390 -1.206) 2.690 5.929 ( 0.153 -0.686 0.460) 0.840 6.048 ( -0.978 -1.420 0.576) 1.818 6.119 ( 1.486 -1.086 1.689) 2.498 6.335 ( -2.392 -2.737 -0.968) 3.761 6.516 ( 3.227 0.497 1.113) 3.450 6.637 ( -1.189 3.699 -0.070) 3.886 7.114 ( -2.499 -6.530 0.891) 7.048 7.277 ( -0.798 -0.250 0.724) 1.106 7.598 ( 0.153 -1.671 0.034) 1.678 8.296 ( -0.008 0.218 -1.026) 1.048 8.691 ( 0.755 0.565 -0.156) 0.956 8.895 ( -0.559 -0.767 -0.270) 0.987 9.046 ( 0.428 0.798 -0.046) 0.907 9.546 ( 0.501 0.919 0.762) 1.295 9.593 ( -0.327 2.288 0.707) 2.417 9.907 ( -0.048 -0.188 1.014) 1.032 10.579 ( 0.100 -0.446 0.341) 0.570 10.670 ( -0.478 0.841 0.821) 1.269 11.415 ( -1.117 -1.446 1.067) 2.116======================= Grid point 23 (17/85) =======================q-point: ( 0.56 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.173 ( 4.207 4.063 -3.823) 6.987 2.243 ( 10.522 -1.721 0.124) 10.662 2.428 ( 5.811 8.975 2.232) 10.923 2.743 ( -7.868 -0.238 -0.088) 7.872 2.934 ( -4.971 -0.046 2.228) 5.448 3.131 ( -6.641 4.493 -0.409) 8.028 3.524 ( 1.268 5.193 3.143) 6.201 3.628 ( 3.742 -1.427 -1.320) 4.217 3.771 ( -1.098 1.564 2.217) 2.926 4.228 ( 3.747 -3.586 -3.559) 6.290 4.478 ( 1.165 -3.888 -3.600) 5.426 4.652 ( -3.231 -3.729 -0.146) 4.936 4.841 ( 5.252 -2.064 0.228) 5.647 4.992 ( 0.577 2.590 2.163) 3.423 5.093 ( -0.461 -0.031 -0.552) 0.720 5.143 ( -1.967 0.700 -0.121) 2.091 5.275 ( -2.821 1.677 0.693) 3.354 5.496 ( -2.562 2.796 -1.846) 4.217 5.712 ( 1.691 -4.081 -0.128) 4.420 5.784 ( 1.113 1.904 -0.268) 2.222 5.933 ( 1.211 -1.496 0.237) 1.939 6.017 ( -1.249 -1.058 0.373) 1.679 6.130 ( -0.405 -0.401 -0.362) 0.675 6.287 ( -0.367 -0.891 0.538) 1.103 6.549 ( -1.409 2.444 0.279) 2.835 6.669 ( 3.073 -0.893 0.187) 3.206 7.025 ( -1.786 -4.368 0.079) 4.719 7.270 ( -0.955 0.769 0.621) 1.374 7.588 ( 0.506 -1.296 -0.372) 1.440 8.297 ( 0.249 0.373 -0.370) 0.581 8.704 ( 0.064 0.857 -0.145) 0.872 8.880 ( 0.132 -1.111 -0.122) 1.126 9.056 ( 0.125 0.418 -0.025) 0.437 9.558 ( -0.271 0.609 0.404) 0.780 9.607 ( -0.624 1.387 0.581) 1.628 9.907 ( -0.152 -0.363 0.354) 0.529 10.578 ( -0.157 -0.057 0.092) 0.191 10.671 ( -0.536 0.334 0.513) 0.813 11.393 ( -0.678 -0.697 0.421) 1.060======================= Grid point 24 (18/85) =======================q-point: (-0.33 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.001 ( -12.213 -3.294 -5.432) 13.766 2.302 ( -15.244 -1.160 -0.442) 15.294 2.606 ( 7.368 2.617 -1.486) 7.959 2.702 ( 4.992 4.865 4.574) 8.337 2.871 ( -7.519 -2.661 1.541) 8.123 3.036 ( -3.111 4.365 -1.286) 5.512 3.470 ( -4.679 -5.933 -1.249) 7.659 3.679 ( 1.903 0.452 0.374) 1.992 3.924 ( 6.290 7.139 7.425) 12.069 4.262 ( 5.442 -2.601 -2.215) 6.426 4.478 ( 3.847 -1.661 -3.716) 5.601 4.559 ( -1.382 -3.513 -1.046) 3.917 4.910 ( 3.643 -0.460 0.877) 3.775 4.995 ( -2.808 -0.355 1.268) 3.101 5.075 ( -1.080 1.181 -0.438) 1.659 5.129 ( -0.581 -0.168 -0.144) 0.622 5.270 ( -0.484 2.437 0.364) 2.511 5.524 ( 1.889 4.738 -0.135) 5.102 5.705 ( 1.980 -3.598 -0.324) 4.119 5.797 ( -1.356 1.123 0.216) 1.774 5.926 ( 0.570 -2.559 -0.065) 2.623 6.017 ( 1.263 0.298 -0.079) 1.300 6.096 ( -2.062 -0.161 -1.124) 2.354 6.314 ( 2.536 0.579 1.025) 2.796 6.535 ( -2.736 2.267 -0.522) 3.591 6.687 ( 0.519 -3.280 0.958) 3.456 7.001 ( 2.699 -0.938 -0.738) 2.951 7.266 ( -0.585 0.670 0.282) 0.933 7.588 ( 0.759 -0.584 -0.360) 1.023 8.306 ( 0.541 0.309 0.081) 0.628 8.705 ( -0.690 0.602 -0.097) 0.921 8.880 ( 1.003 -0.719 -0.065) 1.236 9.057 ( -0.383 0.100 -0.005) 0.396 9.553 ( -1.045 0.267 0.068) 1.081 9.603 ( -1.295 0.490 0.394) 1.440 9.899 ( -0.424 -0.347 -0.029) 0.549 10.575 ( -0.188 0.157 -0.061) 0.252 10.664 ( -0.662 -0.023 0.203) 0.693 11.386 ( 0.088 -0.161 0.038) 0.187======================= Grid point 25 (19/85) =======================q-point: (-0.22 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.705 ( -19.798 0.000 0.000) 19.798 1.920 ( -26.241 0.000 0.000) 26.241 2.494 ( -24.516 0.000 0.000) 24.516 2.794 ( 9.836 -0.000 -0.000) 9.836 2.923 ( 9.218 -0.000 -0.000) 9.218 3.098 ( 4.605 -0.000 -0.000) 4.605 3.354 ( -3.471 0.000 0.000) 3.471 3.679 ( -2.494 0.000 0.000) 2.494 4.062 ( 2.586 -0.000 -0.000) 2.586 4.297 ( 1.222 -0.000 -0.000) 1.222 4.439 ( -3.482 0.000 0.000) 3.482 4.639 ( 9.603 -0.000 -0.000) 9.603 4.936 ( -0.555 0.000 0.000) 0.555 5.005 ( 5.093 -0.000 -0.000) 5.093 5.065 ( -1.285 0.000 0.000) 1.285 5.121 ( 0.422 -0.000 -0.000) 0.422 5.283 ( 0.304 -0.000 -0.000) 0.304 5.604 ( 3.483 -0.000 -0.000) 3.483 5.694 ( -1.072 0.000 0.000) 1.072 5.792 ( 0.924 -0.000 -0.000) 0.924 5.930 ( 1.780 -0.000 -0.000) 1.780 6.030 ( -0.094 0.000 0.000) 0.094 6.071 ( -0.379 0.000 0.000) 0.379 6.371 ( 3.414 -0.000 -0.000) 3.414 6.498 ( -2.970 0.000 0.000) 2.970 6.649 ( -2.867 0.000 0.000) 2.867 7.076 ( 6.526 -0.000 -0.000) 6.526 7.269 ( 0.568 -0.000 -0.000) 0.568 7.597 ( 0.776 -0.000 -0.000) 0.776 8.318 ( 0.563 -0.000 -0.000) 0.563 8.694 ( -0.891 0.000 0.000) 0.891 8.897 ( 1.382 -0.000 -0.000) 1.382 9.046 ( -0.854 0.000 0.000) 0.854 9.533 ( -1.538 0.000 0.000) 1.538 9.579 ( -1.890 0.000 0.000) 1.890 9.887 ( -0.746 0.000 0.000) 0.746 10.574 ( -0.024 0.000 0.000) 0.024 10.653 ( -0.751 0.000 0.000) 0.751 11.393 ( 0.822 -0.000 -0.000) 0.822======================= Grid point 30 (20/85) =======================q-point: ( 0.33 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.364 ( 0.000 15.239 2.155) 15.391 1.756 ( 0.000 14.914 11.402) 18.773 2.452 ( -0.000 4.578 -3.836) 5.973 2.719 ( 0.000 12.686 6.133) 14.091 2.971 ( -0.000 3.632 -7.017) 7.902 3.238 ( -0.000 -6.214 -0.475) 6.232 3.501 ( 0.000 9.525 -0.579) 9.543 3.539 ( 0.000 0.159 2.768) 2.773 4.164 ( -0.000 -0.766 -3.627) 3.707 4.168 ( -0.000 2.175 -3.355) 3.999 4.305 ( 0.000 -4.492 2.001) 4.918 4.689 ( -0.000 -1.995 -5.735) 6.072 4.880 ( 0.000 -2.121 0.540) 2.188 4.949 ( -0.000 0.057 -0.592) 0.594 5.101 ( -0.000 -3.175 -0.681) 3.247 5.214 ( 0.000 -0.192 0.758) 0.782 5.335 ( 0.000 -1.640 2.309) 2.832 5.561 ( -0.000 -4.259 -3.720) 5.655 5.709 ( 0.000 -2.105 0.388) 2.140 5.785 ( -0.000 0.720 -0.746) 1.037 5.941 ( 0.000 -0.354 0.370) 0.512 6.062 ( 0.000 -1.615 1.986) 2.560 6.075 ( 0.000 -1.897 1.134) 2.210 6.390 ( -0.000 -2.845 -1.645) 3.287 6.412 ( -0.000 1.350 -0.380) 1.403 6.705 ( 0.000 5.036 2.653) 5.692 7.158 ( -0.000 -6.687 0.713) 6.725 7.283 ( -0.000 -1.471 0.139) 1.477 7.599 ( 0.000 -2.032 0.575) 2.112 8.296 ( -0.000 0.029 -1.292) 1.292 8.667 ( -0.000 0.087 -0.175) 0.195 8.914 ( -0.000 -0.061 -0.456) 0.460 9.037 ( 0.000 1.002 -0.050) 1.003 9.530 ( 0.000 1.215 0.969) 1.554 9.603 ( 0.000 2.471 0.794) 2.595 9.910 ( 0.000 -0.080 1.484) 1.486 10.572 ( 0.000 -0.712 0.539) 0.893 10.683 ( 0.000 1.155 0.958) 1.501 11.438 ( 0.000 -2.127 1.541) 2.627======================= Grid point 31 (21/85) =======================q-point: ( 0.44 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.634 ( 15.175 9.821 1.935) 18.179 1.981 ( 5.546 10.620 6.900) 13.826 2.392 ( 0.298 -6.162 -4.820) 7.828 2.882 ( -4.052 13.569 2.051) 14.309 2.995 ( 2.559 3.046 -3.023) 4.997 3.201 ( 1.449 -0.605 1.478) 2.156 3.536 ( -2.041 -0.289 3.756) 4.285 3.590 ( -0.731 8.860 0.484) 8.903 4.010 ( -10.713 -1.075 -1.505) 10.871 4.146 ( 0.886 -3.370 -5.540) 6.544 4.393 ( 7.590 -1.535 0.245) 7.747 4.651 ( 1.003 -1.028 -4.034) 4.282 4.842 ( -3.834 -1.717 1.110) 4.346 4.959 ( 1.130 0.383 0.422) 1.266 5.057 ( 0.054 -2.137 -0.720) 2.255 5.222 ( 0.080 -0.466 0.546) 0.722 5.319 ( -1.439 0.173 1.269) 1.926 5.498 ( 2.655 -8.281 -3.245) 9.282 5.718 ( 0.110 3.243 0.508) 3.285 5.772 ( -2.192 -0.331 -0.575) 2.290 5.926 ( -0.395 -0.790 -0.199) 0.905 6.057 ( -0.834 -1.041 1.322) 1.878 6.086 ( 2.167 -0.904 1.252) 2.661 6.343 ( -1.817 -1.675 -0.803) 2.598 6.452 ( 3.538 0.053 0.082) 3.539 6.733 ( -3.321 4.569 0.807) 5.706 7.092 ( -1.450 -5.577 0.723) 5.807 7.277 ( 0.545 -0.718 0.448) 1.007 7.582 ( -0.091 -1.658 0.087) 1.663 8.291 ( 0.135 0.030 -0.905) 0.916 8.676 ( 1.043 0.120 -0.139) 1.059 8.903 ( -0.924 -0.290 -0.203) 0.989 9.047 ( 0.271 0.717 -0.029) 0.767 9.549 ( 0.488 0.830 0.677) 1.177 9.624 ( -0.392 1.852 0.633) 1.996 9.914 ( -0.256 -0.026 0.898) 0.934 10.572 ( 0.332 -0.515 0.347) 0.704 10.692 ( -0.565 0.833 0.736) 1.247 11.422 ( -0.693 -1.431 0.926) 1.840======================= Grid point 32 (22/85) =======================q-point: ( 0.56 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.998 ( 18.624 4.126 1.074) 19.106 2.147 ( 2.475 2.285 -0.656) 3.432 2.370 ( 5.411 -1.563 0.733) 5.680 2.876 ( -5.609 5.078 -1.191) 7.659 3.029 ( -1.569 1.306 0.152) 2.047 3.228 ( -2.404 1.369 -0.037) 2.767 3.529 ( 0.395 -1.529 2.936) 3.334 3.645 ( -2.891 6.871 0.222) 7.457 3.864 ( -5.281 2.234 2.935) 6.442 4.089 ( 2.300 -6.862 -5.810) 9.280 4.439 ( 0.542 -1.165 -1.324) 1.845 4.666 ( 0.156 -1.325 -0.768) 1.540 4.759 ( 0.110 -1.993 0.419) 2.039 5.011 ( 1.946 2.884 1.427) 3.761 5.067 ( 1.940 -0.144 -0.620) 2.042 5.197 ( -2.875 0.446 -0.125) 2.912 5.316 ( -0.832 0.435 0.625) 1.128 5.475 ( 3.997 -4.095 -1.723) 5.976 5.697 ( -4.146 -1.053 -0.214) 4.283 5.777 ( 2.229 2.719 -0.195) 3.522 5.916 ( -0.044 -1.268 0.028) 1.269 6.036 ( -1.507 -0.513 0.707) 1.742 6.117 ( 1.471 -0.400 0.349) 1.564 6.299 ( -1.759 -0.517 -0.021) 1.834 6.520 ( 4.636 -0.408 0.264) 4.661 6.701 ( -4.368 2.320 -0.136) 4.947 7.021 ( -2.091 -3.233 0.265) 3.859 7.286 ( 0.164 0.188 0.519) 0.576 7.569 ( 0.190 -0.961 -0.205) 1.001 8.292 ( 0.360 0.119 -0.366) 0.527 8.697 ( 1.245 0.227 -0.091) 1.268 8.881 ( -1.078 -0.388 -0.063) 1.148 9.057 ( 0.257 0.325 -0.013) 0.415 9.565 ( 0.296 0.379 0.317) 0.576 9.631 ( -0.627 0.970 0.335) 1.203 9.911 ( -0.424 -0.106 0.338) 0.553 10.575 ( 0.291 -0.204 0.115) 0.373 10.689 ( -0.854 0.371 0.369) 1.001 11.402 ( -0.858 -0.596 0.354) 1.104======================= Grid point 33 (23/85) =======================q-point: (-0.33 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.109 ( -4.906 0.000 0.000) 4.906 2.295 ( 12.808 -0.000 -0.000) 12.808 2.510 ( 9.168 -0.000 -0.000) 9.168 2.764 ( -10.789 0.000 0.000) 10.789 2.975 ( -4.079 0.000 0.000) 4.079 3.151 ( -7.529 0.000 0.000) 7.529 3.521 ( -3.344 0.000 0.000) 3.344 3.630 ( 1.690 -0.000 -0.000) 1.690 3.915 ( 3.047 -0.000 -0.000) 3.047 4.094 ( 7.493 -0.000 -0.000) 7.493 4.429 ( 0.400 -0.000 -0.000) 0.400 4.595 ( -4.404 0.000 0.000) 4.404 4.831 ( 5.780 -0.000 -0.000) 5.780 5.047 ( -0.937 0.000 0.000) 0.937 5.087 ( 0.539 -0.000 -0.000) 0.539 5.149 ( -2.672 0.000 0.000) 2.672 5.298 ( -1.361 0.000 0.000) 1.361 5.518 ( 2.255 -0.000 -0.000) 2.255 5.646 ( 0.416 -0.000 -0.000) 0.416 5.825 ( 0.772 -0.000 -0.000) 0.772 5.901 ( -0.076 0.000 0.000) 0.076 6.013 ( -0.808 0.000 0.000) 0.808 6.120 ( -0.992 0.000 0.000) 0.992 6.288 ( 0.851 -0.000 -0.000) 0.851 6.576 ( 0.717 -0.000 -0.000) 0.717 6.658 ( -0.547 0.000 0.000) 0.547 6.980 ( -0.840 0.000 0.000) 0.840 7.284 ( -0.792 0.000 0.000) 0.792 7.571 ( 0.684 -0.000 -0.000) 0.684 8.299 ( 0.507 -0.000 -0.000) 0.507 8.712 ( 0.305 -0.000 -0.000) 0.305 8.867 ( -0.087 0.000 0.000) 0.087 9.060 ( -0.003 0.000 0.000) 0.003 9.567 ( -0.408 0.000 0.000) 0.408 9.624 ( -0.907 0.000 0.000) 0.907 9.904 ( -0.410 0.000 0.000) 0.410 10.577 ( 0.007 -0.000 -0.000) 0.007 10.677 ( -0.834 0.000 0.000) 0.834 11.389 ( -0.535 0.000 0.000) 0.535======================= Grid point 40 (24/85) =======================q-point: ( 0.44 0.44 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.585 ( 0.000 5.619 1.224) 5.751 2.059 ( 0.000 8.028 3.637) 8.813 2.305 ( -0.000 -6.303 -2.169) 6.666 2.966 ( -0.000 1.835 -3.394) 3.859 3.080 ( 0.000 9.719 2.591) 10.058 3.139 ( -0.000 -3.016 -0.360) 3.038 3.567 ( 0.000 0.105 1.583) 1.587 3.714 ( 0.000 10.310 3.276) 10.818 4.033 ( -0.000 -8.138 -3.367) 8.807 4.173 ( -0.000 1.010 -1.544) 1.845 4.266 ( -0.000 -0.439 -0.011) 0.439 4.616 ( -0.000 -0.484 -3.188) 3.224 4.909 ( 0.000 3.283 1.813) 3.750 4.941 ( -0.000 -0.260 -0.163) 0.307 5.036 ( -0.000 -2.090 -0.062) 2.091 5.192 ( -0.000 -3.079 0.292) 3.093 5.350 ( 0.000 0.387 0.943) 1.019 5.370 ( -0.000 -6.377 -2.897) 7.004 5.750 ( 0.000 2.411 0.504) 2.463 5.785 ( -0.000 0.050 -0.334) 0.338 5.923 ( -0.000 -1.227 -0.436) 1.302 6.059 ( 0.000 -0.399 0.673) 0.782 6.067 ( 0.000 -0.468 0.890) 1.005 6.346 ( -0.000 -0.771 -0.085) 0.776 6.424 ( -0.000 0.350 -0.145) 0.379 6.804 ( 0.000 3.092 0.172) 3.097 7.066 ( 0.000 -3.417 0.765) 3.502 7.264 ( -0.000 -0.580 0.058) 0.583 7.571 ( -0.000 -0.984 0.060) 0.985 8.285 ( -0.000 -0.043 -0.510) 0.512 8.667 ( -0.000 0.028 -0.071) 0.076 8.909 ( -0.000 -0.131 -0.098) 0.164 9.050 ( 0.000 0.405 -0.014) 0.405 9.554 ( 0.000 0.484 0.376) 0.613 9.643 ( 0.000 0.955 0.360) 1.021 9.921 ( 0.000 0.050 0.480) 0.483 10.567 ( 0.000 -0.296 0.213) 0.365 10.707 ( 0.000 0.466 0.414) 0.624 11.420 ( 0.000 -0.835 0.494) 0.970======================= Grid point 41 (25/85) =======================q-point: (-0.44 -0.56 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.741 ( 14.180 -0.000 -0.000) 14.180 2.132 ( 1.953 -0.000 -0.000) 1.953 2.284 ( 2.816 -0.000 -0.000) 2.816 2.969 ( -1.663 0.000 0.000) 1.663 3.034 ( -2.253 0.000 0.000) 2.253 3.227 ( 4.032 -0.000 -0.000) 4.032 3.549 ( -2.226 0.000 0.000) 2.226 3.763 ( -3.552 0.000 0.000) 3.552 3.952 ( -2.182 0.000 0.000) 2.182 4.053 ( -6.711 0.000 0.000) 6.711 4.379 ( 6.586 -0.000 -0.000) 6.586 4.617 ( 2.047 -0.000 -0.000) 2.047 4.829 ( -7.323 0.000 0.000) 7.323 4.993 ( 2.467 -0.000 -0.000) 2.467 5.036 ( 1.374 -0.000 -0.000) 1.374 5.213 ( 2.115 -0.000 -0.000) 2.115 5.322 ( 0.095 -0.000 -0.000) 0.095 5.374 ( 2.305 -0.000 -0.000) 2.305 5.760 ( -1.500 0.000 0.000) 1.500 5.770 ( -0.970 0.000 0.000) 0.970 5.908 ( -0.151 0.000 0.000) 0.151 6.056 ( -0.818 0.000 0.000) 0.818 6.085 ( 2.062 -0.000 -0.000) 2.062 6.327 ( -1.732 0.000 0.000) 1.732 6.452 ( 3.109 -0.000 -0.000) 3.109 6.786 ( -3.805 0.000 0.000) 3.805 7.037 ( -1.582 0.000 0.000) 1.582 7.274 ( 1.234 -0.000 -0.000) 1.234 7.564 ( -0.179 0.000 0.000) 0.179 8.286 ( 0.274 -0.000 -0.000) 0.274 8.676 ( 1.128 -0.000 -0.000) 1.128 8.898 ( -1.044 0.000 0.000) 1.044 9.054 ( 0.226 -0.000 -0.000) 0.226 9.561 ( 0.392 -0.000 -0.000) 0.392 9.645 ( -0.370 0.000 0.000) 0.370 9.919 ( -0.391 0.000 0.000) 0.391 10.569 ( 0.340 -0.000 -0.000) 0.340 10.705 ( -0.623 0.000 0.000) 0.623 11.413 ( -0.594 0.000 0.000) 0.594======================= Grid point 93 (26/85) =======================q-point: ( 0.11 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 85Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.318 ( 0.000 -0.000 18.993) 18.993 0.318 ( 0.000 -0.000 18.993) 18.993 0.721 ( 0.000 -0.000 42.955) 42.955 2.984 ( -0.000 0.000 -9.321) 9.321 2.984 ( -0.000 0.000 -9.321) 9.321 3.371 ( 0.000 -0.000 1.529) 1.529 3.371 ( 0.000 -0.000 1.529) 1.529 3.480 ( -0.000 0.000 -0.402) 0.402 4.224 ( -0.000 0.000 -5.193) 5.193 4.249 ( 0.000 0.000 0.476) 0.476 4.249 ( 0.000 -0.000 0.476) 0.476 4.934 ( -0.000 0.000 -1.861) 1.861 4.934 ( -0.000 0.000 -1.861) 1.861 4.972 ( 0.000 -0.000 2.221) 2.221 5.084 ( 0.000 -0.000 1.629) 1.629 5.084 ( 0.000 -0.000 1.629) 1.629 5.540 ( 0.000 -0.000 0.364) 0.364 5.584 ( -0.000 0.000 -1.908) 1.908 5.745 ( -0.000 0.000 -1.997) 1.997 5.745 ( -0.000 0.000 -1.997) 1.997 6.156 ( 0.000 -0.000 2.389) 2.389 6.156 ( 0.000 -0.000 2.389) 2.389 6.294 ( 0.000 0.000 0.035) 0.035 6.294 ( 0.000 -0.000 0.035) 0.035 6.366 ( -0.000 0.000 -5.372) 5.372 6.951 ( 0.000 -0.000 1.223) 1.223 7.344 ( -0.000 0.000 -0.178) 0.178 7.344 ( -0.000 0.000 -0.178) 0.178 7.782 ( 0.000 -0.000 0.685) 0.685 8.311 ( -0.000 0.000 -0.551) 0.551 8.666 ( -0.000 0.000 -0.053) 0.053 8.666 ( -0.000 0.000 -0.053) 0.053 8.993 ( -0.000 0.000 -0.112) 0.112 9.457 ( 0.000 -0.000 1.224) 1.224 9.457 ( 0.000 -0.000 1.224) 1.224 9.964 ( 0.000 -0.000 2.409) 2.409 10.595 ( 0.000 -0.000 0.802) 0.802 10.595 ( 0.000 -0.000 0.802) 0.802 11.644 ( 0.000 -0.000 0.693) 0.693======================= Grid point 94 (27/85) =======================q-point: ( 0.22 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.773 ( 26.595 15.355 8.388) 31.834 0.806 ( 22.084 12.750 13.434) 28.822 1.147 ( 17.969 10.375 32.147) 38.262 2.918 ( -1.023 -0.591 -11.826) 11.885 2.991 ( 3.145 1.815 -9.620) 10.282 3.284 ( -4.840 -2.794 -0.800) 5.645 3.444 ( 2.345 1.354 1.705) 3.200 3.474 ( 0.419 0.242 0.163) 0.510 4.116 ( -6.533 -3.772 -1.541) 7.700 4.235 ( 1.154 0.666 -5.780) 5.931 4.349 ( 4.796 2.769 2.826) 6.218 4.894 ( -3.498 -2.019 -3.050) 5.061 4.931 ( 0.677 0.391 -2.789) 2.897 4.972 ( 0.955 0.551 1.850) 2.154 5.089 ( -0.153 -0.088 1.812) 1.820 5.142 ( 2.511 1.450 0.754) 2.996 5.501 ( -3.818 -2.204 0.374) 4.425 5.553 ( -0.098 -0.057 -1.477) 1.481 5.741 ( 0.670 0.387 -1.917) 2.067 5.791 ( 1.320 0.762 -4.362) 4.621 6.091 ( -3.959 -2.286 1.183) 4.722 6.103 ( -6.501 -3.753 1.799) 7.719 6.224 ( -1.098 -0.634 4.053) 4.247 6.357 ( 3.076 1.776 1.149) 3.733 6.384 ( 3.020 1.744 -3.015) 4.610 6.685 ( -10.007 -5.778 8.167) 14.150 7.328 ( -1.173 -0.677 -0.329) 1.394 7.413 ( -0.480 -0.277 -1.139) 1.267 7.676 ( -3.869 -2.234 4.020) 6.010 8.300 ( 0.125 0.072 -1.331) 1.339 8.669 ( 0.206 0.119 -0.011) 0.238 8.844 ( 6.066 3.502 -5.385) 8.836 8.999 ( 0.603 0.348 -0.130) 0.709 9.473 ( 0.745 0.430 1.439) 1.677 9.487 ( 1.525 0.881 0.309) 1.788 9.924 ( -2.416 -1.395 4.416) 5.224 10.598 ( -0.285 -0.164 1.023) 1.075 10.616 ( 0.923 0.533 0.379) 1.131 11.534 ( -5.049 -2.915 4.821) 7.565======================= Grid point 95 (28/85) =======================q-point: ( 0.33 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.343 ( 21.563 12.449 8.717) 26.380 1.351 ( 21.361 12.333 10.761) 26.911 1.791 ( 26.654 15.389 18.778) 36.054 2.799 ( -3.705 -2.139 -13.155) 13.834 2.998 ( 1.141 0.659 -5.948) 6.092 3.165 ( -5.304 -3.062 -0.363) 6.135 3.482 ( 0.468 0.270 -1.159) 1.279 3.521 ( 3.793 2.190 0.056) 4.381 3.942 ( -8.391 -4.845 -0.520) 9.703 4.229 ( 1.368 0.790 -6.015) 6.219 4.472 ( 4.751 2.743 2.644) 6.090 4.792 ( -3.525 -2.035 -3.640) 5.461 4.929 ( 0.823 0.475 -3.733) 3.852 5.002 ( 0.530 0.306 2.179) 2.263 5.094 ( -0.373 -0.216 1.950) 1.997 5.193 ( 2.081 1.201 -0.454) 2.445 5.380 ( -7.365 -4.252 0.623) 8.527 5.560 ( 0.109 0.063 -1.462) 1.467 5.724 ( -3.354 -1.936 -3.145) 4.988 5.751 ( 0.993 0.573 -1.109) 1.595 6.024 ( -2.481 -1.433 0.793) 2.973 6.043 ( -0.527 -0.304 0.243) 0.655 6.201 ( -2.667 -1.540 3.007) 4.304 6.420 ( 2.122 1.225 0.962) 2.632 6.446 ( 0.752 0.434 2.670) 2.808 6.573 ( -1.877 -1.084 -0.193) 2.176 7.294 ( -1.633 -0.943 -0.262) 1.904 7.341 ( -5.361 -3.095 1.635) 6.403 7.643 ( -1.193 -0.689 1.520) 2.051 8.295 ( 0.142 0.082 -1.643) 1.651 8.674 ( 0.243 0.140 -0.029) 0.282 8.897 ( 1.612 0.931 -2.063) 2.778 9.016 ( 0.944 0.545 -0.127) 1.097 9.501 ( 0.990 0.572 1.324) 1.749 9.522 ( 1.497 0.864 0.565) 1.818 9.912 ( -0.788 -0.455 2.778) 2.924 10.594 ( -0.595 -0.343 0.962) 1.182 10.637 ( 0.762 0.440 0.657) 1.098 11.473 ( -2.933 -1.694 2.799) 4.394======================= Grid point 96 (29/85) =======================q-point: ( 0.44 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.820 ( 19.187 11.078 4.094) 22.530 1.828 ( 17.094 9.869 8.095) 21.334 2.430 ( 22.102 12.761 12.428) 28.386 2.622 ( -5.686 -3.283 -11.446) 13.195 2.953 ( -4.408 -2.545 0.222) 5.094 3.070 ( -3.450 -1.992 1.470) 4.246 3.423 ( -3.840 -2.217 -6.611) 7.960 3.622 ( 5.301 3.061 -1.459) 6.293 3.797 ( -3.766 -2.174 0.882) 4.437 4.235 ( 1.797 1.037 -3.908) 4.425 4.567 ( 3.100 1.790 -0.471) 3.610 4.718 ( -1.749 -1.010 -1.898) 2.772 4.933 ( 1.417 0.818 -3.132) 3.534 5.021 ( 0.320 0.185 2.159) 2.190 5.092 ( -1.004 -0.580 2.153) 2.445 5.207 ( -8.305 -4.795 1.585) 9.720 5.217 ( 0.534 0.309 -2.697) 2.767 5.472 ( -6.103 -3.524 -1.661) 7.240 5.718 ( 3.125 1.804 -0.927) 3.726 5.769 ( 0.863 0.498 -0.385) 1.069 5.993 ( -0.851 -0.491 0.650) 1.178 6.033 ( -0.746 -0.431 -0.214) 0.887 6.161 ( -1.789 -1.033 1.032) 2.310 6.387 ( -5.112 -2.951 2.330) 6.346 6.458 ( 0.995 0.574 0.385) 1.211 6.635 ( 5.417 3.128 -0.626) 6.287 7.219 ( -6.380 -3.683 1.702) 7.561 7.260 ( -1.354 -0.782 -0.024) 1.564 7.629 ( -0.688 -0.397 0.371) 0.877 8.289 ( 0.089 0.051 -1.242) 1.247 8.679 ( 0.178 0.103 -0.098) 0.227 8.909 ( 0.337 0.195 -0.742) 0.838 9.036 ( 0.856 0.494 -0.106) 0.994 9.526 ( 0.697 0.403 0.968) 1.259 9.556 ( 1.169 0.675 0.898) 1.622 9.914 ( -0.175 -0.101 1.386) 1.400 10.584 ( -0.691 -0.399 0.628) 1.015 10.655 ( 0.471 0.272 0.761) 0.935 11.430 ( -2.074 -1.198 1.482) 2.817======================= Grid point 97 (30/85) =======================q-point: ( 0.56 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.087 ( 1.287 0.743 -3.946) 4.217 2.217 ( 16.398 9.468 -2.091) 19.050 2.523 ( 3.551 2.050 1.162) 4.261 2.621 ( -11.209 -6.471 -3.619) 13.439 2.915 ( -0.667 -0.385 7.457) 7.496 3.035 ( -1.151 -0.664 3.515) 3.757 3.365 ( 3.709 2.142 3.021) 5.242 3.702 ( 2.601 1.502 -3.739) 4.796 3.785 ( 1.370 0.791 1.016) 1.881 4.264 ( 2.004 1.157 -1.316) 2.662 4.593 ( 0.606 0.350 -5.125) 5.173 4.690 ( -0.468 -0.270 -0.690) 0.876 4.948 ( 0.433 0.250 -1.727) 1.798 5.043 ( 0.192 0.111 1.424) 1.442 5.046 ( -2.577 -1.488 0.909) 3.112 5.114 ( -1.567 -0.905 4.937) 5.258 5.175 ( -1.634 -0.944 -3.950) 4.378 5.370 ( -1.618 -0.934 -0.290) 1.890 5.781 ( 0.370 0.214 -0.050) 0.430 5.784 ( 2.208 1.275 -0.415) 2.583 5.988 ( -0.090 -0.052 0.785) 0.792 6.012 ( -0.612 -0.354 -0.309) 0.772 6.126 ( -1.766 -1.020 -1.943) 2.817 6.313 ( -1.881 -1.086 1.610) 2.704 6.469 ( 0.099 0.057 -0.241) 0.267 6.745 ( 3.898 2.251 1.272) 4.678 7.096 ( -4.862 -2.807 0.055) 5.614 7.240 ( -0.461 -0.266 0.255) 0.591 7.616 ( -0.436 -0.252 -0.482) 0.696 8.289 ( 0.428 0.247 -0.421) 0.649 8.681 ( 0.058 0.033 -0.185) 0.197 8.909 ( 0.068 0.039 -0.337) 0.346 9.049 ( 0.369 0.213 -0.067) 0.431 9.539 ( 0.005 0.003 0.535) 0.535 9.579 ( 0.362 0.209 1.167) 1.240 9.915 ( -0.263 -0.152 0.457) 0.548 10.573 ( -0.500 -0.289 0.169) 0.602 10.664 ( 0.006 0.004 0.738) 0.738 11.401 ( -1.073 -0.619 0.633) 1.391======================= Grid point 98 (31/85) =======================q-point: (-0.33 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.884 ( -12.291 -7.096 -10.606) 17.718 2.170 ( -21.119 -12.193 -6.295) 25.186 2.550 ( 11.717 6.765 -6.149) 14.862 2.749 ( 10.739 6.200 8.723) 15.161 2.757 ( -14.064 -8.120 3.696) 16.655 3.051 ( 0.298 0.172 4.940) 4.952 3.531 ( 3.589 2.072 6.870) 8.024 3.678 ( -2.336 -1.349 -5.256) 5.907 3.860 ( 4.154 2.398 5.522) 7.315 4.298 ( 1.170 0.676 0.960) 1.657 4.530 ( -3.034 -1.752 -7.675) 8.436 4.690 ( 1.413 0.816 -1.287) 2.078 4.959 ( 2.269 1.310 -1.267) 2.910 5.002 ( -2.714 -1.567 -1.160) 3.342 5.048 ( 1.361 0.786 0.315) 1.603 5.136 ( 0.671 0.388 6.042) 6.092 5.187 ( 2.536 1.464 -2.280) 3.711 5.406 ( 4.907 2.833 1.757) 5.932 5.782 ( -1.903 -1.099 -0.756) 2.324 5.785 ( -0.029 -0.017 0.233) 0.235 5.993 ( 0.070 0.040 0.949) 0.952 6.017 ( 0.783 0.452 -0.266) 0.943 6.064 ( -1.612 -0.930 -3.924) 4.343 6.329 ( 2.067 1.193 1.581) 2.863 6.461 ( -0.608 -0.351 -0.676) 0.974 6.773 ( -3.017 -1.742 2.226) 4.134 7.053 ( 2.231 1.288 -1.837) 3.164 7.244 ( 0.647 0.373 0.453) 0.873 7.606 ( -0.048 -0.028 -0.975) 0.977 8.302 ( 0.766 0.442 0.203) 0.908 8.679 ( -0.065 -0.038 -0.250) 0.261 8.911 ( 0.274 0.158 -0.179) 0.364 9.050 ( -0.291 -0.168 -0.023) 0.336 9.532 ( -0.788 -0.455 0.192) 0.930 9.583 ( -0.654 -0.378 1.311) 1.513 9.905 ( -0.742 -0.428 -0.066) 0.859 10.566 ( -0.099 -0.057 -0.183) 0.216 10.663 ( -0.473 -0.273 0.666) 0.861 11.392 ( 0.016 0.009 0.174) 0.175======================= Grid point 99 (32/85) =======================q-point: (-0.22 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.501 ( -17.572 -10.145 -9.155) 22.260 1.633 ( -24.355 -14.062 -4.775) 28.526 2.296 ( -26.153 -15.099 6.076) 30.804 2.812 ( 11.244 6.492 -7.246) 14.868 3.011 ( 7.941 4.585 6.236) 11.089 3.097 ( 2.077 1.199 5.976) 6.439 3.531 ( -4.145 -2.393 0.092) 4.787 3.573 ( -4.130 -2.385 -4.222) 6.369 4.005 ( 4.353 2.513 9.709) 10.933 4.327 ( 0.988 0.570 0.695) 1.336 4.404 ( -3.965 -2.289 -8.378) 9.547 4.756 ( 5.114 2.953 -0.687) 5.945 4.952 ( -1.237 -0.714 -1.800) 2.298 4.985 ( 0.380 0.219 -1.724) 1.779 5.094 ( 1.073 0.620 2.291) 2.605 5.195 ( -0.680 -0.393 -1.333) 1.548 5.224 ( 5.614 3.241 2.860) 7.085 5.569 ( 5.960 3.441 2.989) 7.503 5.734 ( -0.134 -0.078 -0.758) 0.774 5.784 ( -0.228 -0.132 0.586) 0.643 6.002 ( 0.171 0.099 -4.476) 4.480 6.004 ( 0.572 0.330 1.110) 1.292 6.053 ( 0.444 0.256 0.022) 0.513 6.401 ( 3.408 1.968 1.431) 4.187 6.435 ( -1.402 -0.809 -0.824) 1.816 6.671 ( -5.948 -3.434 0.310) 6.876 7.146 ( 6.065 3.501 -1.146) 7.096 7.270 ( 1.459 0.842 0.503) 1.758 7.605 ( 0.408 0.236 -0.821) 0.947 8.319 ( 0.559 0.323 0.191) 0.673 8.675 ( -0.151 -0.087 -0.261) 0.314 8.920 ( 0.589 0.340 0.002) 0.680 9.037 ( -0.802 -0.463 -0.001) 0.926 9.509 ( -1.317 -0.760 0.086) 1.523 9.566 ( -1.474 -0.851 1.215) 2.091 9.885 ( -1.009 -0.582 -0.147) 1.174 10.567 ( 0.297 0.172 -0.249) 0.424 10.652 ( -0.811 -0.468 0.606) 1.116 11.403 ( 0.835 0.482 0.169) 0.979======================= Grid point 100 (33/85) =======================q-point: (-0.11 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.030 ( -21.653 -12.501 -6.174) 25.754 1.091 ( -24.240 -13.995 2.764) 28.126 1.677 ( -33.851 -19.544 8.865) 40.080 2.986 ( 7.993 4.615 -6.800) 11.464 3.072 ( -0.239 -0.138 -1.870) 1.890 3.270 ( 6.659 3.844 8.071) 11.147 3.413 ( -4.960 -2.863 -2.481) 6.241 3.482 ( -2.496 -1.441 -1.211) 3.127 4.132 ( 3.030 1.749 6.732) 7.587 4.284 ( -2.695 -1.556 -7.381) 8.010 4.343 ( 0.293 0.169 -0.424) 0.542 4.878 ( 5.443 3.143 -0.490) 6.304 4.923 ( -0.474 -0.274 -1.492) 1.589 4.971 ( -0.548 -0.316 -1.566) 1.689 5.103 ( -1.023 -0.591 2.278) 2.566 5.158 ( -2.298 -1.326 0.606) 2.721 5.379 ( 6.707 3.872 0.667) 7.773 5.595 ( -1.272 -0.735 -0.926) 1.737 5.779 ( -0.566 -0.327 0.256) 0.702 5.826 ( 4.740 2.737 1.203) 5.604 6.012 ( 2.632 1.520 -3.213) 4.423 6.039 ( 2.067 1.193 1.753) 2.961 6.061 ( 0.556 0.321 1.337) 1.483 6.390 ( -2.345 -1.354 -0.778) 2.817 6.477 ( 1.868 1.079 1.562) 2.663 6.548 ( -4.041 -2.333 -0.689) 4.717 7.284 ( 6.711 3.874 -0.326) 7.756 7.307 ( 1.564 0.903 0.378) 1.845 7.613 ( 0.433 0.250 0.028) 0.500 8.324 ( -0.106 -0.061 -0.366) 0.386 8.670 ( -0.161 -0.093 -0.216) 0.285 8.933 ( 0.500 0.289 -0.307) 0.654 9.018 ( -0.918 -0.530 -0.021) 1.060 9.480 ( -1.321 -0.762 0.303) 1.555 9.535 ( -1.765 -1.019 0.616) 2.129 9.866 ( -0.656 -0.379 0.628) 0.984 10.575 ( 0.485 0.280 -0.012) 0.560 10.636 ( -0.899 -0.519 0.521) 1.161 11.428 ( 1.208 0.697 1.008) 1.721======================= Grid point 103 (34/85) =======================q-point: ( 0.22 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.625 ( 0.000 17.174 11.355) 20.589 0.987 ( 0.000 26.519 16.727) 31.354 1.352 ( 0.000 20.891 29.671) 36.288 2.887 ( -0.000 -0.223 -12.006) 12.008 2.892 ( -0.000 1.940 -10.345) 10.525 3.307 ( -0.000 -1.458 -1.520) 2.106 3.432 ( -0.000 -0.840 -1.702) 1.898 3.471 ( 0.000 1.476 1.705) 2.255 4.159 ( -0.000 0.197 -5.230) 5.233 4.183 ( -0.000 -2.859 -0.196) 2.865 4.343 ( 0.000 3.068 2.160) 3.752 4.861 ( -0.000 -4.782 -4.586) 6.626 4.928 ( -0.000 0.967 -0.950) 1.355 4.976 ( 0.000 -0.476 0.678) 0.829 5.107 ( 0.000 0.759 0.323) 0.825 5.140 ( 0.000 2.946 1.141) 3.159 5.504 ( -0.000 -4.205 0.453) 4.229 5.544 ( -0.000 -0.645 -1.030) 1.215 5.735 ( -0.000 1.555 -2.155) 2.657 5.781 ( -0.000 3.931 -4.065) 5.654 6.104 ( -0.000 -6.139 0.524) 6.162 6.167 ( 0.000 -3.907 3.890) 5.513 6.176 ( -0.000 -5.749 0.527) 5.773 6.316 ( -0.000 3.454 -0.598) 3.505 6.399 ( -0.000 3.892 -1.425) 4.145 6.738 ( 0.000 -11.650 8.266) 14.285 7.336 ( -0.000 -0.866 -0.108) 0.873 7.381 ( -0.000 -1.474 -1.741) 2.281 7.696 ( 0.000 -4.993 3.657) 6.189 8.293 ( -0.000 0.019 -1.291) 1.291 8.665 ( -0.000 0.020 -0.124) 0.125 8.827 ( -0.000 8.125 -4.412) 9.246 8.998 ( -0.000 0.711 -0.148) 0.726 9.480 ( 0.000 0.744 1.574) 1.741 9.496 ( 0.000 2.163 0.856) 2.326 9.947 ( 0.000 -3.172 4.398) 5.422 10.598 ( 0.000 -0.633 1.037) 1.215 10.626 ( 0.000 1.453 0.794) 1.655 11.560 ( 0.000 -5.841 4.134) 7.156======================= Grid point 104 (35/85) =======================q-point: ( 0.33 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.075 ( 23.023 14.298 7.845) 28.215 1.380 ( 8.550 19.789 16.910) 27.398 1.794 ( 10.219 24.371 18.693) 32.370 2.773 ( -3.108 -1.377 -11.212) 11.716 2.906 ( 4.110 0.601 -8.892) 9.814 3.239 ( -5.587 -0.034 -1.007) 5.677 3.441 ( 3.300 -1.011 -2.393) 4.200 3.503 ( 0.676 2.155 0.459) 2.304 4.054 ( -8.136 -2.418 0.837) 8.529 4.179 ( 1.402 0.523 -5.321) 5.527 4.426 ( 4.744 1.684 2.293) 5.532 4.776 ( -0.819 -4.392 -5.643) 7.197 4.916 ( -1.264 -0.043 -1.656) 2.084 4.986 ( 1.659 -0.796 0.986) 2.088 5.107 ( -0.501 0.197 -0.276) 0.605 5.186 ( 1.182 2.745 0.178) 2.994 5.429 ( -3.788 -5.439 0.534) 6.649 5.552 ( 1.108 1.103 -0.758) 1.737 5.718 ( -1.849 -0.396 -1.659) 2.515 5.784 ( -1.526 2.252 -2.773) 3.884 6.012 ( -1.449 -5.250 0.151) 5.449 6.095 ( -3.508 -0.569 1.507) 3.860 6.183 ( 1.809 -4.833 1.865) 5.487 6.396 ( 3.539 1.334 0.291) 3.794 6.430 ( 2.222 2.426 -0.516) 3.330 6.640 ( -5.817 -4.181 5.199) 8.852 7.305 ( -1.540 -1.952 -0.412) 2.520 7.353 ( -0.352 -4.649 0.139) 4.665 7.661 ( -1.322 -2.581 2.263) 3.678 8.287 ( 0.028 0.333 -1.609) 1.644 8.670 ( 0.512 0.131 -0.109) 0.539 8.876 ( 1.139 3.207 -2.518) 4.234 9.010 ( 0.518 0.930 -0.140) 1.074 9.505 ( 0.826 0.997 1.459) 1.951 9.524 ( 0.225 2.221 0.907) 2.410 9.934 ( -0.905 -1.814 3.399) 3.958 10.599 ( 0.059 -0.824 0.982) 1.284 10.643 ( -0.026 1.276 0.926) 1.577 11.511 ( -2.259 -3.615 3.148) 5.299======================= Grid point 105 (36/85) =======================q-point: ( 0.44 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.605 ( 21.001 11.252 5.256) 24.398 1.802 ( 11.925 16.925 12.605) 24.239 2.265 ( 13.385 11.527 5.487) 18.497 2.669 ( -2.261 3.699 -4.514) 6.259 2.926 ( 2.731 -0.345 -5.211) 5.893 3.146 ( -5.637 0.062 1.295) 5.784 3.435 ( -2.015 0.196 -4.976) 5.372 3.560 ( 3.940 2.075 -0.554) 4.488 3.889 ( -8.681 -2.921 2.842) 9.590 4.189 ( 2.291 1.330 -4.813) 5.494 4.516 ( 3.579 0.371 -0.945) 3.720 4.713 ( 0.101 -1.702 -3.848) 4.209 4.889 ( 0.560 -1.846 -0.858) 2.111 5.006 ( 0.878 -1.654 1.204) 2.226 5.095 ( 0.300 -0.750 -1.551) 1.749 5.219 ( -0.314 1.507 0.155) 1.547 5.294 ( -6.346 -4.200 0.638) 7.637 5.546 ( -4.275 0.338 -1.523) 4.551 5.679 ( 0.957 0.016 -0.416) 1.044 5.775 ( -0.285 1.535 -0.917) 1.811 5.970 ( 0.455 -3.441 0.419) 3.496 6.062 ( -1.696 0.422 0.589) 1.844 6.163 ( -0.102 -2.768 0.255) 2.781 6.399 ( -0.660 -3.886 0.259) 3.950 6.513 ( -0.101 0.932 3.991) 4.099 6.575 ( 0.898 2.721 -0.663) 2.941 7.240 ( -2.351 -5.669 -0.109) 6.138 7.297 ( -2.448 -1.513 0.979) 3.040 7.633 ( -0.714 -1.713 0.744) 1.999 8.282 ( 0.072 0.402 -1.401) 1.459 8.679 ( 0.280 0.502 -0.142) 0.592 8.896 ( 0.563 0.464 -1.066) 1.292 9.029 ( 0.704 0.905 -0.115) 1.153 9.533 ( 0.430 1.047 1.117) 1.591 9.556 ( 0.652 1.809 1.097) 2.214 9.925 ( -0.542 -0.879 1.916) 2.177 10.593 ( -0.408 -0.668 0.698) 1.049 10.659 ( 0.078 0.801 0.965) 1.257 11.459 ( -2.207 -2.353 1.883) 3.736======================= Grid point 106 (37/85) =======================q-point: ( 0.56 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.002 ( 13.483 8.458 -0.182) 15.918 2.171 ( 3.659 16.138 0.422) 16.553 2.365 ( 7.647 -7.826 -0.451) 10.951 2.755 ( -3.175 2.839 -1.269) 4.444 2.953 ( 0.977 2.280 3.877) 4.602 3.062 ( -3.682 -0.970 1.516) 4.099 3.403 ( -0.066 6.656 1.614) 6.850 3.636 ( 3.917 0.912 -2.399) 4.683 3.791 ( -2.394 -1.652 3.237) 4.352 4.225 ( 3.113 1.283 -3.048) 4.542 4.524 ( 1.686 -2.839 -5.264) 6.214 4.690 ( -0.851 -0.796 -1.728) 2.084 4.900 ( 3.056 -2.543 0.018) 3.976 4.999 ( 0.908 -2.477 1.355) 2.966 5.086 ( -0.388 -0.240 -2.421) 2.464 5.155 ( -3.637 -2.137 2.669) 4.992 5.236 ( -3.343 3.023 0.219) 4.512 5.439 ( -6.117 1.208 -1.626) 6.443 5.730 ( 3.266 0.714 -0.242) 3.352 5.785 ( 0.789 0.070 -0.267) 0.836 5.959 ( 1.265 -2.138 0.234) 2.495 6.039 ( -1.796 -0.298 0.562) 1.905 6.135 ( -1.255 -0.785 -1.470) 2.086 6.335 ( -1.949 -3.626 1.454) 4.366 6.502 ( -2.612 2.641 0.441) 3.741 6.677 ( 6.266 0.713 1.004) 6.386 7.128 ( -3.866 -6.057 -0.084) 7.186 7.263 ( -1.761 0.412 0.733) 1.951 7.612 ( -0.256 -1.338 -0.348) 1.406 8.284 ( 0.328 0.568 -0.719) 0.973 8.686 ( -0.142 0.819 -0.217) 0.859 8.898 ( 0.441 -0.693 -0.437) 0.931 9.046 ( 0.471 0.636 -0.075) 0.795 9.548 ( -0.193 0.745 0.703) 1.043 9.586 ( 0.362 1.161 1.287) 1.771 9.919 ( -0.287 -0.592 0.791) 1.029 10.582 ( -0.667 -0.320 0.282) 0.792 10.670 ( -0.041 0.235 0.915) 0.945 11.418 ( -1.539 -1.448 0.935) 2.311======================= Grid point 107 (38/85) =======================q-point: (-0.33 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.994 ( -11.196 -0.390 -9.614) 14.762 2.308 ( -0.392 0.636 -4.862) 4.919 2.457 ( -3.209 3.635 -4.084) 6.340 2.685 ( 6.011 4.553 6.827) 10.172 2.951 ( -6.614 -1.471 3.659) 7.700 3.027 ( 0.211 -4.166 5.977) 7.289 3.537 ( 1.523 1.701 3.640) 4.297 3.659 ( 0.718 0.605 -3.059) 3.200 3.842 ( 5.451 4.295 5.298) 8.731 4.274 ( 3.220 0.210 -1.444) 3.535 4.490 ( 1.074 -2.409 -6.821) 7.313 4.638 ( 0.052 -4.491 -0.895) 4.579 4.918 ( 1.967 -1.167 -1.372) 2.667 5.013 ( -0.371 -0.766 0.263) 0.890 5.053 ( -0.949 0.752 -1.668) 2.061 5.143 ( -0.241 -0.177 4.360) 4.371 5.212 ( -1.723 3.374 0.597) 3.835 5.412 ( 0.405 5.262 -0.680) 5.322 5.761 ( 0.884 -1.514 -0.212) 1.766 5.793 ( 0.301 -0.711 -0.100) 0.779 5.970 ( 1.560 -1.533 -0.462) 2.235 6.013 ( -0.506 -0.387 0.371) 0.737 6.085 ( -2.762 0.200 -2.154) 3.509 6.317 ( 1.082 -0.359 1.499) 1.883 6.486 ( -2.003 1.979 -0.658) 2.892 6.764 ( 2.977 -2.588 1.852) 4.358 7.029 ( -1.151 -2.714 -0.981) 3.107 7.253 ( -0.704 0.898 0.602) 1.290 7.597 ( 0.122 -0.739 -0.906) 1.175 8.296 ( 0.671 0.665 -0.137) 0.955 8.687 ( -0.499 0.903 -0.275) 1.068 8.897 ( 0.723 -0.895 -0.191) 1.166 9.053 ( -0.079 0.248 -0.028) 0.262 9.548 ( -0.883 0.312 0.367) 1.006 9.600 ( -0.510 0.329 1.369) 1.498 9.910 ( -0.464 -0.662 0.187) 0.830 10.571 ( -0.522 0.093 -0.049) 0.532 10.671 ( -0.353 -0.278 0.830) 0.944 11.395 ( -0.500 -0.640 0.425) 0.917======================= Grid point 108 (39/85) =======================q-point: (-0.22 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.700 ( -17.782 -1.117 -6.054) 18.817 1.934 ( -25.074 -4.799 -4.111) 25.858 2.579 ( -8.263 -0.886 -0.878) 8.357 2.682 ( -0.503 -0.294 0.497) 0.766 2.985 ( 6.464 8.219 4.961) 11.574 3.064 ( 3.953 -4.927 7.301) 9.654 3.470 ( -1.632 -8.941 -2.376) 9.394 3.652 ( -2.907 2.041 -2.029) 4.090 4.027 ( 4.379 5.092 6.327) 9.227 4.301 ( 1.572 -1.248 -2.695) 3.361 4.419 ( -3.732 0.312 -4.643) 5.965 4.662 ( 6.633 -1.623 -0.177) 6.831 4.933 ( 1.100 -0.670 -2.226) 2.572 4.982 ( 0.244 0.516 -2.587) 2.649 5.066 ( 1.957 0.865 0.355) 2.169 5.160 ( 0.449 -2.234 3.580) 4.243 5.247 ( 0.362 3.411 1.175) 3.626 5.533 ( 5.696 6.594 1.469) 8.837 5.729 ( -1.742 -2.580 -0.819) 3.219 5.787 ( 0.332 -0.280 -0.236) 0.494 5.962 ( 0.847 -2.506 -1.061) 2.850 6.013 ( -0.408 0.803 -0.579) 1.070 6.060 ( -0.197 1.325 0.093) 1.343 6.364 ( 3.225 0.833 0.591) 3.383 6.466 ( -2.150 1.738 -0.675) 2.846 6.716 ( -3.818 -5.176 0.650) 6.464 7.064 ( 5.619 1.170 -0.206) 5.744 7.263 ( 0.573 0.760 0.443) 1.050 7.594 ( 0.546 0.029 -0.751) 0.929 8.313 ( 0.685 0.443 -0.142) 0.828 8.684 ( -0.662 0.733 -0.266) 1.022 8.904 ( 1.090 -0.576 -0.041) 1.233 9.047 ( -0.693 -0.075 -0.003) 0.697 9.531 ( -1.482 0.043 0.252) 1.504 9.590 ( -1.428 -0.574 1.224) 1.967 9.894 ( -0.798 -0.596 0.126) 1.004 10.568 ( -0.130 0.423 -0.115) 0.457 10.663 ( -0.652 -0.634 0.759) 1.185 11.395 ( 0.578 -0.054 0.414) 0.713======================= Grid point 109 (40/85) =======================q-point: (-0.11 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.344 ( -23.544 1.573 0.108) 23.596 1.464 ( -26.859 -1.877 1.779) 26.983 2.128 ( -31.289 -10.697 8.381) 34.112 2.845 ( 9.683 5.686 -7.872) 13.713 3.067 ( 0.199 -0.885 -1.954) 2.154 3.207 ( 7.762 0.405 4.308) 8.887 3.373 ( -0.036 -5.899 2.673) 6.477 3.579 ( -6.018 2.033 -2.627) 6.874 4.099 ( 2.236 -3.926 -1.010) 4.629 4.287 ( -0.490 1.152 -2.574) 2.862 4.369 ( -2.686 3.376 0.292) 4.324 4.779 ( 7.205 0.370 -0.649) 7.244 4.918 ( 0.000 0.202 -1.899) 1.910 4.987 ( -0.407 1.697 -2.575) 3.111 5.110 ( 0.569 -0.937 1.364) 1.750 5.170 ( 1.106 -1.213 2.294) 2.821 5.309 ( 4.556 1.766 0.934) 4.975 5.617 ( -1.926 0.046 -0.421) 1.972 5.715 ( 4.020 -1.613 -0.453) 4.355 5.811 ( 1.978 1.462 0.014) 2.460 5.959 ( 2.080 0.021 -2.218) 3.041 6.033 ( 1.275 1.421 2.183) 2.900 6.072 ( -0.049 0.544 0.910) 1.061 6.416 ( 0.656 0.001 -0.725) 0.978 6.453 ( 0.301 1.464 0.465) 1.566 6.600 ( -4.833 -2.891 0.024) 5.632 7.192 ( 7.515 1.750 0.759) 7.753 7.288 ( 1.552 0.287 0.271) 1.601 7.606 ( 0.799 0.465 0.027) 0.925 8.321 ( 0.201 0.023 -0.697) 0.726 8.678 ( -0.612 0.443 -0.186) 0.778 8.919 ( 1.028 -0.266 -0.227) 1.086 9.031 ( -1.070 -0.175 -0.026) 1.085 9.506 ( -1.754 0.075 0.467) 1.817 9.558 ( -1.952 -1.210 0.696) 2.400 9.879 ( -0.725 -0.185 0.799) 1.094 10.573 ( 0.250 0.502 0.130) 0.576 10.648 ( -0.825 -0.711 0.686) 1.287 11.416 ( 1.440 0.163 1.072) 1.802======================= Grid point 113 (41/85) =======================q-point: ( 0.33 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.077 ( 0.000 17.751 8.915) 19.864 1.584 ( 0.000 15.035 19.866) 24.914 2.052 ( 0.000 27.710 8.979) 29.129 2.726 ( -0.000 -4.223 -5.496) 6.931 2.836 ( -0.000 4.281 -10.631) 11.461 3.331 ( -0.000 6.389 -1.830) 6.646 3.347 ( -0.000 -4.912 -1.559) 5.153 3.523 ( -0.000 2.241 -0.278) 2.259 4.118 ( -0.000 1.473 -5.144) 5.351 4.154 ( 0.000 -1.120 1.813) 2.131 4.393 ( 0.000 -1.474 2.861) 3.219 4.697 ( -0.000 -4.147 -7.787) 8.822 4.939 ( -0.000 0.671 -0.452) 0.809 4.945 ( -0.000 -2.988 0.045) 2.988 5.117 ( -0.000 0.479 -1.023) 1.130 5.197 ( 0.000 2.077 -0.052) 2.078 5.415 ( 0.000 -5.222 1.003) 5.318 5.543 ( -0.000 1.309 -0.985) 1.638 5.752 ( -0.000 2.044 -1.531) 2.554 5.778 ( -0.000 -1.358 -2.444) 2.795 5.978 ( -0.000 -4.508 0.201) 4.512 6.125 ( 0.000 -3.739 2.314) 4.397 6.128 ( 0.000 -2.651 1.392) 2.994 6.375 ( 0.000 2.550 0.223) 2.560 6.417 ( -0.000 -0.484 -1.699) 1.766 6.691 ( 0.000 -2.020 5.766) 6.110 7.286 ( -0.000 -6.195 -0.521) 6.217 7.312 ( -0.000 -1.500 -0.114) 1.504 7.656 ( 0.000 -3.258 2.045) 3.847 8.282 ( -0.000 0.428 -1.568) 1.626 8.664 ( -0.000 0.084 -0.099) 0.130 8.888 ( -0.000 2.793 -1.887) 3.371 9.015 ( -0.000 1.144 -0.132) 1.152 9.514 ( 0.000 1.075 1.390) 1.757 9.554 ( 0.000 2.864 0.832) 2.982 9.941 ( 0.000 -2.027 2.966) 3.593 10.594 ( 0.000 -1.021 0.980) 1.415 10.663 ( 0.000 1.430 0.923) 1.703 11.507 ( 0.000 -4.031 2.599) 4.797======================= Grid point 114 (42/85) =======================q-point: ( 0.44 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.433 ( 16.661 13.503 7.338) 22.666 1.860 ( 6.754 10.504 16.446) 20.651 2.303 ( 0.418 15.094 -4.482) 15.751 2.703 ( 0.454 3.758 3.121) 4.906 2.853 ( 3.463 5.258 -8.940) 10.935 3.246 ( -4.630 -1.008 1.036) 4.850 3.426 ( 1.834 5.275 -3.620) 6.655 3.543 ( 0.654 1.912 0.267) 2.038 4.035 ( -9.090 -1.599 2.304) 9.513 4.142 ( 0.964 0.248 -3.634) 3.768 4.440 ( 5.091 -2.255 0.071) 5.569 4.639 ( 1.736 -1.779 -6.751) 7.194 4.889 ( -1.925 -1.971 1.062) 2.953 4.972 ( 2.169 -1.058 -0.096) 2.415 5.086 ( -1.852 -0.964 -1.893) 2.818 5.227 ( 1.085 0.934 0.204) 1.446 5.343 ( -3.698 -3.355 0.671) 5.038 5.562 ( 1.345 0.084 -2.154) 2.541 5.698 ( -2.657 -0.795 0.188) 2.780 5.778 ( -0.176 -0.539 -1.628) 1.724 5.944 ( -0.388 -1.576 0.618) 1.737 6.092 ( -1.674 -1.504 1.201) 2.551 6.125 ( 1.643 -2.719 0.979) 3.325 6.377 ( -0.838 -1.996 -1.118) 2.437 6.455 ( 4.924 0.192 1.301) 5.097 6.674 ( -4.440 1.878 3.009) 5.683 7.211 ( -1.432 -6.317 -0.330) 6.486 7.302 ( 0.184 -1.601 0.469) 1.679 7.628 ( -0.668 -2.824 1.083) 3.098 8.278 ( 0.062 0.507 -1.345) 1.439 8.672 ( 0.782 0.196 -0.083) 0.810 8.896 ( -0.314 1.009 -1.020) 1.469 9.029 ( 0.392 1.117 -0.109) 1.189 9.537 ( 0.660 0.909 1.086) 1.562 9.582 ( -0.249 2.686 0.767) 2.804 9.933 ( -0.452 -1.335 1.905) 2.370 10.590 ( 0.138 -1.027 0.750) 1.279 10.677 ( -0.370 1.169 0.818) 1.474 11.473 ( -1.292 -3.164 1.714) 3.824======================= Grid point 115 (43/85) =======================q-point: ( 0.56 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.857 ( 16.259 9.646 3.217) 19.177 2.161 ( 11.134 0.597 8.046) 13.750 2.316 ( -2.386 9.478 -4.571) 10.790 2.761 ( 0.247 1.233 -0.735) 1.456 2.980 ( 4.411 8.020 -0.556) 9.170 3.153 ( -7.311 0.974 -2.902) 7.926 3.475 ( 1.014 7.317 -0.183) 7.390 3.590 ( 1.593 1.221 2.151) 2.942 3.885 ( -7.955 -1.924 5.445) 9.830 4.149 ( 3.045 -1.876 -4.354) 5.635 4.455 ( 0.879 -2.348 -4.384) 5.051 4.655 ( 3.173 0.144 -3.628) 4.822 4.849 ( -0.972 -4.268 2.338) 4.963 4.981 ( 0.783 -0.257 0.683) 1.070 5.062 ( 1.186 0.178 -2.352) 2.640 5.205 ( -3.341 -1.813 1.315) 4.022 5.297 ( -1.076 1.800 -0.098) 2.099 5.523 ( -3.192 -1.498 -1.953) 4.031 5.706 ( 1.287 2.185 0.361) 2.561 5.748 ( 0.336 -2.335 -1.078) 2.593 5.938 ( 0.214 -0.851 0.592) 1.059 6.060 ( -1.434 -1.259 0.859) 2.093 6.130 ( 0.482 -0.862 -0.255) 1.020 6.331 ( -1.316 -2.762 0.309) 3.075 6.542 ( 3.945 -1.098 1.962) 4.540 6.638 ( -2.901 3.548 0.004) 4.583 7.117 ( -2.504 -6.189 -0.370) 6.686 7.292 ( -0.694 -0.380 0.978) 1.259 7.598 ( -0.360 -2.135 0.005) 2.165 8.280 ( 0.306 0.654 -0.798) 1.077 8.689 ( 0.709 0.577 -0.118) 0.922 8.888 ( -0.402 -0.340 -0.441) 0.687 9.045 ( 0.439 0.846 -0.071) 0.956 9.559 ( 0.337 0.592 0.700) 0.977 9.605 ( -0.176 1.944 0.770) 2.098 9.923 ( -0.473 -0.839 0.890) 1.311 10.586 ( -0.096 -0.700 0.374) 0.799 10.683 ( -0.493 0.594 0.680) 1.029 11.431 ( -1.450 -2.079 0.892) 2.687======================= Grid point 116 (44/85) =======================q-point: ( 0.67 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.083 ( -2.424 2.399 -5.633) 6.585 2.214 ( 8.272 3.706 -2.007) 9.284 2.547 ( 6.635 6.596 8.029) 12.329 2.715 ( -5.708 0.667 -2.744) 6.369 2.946 ( -3.380 -2.043 0.073) 3.950 3.121 ( -2.631 3.779 0.235) 4.610 3.549 ( -0.799 -0.144 -1.337) 1.564 3.639 ( 1.406 0.949 3.908) 4.260 3.857 ( 1.270 4.523 6.375) 7.918 4.153 ( 5.502 -5.315 -5.344) 9.332 4.426 ( 0.751 -0.354 -2.385) 2.525 4.623 ( -2.959 -3.179 -2.012) 4.787 4.846 ( 3.734 -2.055 -0.517) 4.293 5.024 ( 0.724 2.355 1.022) 2.667 5.070 ( -0.159 1.260 -1.855) 2.248 5.163 ( -1.130 -0.932 2.701) 3.072 5.284 ( -2.560 1.316 0.315) 2.895 5.465 ( -2.083 3.388 -1.729) 4.336 5.708 ( 1.705 -4.311 -0.301) 4.645 5.781 ( 1.689 2.419 -0.120) 2.953 5.935 ( 0.469 -1.511 -0.072) 1.584 6.026 ( -1.525 -1.327 0.580) 2.103 6.116 ( -1.400 0.246 -0.883) 1.673 6.303 ( 0.210 -1.357 1.087) 1.752 6.550 ( -2.704 2.217 -0.261) 3.507 6.678 ( 4.400 -1.448 0.788) 4.699 7.022 ( -2.219 -4.210 -0.373) 4.774 7.282 ( -1.189 0.410 0.764) 1.471 7.580 ( 0.249 -1.110 -0.556) 1.266 8.291 ( 0.553 0.670 -0.282) 0.914 8.702 ( 0.006 0.954 -0.182) 0.971 8.878 ( 0.189 -0.929 -0.134) 0.957 9.056 ( 0.139 0.449 -0.028) 0.471 9.565 ( -0.446 0.323 0.330) 0.642 9.619 ( -0.400 0.768 0.819) 1.192 9.912 ( -0.426 -0.679 0.279) 0.849 10.579 ( -0.325 -0.163 0.052) 0.367 10.680 ( -0.521 -0.091 0.575) 0.781 11.400 ( -0.874 -1.089 0.393) 1.450======================= Grid point 117 (45/85) =======================q-point: (-0.22 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.947 ( -12.126 3.588 -1.042) 12.689 2.260 ( -15.640 1.478 -3.995) 16.210 2.516 ( 3.879 6.749 -7.231) 10.625 2.785 ( 1.761 -2.506 4.539) 5.476 2.963 ( 0.978 -6.853 7.808) 10.434 3.059 ( -3.331 3.413 3.801) 6.099 3.448 ( -5.284 -4.198 -0.954) 6.816 3.671 ( 0.682 0.536 -1.047) 1.360 3.985 ( 5.266 -0.772 -1.643) 5.570 4.212 ( 6.964 1.190 -2.498) 7.493 4.457 ( 1.692 2.505 0.302) 3.038 4.555 ( 0.611 -2.855 1.565) 3.312 4.883 ( 2.657 0.577 -3.861) 4.722 4.998 ( -3.729 -0.765 -0.588) 3.851 5.073 ( -0.247 1.677 -0.076) 1.697 5.158 ( -0.213 -2.304 3.054) 3.831 5.279 ( -0.420 1.749 0.683) 1.924 5.517 ( 3.202 5.299 -0.646) 6.225 5.702 ( 2.101 -3.359 -0.018) 3.962 5.795 ( -1.974 1.067 -0.490) 2.297 5.924 ( 0.744 -2.096 -0.216) 2.235 6.014 ( 0.665 0.307 0.023) 0.733 6.090 ( -1.831 0.911 0.355) 2.075 6.321 ( 2.307 -0.491 -0.244) 2.372 6.526 ( -2.742 2.816 -0.511) 3.963 6.699 ( 0.463 -4.347 0.461) 4.395 6.998 ( 2.721 -0.276 0.416) 2.767 7.272 ( -0.697 0.179 0.353) 0.802 7.581 ( 0.717 0.077 -0.449) 0.850 8.305 ( 0.586 0.355 -0.249) 0.729 8.703 ( -0.715 0.803 -0.191) 1.092 8.880 ( 1.023 -0.638 0.033) 1.206 9.056 ( -0.375 0.109 -0.001) 0.391 9.555 ( -1.095 0.070 0.192) 1.114 9.612 ( -1.145 -0.393 0.727) 1.412 9.900 ( -0.466 -0.418 0.185) 0.653 10.574 ( -0.248 0.231 -0.044) 0.341 10.671 ( -0.597 -0.559 0.548) 0.984 11.389 ( 0.094 -0.393 0.322) 0.517======================= Grid point 118 (46/85) =======================q-point: (-0.11 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.759 ( -18.761 7.302 5.703) 20.925 1.905 ( -24.640 3.808 -0.412) 24.936 2.524 ( -17.640 -3.833 0.793) 18.069 2.714 ( 5.043 4.481 -4.041) 7.864 2.983 ( 5.587 -7.501 3.310) 9.922 3.110 ( 2.887 -4.055 1.458) 5.187 3.385 ( -1.131 3.183 3.845) 5.118 3.648 ( -2.686 0.893 -3.413) 4.434 3.977 ( 3.045 -7.075 -7.972) 11.085 4.287 ( 0.724 1.771 -2.120) 2.856 4.480 ( -3.467 5.050 3.281) 6.949 4.655 ( 8.577 -0.114 2.304) 8.882 4.900 ( 1.124 1.478 -4.681) 5.035 4.967 ( 1.769 0.725 -1.295) 2.310 5.093 ( 1.006 0.278 0.884) 1.368 5.146 ( 0.451 -2.266 2.788) 3.621 5.286 ( 0.301 -0.739 0.360) 0.875 5.591 ( 3.113 -2.230 -1.490) 4.109 5.697 ( -1.547 0.541 0.306) 1.667 5.785 ( 1.257 0.813 -0.778) 1.687 5.927 ( 1.090 0.231 -0.226) 1.137 6.039 ( 1.120 0.918 0.701) 1.609 6.086 ( -0.459 0.814 1.779) 2.009 6.357 ( 3.454 -0.875 -1.421) 3.836 6.503 ( -2.640 1.060 0.580) 2.904 6.643 ( -2.963 -1.190 -0.533) 3.238 7.091 ( 6.736 0.767 1.536) 6.952 7.270 ( 0.564 -0.407 0.167) 0.715 7.597 ( 0.925 0.692 0.052) 1.156 8.311 ( 0.341 -0.101 -0.737) 0.818 8.693 ( -0.883 0.244 -0.112) 0.923 8.897 ( 1.276 -0.006 -0.029) 1.277 9.046 ( -0.868 -0.007 -0.019) 0.868 9.536 ( -1.391 -0.012 0.412) 1.451 9.583 ( -1.902 -1.039 0.447) 2.213 9.893 ( -0.484 0.062 0.633) 0.799 10.575 ( 0.074 0.216 0.160) 0.279 10.658 ( -0.678 -0.562 0.577) 1.052 11.399 ( 1.116 -0.158 0.731) 1.344======================= Grid point 123 (47/85) =======================q-point: ( 0.44 0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.452 ( 0.000 11.271 8.230) 13.956 1.964 ( 0.000 6.198 12.553) 14.000 2.365 ( -0.000 2.598 -5.144) 5.763 2.819 ( -0.000 6.373 -10.622) 12.387 2.823 ( 0.000 15.035 5.347) 15.957 3.241 ( 0.000 -5.050 0.682) 5.096 3.502 ( 0.000 12.008 0.302) 12.012 3.550 ( -0.000 1.715 -1.601) 2.346 4.088 ( -0.000 -0.118 -4.528) 4.530 4.172 ( 0.000 -0.461 3.690) 3.719 4.326 ( -0.000 -5.920 -0.586) 5.949 4.585 ( -0.000 0.601 -5.379) 5.413 4.901 ( 0.000 -1.357 1.509) 2.029 4.940 ( -0.000 0.148 -0.460) 0.483 5.090 ( -0.000 -2.460 -0.559) 2.523 5.217 ( -0.000 0.484 -0.359) 0.602 5.357 ( 0.000 -1.562 0.424) 1.618 5.497 ( -0.000 -6.226 -3.660) 7.222 5.718 ( 0.000 -0.138 0.426) 0.448 5.770 ( -0.000 1.249 -0.879) 1.527 5.950 ( 0.000 -1.001 0.812) 1.289 6.085 ( 0.000 -2.123 0.544) 2.192 6.096 ( 0.000 -2.001 1.135) 2.301 6.377 ( 0.000 -2.104 0.393) 2.140 6.413 ( 0.000 1.027 0.566) 1.173 6.746 ( 0.000 2.417 1.765) 2.992 7.166 ( -0.000 -6.013 0.457) 6.031 7.282 ( -0.000 -1.347 -0.176) 1.359 7.612 ( 0.000 -2.961 0.915) 3.099 8.276 ( -0.000 0.503 -1.060) 1.174 8.665 ( 0.000 0.073 0.003) 0.073 8.904 ( -0.000 0.670 -0.718) 0.982 9.035 ( 0.000 1.061 -0.101) 1.066 9.545 ( 0.000 0.797 0.799) 1.128 9.613 ( 0.000 2.364 0.381) 2.395 9.934 ( 0.000 -1.123 1.337) 1.746 10.582 ( 0.000 -1.064 0.656) 1.250 10.695 ( 0.000 1.004 0.483) 1.114 11.461 ( 0.000 -2.986 1.146) 3.198======================= Grid point 124 (48/85) =======================q-point: ( 0.56 0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.700 ( 13.471 6.016 6.054) 15.947 2.095 ( 3.617 2.933 5.289) 7.047 2.349 ( 1.310 -1.699 0.665) 2.246 2.810 ( -1.992 7.822 -7.846) 11.257 2.998 ( 1.910 9.720 1.656) 10.044 3.218 ( -0.476 -1.035 -0.171) 1.152 3.513 ( -2.337 3.763 -3.679) 5.758 3.643 ( 0.952 8.597 2.889) 9.120 4.038 ( -4.437 -3.142 0.137) 5.439 4.070 ( -4.661 -3.451 0.515) 5.823 4.374 ( 5.570 -0.752 -2.521) 6.160 4.593 ( 2.255 1.521 -1.719) 3.218 4.870 ( -3.804 -2.624 1.632) 4.901 4.966 ( 2.138 1.471 0.375) 2.622 5.042 ( -0.770 -1.361 -0.976) 1.843 5.231 ( 0.220 -0.509 0.593) 0.812 5.320 ( -1.599 0.003 -1.102) 1.942 5.446 ( 3.610 -7.271 -2.734) 8.566 5.726 ( -0.358 2.800 0.303) 2.839 5.766 ( -2.083 0.286 0.016) 2.102 5.930 ( -0.450 -1.436 0.656) 1.641 6.073 ( -0.912 -1.399 0.615) 1.780 6.096 ( 2.026 -1.254 -0.147) 2.388 6.342 ( -1.847 -1.208 0.527) 2.269 6.462 ( 4.012 -0.818 1.158) 4.255 6.743 ( -3.940 3.351 0.171) 5.175 7.098 ( -1.895 -5.276 0.186) 5.609 7.284 ( 1.172 -0.891 0.230) 1.490 7.586 ( -0.462 -2.147 0.421) 2.237 8.278 ( 0.241 0.597 -0.579) 0.866 8.675 ( 1.009 0.129 0.049) 1.019 8.898 ( -0.853 0.117 -0.387) 0.944 9.046 ( 0.281 0.771 -0.078) 0.824 9.559 ( 0.463 0.388 0.436) 0.745 9.630 ( -0.300 1.605 0.105) 1.636 9.927 ( -0.401 -0.770 0.627) 1.071 10.578 ( 0.228 -0.846 0.389) 0.959 10.700 ( -0.519 0.551 0.166) 0.774 11.434 ( -0.796 -2.094 0.523) 2.300======================= Grid point 125 (49/85) =======================q-point: ( 0.67 0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.995 ( 13.509 2.476 -0.361) 13.739 2.164 ( 1.055 2.038 1.714) 2.864 2.433 ( 9.470 -5.089 6.497) 12.561 2.818 ( -2.476 7.843 -4.736) 9.491 3.053 ( -6.053 0.925 0.999) 6.204 3.163 ( -1.502 4.910 -6.018) 7.911 3.519 ( 1.593 -0.965 -1.469) 2.372 3.714 ( -2.629 2.716 4.812) 6.119 3.927 ( -3.940 -3.664 1.432) 5.568 4.018 ( 1.258 -0.420 -0.291) 1.358 4.416 ( 0.937 1.396 -1.316) 2.135 4.631 ( -0.228 0.780 -2.132) 2.282 4.785 ( -0.337 -3.327 1.895) 3.844 5.027 ( 2.031 1.663 0.369) 2.650 5.054 ( 1.905 1.165 -0.760) 2.359 5.204 ( -2.664 -0.152 0.904) 2.817 5.311 ( -0.412 0.345 -1.180) 1.297 5.451 ( 4.329 -2.084 -1.020) 4.912 5.698 ( -4.223 -0.787 0.254) 4.304 5.776 ( 1.943 2.769 0.100) 3.384 5.920 ( -0.052 -1.500 0.506) 1.584 6.041 ( -1.560 -1.280 -0.067) 2.019 6.114 ( 1.206 -0.337 -0.491) 1.345 6.307 ( -1.474 -0.953 0.747) 1.907 6.528 ( 4.523 -1.304 0.723) 4.763 6.697 ( -4.517 2.562 -0.267) 5.200 7.021 ( -2.226 -3.212 -0.250) 3.916 7.293 ( 0.327 -0.534 0.222) 0.665 7.568 ( -0.108 -0.793 0.083) 0.805 8.288 ( 0.449 0.595 -0.117) 0.754 8.697 ( 1.174 0.306 0.053) 1.215 8.879 ( -1.014 -0.193 -0.164) 1.046 9.056 ( 0.272 0.364 -0.040) 0.456 9.569 ( 0.275 -0.049 0.121) 0.305 9.634 ( -0.427 0.539 0.001) 0.687 9.915 ( -0.519 -0.574 0.122) 0.783 10.577 ( 0.194 -0.410 0.125) 0.470 10.692 ( -0.737 -0.047 -0.024) 0.739 11.406 ( -0.895 -1.073 0.099) 1.401======================= Grid point 126 (50/85) =======================q-point: (-0.22 0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.112 ( -1.070 4.789 0.262) 4.914 2.273 ( 7.220 2.572 -1.496) 7.809 2.558 ( 6.417 -6.695 3.887) 10.056 2.733 ( -8.967 0.386 -2.827) 9.411 2.964 ( -2.693 0.146 -0.718) 2.791 3.166 ( -2.917 0.241 0.956) 3.080 3.512 ( -0.779 1.097 -0.530) 1.446 3.672 ( -2.965 -2.515 3.901) 5.507 3.841 ( 1.753 -7.494 -5.712) 9.584 4.134 ( 5.805 7.152 2.361) 9.509 4.437 ( 1.035 1.572 0.615) 1.980 4.595 ( -2.342 1.452 -0.029) 2.756 4.821 ( 3.438 0.391 -0.727) 3.535 5.037 ( -1.186 -1.814 -0.705) 2.279 5.085 ( 0.619 1.122 -0.115) 1.287 5.165 ( -1.785 -1.341 1.067) 2.475 5.295 ( -0.868 -0.422 -0.273) 1.003 5.518 ( 2.036 2.314 -0.026) 3.083 5.650 ( 0.286 0.138 0.233) 0.394 5.825 ( 0.440 0.071 -0.045) 0.448 5.901 ( -0.094 -0.132 0.032) 0.165 6.011 ( -0.615 -0.488 -0.191) 0.808 6.122 ( -0.324 0.572 0.093) 0.664 6.288 ( 0.122 -0.926 -0.017) 0.935 6.574 ( 0.456 0.236 -0.088) 0.521 6.659 ( -0.448 -0.466 0.093) 0.653 6.980 ( -0.403 0.124 0.011) 0.422 7.283 ( -0.690 -0.740 -0.020) 1.012 7.571 ( 0.558 0.536 0.008) 0.774 8.299 ( 0.369 0.271 0.001) 0.458 8.713 ( 0.226 0.174 0.005) 0.285 8.867 ( -0.019 0.075 -0.008) 0.078 9.060 ( 0.005 0.020 -0.005) 0.022 9.566 ( -0.339 -0.328 -0.028) 0.473 9.625 ( -0.711 -0.635 0.047) 0.954 9.904 ( -0.309 -0.250 -0.014) 0.398 10.577 ( -0.010 -0.037 -0.001) 0.038 10.677 ( -0.628 -0.506 0.001) 0.806 11.389 ( -0.407 -0.336 0.000) 0.527======================= Grid point 127 (51/85) =======================q-point: (-0.11 0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.116 ( -9.925 8.636 7.856) 15.323 2.272 ( -11.557 3.428 -3.407) 12.527 2.509 ( -0.444 0.639 -8.776) 8.811 2.715 ( 7.123 -8.770 3.069) 11.707 2.890 ( -2.069 -2.840 2.492) 4.307 3.094 ( -4.699 -5.685 4.479) 8.629 3.488 ( -4.539 2.946 1.238) 5.550 3.657 ( 0.023 0.872 -2.059) 2.236 3.804 ( 4.717 -5.047 -5.673) 8.938 4.268 ( 2.663 2.694 -1.190) 3.971 4.524 ( 5.390 4.405 -0.845) 7.012 4.601 ( 0.046 1.967 4.997) 5.370 4.868 ( 1.945 2.858 -3.168) 4.689 4.976 ( -2.539 -0.794 -0.354) 2.683 5.089 ( -0.226 -1.258 0.837) 1.528 5.142 ( -0.375 -1.082 0.676) 1.329 5.268 ( -0.220 -2.897 0.105) 2.907 5.519 ( 0.202 -4.075 -0.808) 4.159 5.711 ( 2.139 3.430 0.285) 4.052 5.791 ( -1.388 -0.606 -0.467) 1.585 5.928 ( 0.434 2.251 0.261) 2.307 6.015 ( 1.583 -0.272 -0.102) 1.610 6.120 ( -0.943 0.872 1.404) 1.903 6.293 ( 1.893 -0.855 -1.163) 2.381 6.543 ( -2.244 -2.023 0.462) 3.057 6.673 ( -0.114 2.519 -0.632) 2.600 7.017 ( 3.717 1.096 0.889) 3.976 7.264 ( -0.448 -1.035 0.076) 1.130 7.591 ( 0.830 1.037 0.032) 1.328 8.303 ( 0.115 -0.167 -0.321) 0.380 8.706 ( -0.717 -0.429 -0.039) 0.837 8.881 ( 0.995 0.745 0.023) 1.243 9.056 ( -0.396 -0.091 -0.007) 0.407 9.553 ( -0.772 -0.441 0.171) 0.905 9.601 ( -1.223 -1.171 0.135) 1.698 9.901 ( -0.088 0.205 0.241) 0.329 10.576 ( -0.053 -0.096 0.072) 0.131 10.665 ( -0.426 -0.458 0.223) 0.664 11.388 ( 0.429 -0.089 0.256) 0.507======================= Grid point 133 (52/85) =======================q-point: ( 0.56 0.56 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.649 ( 0.000 0.547 6.289) 6.313 2.127 ( 0.000 3.134 3.762) 4.897 2.297 ( 0.000 -6.031 1.791) 6.291 2.851 ( -0.000 8.345 -8.422) 11.856 3.095 ( 0.000 7.107 -0.581) 7.131 3.191 ( 0.000 -3.038 4.131) 5.128 3.547 ( -0.000 0.608 -3.027) 3.087 3.730 ( -0.000 9.606 -2.232) 9.862 3.968 ( -0.000 -4.618 -3.829) 5.999 4.213 ( 0.000 -0.867 5.840) 5.904 4.260 ( -0.000 0.344 -1.116) 1.167 4.597 ( 0.000 2.492 1.378) 2.847 4.934 ( 0.000 1.435 1.050) 1.778 4.938 ( -0.000 0.017 -0.197) 0.198 5.036 ( -0.000 -1.967 0.045) 1.968 5.189 ( -0.000 -3.453 -0.821) 3.550 5.334 ( -0.000 -2.596 -0.985) 2.777 5.344 ( -0.000 0.181 -1.704) 1.713 5.759 ( 0.000 1.778 0.480) 1.841 5.781 ( -0.000 0.543 -0.146) 0.562 5.932 ( 0.000 -1.686 1.624) 2.341 6.058 ( -0.000 -0.676 -0.802) 1.049 6.071 ( -0.000 -1.266 -0.316) 1.305 6.353 ( 0.000 -1.292 0.698) 1.469 6.429 ( 0.000 0.049 0.744) 0.745 6.807 ( 0.000 2.756 0.076) 2.757 7.073 ( -0.000 -4.224 0.153) 4.226 7.262 ( -0.000 -0.482 -0.281) 0.558 7.576 ( 0.000 -1.384 0.568) 1.496 8.279 ( -0.000 0.616 -0.155) 0.635 8.667 ( 0.000 0.026 0.144) 0.147 8.905 ( -0.000 0.180 -0.252) 0.309 9.049 ( -0.000 0.464 -0.075) 0.470 9.558 ( 0.000 0.017 0.052) 0.055 9.643 ( -0.000 0.743 -0.413) 0.850 9.927 ( 0.000 -0.633 0.183) 0.659 10.570 ( 0.000 -0.677 0.230) 0.715 10.708 ( -0.000 0.167 -0.315) 0.356 11.425 ( -0.000 -1.441 0.043) 1.442======================= Grid point 134 (53/85) =======================q-point: (-0.33 -0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.768 ( 12.311 -4.167 3.413) 13.437 2.162 ( 2.612 -4.902 3.379) 6.502 2.302 ( 3.290 0.207 2.316) 4.028 2.886 ( -0.940 7.871 -6.133) 10.023 3.089 ( -0.377 -3.070 1.512) 3.443 3.208 ( -0.702 0.250 -2.498) 2.607 3.504 ( -2.210 0.069 -2.866) 3.620 3.731 ( -0.677 -4.816 -3.824) 6.187 3.957 ( -1.941 4.598 0.566) 5.023 4.121 ( -6.362 1.220 6.396) 9.104 4.372 ( 5.908 1.265 -0.243) 6.047 4.634 ( 0.165 1.888 1.194) 2.240 4.833 ( -6.148 -1.276 1.047) 6.365 4.991 ( 2.455 -1.588 -0.039) 2.924 5.035 ( 1.241 0.822 -0.160) 1.497 5.213 ( 2.720 -0.723 -0.048) 2.815 5.303 ( -1.061 1.000 -2.441) 2.843 5.380 ( 3.102 3.098 0.794) 4.456 5.758 ( -1.312 -0.139 -0.101) 1.323 5.777 ( -0.980 -0.231 0.676) 1.212 5.920 ( -0.604 -0.133 1.418) 1.547 6.048 ( -0.847 -0.916 -0.969) 1.579 6.075 ( 2.279 -0.327 -0.916) 2.478 6.333 ( -1.580 -0.224 0.437) 1.654 6.458 ( 3.006 -0.520 0.728) 3.137 6.788 ( -3.990 0.100 0.210) 3.996 7.030 ( -1.474 -0.752 -0.732) 1.810 7.271 ( 1.241 -0.289 -0.350) 1.321 7.569 ( -0.248 -0.194 0.544) 0.629 8.288 ( 0.254 0.626 0.254) 0.722 8.678 ( 1.118 0.011 0.201) 1.136 8.897 ( -1.040 0.221 -0.135) 1.071 9.054 ( 0.236 0.054 -0.048) 0.247 9.559 ( 0.433 -0.456 -0.237) 0.672 9.640 ( -0.250 -0.224 -0.687) 0.765 9.917 ( -0.380 -0.582 -0.194) 0.721 10.569 ( 0.342 -0.327 0.048) 0.475 10.700 ( -0.539 -0.320 -0.608) 0.873 11.410 ( -0.548 -0.541 -0.329) 0.837======================= Grid point 135 (54/85) =======================q-point: (-0.22 -0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.961 ( 14.684 -4.485 -2.334) 15.530 2.191 ( 8.114 -10.159 3.931) 13.583 2.408 ( 3.748 3.908 5.037) 7.395 2.851 ( -4.493 -0.979 -3.297) 5.658 3.040 ( -5.827 -4.043 -0.483) 7.108 3.158 ( 0.573 1.687 -7.226) 7.443 3.462 ( 1.156 -3.455 -3.031) 4.739 3.658 ( 0.276 -4.560 0.434) 4.589 3.898 ( -8.592 -0.069 6.255) 10.628 4.171 ( 1.523 7.405 3.605) 8.375 4.455 ( 1.890 3.114 0.598) 3.691 4.619 ( -1.739 1.710 -5.054) 5.612 4.805 ( 0.188 1.316 4.865) 5.043 4.994 ( 1.433 -3.739 -0.407) 4.025 5.072 ( 1.862 0.996 0.085) 2.113 5.195 ( -2.658 -1.099 -0.932) 3.024 5.296 ( 0.229 0.058 -1.455) 1.474 5.501 ( 3.334 5.500 1.328) 6.567 5.702 ( -3.940 0.764 0.177) 4.017 5.784 ( 2.168 -2.172 0.675) 3.143 5.919 ( -0.878 0.470 0.342) 1.053 6.022 ( -0.925 0.396 -0.814) 1.294 6.103 ( 1.938 -0.155 -1.092) 2.230 6.309 ( -2.004 0.702 0.971) 2.334 6.520 ( 4.273 -0.355 0.225) 4.293 6.702 ( -4.225 -2.260 0.029) 4.792 7.011 ( -1.724 3.002 -0.891) 3.575 7.278 ( 0.217 -0.619 -0.443) 0.792 7.574 ( 0.138 0.912 0.374) 0.996 8.299 ( 0.169 0.377 0.443) 0.606 8.700 ( 1.200 -0.195 0.193) 1.231 8.881 ( -1.066 0.557 -0.071) 1.204 9.057 ( 0.268 -0.284 -0.011) 0.391 9.559 ( 0.410 -0.771 -0.327) 0.932 9.624 ( -0.398 -1.235 -0.598) 1.429 9.905 ( -0.261 -0.360 -0.361) 0.573 10.574 ( 0.343 -0.003 -0.032) 0.344 10.681 ( -0.639 -0.699 -0.605) 1.124 11.395 ( -0.657 0.128 -0.448) 0.805======================= Grid point 143 (55/85) =======================q-point: (-0.33 -0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.611 ( 0.000 -10.163 4.301) 11.035 2.027 ( -0.000 -16.204 0.111) 16.205 2.359 ( 0.000 9.345 4.337) 10.302 2.942 ( -0.000 8.040 -4.077) 9.015 3.001 ( -0.000 -13.269 -6.975) 14.990 3.200 ( 0.000 -0.826 2.948) 3.062 3.521 ( -0.000 -0.063 -1.589) 1.590 3.657 ( -0.000 -6.890 -3.034) 7.528 4.048 ( -0.000 10.058 -2.259) 10.309 4.254 ( 0.000 -2.940 7.353) 7.919 4.278 ( 0.000 0.652 1.645) 1.770 4.665 ( 0.000 1.990 1.699) 2.616 4.897 ( 0.000 -3.302 1.413) 3.591 4.943 ( 0.000 0.788 0.156) 0.804 5.039 ( 0.000 2.208 0.217) 2.219 5.183 ( -0.000 2.363 -0.783) 2.489 5.314 ( -0.000 -0.278 -3.505) 3.516 5.413 ( 0.000 8.806 1.985) 9.027 5.748 ( 0.000 -3.147 0.390) 3.171 5.789 ( 0.000 0.313 0.159) 0.351 5.943 ( 0.000 -0.048 1.941) 1.941 6.039 ( -0.000 0.054 -1.556) 1.557 6.047 ( -0.000 0.161 -1.178) 1.189 6.352 ( 0.000 1.238 0.341) 1.285 6.433 ( 0.000 -0.606 0.826) 1.025 6.804 ( -0.000 -4.497 0.134) 4.499 7.048 ( -0.000 3.362 -1.257) 3.590 7.260 ( -0.000 0.685 -0.373) 0.780 7.575 ( 0.000 0.426 0.577) 0.717 8.294 ( 0.000 0.683 0.595) 0.906 8.669 ( 0.000 -0.041 0.254) 0.257 8.909 ( 0.000 0.384 -0.042) 0.386 9.050 ( -0.000 -0.343 -0.035) 0.344 9.547 ( -0.000 -0.907 -0.539) 1.055 9.631 ( -0.000 -1.022 -1.099) 1.501 9.913 ( -0.000 -0.713 -0.486) 0.863 10.564 ( -0.000 -0.058 -0.095) 0.111 10.695 ( -0.000 -0.680 -0.951) 1.169 11.410 ( -0.000 0.223 -0.720) 0.754======================= Grid point 144 (56/85) =======================q-point: (-0.22 -0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.635 ( 13.152 -12.694 2.030) 18.391 1.906 ( 7.152 -19.409 -1.483) 20.737 2.490 ( 1.103 8.473 6.653) 10.829 2.785 ( -0.832 -16.575 -7.973) 18.412 3.024 ( 2.695 3.415 -0.705) 4.407 3.175 ( -3.713 0.806 -3.395) 5.095 3.457 ( -5.035 -2.293 -2.565) 6.098 3.612 ( 2.291 -3.899 2.265) 5.058 4.062 ( -6.163 2.517 2.337) 7.056 4.230 ( -0.163 2.389 4.621) 5.204 4.385 ( 6.821 -0.536 0.176) 6.844 4.675 ( -2.561 3.952 -1.058) 4.827 4.869 ( -2.021 0.869 4.304) 4.834 4.958 ( 0.307 -0.076 0.456) 0.555 5.065 ( 0.293 2.688 0.314) 2.722 5.206 ( -0.316 -0.428 -1.705) 1.786 5.283 ( -0.064 0.902 -2.726) 2.872 5.538 ( 1.941 9.094 1.159) 9.371 5.716 ( -0.004 -3.456 0.448) 3.485 5.781 ( -1.542 0.345 0.461) 1.646 5.937 ( -0.850 -0.390 1.242) 1.554 6.030 ( -0.152 0.719 -1.820) 1.962 6.067 ( 1.633 0.754 -0.779) 1.960 6.361 ( -1.590 2.504 0.916) 3.104 6.456 ( 3.013 -0.526 0.494) 3.098 6.722 ( -2.761 -6.067 -0.383) 6.677 7.075 ( -1.439 5.790 -1.160) 6.078 7.270 ( 0.276 0.725 -0.443) 0.893 7.584 ( 0.012 1.005 0.403) 1.083 8.305 ( 0.041 0.526 0.761) 0.926 8.679 ( 1.031 -0.151 0.263) 1.075 8.904 ( -0.977 0.600 0.011) 1.147 9.047 ( 0.276 -0.660 -0.005) 0.715 9.538 ( 0.604 -1.184 -0.595) 1.457 9.609 ( -0.223 -1.808 -1.077) 2.116 9.901 ( -0.136 -0.672 -0.661) 0.952 10.568 ( 0.414 0.221 -0.135) 0.489 10.678 ( -0.452 -0.962 -0.974) 1.442 11.406 ( -0.509 0.783 -0.900) 1.297======================= Grid point 153 (57/85) =======================q-point: (-0.22 -0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.385 ( 0.000 -18.502 4.497) 19.040 1.623 ( -0.000 -23.447 -4.039) 23.793 2.423 ( -0.000 -25.644 -7.292) 26.661 2.703 ( 0.000 8.442 4.667) 9.646 3.036 ( 0.000 2.859 1.191) 3.097 3.218 ( -0.000 4.552 -4.943) 6.720 3.513 ( 0.000 -1.446 1.480) 2.069 3.519 ( 0.000 -7.174 1.290) 7.289 4.144 ( -0.000 4.565 -6.240) 7.731 4.266 ( 0.000 -4.025 7.794) 8.772 4.310 ( 0.000 0.799 2.229) 2.368 4.743 ( 0.000 5.687 1.118) 5.796 4.906 ( 0.000 -0.241 3.304) 3.313 4.962 ( 0.000 0.149 1.066) 1.076 5.108 ( 0.000 3.176 0.109) 3.178 5.196 ( -0.000 -0.018 -1.101) 1.102 5.284 ( -0.000 2.986 -3.734) 4.781 5.597 ( 0.000 4.510 0.099) 4.511 5.715 ( 0.000 2.451 1.138) 2.702 5.791 ( -0.000 -0.289 -0.078) 0.299 5.948 ( 0.000 -0.260 1.705) 1.724 6.029 ( -0.000 0.955 -1.871) 2.101 6.061 ( -0.000 1.355 -0.639) 1.499 6.412 ( 0.000 4.018 0.423) 4.040 6.422 ( 0.000 -1.541 0.791) 1.732 6.675 ( -0.000 -7.400 -0.778) 7.441 7.144 ( 0.000 7.067 -0.725) 7.104 7.278 ( -0.000 1.604 -0.404) 1.654 7.596 ( 0.000 1.058 0.247) 1.087 8.314 ( 0.000 0.442 0.812) 0.925 8.671 ( 0.000 -0.128 0.279) 0.307 8.919 ( 0.000 0.607 0.155) 0.627 9.037 ( -0.000 -0.943 0.013) 0.943 9.516 ( -0.000 -1.512 -0.695) 1.665 9.586 ( -0.000 -2.148 -1.173) 2.447 9.890 ( -0.000 -0.845 -0.824) 1.181 10.566 ( -0.000 0.430 -0.178) 0.465 10.666 ( -0.000 -1.118 -1.002) 1.501 11.415 ( -0.000 1.281 -1.193) 1.751======================= Grid point 184 (58/85) =======================q-point: ( 0.22 0.22 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 85Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.618 ( 0.000 -0.000 17.284) 17.284 0.618 ( 0.000 -0.000 17.284) 17.284 1.395 ( 0.000 -0.000 38.454) 38.454 2.805 ( -0.000 0.000 -11.755) 11.755 2.805 ( -0.000 0.000 -11.755) 11.755 3.370 ( -0.000 0.000 -1.650) 1.650 3.370 ( -0.000 0.000 -1.650) 1.650 3.471 ( -0.000 0.000 -0.613) 0.613 4.127 ( -0.000 0.000 -6.045) 6.045 4.268 ( 0.000 -0.000 1.883) 1.883 4.268 ( 0.000 -0.000 1.883) 1.883 4.906 ( -0.000 0.000 -1.454) 1.454 4.906 ( -0.000 0.000 -1.454) 1.454 4.977 ( -0.000 0.000 -2.661) 2.661 5.104 ( 0.000 -0.000 0.653) 0.653 5.104 ( 0.000 -0.000 0.653) 0.653 5.548 ( 0.000 -0.000 0.555) 0.555 5.560 ( -0.000 0.000 -0.358) 0.358 5.703 ( -0.000 0.000 -2.842) 2.842 5.703 ( -0.000 0.000 -2.842) 2.842 6.203 ( 0.000 -0.000 2.951) 2.951 6.203 ( 0.000 -0.000 2.951) 2.951 6.254 ( -0.000 0.000 -7.574) 7.574 6.298 ( 0.000 -0.000 0.547) 0.547 6.298 ( 0.000 -0.000 0.547) 0.547 6.976 ( 0.000 -0.000 1.674) 1.674 7.341 ( -0.000 0.000 -0.253) 0.253 7.341 ( -0.000 0.000 -0.253) 0.253 7.792 ( 0.000 -0.000 0.372) 0.372 8.302 ( -0.000 0.000 -0.385) 0.385 8.665 ( -0.000 0.000 -0.090) 0.090 8.665 ( -0.000 0.000 -0.090) 0.090 8.990 ( -0.000 0.000 -0.173) 0.173 9.483 ( 0.000 -0.000 1.775) 1.775 9.483 ( 0.000 -0.000 1.775) 1.775 10.016 ( 0.000 -0.000 3.564) 3.564 10.613 ( 0.000 -0.000 1.267) 1.267 10.613 ( 0.000 -0.000 1.267) 1.267 11.659 ( 0.000 -0.000 1.043) 1.043======================= Grid point 185 (59/85) =======================q-point: ( 0.33 0.22 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.948 ( 22.581 13.037 12.600) 28.960 1.020 ( 19.012 10.977 12.000) 25.019 1.688 ( 8.815 5.089 31.320) 32.932 2.714 ( -1.625 -0.938 -12.237) 12.380 2.818 ( 5.101 2.945 -10.761) 12.268 3.266 ( -4.633 -2.675 -1.321) 5.510 3.427 ( 2.242 1.294 -3.532) 4.380 3.472 ( 0.801 0.463 -0.321) 0.979 4.090 ( -1.299 -0.750 -3.535) 3.840 4.180 ( -4.217 -2.435 1.291) 5.038 4.384 ( 4.955 2.861 1.270) 5.861 4.835 ( -4.600 -2.656 -4.500) 6.961 4.889 ( -0.080 -0.046 -1.980) 1.982 4.983 ( 1.948 1.124 -0.795) 2.385 5.112 ( 0.132 0.076 0.740) 0.755 5.137 ( 2.018 1.165 -1.118) 2.584 5.508 ( -3.819 -2.205 0.399) 4.428 5.546 ( -0.342 -0.197 0.552) 0.678 5.707 ( 1.416 0.818 -2.095) 2.657 5.725 ( 1.165 0.673 -3.363) 3.623 6.110 ( -5.726 -3.306 -1.303) 6.739 6.119 ( -4.465 -2.578 2.023) 5.538 6.252 ( -1.080 -0.624 0.001) 1.248 6.355 ( 6.019 3.475 -0.193) 6.953 6.377 ( 3.002 1.733 1.187) 3.664 6.797 ( -11.757 -6.788 5.536) 14.661 7.323 ( -1.161 -0.670 -0.194) 1.354 7.390 ( 1.152 0.665 -1.607) 2.086 7.729 ( -4.118 -2.378 2.297) 5.281 8.281 ( -0.633 -0.365 -0.860) 1.128 8.668 ( 0.218 0.126 -0.110) 0.274 8.778 ( 6.481 3.742 -2.758) 7.976 8.996 ( 0.616 0.356 -0.168) 0.731 9.500 ( 0.601 0.347 1.654) 1.794 9.504 ( 1.038 0.599 1.471) 1.897 9.994 ( -2.813 -1.624 3.984) 5.141 10.617 ( -0.378 -0.218 1.206) 1.283 10.629 ( 0.773 0.447 1.058) 1.385 11.596 ( -4.705 -2.716 2.872) 6.145======================= Grid point 186 (60/85) =======================q-point: ( 0.44 0.22 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.496 ( 19.624 11.330 10.541) 24.992 1.504 ( 19.669 11.356 7.137) 23.807 2.121 ( 18.305 10.568 18.116) 27.838 2.596 ( -3.247 -1.875 -10.688) 11.327 2.884 ( 5.027 2.903 -6.816) 8.953 3.167 ( -3.986 -2.302 0.793) 4.671 3.415 ( -1.193 -0.689 -5.846) 6.006 3.512 ( 3.099 1.789 -0.997) 3.715 3.989 ( -7.851 -4.533 4.690) 10.207 4.142 ( 1.331 0.768 -3.526) 3.846 4.481 ( 3.634 2.098 -1.663) 4.513 4.727 ( -2.318 -1.339 -4.547) 5.277 4.885 ( 0.667 0.385 -1.367) 1.569 5.022 ( 1.355 0.783 0.062) 1.566 5.116 ( -0.086 -0.050 0.515) 0.524 5.161 ( 1.147 0.662 -2.752) 3.054 5.394 ( -6.737 -3.890 1.018) 7.846 5.544 ( -1.017 -0.587 -0.645) 1.340 5.690 ( -1.729 -0.998 -0.702) 2.116 5.733 ( 1.675 0.967 -1.044) 2.198 6.041 ( -0.783 -0.452 -0.673) 1.127 6.047 ( -2.942 -1.698 1.969) 3.926 6.204 ( -2.361 -1.363 -1.489) 3.107 6.433 ( 1.748 1.009 0.502) 2.080 6.499 ( 6.550 3.782 0.974) 7.625 6.595 ( -9.488 -5.478 4.582) 11.875 7.292 ( -1.530 -0.883 0.042) 1.767 7.348 ( -3.954 -2.283 -0.790) 4.634 7.669 ( -2.436 -1.406 1.535) 3.204 8.270 ( 0.122 0.071 -1.289) 1.297 8.673 ( 0.229 0.132 -0.175) 0.317 8.865 ( 2.875 1.660 -1.713) 3.736 9.013 ( 0.965 0.557 -0.145) 1.124 9.523 ( 0.728 0.420 1.300) 1.548 9.539 ( 1.441 0.832 1.385) 2.165 9.959 ( -2.038 -1.177 2.691) 3.575 10.610 ( -0.825 -0.477 0.872) 1.292 10.652 ( 0.751 0.434 1.055) 1.366 11.517 ( -3.876 -2.238 2.366) 5.063======================= Grid point 187 (61/85) =======================q-point: ( 0.56 0.22 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.897 ( 13.889 8.019 5.591) 16.984 1.899 ( 12.868 7.429 -0.683) 14.875 2.488 ( -1.222 -0.706 -3.633) 3.898 2.582 ( 13.164 7.600 3.124) 15.518 2.944 ( 2.751 1.589 -0.387) 3.201 3.113 ( -2.022 -1.167 3.722) 4.394 3.342 ( -0.822 -0.474 -1.330) 1.634 3.582 ( 3.833 2.213 -3.217) 5.472 3.863 ( -5.596 -3.231 6.095) 8.883 4.177 ( 3.160 1.824 -2.647) 4.507 4.511 ( 1.131 0.653 -5.815) 5.959 4.686 ( -0.066 -0.038 -2.473) 2.474 4.908 ( 1.695 0.978 -0.069) 1.958 5.034 ( 0.219 0.126 -1.298) 1.323 5.105 ( -1.513 -0.874 -0.346) 1.781 5.162 ( 0.236 0.136 -2.439) 2.454 5.254 ( -6.109 -3.527 3.635) 7.935 5.453 ( -5.836 -3.369 -0.864) 6.794 5.710 ( 3.086 1.781 -0.044) 3.563 5.762 ( 1.236 0.713 -0.377) 1.476 6.013 ( -1.206 -0.696 1.777) 2.258 6.028 ( -0.652 -0.376 -0.616) 0.973 6.145 ( -2.127 -1.228 -2.099) 3.230 6.432 ( -6.610 -3.816 1.934) 7.874 6.459 ( 0.631 0.364 -0.265) 0.775 6.647 ( 5.872 3.390 2.350) 7.176 7.229 ( -6.260 -3.614 -0.486) 7.245 7.262 ( -1.229 -0.710 0.325) 1.456 7.632 ( -1.493 -0.862 0.075) 1.726 8.271 ( 0.523 0.302 -0.866) 1.056 8.676 ( 0.153 0.089 -0.258) 0.313 8.896 ( 0.863 0.498 -0.691) 1.213 9.034 ( 0.887 0.512 -0.099) 1.029 9.542 ( 0.399 0.230 0.882) 0.995 9.577 ( 1.196 0.690 1.551) 2.076 9.936 ( -1.054 -0.609 1.213) 1.718 10.593 ( -0.986 -0.570 0.406) 1.209 10.671 ( 0.404 0.233 1.087) 1.183 11.454 ( -2.799 -1.616 1.315) 3.489======================= Grid point 188 (62/85) =======================q-point: ( 0.67 0.22 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.953 ( -4.004 -2.312 -10.371) 11.355 2.185 ( 11.599 6.697 -1.552) 13.483 2.514 ( -12.908 -7.452 -8.375) 17.096 2.600 ( 9.614 5.551 6.592) 12.911 3.010 ( -1.756 -1.014 4.415) 4.858 3.118 ( -0.200 -0.115 6.231) 6.235 3.486 ( 9.041 5.220 9.834) 14.342 3.617 ( 1.296 0.748 -6.092) 6.273 3.828 ( 0.438 0.253 4.042) 4.074 4.243 ( 3.632 2.097 -0.992) 4.310 4.478 ( -0.540 -0.312 -8.244) 8.267 4.678 ( -0.160 -0.093 -1.024) 1.041 4.934 ( 0.355 0.205 -0.200) 0.456 5.024 ( -0.519 -0.300 -4.169) 4.212 5.045 ( -2.034 -1.174 -0.447) 2.391 5.140 ( -0.870 -0.503 0.632) 1.187 5.211 ( -0.964 -0.556 5.924) 6.027 5.359 ( -0.843 -0.486 -1.137) 1.496 5.776 ( 2.074 1.197 -0.540) 2.455 5.780 ( 0.569 0.328 -0.047) 0.658 6.004 ( -0.736 -0.425 -1.057) 1.357 6.008 ( -0.284 -0.164 1.564) 1.598 6.082 ( -2.592 -1.497 -2.472) 3.882 6.344 ( -2.158 -1.246 1.672) 3.001 6.461 ( -0.122 -0.070 -0.783) 0.795 6.775 ( 4.398 2.539 2.002) 5.459 7.088 ( -5.780 -3.337 -0.810) 6.723 7.246 ( -0.383 -0.221 0.512) 0.676 7.604 ( -0.845 -0.488 -0.923) 1.343 8.283 ( 0.870 0.502 -0.306) 1.050 8.676 ( 0.044 0.025 -0.319) 0.323 8.904 ( 0.238 0.137 -0.266) 0.382 9.048 ( 0.402 0.232 -0.034) 0.466 9.548 ( -0.251 -0.145 0.565) 0.635 9.604 ( 0.332 0.192 1.687) 1.730 9.922 ( -0.720 -0.415 0.383) 0.915 10.574 ( -0.742 -0.428 0.030) 0.857 10.680 ( -0.112 -0.065 1.082) 1.090 11.413 ( -1.486 -0.858 0.669) 1.842======================= Grid point 189 (63/85) =======================q-point: (-0.22 0.22 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.721 ( -11.356 -6.557 -8.693) 15.733 2.069 ( -19.322 -11.156 -4.885) 22.840 2.446 ( 10.620 6.132 -6.048) 13.674 2.864 ( 10.139 5.854 5.503) 12.936 2.867 ( -14.208 -8.203 8.495) 18.475 3.158 ( 0.222 0.128 6.704) 6.709 3.572 ( -1.594 -0.920 -6.581) 6.834 3.611 ( -1.612 -0.931 3.130) 3.642 3.967 ( 7.966 4.599 6.696) 11.377 4.303 ( 1.729 0.998 -0.739) 2.129 4.391 ( -3.135 -1.810 -8.821) 9.535 4.673 ( 1.014 0.585 -0.331) 1.216 4.947 ( 1.373 0.793 -0.369) 1.628 4.955 ( -2.245 -1.296 -4.313) 5.032 5.044 ( 1.879 1.085 -0.409) 2.208 5.170 ( 2.019 1.166 0.349) 2.358 5.237 ( 0.047 0.027 5.665) 5.665 5.426 ( 7.076 4.085 0.430) 8.182 5.764 ( -2.434 -1.405 -1.316) 3.103 5.789 ( 0.226 0.131 0.200) 0.329 5.985 ( -1.110 -0.641 -3.124) 3.377 6.013 ( -0.021 -0.012 1.461) 1.462 6.035 ( 0.235 0.136 0.191) 0.332 6.350 ( 1.719 0.993 0.765) 2.128 6.448 ( -0.647 -0.373 -0.930) 1.193 6.801 ( -4.004 -2.312 0.860) 4.703 7.035 ( 2.538 1.465 -0.078) 2.932 7.252 ( 0.653 0.377 0.536) 0.925 7.589 ( 0.033 0.019 -1.042) 1.043 8.302 ( 0.893 0.516 -0.267) 1.065 8.674 ( -0.053 -0.030 -0.328) 0.333 8.909 ( 0.372 0.215 -0.074) 0.436 9.049 ( -0.275 -0.159 0.007) 0.318 9.538 ( -0.934 -0.540 0.481) 1.181 9.608 ( -0.803 -0.464 1.611) 1.859 9.907 ( -0.882 -0.509 0.222) 1.042 10.564 ( -0.188 -0.108 -0.060) 0.225 10.678 ( -0.613 -0.354 1.055) 1.271 11.399 ( -0.096 -0.055 0.592) 0.602======================= Grid point 194 (64/85) =======================q-point: ( 0.33 0.33 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.847 ( 0.000 11.420 14.570) 18.512 1.218 ( 0.000 30.342 11.641) 32.498 1.839 ( 0.000 5.868 27.008) 27.638 2.699 ( -0.000 2.149 -9.884) 10.115 2.712 ( -0.000 2.485 -11.049) 11.325 3.281 ( -0.000 -1.710 -1.465) 2.252 3.386 ( -0.000 -0.264 -3.837) 3.846 3.474 ( -0.000 1.624 -0.706) 1.771 4.070 ( -0.000 0.618 -4.876) 4.915 4.216 ( 0.000 -3.327 3.726) 4.995 4.376 ( 0.000 3.723 1.427) 3.987 4.778 ( -0.000 -7.604 -5.606) 9.447 4.917 ( -0.000 1.350 -0.605) 1.479 4.957 ( -0.000 1.058 -2.643) 2.847 5.102 ( -0.000 0.104 -0.680) 0.688 5.147 ( 0.000 2.833 -0.244) 2.843 5.511 ( -0.000 -4.087 0.373) 4.104 5.544 ( 0.000 -1.331 0.730) 1.518 5.699 ( -0.000 2.256 -2.056) 3.053 5.724 ( -0.000 3.894 -2.651) 4.711 6.092 ( -0.000 -6.521 -2.228) 6.891 6.176 ( 0.000 -1.936 0.626) 2.035 6.220 ( 0.000 -4.791 1.740) 5.097 6.317 ( 0.000 3.949 1.170) 4.119 6.387 ( 0.000 3.005 -0.055) 3.005 6.846 ( 0.000 -10.171 4.996) 11.332 7.333 ( -0.000 -0.783 -0.261) 0.826 7.354 ( -0.000 -0.976 -1.481) 1.774 7.741 ( 0.000 -4.218 1.793) 4.583 8.276 ( -0.000 -0.984 -0.644) 1.176 8.663 ( -0.000 0.009 -0.065) 0.066 8.773 ( -0.000 7.714 -2.252) 8.036 8.996 ( -0.000 0.731 -0.162) 0.749 9.507 ( 0.000 0.574 1.583) 1.684 9.517 ( 0.000 1.552 1.380) 2.076 10.015 ( 0.000 -3.373 3.655) 4.973 10.618 ( 0.000 -0.784 1.216) 1.447 10.642 ( 0.000 1.270 1.020) 1.628 11.612 ( 0.000 -4.962 2.326) 5.480======================= Grid point 195 (65/85) =======================q-point: ( 0.44 0.33 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.237 ( 20.070 11.612 11.033) 25.678 1.609 ( 5.390 26.348 10.539) 28.885 2.072 ( 7.797 6.048 12.523) 15.944 2.619 ( -3.440 3.966 -6.961) 8.719 2.767 ( 6.205 1.903 -6.420) 9.129 3.231 ( -4.137 0.708 0.186) 4.201 3.377 ( 1.479 -0.843 -5.007) 5.289 3.494 ( 0.996 2.248 -0.984) 2.648 4.053 ( -0.895 0.314 -2.683) 2.846 4.161 ( -4.756 -2.650 4.497) 7.061 4.438 ( 2.773 1.986 -1.099) 3.583 4.676 ( 0.573 -5.709 -6.263) 8.494 4.899 ( -1.664 1.241 -0.386) 2.111 4.985 ( 2.810 -0.111 -1.093) 3.017 5.090 ( -0.657 -1.186 -1.332) 1.901 5.179 ( 0.640 3.350 -0.768) 3.496 5.438 ( -3.637 -5.141 0.550) 6.322 5.546 ( 0.582 -0.002 -0.263) 0.639 5.698 ( -1.093 0.648 -0.641) 1.423 5.748 ( -0.322 2.822 -1.553) 3.237 6.010 ( -0.893 -4.731 -0.563) 4.847 6.119 ( -3.788 -0.720 1.465) 4.125 6.192 ( 0.097 -3.743 -0.227) 3.752 6.392 ( 2.642 -0.062 -0.710) 2.737 6.440 ( 4.601 2.621 1.455) 5.491 6.724 ( -7.493 -5.132 4.676) 10.215 7.297 ( -1.359 -2.616 -0.506) 2.991 7.345 ( 0.342 -2.770 -0.893) 2.930 7.695 ( -1.952 -3.233 1.683) 4.134 8.265 ( -0.107 -0.022 -1.026) 1.032 8.668 ( 0.460 0.145 -0.093) 0.491 8.840 ( 1.761 4.168 -1.747) 4.851 9.008 ( 0.527 0.956 -0.139) 1.101 9.528 ( 0.661 0.783 1.235) 1.604 9.542 ( 0.348 1.861 1.160) 2.221 9.987 ( -1.537 -2.787 2.733) 4.195 10.615 ( -0.121 -1.019 0.943) 1.393 10.659 ( 0.037 1.204 0.889) 1.497 11.555 ( -2.533 -4.154 2.102) 5.300======================= Grid point 196 (66/85) =======================q-point: ( 0.56 0.33 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.708 ( 17.216 9.037 6.435) 20.481 1.952 ( 4.057 19.667 4.398) 20.557 2.276 ( 10.407 -4.533 -1.001) 11.395 2.656 ( 1.457 13.350 -1.117) 13.475 2.861 ( 6.651 0.215 -1.062) 6.738 3.166 ( -4.900 -1.149 0.726) 5.085 3.362 ( 0.234 3.056 -2.292) 3.827 3.544 ( 2.313 3.150 -1.020) 4.039 3.973 ( -7.075 -3.251 5.477) 9.519 4.136 ( 1.634 0.566 -0.483) 1.795 4.460 ( 1.076 -0.555 -5.622) 5.751 4.643 ( 2.585 -1.318 -4.285) 5.175 4.896 ( 0.167 0.121 1.267) 1.283 5.014 ( 1.128 -0.692 -0.754) 1.523 5.052 ( 0.537 -2.857 -2.587) 3.892 5.213 ( -0.674 3.870 -0.407) 3.949 5.316 ( -5.026 -5.126 1.620) 7.360 5.526 ( -4.065 -0.220 -0.899) 4.169 5.683 ( 0.416 0.253 0.726) 0.874 5.761 ( 0.607 1.266 -0.752) 1.593 5.976 ( 0.747 -3.195 0.009) 3.281 6.077 ( -2.197 0.359 1.180) 2.520 6.151 ( -1.279 -1.865 -1.166) 2.545 6.395 ( 0.950 -3.747 -0.817) 3.951 6.549 ( 0.698 2.688 -0.657) 2.853 6.609 ( -2.004 -1.003 5.028) 5.505 7.229 ( -2.035 -5.625 -1.032) 6.070 7.307 ( -2.201 -0.635 0.281) 2.308 7.644 ( -1.642 -2.426 0.584) 2.987 8.263 ( 0.318 0.532 -0.846) 1.049 8.677 ( 0.189 0.536 -0.186) 0.597 8.880 ( 1.063 1.008 -0.761) 1.651 9.027 ( 0.723 0.939 -0.092) 1.189 9.549 ( 0.230 0.851 0.764) 1.166 9.576 ( 0.956 1.504 1.219) 2.159 9.953 ( -1.287 -1.625 1.375) 2.488 10.603 ( -0.676 -0.858 0.464) 1.187 10.675 ( 0.185 0.661 0.887) 1.121 11.486 ( -2.673 -2.955 1.290) 4.188======================= Grid point 197 (67/85) =======================q-point: ( 0.67 0.33 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.963 ( 1.405 6.126 -6.290) 8.892 2.109 ( 3.439 7.616 -1.883) 8.566 2.446 ( 10.248 1.728 5.048) 11.554 2.688 ( -7.286 3.243 -5.118) 9.476 3.002 ( 5.330 3.152 1.786) 6.445 3.095 ( 1.883 -4.721 3.684) 6.277 3.473 ( 4.850 6.890 3.598) 9.162 3.601 ( 1.188 4.113 -0.011) 4.281 3.878 ( -4.363 -2.121 6.270) 7.928 4.184 ( 4.044 -0.154 -1.689) 4.386 4.422 ( 0.470 -1.452 -6.632) 6.805 4.653 ( 1.130 -0.692 -2.735) 3.038 4.903 ( 0.807 -2.902 -0.134) 3.015 5.004 ( 0.879 -0.176 -1.123) 1.438 5.033 ( -0.277 -0.560 -2.284) 2.368 5.206 ( -1.756 0.107 2.931) 3.419 5.254 ( -2.215 0.803 1.728) 2.922 5.416 ( -6.403 0.381 -0.952) 6.484 5.728 ( 2.925 0.879 -0.053) 3.055 5.779 ( 1.340 -0.250 -0.441) 1.433 5.960 ( 0.632 -2.425 -0.359) 2.532 6.054 ( -1.804 -0.280 1.277) 2.228 6.104 ( -2.270 -0.125 -1.686) 2.830 6.354 ( -0.837 -3.537 0.607) 3.685 6.502 ( -3.950 2.568 -0.499) 4.738 6.704 ( 6.444 -0.195 2.015) 6.755 7.118 ( -3.755 -5.916 -0.945) 7.071 7.275 ( -2.015 0.747 0.694) 2.258 7.604 ( -0.896 -1.645 -0.565) 1.957 8.275 ( 0.673 0.769 -0.367) 1.086 8.682 ( -0.218 0.853 -0.276) 0.922 8.892 ( 0.621 -0.481 -0.211) 0.813 9.045 ( 0.497 0.663 -0.026) 0.830 9.558 ( -0.306 0.539 0.454) 0.769 9.609 ( 0.653 0.824 1.329) 1.695 9.930 ( -0.731 -0.947 0.467) 1.285 10.585 ( -0.888 -0.451 0.060) 0.998 10.685 ( 0.059 0.018 0.908) 0.910 11.431 ( -1.832 -1.816 0.648) 2.660======================= Grid point 198 (68/85) =======================q-point: (-0.22 0.33 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.854 ( -11.029 3.391 -7.001) 13.496 2.230 ( -4.405 0.172 -4.508) 6.306 2.367 ( -4.582 3.152 -5.504) 7.825 2.789 ( 8.384 5.188 5.840) 11.459 3.042 ( -4.782 -0.627 6.001) 7.699 3.135 ( 3.296 -5.078 6.277) 8.721 3.517 ( -0.597 -2.863 -3.739) 4.747 3.667 ( -1.545 0.724 3.259) 3.679 3.931 ( 5.959 5.429 4.232) 9.104 4.223 ( 4.537 -3.486 -5.041) 7.625 4.397 ( -0.644 2.487 -3.745) 4.542 4.636 ( 1.180 -3.295 0.505) 3.536 4.875 ( 1.753 -2.972 -3.480) 4.901 5.000 ( -2.903 0.607 -1.210) 3.203 5.034 ( 0.573 1.592 -0.215) 1.706 5.204 ( -2.156 2.120 1.573) 3.408 5.246 ( 0.931 -0.343 3.844) 3.970 5.397 ( 2.011 5.265 -1.090) 5.740 5.758 ( 0.640 -1.374 -0.132) 1.522 5.788 ( 0.183 -0.721 -0.523) 0.910 5.949 ( 0.941 -1.323 -1.892) 2.493 6.027 ( -0.967 -1.171 1.276) 1.983 6.066 ( -2.128 1.524 -0.123) 2.620 6.334 ( 0.777 -0.975 0.468) 1.332 6.472 ( -2.142 2.038 -0.922) 3.097 6.786 ( 2.830 -3.210 0.696) 4.335 7.021 ( -1.016 -2.205 0.101) 2.430 7.263 ( -0.885 0.904 0.598) 1.399 7.581 ( -0.035 -0.533 -0.924) 1.067 8.293 ( 0.749 0.694 -0.279) 1.059 8.682 ( -0.525 0.948 -0.309) 1.127 8.896 ( 0.766 -0.779 0.009) 1.093 9.053 ( -0.063 0.256 0.021) 0.264 9.554 ( -0.880 0.135 0.379) 0.968 9.623 ( -0.325 -0.094 1.321) 1.363 9.914 ( -0.570 -0.744 0.231) 0.965 10.570 ( -0.591 0.057 -0.067) 0.598 10.686 ( -0.268 -0.526 0.940) 1.110 11.403 ( -0.513 -0.796 0.495) 1.068======================= Grid point 204 (69/85) =======================q-point: ( 0.44 0.44 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.259 ( 0.000 14.742 12.414) 19.273 1.880 ( 0.000 21.720 14.513) 26.123 2.105 ( -0.000 7.657 -1.859) 7.879 2.657 ( -0.000 4.239 -10.546) 11.366 2.712 ( 0.000 3.808 3.732) 5.332 3.310 ( -0.000 -2.825 -2.974) 4.102 3.313 ( 0.000 6.579 -0.605) 6.607 3.499 ( -0.000 2.189 -1.785) 2.825 4.046 ( -0.000 1.482 -3.343) 3.656 4.223 ( 0.000 -1.759 5.844) 6.103 4.411 ( -0.000 -1.773 -1.843) 2.557 4.576 ( -0.000 -4.486 -5.467) 7.072 4.930 ( -0.000 0.716 -0.813) 1.083 4.939 ( -0.000 -1.089 -0.201) 1.107 5.100 ( -0.000 0.406 -0.704) 0.813 5.185 ( -0.000 2.067 -1.337) 2.462 5.426 ( -0.000 -4.862 0.278) 4.870 5.532 ( -0.000 -0.489 -0.498) 0.698 5.729 ( -0.000 2.454 -1.126) 2.700 5.746 ( -0.000 -0.510 -1.527) 1.609 5.981 ( -0.000 -2.979 0.314) 2.996 6.144 ( -0.000 -3.888 -0.153) 3.891 6.148 ( 0.000 -2.537 1.081) 2.758 6.389 ( 0.000 2.060 1.475) 2.534 6.410 ( 0.000 -0.373 0.773) 0.858 6.764 ( 0.000 -3.631 2.626) 4.481 7.277 ( -0.000 -5.110 -0.255) 5.116 7.308 ( -0.000 -1.428 -0.334) 1.466 7.685 ( 0.000 -3.874 1.336) 4.098 8.261 ( -0.000 0.211 -0.935) 0.959 8.664 ( 0.000 0.093 0.041) 0.101 8.860 ( -0.000 3.784 -1.441) 4.050 9.013 ( 0.000 1.170 -0.125) 1.176 9.535 ( 0.000 0.790 0.998) 1.273 9.567 ( 0.000 2.460 0.652) 2.545 9.983 ( 0.000 -3.095 2.062) 3.719 10.610 ( 0.000 -1.252 0.885) 1.533 10.676 ( 0.000 1.295 0.511) 1.392 11.542 ( 0.000 -4.655 1.527) 4.899======================= Grid point 205 (70/85) =======================q-point: ( 0.56 0.44 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.584 ( 13.963 11.099 10.386) 20.640 2.103 ( 4.585 1.786 9.203) 10.436 2.181 ( -2.202 16.942 -5.772) 18.033 2.685 ( 4.094 5.527 -7.264) 10.004 2.805 ( 2.628 6.305 4.362) 8.105 3.241 ( -4.493 -1.443 -2.434) 5.310 3.375 ( 0.334 6.883 -1.792) 7.120 3.540 ( 2.655 3.868 -0.229) 4.697 4.041 ( -0.774 0.681 -1.753) 2.034 4.169 ( -5.815 -3.637 6.019) 9.126 4.389 ( 2.579 -2.740 -6.032) 7.110 4.564 ( 2.713 0.038 -1.447) 3.075 4.911 ( -0.960 -0.744 1.474) 1.910 4.964 ( 2.587 -0.515 -0.643) 2.715 5.057 ( -3.417 -0.764 -1.496) 3.808 5.223 ( 2.110 1.868 -0.586) 2.879 5.347 ( -3.706 -4.168 -0.101) 5.579 5.532 ( 1.435 -1.951 -1.365) 2.780 5.702 ( -1.274 -0.271 0.030) 1.303 5.757 ( -0.197 0.387 -0.839) 0.945 5.955 ( -0.788 -1.105 0.752) 1.552 6.106 ( -1.346 -1.779 0.256) 2.246 6.132 ( 0.857 -2.448 0.141) 2.597 6.367 ( -1.429 -1.096 0.016) 1.801 6.488 ( 5.468 -0.124 2.461) 5.998 6.706 ( -5.059 -0.306 0.463) 5.089 7.205 ( -2.097 -5.521 -0.149) 5.908 7.307 ( 0.905 -1.396 0.175) 1.673 7.644 ( -1.180 -3.443 0.716) 3.709 8.261 ( 0.166 0.656 -0.708) 0.979 8.672 ( 0.686 0.238 0.046) 0.728 8.881 ( -0.023 1.635 -0.765) 1.805 9.027 ( 0.411 1.141 -0.094) 1.217 9.552 ( 0.591 0.633 0.623) 1.066 9.592 ( 0.022 2.280 0.347) 2.306 9.959 ( -0.777 -2.170 1.081) 2.546 10.602 ( -0.060 -1.240 0.559) 1.361 10.687 ( -0.198 0.941 0.284) 1.002 11.494 ( -1.438 -3.797 0.857) 4.150======================= Grid point 206 (71/85) =======================q-point: ( 0.67 0.44 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.921 ( 9.598 6.394 3.579) 12.076 2.138 ( -0.112 1.325 -4.639) 4.825 2.381 ( 8.165 13.901 5.799) 17.133 2.733 ( 0.872 -1.346 -1.635) 2.290 2.974 ( 5.230 9.894 -0.373) 11.197 3.085 ( -7.163 -4.025 -3.269) 8.843 3.474 ( 3.790 5.745 -0.123) 6.884 3.633 ( 2.085 5.855 2.138) 6.573 3.986 ( -5.948 -1.483 4.661) 7.701 4.097 ( 0.821 -5.688 -1.557) 5.954 4.379 ( 1.114 0.632 -3.579) 3.802 4.609 ( 2.112 0.869 -1.620) 2.800 4.878 ( -1.874 -4.371 0.943) 4.848 4.987 ( 1.010 0.414 0.238) 1.117 5.024 ( 0.888 1.833 -1.719) 2.666 5.230 ( -1.941 -2.176 1.381) 3.226 5.289 ( -0.195 1.281 -0.677) 1.462 5.500 ( -2.254 -2.380 -0.752) 3.363 5.711 ( 0.751 1.534 0.161) 1.716 5.736 ( 0.092 -1.244 -0.377) 1.303 5.946 ( -0.069 -0.792 0.270) 0.840 6.072 ( -1.246 -1.546 0.378) 2.022 6.122 ( -0.340 -0.676 -0.335) 0.828 6.336 ( -0.701 -1.813 0.178) 1.952 6.574 ( 2.482 -1.778 1.477) 3.392 6.634 ( -2.248 2.427 -0.365) 3.328 7.109 ( -2.822 -5.630 -0.388) 6.310 7.305 ( -0.407 -0.421 0.423) 0.722 7.598 ( -1.046 -2.356 0.000) 2.578 8.271 ( 0.506 0.905 -0.288) 1.076 8.687 ( 0.538 0.673 -0.041) 0.862 8.882 ( -0.175 -0.117 -0.222) 0.305 9.044 ( 0.473 0.862 -0.038) 0.984 9.567 ( 0.225 0.390 0.268) 0.524 9.615 ( 0.354 1.432 0.360) 1.518 9.934 ( -0.744 -1.279 0.344) 1.519 10.590 ( -0.344 -0.809 0.164) 0.894 10.691 ( -0.188 0.246 0.261) 0.405 11.442 ( -1.552 -2.516 0.341) 2.976======================= Grid point 207 (72/85) =======================q-point: (-0.22 0.44 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.012 ( -4.145 6.174 -2.709) 7.914 2.189 ( 5.131 3.988 -1.317) 6.631 2.554 ( -11.558 5.662 -6.716) 14.518 2.736 ( 7.454 3.175 5.052) 9.548 2.991 ( 5.558 -6.803 5.807) 10.531 3.125 ( 1.432 4.465 -0.155) 4.692 3.518 ( -1.616 0.010 -1.401) 2.139 3.718 ( -1.048 1.126 4.082) 4.362 3.923 ( -0.893 -1.290 1.034) 1.879 4.069 ( 4.931 -3.284 -4.435) 7.401 4.404 ( 1.204 2.487 -0.216) 2.772 4.609 ( -0.443 -1.810 0.413) 1.908 4.820 ( -0.028 -2.079 -2.238) 3.055 5.029 ( 0.328 1.961 -0.008) 1.988 5.049 ( 0.314 2.547 -0.406) 2.598 5.206 ( 0.352 -2.186 1.435) 2.638 5.290 ( -1.128 0.842 0.817) 1.628 5.446 ( -2.558 3.418 -0.469) 4.295 5.703 ( 1.682 -4.081 -0.335) 4.427 5.779 ( 1.658 2.736 -0.187) 3.205 5.930 ( -0.582 -1.194 -0.517) 1.425 6.035 ( -1.190 -1.960 0.547) 2.358 6.109 ( -1.196 0.872 0.021) 1.480 6.314 ( -0.013 -1.690 0.074) 1.692 6.541 ( -3.524 2.492 -0.751) 4.381 6.690 ( 4.837 -2.196 0.645) 5.351 7.018 ( -1.977 -3.749 -0.010) 4.239 7.292 ( -1.136 0.072 0.358) 1.193 7.572 ( -0.173 -0.790 -0.409) 0.906 8.288 ( 0.552 0.787 -0.120) 0.969 8.699 ( -0.153 1.079 -0.152) 1.100 8.877 ( 0.312 -0.869 0.045) 0.924 9.056 ( 0.167 0.448 0.012) 0.479 9.569 ( -0.422 0.160 0.120) 0.467 9.630 ( 0.096 0.194 0.520) 0.563 9.915 ( -0.460 -0.834 0.103) 0.958 10.579 ( -0.456 -0.162 -0.048) 0.486 10.688 ( -0.170 -0.481 0.391) 0.642 11.405 ( -0.792 -1.328 0.192) 1.558======================= Grid point 214 (73/85) =======================q-point: ( 0.56 0.56 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.619 ( 0.000 8.298 11.416) 14.113 2.085 ( -0.000 1.354 -0.666) 1.509 2.358 ( 0.000 7.870 6.759) 10.374 2.646 ( -0.000 6.923 -9.808) 12.005 2.891 ( 0.000 10.397 3.148) 10.863 3.240 ( -0.000 -1.629 -1.537) 2.239 3.484 ( -0.000 12.208 -3.234) 12.629 3.516 ( -0.000 1.421 -1.241) 1.887 4.026 ( -0.000 -1.850 -3.202) 3.697 4.263 ( -0.000 -3.605 -6.433) 7.374 4.269 ( 0.000 -1.160 7.356) 7.446 4.559 ( 0.000 2.108 2.361) 3.165 4.930 ( 0.000 -0.588 2.253) 2.328 4.931 ( -0.000 0.546 -0.700) 0.888 5.085 ( -0.000 -2.042 0.102) 2.044 5.199 ( -0.000 1.215 -1.942) 2.290 5.349 ( -0.000 -2.435 -1.455) 2.837 5.452 ( -0.000 -7.488 -1.578) 7.653 5.720 ( -0.000 1.290 -0.200) 1.306 5.760 ( -0.000 1.608 -0.392) 1.655 5.973 ( 0.000 -0.854 1.991) 2.166 6.078 ( -0.000 -2.141 -1.322) 2.516 6.107 ( 0.000 -2.491 0.350) 2.515 6.401 ( 0.000 -2.611 2.223) 3.429 6.429 ( 0.000 0.635 1.253) 1.405 6.750 ( -0.000 1.728 -1.431) 2.244 7.180 ( 0.000 -5.841 1.349) 5.995 7.277 ( -0.000 -1.284 -0.428) 1.354 7.625 ( 0.000 -3.275 0.619) 3.333 8.263 ( -0.000 0.805 -0.432) 0.913 8.667 ( 0.000 0.092 0.183) 0.205 8.893 ( -0.000 1.176 -0.528) 1.289 9.034 ( 0.000 1.079 -0.089) 1.083 9.554 ( 0.000 0.461 0.269) 0.533 9.614 ( -0.000 2.000 -0.318) 2.026 9.950 ( 0.000 -1.813 0.527) 1.888 10.592 ( 0.000 -1.319 0.450) 1.394 10.697 ( -0.000 0.751 -0.242) 0.789 11.473 ( -0.000 -3.536 0.305) 3.549======================= Grid point 215 (74/85) =======================q-point: ( 0.67 0.56 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.825 ( 9.971 2.258 8.793) 13.485 2.120 ( 1.445 4.174 -1.272) 4.597 2.426 ( 2.266 0.359 6.484) 6.877 2.690 ( 2.034 5.212 -5.615) 7.927 3.014 ( 1.626 9.918 0.150) 10.051 3.176 ( -6.666 -0.137 -4.854) 8.248 3.480 ( -0.330 3.583 0.244) 3.607 3.646 ( 4.370 7.766 -2.650) 9.296 3.971 ( 0.525 -5.320 -4.862) 7.226 4.152 ( -6.848 -0.858 3.809) 7.883 4.345 ( 3.136 1.165 1.038) 3.503 4.605 ( 0.496 2.250 2.577) 3.457 4.892 ( -3.481 -3.033 1.082) 4.742 4.976 ( 2.273 1.800 1.151) 3.119 5.028 ( -1.619 -0.646 -0.639) 1.857 5.235 ( 2.070 0.076 -0.458) 2.122 5.289 ( -1.654 -1.220 -2.324) 3.103 5.415 ( 3.749 -6.368 -0.944) 7.450 5.728 ( -0.611 2.696 0.024) 2.765 5.771 ( -1.474 0.922 0.468) 1.801 5.946 ( -1.423 -1.301 1.156) 2.248 6.074 ( -0.529 -1.545 -0.717) 1.783 6.089 ( 2.066 -1.893 -0.040) 2.802 6.353 ( -2.303 -1.377 0.601) 2.750 6.485 ( 4.294 -1.898 1.438) 4.910 6.733 ( -3.981 3.909 -1.307) 5.731 7.104 ( -2.649 -5.602 0.599) 6.226 7.284 ( 1.661 -1.147 -0.250) 2.034 7.594 ( -0.802 -2.138 0.556) 2.350 8.272 ( 0.303 0.962 -0.083) 1.012 8.678 ( 0.939 0.175 0.212) 0.978 8.892 ( -0.763 0.350 -0.217) 0.867 9.045 ( 0.306 0.785 -0.057) 0.845 9.562 ( 0.508 0.072 -0.011) 0.513 9.626 ( -0.015 1.252 -0.648) 1.410 9.933 ( -0.477 -1.202 0.074) 1.296 10.584 ( 0.126 -1.042 0.220) 1.072 10.697 ( -0.311 0.246 -0.481) 0.624 11.438 ( -0.778 -2.501 -0.088) 2.620======================= Grid point 224 (75/85) =======================q-point: (-0.33 -0.33 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.783 ( 0.000 -3.449 9.693) 10.288 2.165 ( 0.000 7.193 1.184) 7.289 2.377 ( 0.000 -11.675 7.456) 13.852 2.717 ( -0.000 10.789 -7.635) 13.217 3.068 ( -0.000 3.232 -2.601) 4.149 3.208 ( -0.000 0.198 -3.114) 3.120 3.533 ( 0.000 -0.130 2.743) 2.746 3.640 ( -0.000 8.540 -8.038) 11.728 3.903 ( -0.000 -1.009 -4.511) 4.622 4.239 ( -0.000 3.345 -0.720) 3.422 4.337 ( 0.000 -1.178 8.526) 8.607 4.644 ( 0.000 1.944 3.185) 3.732 4.935 ( -0.000 0.185 -0.156) 0.242 4.958 ( 0.000 -0.555 2.670) 2.727 5.039 ( 0.000 -2.021 0.290) 2.041 5.166 ( -0.000 -1.889 -1.811) 2.617 5.296 ( -0.000 -0.343 -4.139) 4.154 5.338 ( 0.000 -0.802 1.103) 1.363 5.767 ( 0.000 1.869 0.502) 1.935 5.780 ( 0.000 0.776 0.019) 0.776 5.970 ( 0.000 -1.627 2.657) 3.116 6.036 ( -0.000 -0.624 -1.678) 1.791 6.064 ( -0.000 -2.139 -0.127) 2.143 6.360 ( -0.000 -2.197 -0.160) 2.203 6.445 ( 0.000 -0.162 1.078) 1.090 6.801 ( -0.000 4.110 -0.966) 4.222 7.077 ( -0.000 -5.921 0.464) 5.939 7.255 ( -0.000 -0.426 -0.510) 0.665 7.588 ( 0.000 -1.357 0.888) 1.622 8.279 ( 0.000 1.033 0.148) 1.043 8.671 ( 0.000 0.036 0.298) 0.300 8.902 ( -0.000 0.336 -0.083) 0.346 9.048 ( 0.000 0.484 -0.050) 0.486 9.556 ( -0.000 -0.284 -0.318) 0.427 9.629 ( -0.000 0.513 -1.248) 1.350 9.927 ( -0.000 -0.980 -0.149) 0.991 10.573 ( 0.000 -0.899 0.131) 0.909 10.697 ( -0.000 -0.069 -0.909) 0.912 11.422 ( -0.000 -1.787 -0.410) 1.833======================= Grid point 275 (76/85) =======================q-point: ( 0.33 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 85Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.874 ( 0.000 -0.000 13.305) 13.305 0.874 ( 0.000 -0.000 13.305) 13.305 1.959 ( 0.000 -0.000 28.963) 28.963 2.618 ( -0.000 0.000 -10.324) 10.324 2.618 ( -0.000 0.000 -10.324) 10.324 3.328 ( -0.000 0.000 -2.955) 2.955 3.328 ( -0.000 0.000 -2.955) 2.955 3.461 ( -0.000 0.000 -0.536) 0.536 4.041 ( -0.000 0.000 -4.133) 4.133 4.306 ( 0.000 -0.000 2.378) 2.378 4.306 ( 0.000 -0.000 2.378) 2.378 4.880 ( -0.000 0.000 -8.281) 8.281 4.887 ( -0.000 0.000 -0.851) 0.851 4.887 ( -0.000 0.000 -0.851) 0.851 5.106 ( -0.000 0.000 -0.304) 0.304 5.106 ( -0.000 0.000 -0.304) 0.304 5.557 ( 0.000 -0.000 0.485) 0.485 5.576 ( 0.000 -0.000 1.798) 1.798 5.659 ( -0.000 0.000 -2.281) 2.281 5.659 ( -0.000 0.000 -2.281) 2.281 6.139 ( -0.000 0.000 -5.872) 5.872 6.238 ( 0.000 -0.000 1.157) 1.157 6.238 ( 0.000 -0.000 1.157) 1.157 6.317 ( 0.000 -0.000 1.727) 1.727 6.317 ( 0.000 -0.000 1.727) 1.727 7.002 ( 0.000 -0.000 1.273) 1.273 7.337 ( -0.000 0.000 -0.208) 0.208 7.337 ( -0.000 0.000 -0.208) 0.208 7.792 ( -0.000 0.000 -0.224) 0.224 8.300 ( 0.000 -0.000 0.067) 0.067 8.664 ( -0.000 0.000 -0.086) 0.086 8.664 ( -0.000 0.000 -0.086) 0.086 8.988 ( -0.000 0.000 -0.152) 0.152 9.510 ( 0.000 -0.000 1.465) 1.465 9.510 ( 0.000 -0.000 1.465) 1.465 10.072 ( 0.000 -0.000 3.026) 3.026 10.633 ( 0.000 -0.000 1.152) 1.152 10.633 ( 0.000 -0.000 1.152) 1.152 11.676 ( 0.000 -0.000 0.900) 0.900======================= Grid point 276 (77/85) =======================q-point: ( 0.44 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.163 ( 20.574 11.879 12.706) 26.941 1.178 ( 15.724 9.078 6.327) 19.227 2.115 ( 2.220 1.282 18.550) 18.727 2.539 ( -1.359 -0.785 -8.143) 8.293 2.665 ( 7.087 4.092 -6.613) 10.522 3.250 ( -3.185 -1.839 -0.280) 3.689 3.352 ( 1.091 0.630 -4.842) 5.003 3.465 ( 0.795 0.459 -0.431) 1.014 4.026 ( 0.566 0.327 -3.230) 3.295 4.245 ( -4.344 -2.508 5.216) 7.236 4.388 ( 3.227 1.863 -0.880) 3.829 4.739 ( -4.895 -2.826 -6.656) 8.732 4.871 ( -0.092 -0.053 -0.168) 0.199 4.957 ( 3.251 1.877 -2.032) 4.269 5.112 ( 0.260 0.150 -0.535) 0.613 5.118 ( 1.194 0.689 -0.748) 1.568 5.513 ( -3.742 -2.160 0.228) 4.327 5.559 ( -1.223 -0.706 0.495) 1.496 5.678 ( 2.055 1.186 -1.313) 2.712 5.689 ( 1.861 1.074 -0.837) 2.306 6.070 ( -2.877 -1.661 -2.751) 4.313 6.154 ( -4.270 -2.465 2.226) 5.410 6.244 ( -2.603 -1.503 -0.806) 3.112 6.367 ( 5.680 3.280 1.188) 6.666 6.391 ( 2.598 1.500 0.388) 3.025 6.871 ( -9.992 -5.769 3.524) 12.064 7.322 ( -1.038 -0.599 0.028) 1.199 7.362 ( 0.669 0.386 -1.695) 1.863 7.753 ( -3.010 -1.738 0.840) 3.576 8.272 ( -1.395 -0.806 -0.231) 1.628 8.666 ( 0.179 0.104 -0.150) 0.256 8.748 ( 5.697 3.289 -1.061) 6.663 8.994 ( 0.624 0.360 -0.125) 0.731 9.524 ( 0.470 0.271 1.114) 1.239 9.527 ( 0.910 0.525 1.207) 1.600 10.050 ( -2.941 -1.698 2.589) 4.271 10.635 ( -0.531 -0.307 0.819) 1.024 10.647 ( 0.679 0.392 0.976) 1.252 11.631 ( -3.895 -2.249 1.452) 4.726======================= Grid point 277 (78/85) =======================q-point: ( 0.56 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.557 ( 16.459 9.502 -1.504) 19.064 1.691 ( 17.723 10.232 12.869) 24.174 2.290 ( 10.407 6.009 0.672) 12.036 2.478 ( -0.969 -0.560 -2.814) 3.029 2.816 ( 7.382 4.262 -1.064) 8.590 3.196 ( -2.265 -1.308 2.684) 3.747 3.329 ( -0.134 -0.077 -3.691) 3.694 3.493 ( 2.032 1.173 -1.077) 2.581 4.022 ( -0.617 -0.356 -0.875) 1.128 4.171 ( -4.544 -2.623 6.997) 8.746 4.423 ( 1.345 0.777 -4.993) 5.229 4.641 ( -0.804 -0.464 -5.662) 5.738 4.884 ( 1.020 0.589 1.082) 1.600 4.998 ( 1.318 0.761 -2.789) 3.177 5.112 ( 0.022 0.013 -0.773) 0.773 5.135 ( 0.758 0.438 0.159) 0.889 5.411 ( -5.591 -3.228 0.978) 6.530 5.533 ( -1.653 -0.954 -0.613) 2.005 5.698 ( -0.826 -0.477 1.271) 1.589 5.720 ( 2.112 1.220 -0.541) 2.498 6.020 ( -0.489 -0.282 -1.669) 1.762 6.085 ( -3.134 -1.810 2.513) 4.406 6.180 ( -2.728 -1.575 -1.194) 3.368 6.434 ( 1.394 0.805 -0.516) 1.690 6.478 ( 3.398 1.962 -2.379) 4.589 6.695 ( -6.872 -3.968 6.019) 9.960 7.295 ( -1.384 -0.799 0.316) 1.629 7.320 ( -3.303 -1.907 -2.256) 4.431 7.690 ( -3.113 -1.797 0.922) 3.711 8.255 ( -0.012 -0.007 -0.557) 0.557 8.669 ( 0.182 0.105 -0.228) 0.310 8.845 ( 3.377 1.950 -0.664) 3.956 9.012 ( 0.985 0.568 -0.076) 1.139 9.540 ( 0.565 0.326 0.697) 0.955 9.561 ( 1.547 0.893 1.084) 2.089 9.994 ( -2.850 -1.645 1.477) 3.607 10.620 ( -1.047 -0.605 0.359) 1.262 10.669 ( 0.792 0.457 0.882) 1.271 11.547 ( -4.213 -2.432 1.221) 5.016======================= Grid point 278 (79/85) =======================q-point: ( 0.67 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.802 ( 7.532 4.349 -9.862) 13.150 2.002 ( 7.462 4.308 6.830) 10.995 2.513 ( 4.499 2.598 5.785) 7.776 2.516 ( 6.330 3.655 -9.202) 11.752 2.932 ( 5.833 3.368 -1.707) 6.949 3.185 ( -0.580 -0.335 4.579) 4.627 3.396 ( 7.203 4.158 6.295) 10.431 3.530 ( 1.834 1.059 -2.578) 3.337 3.964 ( -5.108 -2.949 5.151) 7.831 4.172 ( 1.670 0.964 2.927) 3.505 4.396 ( -0.298 -0.172 -7.718) 7.725 4.627 ( 1.629 0.940 -4.607) 4.976 4.918 ( 1.201 0.693 0.880) 1.642 4.981 ( -0.471 -0.272 -3.892) 3.930 5.093 ( -1.820 -1.051 -0.799) 2.248 5.163 ( 0.918 0.530 1.860) 2.140 5.311 ( -3.674 -2.121 3.045) 5.222 5.443 ( -6.243 -3.604 -0.249) 7.213 5.714 ( 2.205 1.273 0.398) 2.577 5.758 ( 1.449 0.837 -0.125) 1.678 6.008 ( -0.431 -0.249 -1.869) 1.934 6.047 ( -1.587 -0.916 2.162) 2.834 6.116 ( -2.517 -1.453 -1.084) 3.102 6.435 ( -4.251 -2.454 -1.357) 5.093 6.448 ( 0.431 0.249 -1.008) 1.125 6.703 ( 3.244 1.873 3.802) 5.337 7.208 ( -5.621 -3.245 -1.806) 6.737 7.269 ( -1.134 -0.655 0.499) 1.402 7.631 ( -2.395 -1.383 -0.183) 2.772 8.262 ( 0.739 0.426 -0.253) 0.890 8.671 ( 0.115 0.066 -0.287) 0.316 8.889 ( 1.110 0.641 -0.099) 1.286 9.033 ( 0.917 0.529 -0.005) 1.059 9.553 ( 0.289 0.167 0.388) 0.512 9.601 ( 1.405 0.811 1.180) 2.006 9.951 ( -1.603 -0.926 0.472) 1.911 10.596 ( -1.168 -0.674 -0.021) 1.349 10.688 ( 0.466 0.269 0.877) 1.029 11.471 ( -3.148 -1.817 0.623) 3.688======================= Grid point 285 (80/85) =======================q-point: ( 0.44 0.44 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.072 ( 0.000 10.787 11.803) 15.989 1.354 ( 0.000 29.495 4.028) 29.768 2.169 ( 0.000 -4.410 11.692) 12.496 2.548 ( -0.000 1.929 -8.103) 8.330 2.604 ( 0.000 7.847 -0.730) 7.881 3.267 ( -0.000 -0.784 -0.032) 0.784 3.317 ( -0.000 -0.215 -4.096) 4.101 3.463 ( -0.000 0.873 -0.449) 0.982 4.010 ( -0.000 0.588 -2.331) 2.404 4.288 ( 0.000 -1.835 4.538) 4.895 4.380 ( -0.000 2.532 -1.285) 2.840 4.682 ( -0.000 -8.070 -5.050) 9.520 4.903 ( -0.000 1.378 -1.145) 1.792 4.920 ( -0.000 2.392 -1.083) 2.625 5.093 ( -0.000 -0.190 -0.126) 0.228 5.135 ( -0.000 2.399 -1.049) 2.618 5.515 ( -0.000 -4.058 0.119) 4.060 5.555 ( 0.000 -2.173 0.453) 2.220 5.673 ( -0.000 2.655 -1.049) 2.854 5.697 ( -0.000 3.874 -0.795) 3.955 6.051 ( -0.000 -3.599 -1.984) 4.110 6.198 ( 0.000 -2.188 1.682) 2.760 6.219 ( -0.000 -4.057 -1.289) 4.257 6.353 ( 0.000 2.743 2.525) 3.728 6.389 ( 0.000 2.531 0.028) 2.531 6.904 ( 0.000 -8.573 1.974) 8.798 7.328 ( -0.000 -0.833 -0.307) 0.888 7.336 ( -0.000 -1.170 -0.546) 1.292 7.759 ( 0.000 -2.969 0.487) 3.008 8.271 ( -0.000 -1.800 -0.109) 1.803 8.663 ( 0.000 0.051 0.025) 0.057 8.747 ( -0.000 6.688 -0.959) 6.757 8.993 ( -0.000 0.734 -0.098) 0.741 9.528 ( 0.000 0.471 0.894) 1.011 9.535 ( 0.000 1.261 0.783) 1.484 10.062 ( 0.000 -3.463 1.937) 3.968 10.635 ( 0.000 -0.842 0.806) 1.166 10.656 ( 0.000 1.032 0.539) 1.164 11.639 ( 0.000 -4.241 1.004) 4.359======================= Grid point 286 (81/85) =======================q-point: ( 0.56 0.44 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.399 ( 14.924 13.114 6.836) 21.010 1.711 ( 7.170 26.356 1.973) 27.385 2.180 ( 2.647 -3.815 2.313) 5.188 2.525 ( -0.307 4.941 -4.279) 6.543 2.743 ( 5.444 5.934 1.839) 8.260 3.244 ( -2.742 0.022 1.134) 2.967 3.299 ( 1.028 0.042 -3.524) 3.672 3.482 ( 1.198 1.968 -0.364) 2.333 4.013 ( 0.608 1.038 -1.388) 1.837 4.265 ( -4.224 -2.594 6.940) 8.528 4.384 ( 0.776 -0.047 -5.250) 5.308 4.592 ( 0.184 -4.111 -3.043) 5.118 4.905 ( -0.436 1.946 0.838) 2.163 4.957 ( 2.237 0.570 -1.709) 2.872 5.077 ( -1.064 -1.874 -0.297) 2.175 5.166 ( 1.142 3.236 -0.556) 3.476 5.445 ( -3.174 -5.019 0.207) 5.942 5.541 ( -0.110 -0.583 -0.208) 0.629 5.694 ( 0.313 1.270 -0.090) 1.311 5.733 ( 0.451 2.229 -0.291) 2.293 5.998 ( -0.978 -3.182 -0.531) 3.372 6.142 ( -2.875 -1.753 1.061) 3.530 6.185 ( -0.835 -3.063 -0.466) 3.208 6.381 ( 0.982 -0.536 -0.447) 1.205 6.461 ( 3.619 3.815 0.774) 5.315 6.781 ( -5.725 -6.376 1.917) 8.781 7.289 ( -1.503 -3.313 -0.342) 3.654 7.332 ( -0.084 -1.120 -0.481) 1.222 7.713 ( -1.955 -3.251 0.574) 3.837 8.254 ( -0.251 -0.395 -0.311) 0.562 8.667 ( 0.286 0.239 -0.035) 0.374 8.821 ( 2.175 4.208 -0.603) 4.775 9.006 ( 0.542 0.959 -0.058) 1.103 9.542 ( 0.477 0.696 0.473) 0.967 9.557 ( 0.652 1.556 0.498) 1.759 10.019 ( -1.869 -3.273 1.037) 3.909 10.627 ( -0.413 -1.041 0.392) 1.187 10.670 ( 0.300 0.974 0.361) 1.082 11.578 ( -2.521 -4.280 0.722) 5.019======================= Grid point 287 (82/85) =======================q-point: ( 0.67 0.44 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.734 ( 7.025 14.082 -5.566) 16.693 2.009 ( 4.084 8.269 6.641) 11.365 2.269 ( 11.868 0.961 -2.952) 12.267 2.614 ( 1.786 11.186 -0.427) 11.336 2.861 ( 4.437 2.418 -1.356) 5.232 3.186 ( -1.319 -4.797 2.716) 5.668 3.360 ( 4.514 4.927 0.750) 6.724 3.536 ( 1.596 4.710 0.087) 4.973 4.019 ( -1.087 -0.077 0.982) 1.467 4.197 ( -3.159 -4.297 5.390) 7.582 4.355 ( 0.098 -0.394 -5.278) 5.293 4.581 ( 1.596 0.633 -2.923) 3.389 4.919 ( -0.260 0.186 1.016) 1.065 4.974 ( -0.143 1.369 -2.492) 2.847 5.041 ( 1.036 -4.370 0.445) 4.513 5.213 ( 0.058 3.924 0.435) 3.948 5.339 ( -3.184 -5.259 0.991) 6.227 5.520 ( -3.509 -0.215 0.177) 3.520 5.696 ( 0.001 -0.287 0.698) 0.755 5.752 ( 0.928 0.647 -0.201) 1.149 5.968 ( 0.471 -2.102 -0.789) 2.294 6.097 ( -1.935 -0.603 1.113) 2.312 6.136 ( -2.105 -1.333 -0.507) 2.543 6.377 ( 1.068 -2.823 -1.085) 3.207 6.526 ( -1.882 4.335 -1.940) 5.109 6.682 ( 0.109 -3.934 3.261) 5.111 7.211 ( -2.603 -5.327 -0.901) 5.997 7.309 ( -1.832 0.235 -0.015) 1.847 7.650 ( -2.260 -2.863 0.022) 3.648 8.256 ( 0.451 0.537 -0.083) 0.706 8.674 ( 0.022 0.623 -0.149) 0.641 8.874 ( 1.391 1.081 0.023) 1.762 9.026 ( 0.757 0.942 0.003) 1.209 9.556 ( 0.169 0.762 0.098) 0.787 9.591 ( 1.424 1.277 0.514) 1.981 9.966 ( -1.639 -1.968 0.205) 2.569 10.607 ( -0.940 -0.850 -0.055) 1.269 10.686 ( 0.518 0.445 0.394) 0.789 11.499 ( -2.779 -3.223 0.260) 4.263======================= Grid point 295 (83/85) =======================q-point: ( 0.56 0.56 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.454 ( 0.000 15.111 10.187) 18.224 1.896 ( -0.000 23.584 -10.578) 25.848 2.185 ( 0.000 3.102 10.595) 11.040 2.511 ( -0.000 2.525 -6.302) 6.789 2.790 ( 0.000 6.833 3.739) 7.789 3.252 ( -0.000 -1.525 -3.846) 4.137 3.305 ( 0.000 4.501 -0.189) 4.505 3.483 ( 0.000 1.576 -0.037) 1.577 4.014 ( -0.000 1.200 -0.535) 1.314 4.311 ( -0.000 -4.848 -8.780) 10.030 4.327 ( 0.000 -0.650 6.389) 6.422 4.562 ( 0.000 -1.506 3.012) 3.368 4.909 ( -0.000 1.065 -1.612) 1.933 4.953 ( 0.000 0.409 2.060) 2.100 5.099 ( 0.000 0.214 0.551) 0.592 5.157 ( -0.000 1.660 -1.884) 2.511 5.424 ( -0.000 -5.320 -0.477) 5.342 5.528 ( -0.000 -1.629 0.046) 1.629 5.717 ( 0.000 2.584 -0.266) 2.598 5.722 ( -0.000 -0.647 -1.480) 1.616 5.994 ( 0.000 -1.231 1.299) 1.790 6.124 ( -0.000 -3.705 -2.015) 4.218 6.164 ( 0.000 -3.022 0.898) 3.152 6.416 ( 0.000 1.567 1.527) 2.188 6.437 ( 0.000 1.252 2.337) 2.651 6.767 ( -0.000 -5.449 -2.314) 5.920 7.286 ( 0.000 -4.168 1.526) 4.438 7.302 ( -0.000 -1.464 -0.422) 1.524 7.697 ( -0.000 -3.861 0.136) 3.864 8.252 ( -0.000 -0.025 -0.170) 0.172 8.666 ( 0.000 0.142 0.171) 0.222 8.844 ( -0.000 4.030 -0.495) 4.060 9.011 ( 0.000 1.160 -0.040) 1.161 9.545 ( 0.000 0.635 0.187) 0.662 9.572 ( 0.000 2.072 -0.167) 2.079 10.004 ( -0.000 -3.544 0.345) 3.560 10.620 ( 0.000 -1.329 0.348) 1.374 10.678 ( -0.000 1.075 -0.228) 1.099 11.556 ( -0.000 -4.882 0.157) 4.884======================= Grid point 367 (84/85) =======================q-point: ( 0.44 0.44 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 85Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.033 ( 0.000 -0.000 5.360) 5.360 1.033 ( 0.000 -0.000 5.360) 5.360 2.303 ( 0.000 -0.000 11.474) 11.474 2.490 ( -0.000 0.000 -4.416) 4.416 2.490 ( -0.000 0.000 -4.416) 4.416 3.289 ( -0.000 0.000 -1.357) 1.357 3.289 ( -0.000 0.000 -1.357) 1.357 3.455 ( -0.000 0.000 -0.211) 0.211 3.995 ( -0.000 0.000 -1.352) 1.352 4.336 ( 0.000 -0.000 1.069) 1.069 4.336 ( 0.000 -0.000 1.069) 1.069 4.757 ( -0.000 0.000 -4.925) 4.925 4.877 ( -0.000 0.000 -0.309) 0.309 4.877 ( -0.000 0.000 -0.309) 0.309 5.100 ( -0.000 0.000 -0.272) 0.272 5.100 ( -0.000 0.000 -0.272) 0.272 5.563 ( 0.000 -0.000 0.191) 0.191 5.601 ( 0.000 -0.000 0.921) 0.921 5.633 ( -0.000 0.000 -0.843) 0.843 5.633 ( -0.000 0.000 -0.843) 0.843 6.072 ( -0.000 0.000 -2.042) 2.042 6.247 ( 0.000 0.000 0.149) 0.149 6.247 ( 0.000 -0.000 0.149) 0.149 6.342 ( 0.000 -0.000 0.944) 0.944 6.342 ( 0.000 -0.000 0.944) 0.944 7.016 ( 0.000 -0.000 0.448) 0.448 7.334 ( -0.000 0.000 -0.080) 0.080 7.334 ( -0.000 0.000 -0.080) 0.080 7.788 ( -0.000 0.000 -0.202) 0.202 8.302 ( 0.000 -0.000 0.115) 0.115 8.663 ( -0.000 0.000 -0.036) 0.036 8.663 ( -0.000 0.000 -0.036) 0.036 8.986 ( -0.000 0.000 -0.060) 0.060 9.527 ( 0.000 -0.000 0.555) 0.555 9.527 ( 0.000 -0.000 0.555) 0.555 10.108 ( 0.000 -0.000 1.170) 1.170 10.647 ( 0.000 -0.000 0.464) 0.464 10.647 ( 0.000 -0.000 0.464) 0.464 11.686 ( 0.000 -0.000 0.351) 0.351======================= Grid point 368 (85/85) =======================q-point: ( 0.56 0.44 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.204 ( 11.979 6.916 -3.478) 14.263 1.332 ( 22.461 12.968 6.646) 26.773 2.254 ( -4.395 -2.537 -0.026) 5.075 2.472 ( 0.103 0.060 0.445) 0.460 2.621 ( 9.272 5.353 -0.587) 10.723 3.264 ( -1.404 -0.810 2.074) 2.632 3.287 ( 0.042 0.024 -2.670) 2.671 3.461 ( 0.665 0.384 -0.098) 0.774 3.995 ( 0.523 0.302 -0.497) 0.782 4.330 ( -1.173 -0.677 4.561) 4.758 4.354 ( 0.638 0.368 -3.198) 3.282 4.654 ( -5.213 -3.010 -2.287) 6.440 4.882 ( 0.622 0.359 1.228) 1.423 4.925 ( 2.746 1.585 -1.476) 3.497 5.100 ( 0.050 0.029 -0.781) 0.783 5.119 ( 1.434 0.828 0.703) 1.799 5.515 ( -3.595 -2.076 0.063) 4.152 5.560 ( -1.892 -1.092 -0.187) 2.192 5.665 ( 2.338 1.350 -0.154) 2.704 5.689 ( 2.798 1.615 0.377) 3.253 6.039 ( -2.091 -1.207 -0.660) 2.504 6.190 ( -3.684 -2.127 2.066) 4.729 6.225 ( -2.222 -1.283 -1.486) 2.964 6.384 ( 3.324 1.919 0.707) 3.903 6.385 ( 2.178 1.257 -1.179) 2.777 6.911 ( -7.960 -4.596 1.114) 9.259 7.324 ( -0.863 -0.498 0.223) 1.021 7.339 ( -0.463 -0.267 -0.893) 1.041 7.761 ( -2.320 -1.339 0.142) 2.682 8.270 ( -1.751 -1.011 -0.021) 2.022 8.664 ( 0.111 0.064 -0.113) 0.171 8.740 ( 5.415 3.127 0.007) 6.253 8.993 ( 0.630 0.364 -0.017) 0.728 9.534 ( 0.400 0.231 0.135) 0.481 9.540 ( 0.965 0.557 0.261) 1.145 10.075 ( -3.016 -1.741 0.393) 3.505 10.642 ( -0.672 -0.388 0.014) 0.776 10.658 ( 0.733 0.423 0.297) 0.897 11.645 ( -3.544 -2.046 0.219) 4.099=================== 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 3/28431 10.0 782.068 782.068 677.580 -0.000 -0.000 -0.000 3/28431 20.0 364.155 364.155 164.678 0.000 -0.000 -0.000 3/28431 30.0 130.308 130.308 56.287 0.000 -0.000 -0.000 3/28431 40.0 58.900 58.900 25.550 0.000 -0.000 -0.000 3/28431 50.0 32.931 32.931 14.419 0.000 -0.000 -0.000 3/28431 60.0 21.370 21.370 9.451 0.000 -0.000 -0.000 3/28431 70.0 15.336 15.336 6.846 0.000 -0.000 -0.000 3/28431 80.0 11.793 11.793 5.307 0.000 -0.000 -0.000 3/28431 90.0 9.521 9.521 4.314 0.000 -0.000 -0.000 3/28431 100.0 7.963 7.963 3.629 0.000 -0.000 -0.000 3/28431 110.0 6.839 6.839 3.131 0.000 -0.000 -0.000 3/28431 120.0 5.994 5.994 2.754 0.000 -0.000 -0.000 3/28431 130.0 5.337 5.337 2.461 0.000 -0.000 -0.000 3/28431 140.0 4.813 4.813 2.225 0.000 -0.000 -0.000 3/28431 150.0 4.385 4.385 2.032 0.000 -0.000 -0.000 3/28431 160.0 4.030 4.030 1.871 0.000 -0.000 -0.000 3/28431 170.0 3.730 3.730 1.734 0.000 -0.000 -0.000 3/28431 180.0 3.473 3.473 1.617 0.000 -0.000 -0.000 3/28431 190.0 3.250 3.250 1.515 0.000 -0.000 -0.000 3/28431 200.0 3.056 3.056 1.426 0.000 -0.000 -0.000 3/28431 210.0 2.884 2.884 1.347 0.000 -0.000 -0.000 3/28431 220.0 2.732 2.732 1.277 0.000 -0.000 -0.000 3/28431 230.0 2.595 2.595 1.214 0.000 -0.000 -0.000 3/28431 240.0 2.472 2.472 1.157 0.000 -0.000 -0.000 3/28431 250.0 2.360 2.360 1.106 0.000 -0.000 -0.000 3/28431 260.0 2.259 2.259 1.059 0.000 -0.000 -0.000 3/28431 270.0 2.166 2.166 1.016 0.000 -0.000 -0.000 3/28431 280.0 2.081 2.081 0.976 0.000 -0.000 -0.000 3/28431 290.0 2.002 2.002 0.939 0.000 -0.000 -0.000 3/28431 300.0 1.929 1.929 0.906 0.000 -0.000 -0.000 3/28431 310.0 1.862 1.862 0.874 0.000 -0.000 -0.000 3/28431 320.0 1.799 1.799 0.845 0.000 -0.000 -0.000 3/28431 330.0 1.741 1.741 0.818 0.000 -0.000 -0.000 3/28431 340.0 1.686 1.686 0.792 0.000 -0.000 -0.000 3/28431 350.0 1.635 1.635 0.768 0.000 -0.000 -0.000 3/28431 360.0 1.586 1.586 0.746 0.000 -0.000 -0.000 3/28431 370.0 1.541 1.541 0.725 0.000 -0.000 -0.000 3/28431 380.0 1.498 1.498 0.705 0.000 -0.000 -0.000 3/28431 390.0 1.458 1.458 0.686 0.000 -0.000 -0.000 3/28431 400.0 1.420 1.420 0.668 0.000 -0.000 -0.000 3/28431 410.0 1.383 1.383 0.651 0.000 -0.000 -0.000 3/28431 420.0 1.349 1.349 0.635 0.000 -0.000 -0.000 3/28431 430.0 1.316 1.316 0.620 0.000 -0.000 -0.000 3/28431 440.0 1.285 1.285 0.605 0.000 -0.000 -0.000 3/28431 450.0 1.256 1.256 0.591 0.000 -0.000 -0.000 3/28431 460.0 1.227 1.227 0.578 0.000 -0.000 -0.000 3/28431 470.0 1.200 1.200 0.565 0.000 -0.000 -0.000 3/28431 480.0 1.174 1.174 0.553 0.000 -0.000 -0.000 3/28431 490.0 1.150 1.150 0.541 0.000 -0.000 -0.000 3/28431 500.0 1.126 1.126 0.530 0.000 -0.000 -0.000 3/28431 510.0 1.103 1.103 0.520 0.000 -0.000 -0.000 3/28431 520.0 1.081 1.081 0.509 0.000 -0.000 -0.000 3/28431 530.0 1.060 1.060 0.500 0.000 -0.000 -0.000 3/28431 540.0 1.040 1.040 0.490 0.000 -0.000 -0.000 3/28431 550.0 1.021 1.021 0.481 0.000 -0.000 -0.000 3/28431 560.0 1.002 1.002 0.472 0.000 -0.000 -0.000 3/28431 570.0 0.984 0.984 0.464 0.000 -0.000 -0.000 3/28431 580.0 0.967 0.967 0.456 0.000 -0.000 -0.000 3/28431 590.0 0.950 0.950 0.448 0.000 -0.000 -0.000 3/28431 600.0 0.934 0.934 0.440 0.000 -0.000 -0.000 3/28431 610.0 0.918 0.918 0.433 0.000 -0.000 -0.000 3/28431 620.0 0.903 0.903 0.426 0.000 -0.000 -0.000 3/28431 630.0 0.889 0.889 0.419 0.000 -0.000 -0.000 3/28431 640.0 0.875 0.875 0.412 0.000 -0.000 -0.000 3/28431 650.0 0.861 0.861 0.406 0.000 -0.000 -0.000 3/28431 660.0 0.848 0.848 0.400 0.000 -0.000 -0.000 3/28431 670.0 0.835 0.835 0.393 0.000 -0.000 -0.000 3/28431 680.0 0.822 0.822 0.388 0.000 -0.000 -0.000 3/28431 690.0 0.810 0.810 0.382 0.000 -0.000 -0.000 3/28431 700.0 0.798 0.798 0.376 0.000 -0.000 -0.000 3/28431 710.0 0.787 0.787 0.371 0.000 -0.000 -0.000 3/28431 720.0 0.776 0.776 0.366 0.000 -0.000 -0.000 3/28431 730.0 0.765 0.765 0.361 0.000 -0.000 -0.000 3/28431 740.0 0.755 0.755 0.356 0.000 -0.000 -0.000 3/28431 750.0 0.745 0.745 0.351 0.000 -0.000 -0.000 3/28431 760.0 0.735 0.735 0.346 0.000 -0.000 -0.000 3/28431 770.0 0.725 0.725 0.342 0.000 -0.000 -0.000 3/28431 780.0 0.716 0.716 0.337 0.000 -0.000 -0.000 3/28431 790.0 0.706 0.706 0.333 0.000 -0.000 -0.000 3/28431 800.0 0.697 0.697 0.329 0.000 -0.000 -0.000 3/28431 810.0 0.689 0.689 0.325 0.000 -0.000 -0.000 3/28431 820.0 0.680 0.680 0.321 0.000 -0.000 -0.000 3/28431 830.0 0.672 0.672 0.317 0.000 -0.000 -0.000 3/28431 840.0 0.664 0.664 0.313 0.000 -0.000 -0.000 3/28431 850.0 0.656 0.656 0.309 0.000 -0.000 -0.000 3/28431 860.0 0.648 0.648 0.306 0.000 -0.000 -0.000 3/28431 870.0 0.641 0.641 0.302 0.000 -0.000 -0.000 3/28431 880.0 0.633 0.633 0.299 0.000 -0.000 -0.000 3/28431 890.0 0.626 0.626 0.295 0.000 -0.000 -0.000 3/28431 900.0 0.619 0.619 0.292 0.000 -0.000 -0.000 3/28431 910.0 0.612 0.612 0.289 0.000 -0.000 -0.000 3/28431 920.0 0.606 0.606 0.286 0.000 -0.000 -0.000 3/28431 930.0 0.599 0.599 0.283 0.000 -0.000 -0.000 3/28431 940.0 0.593 0.593 0.280 0.000 -0.000 -0.000 3/28431 950.0 0.586 0.586 0.277 0.000 -0.000 -0.000 3/28431 960.0 0.580 0.580 0.274 0.000 -0.000 -0.000 3/28431 970.0 0.574 0.574 0.271 0.000 -0.000 -0.000 3/28431 980.0 0.568 0.568 0.268 0.000 -0.000 -0.000 3/28431 990.0 0.563 0.563 0.265 0.000 -0.000 -0.000 3/28431 1000.0 0.557 0.557 0.263 0.000 -0.000 -0.000 3/28431Thermal conductivity related properties were written into "kappa-m999.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 18:47:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|