# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/23e62aff-1c2c-4d5c-8343-f2fd4b873da7/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 CsGaS3 / P2_1/c (14) / materials id 562726](https://mdr.nims.go.jp/datasets/8141496a-1f65-4b16-aeb1-bc581bfe32e0) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 17:32:19]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/c (14)Number of symmetry operations in supercell: 16------------------------------ primitive cell ------------------------------Lattice vectors: a 7.540453782074633 0.000000000000000 0.000000000000000 b 0.000000000000000 12.351890130000003 0.000000000000000 c -2.013461586827962 0.000000000000000 6.088139163629045Atomic positions (fractional): *1 Cs 0.25226073028744 0.91582783729141 0.28064131207507 132.905 2 Cs 0.25226073028744 0.58417216270859 0.78064131207507 132.905 3 Cs 0.74773926971256 0.41582783729141 0.21935868792493 132.905 4 Cs 0.74773926971256 0.08417216270859 0.71935868792493 132.905 *5 Ga 0.80760782242773 0.77210651722909 0.35102641354539 69.723 6 Ga 0.19239217757227 0.27210651722909 0.14897358645461 69.723 7 Ga 0.80760782242773 0.72789348277091 0.85102641354539 69.723 8 Ga 0.19239217757227 0.22789348277091 0.64897358645461 69.723 *9 S 0.01812844557744 0.32692059640575 0.81177604334164 32.065 10 S 0.01812844557744 0.17307940359425 0.31177604334164 32.065 *11 S 0.55117245873525 0.67269432087176 0.35671194702318 32.065 *12 S 0.68835867816031 0.58143121097793 0.63460049076180 32.065 13 S 0.31164132183969 0.41856878902207 0.36539950923820 32.065 14 S 0.68835867816031 0.91856878902207 0.13460049076180 32.065 15 S 0.55117245873525 0.82730567912824 0.85671194702318 32.065 16 S 0.44882754126475 0.17269432087176 0.14328805297682 32.065 17 S 0.98187155442256 0.82692059640575 0.68822395665836 32.065 18 S 0.98187155442256 0.67307940359425 0.18822395665836 32.065 19 S 0.44882754126475 0.32730567912824 0.64328805297682 32.065 20 S 0.31164132183969 0.08143121097793 0.86539950923820 32.065-------------------------------- unit cell ---------------------------------Lattice vectors: a 7.540453782074633 0.000000000000000 0.000000000000000 b 0.000000000000000 12.351890130000003 0.000000000000000 c -2.013461586827962 0.000000000000000 6.088139163629045Atomic positions (fractional): *1 Cs 0.25226073028744 0.91582783729141 0.28064131207507 132.905 > 1 2 Cs 0.25226073028744 0.58417216270859 0.78064131207507 132.905 > 2 3 Cs 0.74773926971256 0.41582783729141 0.21935868792493 132.905 > 3 4 Cs 0.74773926971256 0.08417216270859 0.71935868792493 132.905 > 4 *5 Ga 0.80760782242773 0.77210651722909 0.35102641354539 69.723 > 5 6 Ga 0.19239217757227 0.27210651722909 0.14897358645461 69.723 > 6 7 Ga 0.80760782242773 0.72789348277091 0.85102641354539 69.723 > 7 8 Ga 0.19239217757227 0.22789348277091 0.64897358645461 69.723 > 8 *9 S 0.01812844557744 0.32692059640575 0.81177604334164 32.065 > 9 10 S 0.01812844557744 0.17307940359425 0.31177604334164 32.065 > 10 *11 S 0.55117245873525 0.67269432087176 0.35671194702318 32.065 > 11 *12 S 0.68835867816031 0.58143121097793 0.63460049076180 32.065 > 12 13 S 0.31164132183969 0.41856878902207 0.36539950923820 32.065 > 13 14 S 0.68835867816031 0.91856878902207 0.13460049076180 32.065 > 14 15 S 0.55117245873525 0.82730567912824 0.85671194702318 32.065 > 15 16 S 0.44882754126475 0.17269432087176 0.14328805297682 32.065 > 16 17 S 0.98187155442256 0.82692059640575 0.68822395665836 32.065 > 17 18 S 0.98187155442256 0.67307940359425 0.18822395665836 32.065 > 18 19 S 0.44882754126475 0.32730567912824 0.64328805297682 32.065 > 19 20 S 0.31164132183969 0.08143121097793 0.86539950923820 32.065 > 20-------------------------------- super cell --------------------------------Lattice vectors: a 15.080907564149266 0.000000000000000 0.000000000000000 b 0.000000000000000 12.351890130000003 0.000000000000000 c -4.026923173655924 0.000000000000000 12.176278327258091Atomic positions (fractional): *1 Cs 0.12613036514372 0.91582783729141 0.14032065603753 132.905 > 1 2 Cs 0.62613036514372 0.91582783729141 0.14032065603753 132.905 > 1 3 Cs 0.12613036514372 0.91582783729141 0.64032065603753 132.905 > 1 4 Cs 0.62613036514372 0.91582783729141 0.64032065603753 132.905 > 1 5 Cs 0.12613036514372 0.58417216270859 0.39032065603753 132.905 > 2 6 Cs 0.62613036514372 0.58417216270859 0.39032065603753 132.905 > 2 7 Cs 0.12613036514372 0.58417216270859 0.89032065603753 132.905 > 2 8 Cs 0.62613036514372 0.58417216270859 0.89032065603753 132.905 > 2 9 Cs 0.37386963485628 0.41582783729141 0.10967934396247 132.905 > 3 10 Cs 0.87386963485628 0.41582783729141 0.10967934396247 132.905 > 3 11 Cs 0.37386963485628 0.41582783729141 0.60967934396247 132.905 > 3 12 Cs 0.87386963485628 0.41582783729141 0.60967934396247 132.905 > 3 13 Cs 0.37386963485628 0.08417216270859 0.35967934396247 132.905 > 4 14 Cs 0.87386963485628 0.08417216270859 0.35967934396247 132.905 > 4 15 Cs 0.37386963485628 0.08417216270859 0.85967934396247 132.905 > 4 16 Cs 0.87386963485628 0.08417216270859 0.85967934396247 132.905 > 4 *17 Ga 0.40380391121386 0.77210651722909 0.17551320677269 69.723 > 5 18 Ga 0.90380391121386 0.77210651722909 0.17551320677269 69.723 > 5 19 Ga 0.40380391121386 0.77210651722909 0.67551320677269 69.723 > 5 20 Ga 0.90380391121386 0.77210651722909 0.67551320677269 69.723 > 5 21 Ga 0.09619608878614 0.27210651722909 0.07448679322731 69.723 > 6 22 Ga 0.59619608878614 0.27210651722909 0.07448679322731 69.723 > 6 23 Ga 0.09619608878614 0.27210651722909 0.57448679322731 69.723 > 6 24 Ga 0.59619608878614 0.27210651722909 0.57448679322731 69.723 > 6 25 Ga 0.40380391121386 0.72789348277091 0.42551320677269 69.723 > 7 26 Ga 0.90380391121386 0.72789348277091 0.42551320677269 69.723 > 7 27 Ga 0.40380391121386 0.72789348277091 0.92551320677269 69.723 > 7 28 Ga 0.90380391121386 0.72789348277091 0.92551320677269 69.723 > 7 29 Ga 0.09619608878614 0.22789348277091 0.32448679322731 69.723 > 8 30 Ga 0.59619608878614 0.22789348277091 0.32448679322731 69.723 > 8 31 Ga 0.09619608878614 0.22789348277091 0.82448679322731 69.723 > 8 32 Ga 0.59619608878614 0.22789348277091 0.82448679322731 69.723 > 8 *33 S 0.00906422278872 0.32692059640575 0.40588802167082 32.065 > 9 34 S 0.50906422278872 0.32692059640575 0.40588802167082 32.065 > 9 35 S 0.00906422278872 0.32692059640575 0.90588802167082 32.065 > 9 36 S 0.50906422278872 0.32692059640575 0.90588802167082 32.065 > 9 37 S 0.00906422278872 0.17307940359425 0.15588802167082 32.065 > 10 38 S 0.50906422278872 0.17307940359425 0.15588802167082 32.065 > 10 39 S 0.00906422278872 0.17307940359425 0.65588802167082 32.065 > 10 40 S 0.50906422278872 0.17307940359425 0.65588802167082 32.065 > 10 *41 S 0.27558622936763 0.67269432087176 0.17835597351159 32.065 > 11 42 S 0.77558622936763 0.67269432087176 0.17835597351159 32.065 > 11 43 S 0.27558622936763 0.67269432087176 0.67835597351159 32.065 > 11 44 S 0.77558622936763 0.67269432087176 0.67835597351159 32.065 > 11 *45 S 0.34417933908016 0.58143121097793 0.31730024538090 32.065 > 12 46 S 0.84417933908016 0.58143121097793 0.31730024538090 32.065 > 12 47 S 0.34417933908016 0.58143121097793 0.81730024538090 32.065 > 12 48 S 0.84417933908016 0.58143121097793 0.81730024538090 32.065 > 12 49 S 0.15582066091985 0.41856878902207 0.18269975461910 32.065 > 13 50 S 0.65582066091985 0.41856878902207 0.18269975461910 32.065 > 13 51 S 0.15582066091985 0.41856878902207 0.68269975461910 32.065 > 13 52 S 0.65582066091985 0.41856878902207 0.68269975461910 32.065 > 13 53 S 0.34417933908016 0.91856878902207 0.06730024538090 32.065 > 14 54 S 0.84417933908016 0.91856878902207 0.06730024538090 32.065 > 14 55 S 0.34417933908016 0.91856878902207 0.56730024538090 32.065 > 14 56 S 0.84417933908016 0.91856878902207 0.56730024538090 32.065 > 14 57 S 0.27558622936763 0.82730567912824 0.42835597351159 32.065 > 15 58 S 0.77558622936763 0.82730567912824 0.42835597351159 32.065 > 15 59 S 0.27558622936763 0.82730567912824 0.92835597351159 32.065 > 15 60 S 0.77558622936763 0.82730567912824 0.92835597351159 32.065 > 15 61 S 0.22441377063237 0.17269432087176 0.07164402648841 32.065 > 16 62 S 0.72441377063237 0.17269432087176 0.07164402648841 32.065 > 16 63 S 0.22441377063237 0.17269432087176 0.57164402648841 32.065 > 16 64 S 0.72441377063237 0.17269432087176 0.57164402648841 32.065 > 16 65 S 0.49093577721128 0.82692059640575 0.34411197832918 32.065 > 17 66 S 0.99093577721128 0.82692059640575 0.34411197832918 32.065 > 17 67 S 0.49093577721128 0.82692059640575 0.84411197832918 32.065 > 17 68 S 0.99093577721128 0.82692059640575 0.84411197832918 32.065 > 17 69 S 0.49093577721128 0.67307940359425 0.09411197832918 32.065 > 18 70 S 0.99093577721128 0.67307940359425 0.09411197832918 32.065 > 18 71 S 0.49093577721128 0.67307940359425 0.59411197832918 32.065 > 18 72 S 0.99093577721128 0.67307940359425 0.59411197832918 32.065 > 18 73 S 0.22441377063237 0.32730567912824 0.32164402648841 32.065 > 19 74 S 0.72441377063237 0.32730567912824 0.32164402648841 32.065 > 19 75 S 0.22441377063237 0.32730567912824 0.82164402648841 32.065 > 19 76 S 0.72441377063237 0.32730567912824 0.82164402648841 32.065 > 19 77 S 0.15582066091985 0.08143121097793 0.43269975461910 32.065 > 20 78 S 0.65582066091985 0.08143121097793 0.43269975461910 32.065 > 20 79 S 0.15582066091985 0.08143121097793 0.93269975461910 32.065 > 20 80 S 0.65582066091985 0.08143121097793 0.93269975461910 32.065 > 20----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 3.8589238 0.0000000 -0.1825961 0.0000000 4.0684991 0.0000000 -0.1825994 0.0000000 4.7261145-------------------------- Born effective charges -------------------------- 1 Cs 1.4435021 0.0826590 -0.0271689 0.0681714 1.5086213 -0.0720153 -0.0235378 -0.0641639 1.3623038 2 Cs 1.4435021 -0.0826590 -0.0271689 -0.0681714 1.5086213 0.0720153 -0.0235378 0.0641639 1.3623038 3 Cs 1.4435021 -0.0826590 -0.0271689 -0.0681714 1.5086213 0.0720153 -0.0235378 0.0641639 1.3623038 4 Cs 1.4435021 0.0826590 -0.0271689 0.0681714 1.5086213 -0.0720153 -0.0235378 -0.0641639 1.3623038 5 Ga 1.7791290 -0.1158371 -0.3350472 0.1092838 1.6393387 -0.0561054 -0.7545962 -0.1121398 2.9048992 6 Ga 1.7791290 0.1158371 -0.3350472 -0.1092838 1.6393387 0.0561054 -0.7545962 0.1121398 2.9048992 7 Ga 1.7791290 0.1158371 -0.3350472 -0.1092838 1.6393387 0.0561054 -0.7545962 0.1121398 2.9048992 8 Ga 1.7791290 -0.1158371 -0.3350472 0.1092838 1.6393387 -0.0561054 -0.7545962 -0.1121398 2.9048992 9 S -1.4437197 0.3219541 0.3241398 0.1989624 -1.2920171 0.0228187 0.3999295 0.0014708 -2.4090027 10 S -1.4437197 -0.3219541 0.3241398 -0.1989624 -1.2920171 -0.0228187 0.3999295 -0.0014708 -2.4090027 11 S -1.0679754 -0.1344506 -0.0914055 -0.2211529 -0.8523670 -0.1853243 0.2880724 -0.0055750 -0.8262246 12 S -0.7109360 -0.0806760 0.1294818 -0.0977090 -1.0035759 -0.3033499 0.0901321 -0.4078841 -1.0319758 13 S -0.7109360 -0.0806760 0.1294818 -0.0977090 -1.0035759 -0.3033499 0.0901321 -0.4078841 -1.0319758 14 S -0.7109360 0.0806760 0.1294818 0.0977090 -1.0035759 0.3033499 0.0901321 0.4078841 -1.0319758 15 S -1.0679754 0.1344506 -0.0914055 0.2211529 -0.8523670 0.1853243 0.2880724 0.0055750 -0.8262246 16 S -1.0679754 0.1344506 -0.0914055 0.2211529 -0.8523670 0.1853243 0.2880724 0.0055750 -0.8262246 17 S -1.4437197 -0.3219541 0.3241398 -0.1989624 -1.2920171 -0.0228187 0.3999295 -0.0014708 -2.4090027 18 S -1.4437197 0.3219541 0.3241398 0.1989624 -1.2920171 0.0228187 0.3999295 0.0014708 -2.4090027 19 S -1.0679754 -0.1344506 -0.0914055 -0.2211529 -0.8523670 -0.1853243 0.2880724 -0.0055750 -0.8262246 20 S -0.7109360 0.0806760 0.1294818 0.0977090 -1.0035759 0.3033499 0.0901321 0.4078841 -1.0319758----------------------------------------------------------------------------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: 240/240Permutation basis: 7440/7440Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1890Number of blocks in projector: 1890Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 400Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 400Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 400Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 230Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 230Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 230Use standard eigh solver.Tree of FC basis block matrices:- (1890, 1846), data: False|-- (230, 225), data: True|-- (230, 225), data: True|-- (230, 225), data: True|-- (400, 391), data: True|-- (400, 390), data: True|-- (400, 390), data: True-----Solver_atoms: 1 -- 80 / 80Time (Solver_compr_matrix_reshape): 0.002Solver_block: 100 / 640 - Time: 2.185Solver_block: 200 / 640 - Time: 2.201Solver_block: 300 / 640 - Time: 2.204Solver_block: 400 / 640 - Time: 2.194Solver_block: 500 / 640 - Time: 2.194Solver_block: 600 / 640 - Time: 2.195Solver_block: 640 / 640 - Time: 0.943Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.164--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 240/240Permutation basis: 7440/7440Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1890Number of blocks in projector: 1890Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 400Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 400Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 400Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 230Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 230Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 230Use standard eigh solver.Tree of FC basis block matrices:- (1890, 1846), data: False|-- (230, 225), data: True|-- (230, 225), data: True|-- (230, 225), data: True|-- (400, 391), data: True|-- (400, 390), data: True|-- (400, 390), data: TrueMax drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 17:32:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 17:32:53]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [2 1 2]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/c (14)------------------------------ primitive cell ------------------------------Lattice vectors: a 7.540453782074633 0.000000000000000 0.000000000000000 b 0.000000000000000 12.351890130000003 0.000000000000000 c -2.013461586827962 0.000000000000000 6.088139163629045Atomic positions (fractional): 1 Cs 0.25226073028744 0.91582783729141 0.28064131207507 132.905 2 Cs 0.25226073028744 0.58417216270859 0.78064131207507 132.905 3 Cs 0.74773926971256 0.41582783729141 0.21935868792493 132.905 4 Cs 0.74773926971256 0.08417216270859 0.71935868792493 132.905 5 Ga 0.80760782242773 0.77210651722909 0.35102641354539 69.723 6 Ga 0.19239217757227 0.27210651722909 0.14897358645461 69.723 7 Ga 0.80760782242773 0.72789348277091 0.85102641354539 69.723 8 Ga 0.19239217757227 0.22789348277091 0.64897358645461 69.723 9 S 0.01812844557744 0.32692059640575 0.81177604334164 32.065 10 S 0.01812844557744 0.17307940359425 0.31177604334164 32.065 11 S 0.55117245873525 0.67269432087176 0.35671194702318 32.065 12 S 0.68835867816031 0.58143121097793 0.63460049076180 32.065 13 S 0.31164132183969 0.41856878902207 0.36539950923820 32.065 14 S 0.68835867816031 0.91856878902207 0.13460049076180 32.065 15 S 0.55117245873525 0.82730567912824 0.85671194702318 32.065 16 S 0.44882754126475 0.17269432087176 0.14328805297682 32.065 17 S 0.98187155442256 0.82692059640575 0.68822395665836 32.065 18 S 0.98187155442256 0.67307940359425 0.18822395665836 32.065 19 S 0.44882754126475 0.32730567912824 0.64328805297682 32.065 20 S 0.31164132183969 0.08143121097793 0.86539950923820 32.065-------------------------------- supercell ---------------------------------Lattice vectors: a 15.080907564149266 0.000000000000000 0.000000000000000 b 0.000000000000000 12.351890130000003 0.000000000000000 c -4.026923173655924 0.000000000000000 12.176278327258091Atomic positions (fractional): 1 Cs 0.12613036514372 0.91582783729141 0.14032065603753 132.905 > 1 2 Cs 0.62613036514372 0.91582783729141 0.14032065603753 132.905 > 1 3 Cs 0.12613036514372 0.91582783729141 0.64032065603753 132.905 > 1 4 Cs 0.62613036514372 0.91582783729141 0.64032065603753 132.905 > 1 5 Cs 0.12613036514372 0.58417216270859 0.39032065603753 132.905 > 5 6 Cs 0.62613036514372 0.58417216270859 0.39032065603753 132.905 > 5 7 Cs 0.12613036514372 0.58417216270859 0.89032065603753 132.905 > 5 8 Cs 0.62613036514372 0.58417216270859 0.89032065603753 132.905 > 5 9 Cs 0.37386963485628 0.41582783729141 0.10967934396247 132.905 > 9 10 Cs 0.87386963485628 0.41582783729141 0.10967934396247 132.905 > 9 11 Cs 0.37386963485628 0.41582783729141 0.60967934396247 132.905 > 9 12 Cs 0.87386963485628 0.41582783729141 0.60967934396247 132.905 > 9 13 Cs 0.37386963485628 0.08417216270859 0.35967934396247 132.905 > 13 14 Cs 0.87386963485628 0.08417216270859 0.35967934396247 132.905 > 13 15 Cs 0.37386963485628 0.08417216270859 0.85967934396247 132.905 > 13 16 Cs 0.87386963485628 0.08417216270859 0.85967934396247 132.905 > 13 17 Ga 0.40380391121386 0.77210651722909 0.17551320677269 69.723 > 17 18 Ga 0.90380391121386 0.77210651722909 0.17551320677269 69.723 > 17 19 Ga 0.40380391121386 0.77210651722909 0.67551320677269 69.723 > 17 20 Ga 0.90380391121386 0.77210651722909 0.67551320677269 69.723 > 17 21 Ga 0.09619608878614 0.27210651722909 0.07448679322731 69.723 > 21 22 Ga 0.59619608878614 0.27210651722909 0.07448679322731 69.723 > 21 23 Ga 0.09619608878614 0.27210651722909 0.57448679322731 69.723 > 21 24 Ga 0.59619608878614 0.27210651722909 0.57448679322731 69.723 > 21 25 Ga 0.40380391121386 0.72789348277091 0.42551320677269 69.723 > 25 26 Ga 0.90380391121386 0.72789348277091 0.42551320677269 69.723 > 25 27 Ga 0.40380391121386 0.72789348277091 0.92551320677269 69.723 > 25 28 Ga 0.90380391121386 0.72789348277091 0.92551320677269 69.723 > 25 29 Ga 0.09619608878614 0.22789348277091 0.32448679322731 69.723 > 29 30 Ga 0.59619608878614 0.22789348277091 0.32448679322731 69.723 > 29 31 Ga 0.09619608878614 0.22789348277091 0.82448679322731 69.723 > 29 32 Ga 0.59619608878614 0.22789348277091 0.82448679322731 69.723 > 29 33 S 0.00906422278872 0.32692059640575 0.40588802167082 32.065 > 33 34 S 0.50906422278872 0.32692059640575 0.40588802167082 32.065 > 33 35 S 0.00906422278872 0.32692059640575 0.90588802167082 32.065 > 33 36 S 0.50906422278872 0.32692059640575 0.90588802167082 32.065 > 33 37 S 0.00906422278872 0.17307940359425 0.15588802167082 32.065 > 37 38 S 0.50906422278872 0.17307940359425 0.15588802167082 32.065 > 37 39 S 0.00906422278872 0.17307940359425 0.65588802167082 32.065 > 37 40 S 0.50906422278872 0.17307940359425 0.65588802167082 32.065 > 37 41 S 0.27558622936763 0.67269432087176 0.17835597351159 32.065 > 41 42 S 0.77558622936763 0.67269432087176 0.17835597351159 32.065 > 41 43 S 0.27558622936763 0.67269432087176 0.67835597351159 32.065 > 41 44 S 0.77558622936763 0.67269432087176 0.67835597351159 32.065 > 41 45 S 0.34417933908016 0.58143121097793 0.31730024538090 32.065 > 45 46 S 0.84417933908016 0.58143121097793 0.31730024538090 32.065 > 45 47 S 0.34417933908016 0.58143121097793 0.81730024538090 32.065 > 45 48 S 0.84417933908016 0.58143121097793 0.81730024538090 32.065 > 45 49 S 0.15582066091985 0.41856878902207 0.18269975461910 32.065 > 49 50 S 0.65582066091985 0.41856878902207 0.18269975461910 32.065 > 49 51 S 0.15582066091985 0.41856878902207 0.68269975461910 32.065 > 49 52 S 0.65582066091985 0.41856878902207 0.68269975461910 32.065 > 49 53 S 0.34417933908016 0.91856878902207 0.06730024538090 32.065 > 53 54 S 0.84417933908016 0.91856878902207 0.06730024538090 32.065 > 53 55 S 0.34417933908016 0.91856878902207 0.56730024538090 32.065 > 53 56 S 0.84417933908016 0.91856878902207 0.56730024538090 32.065 > 53 57 S 0.27558622936763 0.82730567912824 0.42835597351159 32.065 > 57 58 S 0.77558622936763 0.82730567912824 0.42835597351159 32.065 > 57 59 S 0.27558622936763 0.82730567912824 0.92835597351159 32.065 > 57 60 S 0.77558622936763 0.82730567912824 0.92835597351159 32.065 > 57 61 S 0.22441377063237 0.17269432087176 0.07164402648841 32.065 > 61 62 S 0.72441377063237 0.17269432087176 0.07164402648841 32.065 > 61 63 S 0.22441377063237 0.17269432087176 0.57164402648841 32.065 > 61 64 S 0.72441377063237 0.17269432087176 0.57164402648841 32.065 > 61 65 S 0.49093577721128 0.82692059640575 0.34411197832918 32.065 > 65 66 S 0.99093577721128 0.82692059640575 0.34411197832918 32.065 > 65 67 S 0.49093577721128 0.82692059640575 0.84411197832918 32.065 > 65 68 S 0.99093577721128 0.82692059640575 0.84411197832918 32.065 > 65 69 S 0.49093577721128 0.67307940359425 0.09411197832918 32.065 > 69 70 S 0.99093577721128 0.67307940359425 0.09411197832918 32.065 > 69 71 S 0.49093577721128 0.67307940359425 0.59411197832918 32.065 > 69 72 S 0.99093577721128 0.67307940359425 0.59411197832918 32.065 > 69 73 S 0.22441377063237 0.32730567912824 0.32164402648841 32.065 > 73 74 S 0.72441377063237 0.32730567912824 0.32164402648841 32.065 > 73 75 S 0.22441377063237 0.32730567912824 0.82164402648841 32.065 > 73 76 S 0.72441377063237 0.32730567912824 0.82164402648841 32.065 > 73 77 S 0.15582066091985 0.08143121097793 0.43269975461910 32.065 > 77 78 S 0.65582066091985 0.08143121097793 0.43269975461910 32.065 > 77 79 S 0.15582066091985 0.08143121097793 0.93269975461910 32.065 > 77 80 S 0.65582066091985 0.08143121097793 0.93269975461910 32.065 > 77----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 3.8589238 0.0000000 -0.1825961 0.0000000 4.0684991 0.0000000 -0.1825994 0.0000000 4.7261145-------------------------- Born effective charges -------------------------- 1 Cs 1.4435021 0.0826590 -0.0271689 0.0681714 1.5086213 -0.0720153 -0.0235378 -0.0641639 1.3623038 2 Cs 1.4435021 -0.0826590 -0.0271689 -0.0681714 1.5086213 0.0720153 -0.0235378 0.0641639 1.3623038 3 Cs 1.4435021 -0.0826590 -0.0271689 -0.0681714 1.5086213 0.0720153 -0.0235378 0.0641639 1.3623038 4 Cs 1.4435021 0.0826590 -0.0271689 0.0681714 1.5086213 -0.0720153 -0.0235378 -0.0641639 1.3623038 5 Ga 1.7791290 -0.1158371 -0.3350472 0.1092838 1.6393387 -0.0561054 -0.7545962 -0.1121398 2.9048992 6 Ga 1.7791290 0.1158371 -0.3350472 -0.1092838 1.6393387 0.0561054 -0.7545962 0.1121398 2.9048992 7 Ga 1.7791290 0.1158371 -0.3350472 -0.1092838 1.6393387 0.0561054 -0.7545962 0.1121398 2.9048992 8 Ga 1.7791290 -0.1158371 -0.3350472 0.1092838 1.6393387 -0.0561054 -0.7545962 -0.1121398 2.9048992 9 S -1.4437197 0.3219541 0.3241398 0.1989624 -1.2920171 0.0228187 0.3999295 0.0014708 -2.4090027 10 S -1.4437197 -0.3219541 0.3241398 -0.1989624 -1.2920171 -0.0228187 0.3999295 -0.0014708 -2.4090027 11 S -1.0679754 -0.1344506 -0.0914055 -0.2211529 -0.8523670 -0.1853243 0.2880724 -0.0055750 -0.8262246 12 S -0.7109360 -0.0806760 0.1294818 -0.0977090 -1.0035759 -0.3033499 0.0901321 -0.4078841 -1.0319758 13 S -0.7109360 -0.0806760 0.1294818 -0.0977090 -1.0035759 -0.3033499 0.0901321 -0.4078841 -1.0319758 14 S -0.7109360 0.0806760 0.1294818 0.0977090 -1.0035759 0.3033499 0.0901321 0.4078841 -1.0319758 15 S -1.0679754 0.1344506 -0.0914055 0.2211529 -0.8523670 0.1853243 0.2880724 0.0055750 -0.8262246 16 S -1.0679754 0.1344506 -0.0914055 0.2211529 -0.8523670 0.1853243 0.2880724 0.0055750 -0.8262246 17 S -1.4437197 -0.3219541 0.3241398 -0.1989624 -1.2920171 -0.0228187 0.3999295 -0.0014708 -2.4090027 18 S -1.4437197 0.3219541 0.3241398 0.1989624 -1.2920171 0.0228187 0.3999295 0.0014708 -2.4090027 19 S -1.0679754 -0.1344506 -0.0914055 -0.2211529 -0.8523670 -0.1853243 0.2880724 -0.0055750 -0.8262246 20 S -0.7109360 0.0806760 0.1294818 0.0977090 -1.0035759 0.3033499 0.0901321 0.4078841 -1.0319758----------------------------------------------------------------------------Sets of supercell forces were read from "FORCES_FC3.xz".Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".----------------------------- Force constants ------------------------------Computing fc3[ 1, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095]Computing fc3[ 17, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095]Computing fc3[ 33, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095]Computing fc3[ 41, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095]Computing fc3[ 45, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: 0.00000005 (yyy) 0.00000005 (yyy) 0.00000005 (yyy)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000005 (zx) 0.00000005 (zx) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 17:33:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 17:33:07]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [2 1 2]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/c (14)------------------------------ primitive cell ------------------------------Lattice vectors: a 7.540453782074633 0.000000000000000 0.000000000000000 b 0.000000000000000 12.351890130000003 0.000000000000000 c -2.013461586827962 0.000000000000000 6.088139163629045Atomic positions (fractional): 1 Cs 0.25226073028744 0.91582783729141 0.28064131207507 132.905 2 Cs 0.25226073028744 0.58417216270859 0.78064131207507 132.905 3 Cs 0.74773926971256 0.41582783729141 0.21935868792493 132.905 4 Cs 0.74773926971256 0.08417216270859 0.71935868792493 132.905 5 Ga 0.80760782242773 0.77210651722909 0.35102641354539 69.723 6 Ga 0.19239217757227 0.27210651722909 0.14897358645461 69.723 7 Ga 0.80760782242773 0.72789348277091 0.85102641354539 69.723 8 Ga 0.19239217757227 0.22789348277091 0.64897358645461 69.723 9 S 0.01812844557744 0.32692059640575 0.81177604334164 32.065 10 S 0.01812844557744 0.17307940359425 0.31177604334164 32.065 11 S 0.55117245873525 0.67269432087176 0.35671194702318 32.065 12 S 0.68835867816031 0.58143121097793 0.63460049076180 32.065 13 S 0.31164132183969 0.41856878902207 0.36539950923820 32.065 14 S 0.68835867816031 0.91856878902207 0.13460049076180 32.065 15 S 0.55117245873525 0.82730567912824 0.85671194702318 32.065 16 S 0.44882754126475 0.17269432087176 0.14328805297682 32.065 17 S 0.98187155442256 0.82692059640575 0.68822395665836 32.065 18 S 0.98187155442256 0.67307940359425 0.18822395665836 32.065 19 S 0.44882754126475 0.32730567912824 0.64328805297682 32.065 20 S 0.31164132183969 0.08143121097793 0.86539950923820 32.065-------------------------------- supercell ---------------------------------Lattice vectors: a 15.080907564149266 0.000000000000000 0.000000000000000 b 0.000000000000000 12.351890130000003 0.000000000000000 c -4.026923173655924 0.000000000000000 12.176278327258091Atomic positions (fractional): 1 Cs 0.12613036514372 0.91582783729141 0.14032065603753 132.905 > 1 2 Cs 0.62613036514372 0.91582783729141 0.14032065603753 132.905 > 1 3 Cs 0.12613036514372 0.91582783729141 0.64032065603753 132.905 > 1 4 Cs 0.62613036514372 0.91582783729141 0.64032065603753 132.905 > 1 5 Cs 0.12613036514372 0.58417216270859 0.39032065603753 132.905 > 5 6 Cs 0.62613036514372 0.58417216270859 0.39032065603753 132.905 > 5 7 Cs 0.12613036514372 0.58417216270859 0.89032065603753 132.905 > 5 8 Cs 0.62613036514372 0.58417216270859 0.89032065603753 132.905 > 5 9 Cs 0.37386963485628 0.41582783729141 0.10967934396247 132.905 > 9 10 Cs 0.87386963485628 0.41582783729141 0.10967934396247 132.905 > 9 11 Cs 0.37386963485628 0.41582783729141 0.60967934396247 132.905 > 9 12 Cs 0.87386963485628 0.41582783729141 0.60967934396247 132.905 > 9 13 Cs 0.37386963485628 0.08417216270859 0.35967934396247 132.905 > 13 14 Cs 0.87386963485628 0.08417216270859 0.35967934396247 132.905 > 13 15 Cs 0.37386963485628 0.08417216270859 0.85967934396247 132.905 > 13 16 Cs 0.87386963485628 0.08417216270859 0.85967934396247 132.905 > 13 17 Ga 0.40380391121386 0.77210651722909 0.17551320677269 69.723 > 17 18 Ga 0.90380391121386 0.77210651722909 0.17551320677269 69.723 > 17 19 Ga 0.40380391121386 0.77210651722909 0.67551320677269 69.723 > 17 20 Ga 0.90380391121386 0.77210651722909 0.67551320677269 69.723 > 17 21 Ga 0.09619608878614 0.27210651722909 0.07448679322731 69.723 > 21 22 Ga 0.59619608878614 0.27210651722909 0.07448679322731 69.723 > 21 23 Ga 0.09619608878614 0.27210651722909 0.57448679322731 69.723 > 21 24 Ga 0.59619608878614 0.27210651722909 0.57448679322731 69.723 > 21 25 Ga 0.40380391121386 0.72789348277091 0.42551320677269 69.723 > 25 26 Ga 0.90380391121386 0.72789348277091 0.42551320677269 69.723 > 25 27 Ga 0.40380391121386 0.72789348277091 0.92551320677269 69.723 > 25 28 Ga 0.90380391121386 0.72789348277091 0.92551320677269 69.723 > 25 29 Ga 0.09619608878614 0.22789348277091 0.32448679322731 69.723 > 29 30 Ga 0.59619608878614 0.22789348277091 0.32448679322731 69.723 > 29 31 Ga 0.09619608878614 0.22789348277091 0.82448679322731 69.723 > 29 32 Ga 0.59619608878614 0.22789348277091 0.82448679322731 69.723 > 29 33 S 0.00906422278872 0.32692059640575 0.40588802167082 32.065 > 33 34 S 0.50906422278872 0.32692059640575 0.40588802167082 32.065 > 33 35 S 0.00906422278872 0.32692059640575 0.90588802167082 32.065 > 33 36 S 0.50906422278872 0.32692059640575 0.90588802167082 32.065 > 33 37 S 0.00906422278872 0.17307940359425 0.15588802167082 32.065 > 37 38 S 0.50906422278872 0.17307940359425 0.15588802167082 32.065 > 37 39 S 0.00906422278872 0.17307940359425 0.65588802167082 32.065 > 37 40 S 0.50906422278872 0.17307940359425 0.65588802167082 32.065 > 37 41 S 0.27558622936763 0.67269432087176 0.17835597351159 32.065 > 41 42 S 0.77558622936763 0.67269432087176 0.17835597351159 32.065 > 41 43 S 0.27558622936763 0.67269432087176 0.67835597351159 32.065 > 41 44 S 0.77558622936763 0.67269432087176 0.67835597351159 32.065 > 41 45 S 0.34417933908016 0.58143121097793 0.31730024538090 32.065 > 45 46 S 0.84417933908016 0.58143121097793 0.31730024538090 32.065 > 45 47 S 0.34417933908016 0.58143121097793 0.81730024538090 32.065 > 45 48 S 0.84417933908016 0.58143121097793 0.81730024538090 32.065 > 45 49 S 0.15582066091985 0.41856878902207 0.18269975461910 32.065 > 49 50 S 0.65582066091985 0.41856878902207 0.18269975461910 32.065 > 49 51 S 0.15582066091985 0.41856878902207 0.68269975461910 32.065 > 49 52 S 0.65582066091985 0.41856878902207 0.68269975461910 32.065 > 49 53 S 0.34417933908016 0.91856878902207 0.06730024538090 32.065 > 53 54 S 0.84417933908016 0.91856878902207 0.06730024538090 32.065 > 53 55 S 0.34417933908016 0.91856878902207 0.56730024538090 32.065 > 53 56 S 0.84417933908016 0.91856878902207 0.56730024538090 32.065 > 53 57 S 0.27558622936763 0.82730567912824 0.42835597351159 32.065 > 57 58 S 0.77558622936763 0.82730567912824 0.42835597351159 32.065 > 57 59 S 0.27558622936763 0.82730567912824 0.92835597351159 32.065 > 57 60 S 0.77558622936763 0.82730567912824 0.92835597351159 32.065 > 57 61 S 0.22441377063237 0.17269432087176 0.07164402648841 32.065 > 61 62 S 0.72441377063237 0.17269432087176 0.07164402648841 32.065 > 61 63 S 0.22441377063237 0.17269432087176 0.57164402648841 32.065 > 61 64 S 0.72441377063237 0.17269432087176 0.57164402648841 32.065 > 61 65 S 0.49093577721128 0.82692059640575 0.34411197832918 32.065 > 65 66 S 0.99093577721128 0.82692059640575 0.34411197832918 32.065 > 65 67 S 0.49093577721128 0.82692059640575 0.84411197832918 32.065 > 65 68 S 0.99093577721128 0.82692059640575 0.84411197832918 32.065 > 65 69 S 0.49093577721128 0.67307940359425 0.09411197832918 32.065 > 69 70 S 0.99093577721128 0.67307940359425 0.09411197832918 32.065 > 69 71 S 0.49093577721128 0.67307940359425 0.59411197832918 32.065 > 69 72 S 0.99093577721128 0.67307940359425 0.59411197832918 32.065 > 69 73 S 0.22441377063237 0.32730567912824 0.32164402648841 32.065 > 73 74 S 0.72441377063237 0.32730567912824 0.32164402648841 32.065 > 73 75 S 0.22441377063237 0.32730567912824 0.82164402648841 32.065 > 73 76 S 0.72441377063237 0.32730567912824 0.82164402648841 32.065 > 73 77 S 0.15582066091985 0.08143121097793 0.43269975461910 32.065 > 77 78 S 0.65582066091985 0.08143121097793 0.43269975461910 32.065 > 77 79 S 0.15582066091985 0.08143121097793 0.93269975461910 32.065 > 77 80 S 0.65582066091985 0.08143121097793 0.93269975461910 32.065 > 77----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 3.8589238 0.0000000 -0.1825961 0.0000000 4.0684991 0.0000000 -0.1825994 0.0000000 4.7261145-------------------------- Born effective charges -------------------------- 1 Cs 1.4435021 0.0826590 -0.0271689 0.0681714 1.5086213 -0.0720153 -0.0235378 -0.0641639 1.3623038 2 Cs 1.4435021 -0.0826590 -0.0271689 -0.0681714 1.5086213 0.0720153 -0.0235378 0.0641639 1.3623038 3 Cs 1.4435021 -0.0826590 -0.0271689 -0.0681714 1.5086213 0.0720153 -0.0235378 0.0641639 1.3623038 4 Cs 1.4435021 0.0826590 -0.0271689 0.0681714 1.5086213 -0.0720153 -0.0235378 -0.0641639 1.3623038 5 Ga 1.7791290 -0.1158371 -0.3350472 0.1092838 1.6393387 -0.0561054 -0.7545962 -0.1121398 2.9048992 6 Ga 1.7791290 0.1158371 -0.3350472 -0.1092838 1.6393387 0.0561054 -0.7545962 0.1121398 2.9048992 7 Ga 1.7791290 0.1158371 -0.3350472 -0.1092838 1.6393387 0.0561054 -0.7545962 0.1121398 2.9048992 8 Ga 1.7791290 -0.1158371 -0.3350472 0.1092838 1.6393387 -0.0561054 -0.7545962 -0.1121398 2.9048992 9 S -1.4437197 0.3219541 0.3241398 0.1989624 -1.2920171 0.0228187 0.3999295 0.0014708 -2.4090027 10 S -1.4437197 -0.3219541 0.3241398 -0.1989624 -1.2920171 -0.0228187 0.3999295 -0.0014708 -2.4090027 11 S -1.0679754 -0.1344506 -0.0914055 -0.2211529 -0.8523670 -0.1853243 0.2880724 -0.0055750 -0.8262246 12 S -0.7109360 -0.0806760 0.1294818 -0.0977090 -1.0035759 -0.3033499 0.0901321 -0.4078841 -1.0319758 13 S -0.7109360 -0.0806760 0.1294818 -0.0977090 -1.0035759 -0.3033499 0.0901321 -0.4078841 -1.0319758 14 S -0.7109360 0.0806760 0.1294818 0.0977090 -1.0035759 0.3033499 0.0901321 0.4078841 -1.0319758 15 S -1.0679754 0.1344506 -0.0914055 0.2211529 -0.8523670 0.1853243 0.2880724 0.0055750 -0.8262246 16 S -1.0679754 0.1344506 -0.0914055 0.2211529 -0.8523670 0.1853243 0.2880724 0.0055750 -0.8262246 17 S -1.4437197 -0.3219541 0.3241398 -0.1989624 -1.2920171 -0.0228187 0.3999295 -0.0014708 -2.4090027 18 S -1.4437197 0.3219541 0.3241398 0.1989624 -1.2920171 0.0228187 0.3999295 0.0014708 -2.4090027 19 S -1.0679754 -0.1344506 -0.0914055 -0.2211529 -0.8523670 -0.1853243 0.2880724 -0.0055750 -0.8262246 20 S -0.7109360 0.0806760 0.1294818 0.0977090 -1.0035759 0.3033499 0.0901321 0.4078841 -1.0319758----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000005 (yyy) 0.00000005 (yyy) 0.00000005 (yyy)Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 7 4 8 ]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: 0.50, Number of G-points: 299, Lambda: 0.11Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/87) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 87Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.616 ( 0.000 0.000 0.000) 0.000 0.772 ( 0.000 0.000 0.000) 0.000 0.988 ( 0.000 0.000 0.000) 0.000 1.002 ( 0.000 0.000 0.000) 0.000 1.026 ( 0.000 0.000 0.000) 0.000 1.093 ( 0.000 0.000 0.000) 0.000 1.107 ( 0.000 0.000 0.000) 0.000 1.189 ( 0.000 0.000 0.000) 0.000 1.470 ( 0.000 0.000 0.000) 0.000 1.622 ( 0.000 0.000 0.000) 0.000 1.655 ( 0.000 0.000 0.000) 0.000 1.843 ( 0.000 0.000 0.000) 0.000 1.849 ( 0.000 0.000 0.000) 0.000 1.864 ( 0.000 0.000 0.000) 0.000 1.962 ( 0.000 0.000 0.000) 0.000 1.967 ( 0.000 0.000 0.000) 0.000 1.997 ( 0.000 0.000 0.000) 0.000 2.463 ( 0.000 0.000 0.000) 0.000 2.512 ( 0.000 0.000 0.000) 0.000 2.736 ( 0.000 0.000 0.000) 0.000 2.928 ( 0.000 0.000 0.000) 0.000 3.490 ( 0.000 0.000 0.000) 0.000 3.575 ( 0.000 0.000 0.000) 0.000 3.860 ( 0.000 0.000 0.000) 0.000 3.876 ( 0.000 0.000 0.000) 0.000 3.886 ( 0.000 0.000 0.000) 0.000 3.946 ( 0.000 0.000 0.000) 0.000 4.395 ( 0.000 0.000 0.000) 0.000 4.464 ( 0.000 0.000 0.000) 0.000 4.652 ( 0.000 0.000 0.000) 0.000 4.693 ( 0.000 0.000 0.000) 0.000 4.969 ( 0.000 0.000 0.000) 0.000 5.132 ( 0.000 0.000 0.000) 0.000 5.187 ( 0.000 0.000 0.000) 0.000 5.196 ( 0.000 0.000 0.000) 0.000 5.285 ( 0.000 0.000 0.000) 0.000 5.321 ( 0.000 0.000 0.000) 0.000 8.963 ( 0.000 0.000 0.000) 0.000 9.026 ( 0.000 0.000 0.000) 0.000 9.236 ( 0.000 0.000 0.000) 0.000 9.255 ( 0.000 0.000 0.000) 0.000 9.276 ( 0.000 0.000 0.000) 0.000 9.343 ( 0.000 0.000 0.000) 0.000 9.630 ( 0.000 0.000 0.000) 0.000 9.717 ( 0.000 0.000 0.000) 0.000 9.862 ( 0.000 0.000 0.000) 0.000 9.931 ( 0.000 0.000 0.000) 0.000 10.030 ( 0.000 0.000 0.000) 0.000 10.371 ( 0.000 0.000 0.000) 0.000 10.443 ( 0.000 0.000 0.000) 0.000 10.531 ( 0.000 0.000 0.000) 0.000 10.775 ( 0.000 0.000 0.000) 0.000 10.868 ( 0.000 0.000 0.000) 0.000 14.541 ( 0.000 0.000 0.000) 0.000 14.549 ( 0.000 0.000 0.000) 0.000 14.609 ( 0.000 0.000 0.000) 0.000 14.611 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/87) =======================q-point: ( 0.14 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 87Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.145 ( 4.616 0.000 7.008) 8.392 0.324 ( 15.766 0.000 3.225) 16.093 0.450 ( 20.913 0.000 6.705) 21.961 0.660 ( 4.414 0.000 -0.283) 4.423 0.739 ( -0.929 0.000 -6.821) 6.884 0.988 ( 0.140 0.000 -0.582) 0.598 1.008 ( -0.384 0.000 2.195) 2.229 1.062 ( -2.114 0.000 4.086) 4.600 1.089 ( -2.022 0.000 -0.802) 2.175 1.147 ( 2.449 0.000 4.846) 5.429 1.177 ( -1.118 0.000 0.699) 1.319 1.459 ( -0.538 0.000 -1.576) 1.665 1.581 ( -3.781 0.000 -0.847) 3.875 1.801 ( -5.676 0.000 5.172) 7.679 1.828 ( -3.662 0.000 0.326) 3.676 1.829 ( -0.739 0.000 -1.748) 1.898 1.879 ( -1.500 0.000 1.297) 1.983 1.938 ( 0.060 0.000 -2.683) 2.684 2.029 ( 2.825 0.000 2.022) 3.474 2.187 ( -0.587 0.000 -3.989) 4.032 2.480 ( 2.075 0.000 -0.891) 2.259 2.512 ( 0.838 0.000 -2.354) 2.499 2.741 ( -0.327 0.000 0.937) 0.992 2.929 ( -0.106 0.000 0.699) 0.707 3.489 ( -0.105 0.000 0.556) 0.566 3.595 ( 1.549 0.000 -1.742) 2.332 3.859 ( -0.129 0.000 0.151) 0.199 3.876 ( 0.045 0.000 -0.575) 0.577 3.951 ( 2.861 0.000 -8.080) 8.571 3.956 ( 0.808 0.000 0.394) 0.899 4.397 ( 0.141 0.000 0.456) 0.477 4.467 ( 0.345 0.000 -0.415) 0.539 4.655 ( -0.044 0.000 0.997) 0.998 4.771 ( -0.360 0.000 3.973) 3.989 4.967 ( -0.131 0.000 -0.236) 0.270 5.110 ( -1.880 0.000 -0.718) 2.013 5.187 ( 0.515 0.000 -3.255) 3.296 5.203 ( 1.408 0.000 -3.547) 3.816 5.287 ( 0.046 0.000 0.084) 0.095 5.327 ( 0.420 0.000 0.692) 0.809 8.970 ( 1.377 0.000 -5.286) 5.463 9.020 ( -0.658 0.000 0.128) 0.671 9.251 ( 2.540 0.000 -7.036) 7.480 9.257 ( 0.586 0.000 -1.368) 1.488 9.280 ( 0.278 0.000 0.279) 0.394 9.343 ( -0.288 0.000 0.894) 0.940 9.639 ( 1.040 0.000 -0.604) 1.202 9.719 ( 0.312 0.000 -0.167) 0.354 9.864 ( 0.641 0.000 -2.294) 2.382 9.932 ( 0.086 0.000 0.191) 0.209 10.035 ( 0.540 0.000 -0.171) 0.566 10.350 ( -1.710 0.000 -1.211) 2.095 10.553 ( 1.817 0.000 0.941) 2.046 10.769 ( -0.618 0.000 0.073) 0.623 10.853 ( -1.439 0.000 0.062) 1.440 10.862 ( -3.644 0.000 11.746) 12.298 14.540 ( -0.075 0.000 0.010) 0.075 14.550 ( -0.078 0.000 -0.061) 0.099 14.607 ( -0.197 0.000 0.001) 0.197 14.611 ( 0.023 0.000 -0.016) 0.028======================= Grid point 2 (3/87) =======================q-point: ( 0.29 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 87Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.247 ( 2.139 0.000 4.062) 4.591 0.628 ( 13.765 0.000 3.130) 14.116 0.675 ( 0.227 0.000 -8.028) 8.031 0.762 ( 6.030 0.000 -0.416) 6.044 0.858 ( 16.298 0.000 4.802) 16.991 0.973 ( -1.288 0.000 -2.584) 2.887 1.016 ( 0.819 0.000 3.306) 3.406 1.039 ( -1.425 0.000 -0.031) 1.425 1.049 ( -0.625 0.000 0.098) 0.632 1.156 ( -1.986 0.000 1.528) 2.506 1.232 ( 4.095 0.000 1.008) 4.217 1.433 ( -0.890 0.000 -2.309) 2.475 1.473 ( -7.193 0.000 -1.001) 7.263 1.724 ( -5.073 0.000 4.928) 7.073 1.730 ( -6.814 0.000 -0.525) 6.834 1.813 ( 0.452 0.000 -1.961) 2.012 1.865 ( -0.250 0.000 1.149) 1.175 1.914 ( -0.858 0.000 -2.538) 2.679 2.079 ( 0.969 0.000 2.034) 2.253 2.130 ( -3.105 0.000 -2.548) 4.017 2.517 ( 1.369 0.000 -2.603) 2.941 2.525 ( 2.864 0.000 -0.836) 2.984 2.738 ( -0.398 0.000 0.518) 0.653 2.933 ( 0.008 0.000 0.916) 0.917 3.497 ( 0.393 0.000 0.905) 0.987 3.613 ( 1.223 0.000 -1.127) 1.663 3.858 ( -0.074 0.000 0.142) 0.160 3.870 ( -0.193 0.000 -0.717) 0.743 3.955 ( 1.483 0.000 -3.915) 4.186 3.977 ( 0.873 0.000 0.887) 1.245 4.405 ( 0.265 0.000 0.586) 0.643 4.471 ( 0.369 0.000 -0.545) 0.658 4.661 ( -0.108 0.000 1.042) 1.047 4.793 ( 0.683 0.000 1.600) 1.740 4.965 ( 0.273 0.000 -0.347) 0.442 5.061 ( -2.590 0.000 -0.650) 2.671 5.176 ( -0.018 0.000 -1.391) 1.391 5.206 ( 0.607 0.000 -1.524) 1.641 5.285 ( -0.264 0.000 -0.082) 0.277 5.342 ( 0.498 0.000 0.832) 0.969 8.962 ( 0.384 0.000 -2.445) 2.475 9.006 ( -0.809 0.000 0.357) 0.884 9.256 ( 0.523 0.000 -1.066) 1.188 9.259 ( 0.975 0.000 -2.524) 2.705 9.287 ( 0.195 0.000 0.340) 0.392 9.346 ( 0.008 0.000 1.046) 1.046 9.654 ( 0.839 0.000 -0.690) 1.086 9.728 ( 0.708 0.000 -0.128) 0.719 9.863 ( 0.319 0.000 -0.933) 0.986 9.935 ( 0.051 0.000 0.248) 0.254 10.047 ( 0.819 0.000 -0.249) 0.856 10.300 ( -2.309 0.000 -1.488) 2.747 10.598 ( 1.933 0.000 0.982) 2.168 10.756 ( -0.674 0.000 0.119) 0.685 10.821 ( -1.731 0.000 0.050) 1.732 10.868 ( -1.072 0.000 4.545) 4.669 14.539 ( -0.073 0.000 0.034) 0.081 14.547 ( -0.133 0.000 -0.062) 0.147 14.603 ( -0.232 0.000 -0.042) 0.236 14.611 ( 0.015 0.000 0.023) 0.028======================= Grid point 3 (4/87) =======================q-point: ( 0.43 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 87Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.280 ( 0.351 0.000 0.453) 0.573 0.652 ( 0.716 0.000 -3.012) 3.096 0.825 ( 2.810 0.000 0.511) 2.856 0.868 ( 5.345 0.000 1.625) 5.586 0.938 ( -0.514 0.000 -1.518) 1.602 0.972 ( 0.157 0.000 0.186) 0.243 1.029 ( -0.797 0.000 0.465) 0.923 1.052 ( 2.842 0.000 -1.824) 3.377 1.142 ( 1.100 0.000 2.412) 2.651 1.239 ( 11.090 0.000 4.265) 11.882 1.300 ( -9.569 0.000 -0.907) 9.612 1.305 ( 4.431 0.000 0.098) 4.432 1.404 ( -0.515 0.000 -1.528) 1.613 1.560 ( -9.944 0.000 -1.980) 10.140 1.682 ( -1.663 0.000 1.766) 2.426 1.823 ( 1.267 0.000 -0.849) 1.525 1.879 ( -1.388 0.000 -0.910) 1.660 1.885 ( 1.090 0.000 0.869) 1.394 2.056 ( -2.524 0.000 -1.190) 2.791 2.096 ( 0.075 0.000 0.678) 0.682 2.525 ( 0.646 0.000 -1.052) 1.234 2.566 ( 1.381 0.000 -0.250) 1.403 2.734 ( -0.195 0.000 0.160) 0.252 2.938 ( 0.027 0.000 0.420) 0.421 3.510 ( 0.295 0.000 0.490) 0.572 3.624 ( 0.442 0.000 -0.470) 0.645 3.858 ( 0.030 0.000 0.110) 0.114 3.862 ( -0.202 0.000 -0.383) 0.433 3.957 ( 0.502 0.000 -1.307) 1.400 3.994 ( 0.386 0.000 0.408) 0.562 4.412 ( 0.144 0.000 0.277) 0.312 4.473 ( 0.147 0.000 -0.262) 0.300 4.664 ( -0.057 0.000 0.405) 0.409 4.811 ( 0.368 0.000 0.507) 0.626 4.977 ( 1.250 0.000 -0.201) 1.267 5.011 ( -2.264 0.000 -0.207) 2.273 5.170 ( -0.048 0.000 -0.425) 0.428 5.207 ( 0.189 0.000 -0.474) 0.511 5.280 ( -0.152 0.000 -0.053) 0.161 5.353 ( 0.184 0.000 0.342) 0.388 8.956 ( 0.107 0.000 -0.848) 0.854 8.997 ( -0.363 0.000 0.244) 0.438 9.257 ( -0.006 0.000 -0.020) 0.021 9.262 ( 0.471 0.000 -1.101) 1.197 9.290 ( 0.017 0.000 0.149) 0.150 9.354 ( 0.146 0.000 0.452) 0.475 9.660 ( 0.190 0.000 -0.296) 0.352 9.740 ( 0.463 0.000 -0.020) 0.463 9.864 ( 0.137 0.000 -0.269) 0.302 9.937 ( 0.004 0.000 0.113) 0.113 10.059 ( 0.448 0.000 -0.128) 0.466 10.258 ( -1.125 0.000 -0.655) 1.302 10.629 ( 0.750 0.000 0.379) 0.841 10.748 ( -0.243 0.000 0.068) 0.252 10.796 ( -0.784 0.000 0.004) 0.784 10.876 ( -0.192 0.000 1.319) 1.333 14.538 ( -0.020 0.000 0.029) 0.036 14.545 ( -0.074 0.000 -0.040) 0.084 14.599 ( -0.102 0.000 -0.023) 0.105 14.612 ( 0.005 0.000 0.015) 0.016======================= Grid point 7 (5/87) =======================q-point: ( 0.00 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 58Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.259 ( 0.000 12.174 0.000) 12.174 0.311 ( 0.000 14.795 0.000) 14.795 0.514 ( 0.000 21.086 0.000) 21.086 0.612 ( 0.000 -3.667 0.000) 3.667 0.788 ( 0.000 2.224 0.000) 2.224 0.910 ( 0.000 -5.754 0.000) 5.754 0.945 ( 0.000 -3.333 0.000) 3.333 1.027 ( 0.000 -0.698 0.000) 0.698 1.075 ( 0.000 1.050 0.000) 1.050 1.187 ( 0.000 3.503 0.000) 3.503 1.194 ( 0.000 0.141 0.000) 0.141 1.489 ( 0.000 1.880 0.000) 1.880 1.576 ( 0.000 -10.086 0.000) 10.086 1.604 ( 0.000 -3.698 0.000) 3.698 1.746 ( 0.000 -4.226 0.000) 4.226 1.824 ( 0.000 -2.727 0.000) 2.727 1.870 ( 0.000 0.627 0.000) 0.627 1.875 ( 0.000 0.427 0.000) 0.427 2.170 ( 0.000 7.061 0.000) 7.061 2.311 ( 0.000 -0.887 0.000) 0.887 2.470 ( 0.000 0.614 0.000) 0.614 2.503 ( 0.000 -0.781 0.000) 0.781 2.771 ( 0.000 3.140 0.000) 3.140 2.905 ( 0.000 -2.202 0.000) 2.202 3.501 ( 0.000 1.035 0.000) 1.035 3.561 ( 0.000 -1.264 0.000) 1.264 3.865 ( 0.000 0.395 0.000) 0.395 3.876 ( 0.000 -0.091 0.000) 0.091 3.894 ( 0.000 0.736 0.000) 0.736 3.937 ( 0.000 -0.859 0.000) 0.859 4.464 ( 0.000 -0.026 0.000) 0.026 4.467 ( 0.000 -0.164 0.000) 0.164 4.659 ( 0.000 0.608 0.000) 0.608 4.688 ( 0.000 -0.512 0.000) 0.512 5.137 ( 0.000 0.469 0.000) 0.469 5.149 ( 0.000 0.061 0.000) 0.061 5.189 ( 0.000 0.167 0.000) 0.167 5.195 ( 0.000 -0.098 0.000) 0.098 5.301 ( 0.000 0.021 0.000) 0.021 5.316 ( 0.000 -0.497 0.000) 0.497 8.971 ( 0.000 0.761 0.000) 0.761 9.015 ( 0.000 -0.983 0.000) 0.983 9.237 ( 0.000 0.143 0.000) 0.143 9.249 ( 0.000 -0.413 0.000) 0.413 9.297 ( 0.000 1.018 0.000) 1.018 9.337 ( 0.000 -0.639 0.000) 0.639 9.654 ( 0.000 1.014 0.000) 1.014 9.706 ( 0.000 -1.019 0.000) 1.019 9.872 ( 0.000 0.937 0.000) 0.937 9.920 ( 0.000 -0.950 0.000) 0.950 10.327 ( 0.000 0.630 0.000) 0.630 10.362 ( 0.000 -0.794 0.000) 0.794 10.458 ( 0.000 1.350 0.000) 1.350 10.519 ( 0.000 -1.084 0.000) 1.084 10.871 ( 0.000 0.261 0.000) 0.261 10.884 ( 0.000 -0.245 0.000) 0.245 14.542 ( 0.000 0.119 0.000) 0.119 14.548 ( 0.000 -0.117 0.000) 0.117 14.609 ( 0.000 0.019 0.000) 0.019 14.610 ( 0.000 -0.021 0.000) 0.021======================= Grid point 8 (6/87) =======================q-point: ( 0.14 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.273 ( 1.855 9.697 -0.465) 9.884 0.379 ( 8.216 9.172 0.695) 12.333 0.605 ( 1.764 -4.749 -6.117) 7.943 0.687 ( 11.245 10.644 5.469) 16.421 0.786 ( 0.432 3.961 -0.846) 4.073 0.914 ( 0.744 -3.649 1.929) 4.194 0.968 ( 0.982 -2.287 1.158) 2.745 1.062 ( 0.846 2.122 -1.059) 2.518 1.084 ( 1.105 -1.684 4.025) 4.501 1.179 ( -0.442 1.687 -1.073) 2.048 1.200 ( 0.356 2.329 0.203) 2.365 1.445 ( -2.551 -0.295 -1.966) 3.234 1.567 ( -2.900 -3.226 -1.087) 4.472 1.619 ( -0.132 -12.560 3.084) 12.934 1.756 ( 0.931 -2.033 -1.584) 2.740 1.834 ( -0.168 -1.173 1.293) 1.754 1.865 ( -1.034 0.610 0.638) 1.359 1.913 ( 3.080 -2.990 1.760) 4.639 2.118 ( -4.350 7.866 -0.673) 9.013 2.264 ( -3.009 1.266 -2.580) 4.161 2.481 ( 1.695 0.207 -1.011) 1.984 2.506 ( 0.923 -0.632 -1.799) 2.118 2.772 ( -0.235 2.958 0.722) 3.054 2.905 ( -0.226 -2.247 0.860) 2.416 3.500 ( 0.232 1.185 -0.071) 1.209 3.574 ( 1.564 -1.680 -1.271) 2.624 3.864 ( -0.089 0.348 -0.143) 0.386 3.875 ( 0.037 -0.160 -0.468) 0.496 3.917 ( 2.229 -0.736 -2.382) 3.344 3.946 ( 0.565 -0.884 0.827) 1.336 4.445 ( -0.922 1.843 -0.713) 2.181 4.467 ( 0.374 -0.025 -0.432) 0.572 4.664 ( 0.220 0.855 0.939) 1.289 4.723 ( 1.748 -2.193 2.213) 3.572 5.058 ( -4.926 3.802 -0.407) 6.236 5.110 ( -2.275 -0.073 -0.710) 2.385 5.187 ( 0.442 0.083 -2.761) 2.797 5.197 ( 0.832 -0.383 -2.019) 2.217 5.297 ( 0.195 0.892 0.332) 0.971 5.336 ( 0.421 -0.026 0.662) 0.785 8.971 ( 0.561 0.407 -2.217) 2.323 9.009 ( -0.622 -0.934 0.125) 1.129 9.246 ( 1.648 -0.203 -3.181) 3.588 9.251 ( 0.221 -0.335 -0.142) 0.426 9.297 ( 0.127 1.136 -0.230) 1.166 9.337 ( -0.175 -0.608 0.623) 0.888 9.658 ( 0.844 1.343 -0.862) 1.805 9.712 ( 0.582 -0.867 -0.331) 1.095 9.871 ( 0.236 0.726 -1.013) 1.268 9.913 ( -0.135 -1.046 -0.595) 1.211 10.154 ( -4.445 7.033 -3.511) 9.031 10.326 ( -2.524 -2.214 -1.740) 3.782 10.557 ( 2.889 0.564 2.088) 3.609 10.664 ( 5.388 -5.756 6.565) 10.260 10.855 ( -1.527 0.193 0.122) 1.544 10.863 ( -2.396 -0.063 2.443) 3.422 14.541 ( -0.072 0.123 0.006) 0.142 14.548 ( -0.053 -0.147 -0.011) 0.157 14.608 ( -0.163 0.052 0.003) 0.171 14.610 ( -0.011 -0.049 -0.007) 0.050======================= Grid point 9 (7/87) =======================q-point: ( 0.29 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.311 ( 1.747 5.567 -0.086) 5.835 0.569 ( 6.183 -2.516 -3.513) 7.543 0.612 ( 7.081 -3.734 -2.196) 8.301 0.808 ( 2.386 2.485 -0.063) 3.445 0.841 ( 2.051 -5.740 1.014) 6.179 0.960 ( -0.195 -3.222 3.643) 4.867 1.014 ( 0.463 3.713 -0.230) 3.749 1.088 ( -0.665 1.837 1.121) 2.252 1.122 ( 9.202 8.628 -1.175) 12.669 1.174 ( -0.038 0.311 1.024) 1.071 1.226 ( 2.684 1.187 0.308) 2.951 1.371 ( -4.859 -2.146 -1.199) 5.446 1.461 ( -5.398 -3.372 -1.140) 6.466 1.664 ( 2.424 -6.762 3.277) 7.896 1.755 ( -0.637 1.601 -0.891) 1.940 1.828 ( -0.863 -0.167 0.861) 1.230 1.830 ( -2.384 1.216 -0.343) 2.698 1.954 ( -0.645 -2.204 0.224) 2.307 2.040 ( -2.577 3.548 0.104) 4.387 2.176 ( -4.346 0.580 -2.520) 5.057 2.517 ( 1.553 -0.190 -2.002) 2.541 2.519 ( 2.557 -0.368 -1.174) 2.838 2.770 ( -0.431 2.935 0.690) 3.046 2.908 ( -0.134 -2.419 1.025) 2.631 3.512 ( 0.745 1.457 0.414) 1.688 3.597 ( 1.449 -1.625 -1.029) 2.408 3.861 ( -0.091 0.299 0.070) 0.321 3.871 ( -0.167 -0.001 -0.434) 0.465 3.935 ( 1.261 -0.932 -2.194) 2.697 3.963 ( 0.675 -1.216 0.571) 1.504 4.435 ( 0.013 2.058 -0.073) 2.059 4.472 ( 0.439 0.017 -0.464) 0.639 4.675 ( 0.210 1.389 1.026) 1.739 4.763 ( 1.193 -2.361 1.478) 3.030 4.998 ( -1.371 2.380 -0.652) 2.823 5.057 ( -2.559 -0.459 -0.729) 2.700 5.178 ( 0.026 0.217 -1.363) 1.381 5.198 ( 0.465 -0.608 -1.273) 1.485 5.299 ( -0.190 1.294 0.214) 1.326 5.344 ( 0.097 -0.140 0.594) 0.618 8.965 ( 0.158 0.327 -1.666) 1.705 8.996 ( -0.757 -0.862 0.263) 1.177 9.254 ( 0.505 -0.135 -0.845) 0.994 9.256 ( 0.931 -0.232 -1.867) 2.099 9.299 ( 0.103 1.030 0.242) 1.063 9.340 ( 0.028 -0.628 0.823) 1.035 9.671 ( 0.867 1.404 -0.817) 1.841 9.723 ( 0.750 -0.626 -0.292) 1.019 9.870 ( 0.267 0.620 -0.802) 1.048 9.914 ( 0.312 -1.447 -0.192) 1.492 10.100 ( -0.950 4.199 -0.732) 4.367 10.264 ( -2.562 -3.113 -1.546) 4.318 10.624 ( 2.642 2.336 1.611) 3.877 10.743 ( 1.371 -1.783 1.288) 2.592 10.821 ( -2.050 -0.045 0.349) 2.080 10.842 ( -1.358 -1.586 2.704) 3.416 14.540 ( -0.081 0.115 0.024) 0.143 14.546 ( -0.122 -0.123 -0.040) 0.178 14.604 ( -0.194 0.124 -0.029) 0.232 14.610 ( -0.020 -0.112 0.017) 0.115======================= Grid point 10 (8/87) =======================q-point: ( 0.43 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.330 ( 0.549 4.420 -0.564) 4.489 0.574 ( 0.938 -6.365 -3.374) 7.265 0.802 ( 6.917 -3.717 2.332) 8.191 0.852 ( 1.540 0.294 0.217) 1.583 0.862 ( 0.269 -3.918 -0.025) 3.927 0.952 ( -1.679 -1.651 -0.002) 2.354 1.014 ( 3.014 -1.825 -0.575) 3.570 1.072 ( -0.887 0.816 -0.402) 1.270 1.152 ( -1.543 1.380 1.754) 2.713 1.194 ( -4.355 -4.967 -2.422) 7.036 1.266 ( -1.809 0.109 0.587) 1.905 1.373 ( 3.157 0.171 -0.772) 3.255 1.439 ( 8.549 7.926 2.560) 11.936 1.659 ( -8.522 7.798 -1.393) 11.635 1.724 ( 0.627 2.073 2.247) 3.121 1.814 ( 1.321 -1.894 -1.483) 2.744 1.839 ( 1.802 -2.191 1.288) 3.115 1.907 ( -2.805 -0.110 -1.281) 3.085 2.014 ( -1.336 -1.500 0.465) 2.062 2.093 ( -2.159 -1.087 -1.058) 2.639 2.529 ( 0.713 0.310 -0.879) 1.174 2.555 ( 1.276 -0.903 -0.383) 1.609 2.767 ( -0.201 3.003 0.268) 3.022 2.911 ( -0.039 -2.587 0.458) 2.628 3.527 ( 0.413 1.631 0.277) 1.705 3.612 ( 0.559 -1.331 -0.392) 1.496 3.861 ( 0.005 0.264 0.175) 0.317 3.865 ( -0.185 0.199 -0.281) 0.390 3.941 ( 0.413 -0.916 -0.853) 1.318 3.975 ( 0.295 -1.631 0.176) 1.667 4.438 ( 0.116 1.938 0.060) 1.943 4.476 ( 0.193 0.127 -0.210) 0.312 4.683 ( 0.074 1.790 0.406) 1.837 4.785 ( 0.442 -2.299 0.505) 2.395 4.988 ( 0.498 0.904 -0.272) 1.067 5.011 ( -1.846 -0.054 -0.241) 1.863 5.173 ( -0.021 0.301 -0.436) 0.530 5.199 ( 0.162 -0.711 -0.430) 0.847 5.296 ( -0.163 1.398 0.038) 1.408 5.348 ( 0.005 -0.588 0.257) 0.642 8.959 ( 0.032 0.289 -0.633) 0.697 8.987 ( -0.340 -0.832 0.175) 0.916 9.256 ( 0.071 -0.029 -0.058) 0.096 9.260 ( 0.399 -0.177 -0.937) 1.034 9.302 ( 0.032 1.021 0.158) 1.034 9.346 ( 0.119 -0.741 0.371) 0.837 9.678 ( 0.243 1.521 -0.331) 1.576 9.734 ( 0.430 -0.682 -0.085) 0.811 9.871 ( 0.148 0.638 -0.265) 0.707 9.918 ( 0.168 -1.445 -0.032) 1.455 10.089 ( -0.097 2.605 -0.177) 2.612 10.220 ( -1.134 -3.129 -0.600) 3.382 10.668 ( 1.117 3.322 0.570) 3.551 10.757 ( 0.105 0.704 -0.016) 0.711 10.791 ( -1.013 -0.537 0.140) 1.155 10.842 ( -0.211 -2.912 1.176) 3.147 14.539 ( -0.029 0.090 0.020) 0.097 14.544 ( -0.067 -0.097 -0.028) 0.121 14.601 ( -0.085 0.182 -0.017) 0.202 14.610 ( -0.010 -0.163 0.010) 0.164======================= Grid point 14 (9/87) =======================q-point: ( 0.00 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 58Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.478 ( 0.000 -9.094 0.000) 9.094 0.478 ( 0.000 9.094 0.000) 9.094 0.579 ( 0.000 -10.561 0.000) 10.561 0.579 ( 0.000 10.561 0.000) 10.561 0.871 ( 0.000 -3.688 0.000) 3.688 0.871 ( 0.000 3.688 0.000) 3.688 0.973 ( 0.000 -6.389 0.000) 6.389 0.973 ( 0.000 6.389 0.000) 6.389 1.158 ( 0.000 -5.638 0.000) 5.638 1.158 ( 0.000 5.638 0.000) 5.638 1.283 ( 0.000 -10.405 0.000) 10.405 1.283 ( 0.000 10.405 0.000) 10.405 1.541 ( 0.000 -3.077 0.000) 3.077 1.541 ( 0.000 3.077 0.000) 3.077 1.761 ( 0.000 -2.932 0.000) 2.932 1.761 ( 0.000 2.932 0.000) 2.932 1.880 ( 0.000 -0.181 0.000) 0.181 1.880 ( 0.000 0.181 0.000) 0.181 2.272 ( 0.000 -3.239 0.000) 3.239 2.272 ( 0.000 3.239 0.000) 3.239 2.486 ( 0.000 -0.878 0.000) 0.878 2.486 ( 0.000 0.878 0.000) 0.878 2.844 ( 0.000 -3.612 0.000) 3.612 2.844 ( 0.000 3.612 0.000) 3.612 3.529 ( 0.000 -1.660 0.000) 1.660 3.529 ( 0.000 1.660 0.000) 1.660 3.872 ( 0.000 -0.287 0.000) 0.287 3.872 ( 0.000 0.287 0.000) 0.287 3.915 ( 0.000 -1.213 0.000) 1.213 3.915 ( 0.000 1.213 0.000) 1.213 4.464 ( 0.000 -0.087 0.000) 0.087 4.464 ( 0.000 0.087 0.000) 0.087 4.674 ( 0.000 -0.786 0.000) 0.786 4.674 ( 0.000 0.786 0.000) 0.786 5.147 ( 0.000 -0.345 0.000) 0.345 5.147 ( 0.000 0.345 0.000) 0.345 5.192 ( 0.000 -0.170 0.000) 0.170 5.192 ( 0.000 0.170 0.000) 0.170 5.305 ( 0.000 -0.409 0.000) 0.409 5.305 ( 0.000 0.409 0.000) 0.409 8.992 ( 0.000 -1.203 0.000) 1.203 8.992 ( 0.000 1.203 0.000) 1.203 9.242 ( 0.000 -0.296 0.000) 0.296 9.242 ( 0.000 0.296 0.000) 0.296 9.319 ( 0.000 -1.043 0.000) 1.043 9.319 ( 0.000 1.043 0.000) 1.043 9.680 ( 0.000 -1.430 0.000) 1.430 9.680 ( 0.000 1.430 0.000) 1.430 9.896 ( 0.000 -1.325 0.000) 1.325 9.896 ( 0.000 1.325 0.000) 1.325 10.344 ( 0.000 -0.930 0.000) 0.930 10.344 ( 0.000 0.930 0.000) 0.930 10.490 ( 0.000 -1.644 0.000) 1.644 10.490 ( 0.000 1.644 0.000) 1.644 10.877 ( 0.000 -0.359 0.000) 0.359 10.877 ( 0.000 0.359 0.000) 0.359 14.545 ( 0.000 -0.167 0.000) 0.167 14.545 ( 0.000 0.167 0.000) 0.167 14.610 ( 0.000 -0.028 0.000) 0.028 14.610 ( 0.000 0.028 0.000) 0.028======================= Grid point 16 (10/87) =======================q-point: ( 0.14 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 85Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.467 ( 0.630 -8.563 -5.024) 9.948 0.467 ( 0.630 8.563 -5.024) 9.948 0.603 ( 2.501 -11.071 0.087) 11.350 0.603 ( 2.501 11.071 0.087) 11.350 0.877 ( -0.271 -3.840 2.312) 4.491 0.877 ( -0.271 3.840 2.312) 4.491 1.030 ( 3.905 -3.975 2.216) 5.996 1.030 ( 3.905 3.975 2.216) 5.996 1.171 ( 1.447 -3.953 -1.264) 4.396 1.171 ( 1.447 3.953 -1.264) 4.396 1.306 ( 2.511 -12.227 0.748) 12.505 1.306 ( 2.511 12.227 0.748) 12.505 1.491 ( -4.350 -3.085 -1.133) 5.452 1.491 ( -4.350 3.085 -1.133) 5.452 1.787 ( 1.878 -2.954 0.510) 3.537 1.787 ( 1.878 2.954 0.510) 3.537 1.882 ( -0.320 -0.973 1.290) 1.647 1.882 ( -0.320 0.973 1.290) 1.647 2.234 ( -3.301 -3.723 -1.638) 5.239 2.234 ( -3.301 3.723 -1.638) 5.239 2.491 ( 1.147 -0.715 -1.303) 1.877 2.491 ( 1.147 0.715 -1.303) 1.877 2.843 ( -0.344 -3.608 0.890) 3.732 2.843 ( -0.344 3.608 0.890) 3.732 3.535 ( 0.853 -2.035 -0.653) 2.301 3.535 ( 0.853 2.035 -0.653) 2.301 3.870 ( -0.005 -0.272 -0.447) 0.523 3.870 ( -0.005 0.272 -0.447) 0.523 3.925 ( 0.803 -1.008 0.021) 1.288 3.925 ( 0.803 1.008 0.021) 1.288 4.463 ( 0.094 -0.374 -0.365) 0.531 4.463 ( 0.094 0.374 -0.365) 0.531 4.688 ( 0.898 -1.436 1.182) 2.065 4.688 ( 0.898 1.436 1.182) 2.065 5.101 ( -3.411 -1.010 -0.715) 3.628 5.101 ( -3.411 1.010 -0.715) 3.628 5.190 ( 0.419 -0.222 -1.899) 1.957 5.190 ( 0.419 0.222 -1.899) 1.957 5.320 ( 0.602 -1.246 0.876) 1.637 5.320 ( 0.602 1.246 0.876) 1.637 8.987 ( -0.286 -1.082 -0.447) 1.205 8.987 ( -0.286 1.082 -0.447) 1.205 9.246 ( 0.645 -0.153 -0.891) 1.111 9.246 ( 0.645 0.153 -0.891) 1.111 9.320 ( -0.003 -1.043 0.185) 1.060 9.320 ( -0.003 1.043 0.185) 1.060 9.687 ( 0.855 -1.461 -0.554) 1.781 9.687 ( 0.855 1.461 -0.554) 1.781 9.891 ( -0.125 -1.140 -0.743) 1.367 9.891 ( -0.125 1.140 -0.743) 1.367 10.264 ( -4.053 -4.020 -2.929) 6.416 10.264 ( -4.053 4.020 -2.929) 6.416 10.585 ( 4.866 -2.391 4.345) 6.948 10.585 ( 4.866 2.391 4.345) 6.948 10.860 ( -1.793 -0.222 0.456) 1.863 10.860 ( -1.793 0.222 0.456) 1.863 14.545 ( -0.065 -0.179 0.005) 0.190 14.545 ( -0.065 0.179 0.005) 0.190 14.609 ( -0.085 -0.073 -0.000) 0.112 14.609 ( -0.085 0.073 -0.000) 0.112======================= Grid point 18 (11/87) =======================q-point: ( 0.29 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 85Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.448 ( 1.197 -7.412 -6.013) 9.619 0.448 ( 1.197 7.412 -6.013) 9.619 0.677 ( 4.773 -7.363 1.041) 8.837 0.677 ( 4.773 7.363 1.041) 8.837 0.886 ( -0.048 -3.766 1.720) 4.141 0.886 ( -0.048 3.766 1.720) 4.141 1.084 ( -0.019 -2.464 0.395) 2.496 1.084 ( -0.019 2.465 0.395) 2.496 1.172 ( -0.583 -1.144 -1.424) 1.918 1.172 ( -0.583 1.144 -1.424) 1.918 1.372 ( -2.496 -4.791 -0.178) 5.405 1.372 ( -2.496 4.791 -0.178) 5.405 1.443 ( 6.751 -11.329 1.564) 13.280 1.443 ( 6.751 11.329 1.564) 13.280 1.812 ( 0.437 -2.034 -0.166) 2.087 1.812 ( 0.437 2.034 -0.166) 2.087 1.879 ( -1.425 -3.653 1.825) 4.325 1.879 ( -1.425 3.653 1.825) 4.325 2.138 ( -5.069 -4.059 -2.208) 6.859 2.138 ( -5.069 4.059 -2.208) 6.859 2.514 ( 2.014 -0.117 -1.517) 2.524 2.514 ( 2.014 0.117 -1.517) 2.524 2.842 ( -0.394 -3.763 1.023) 3.920 2.842 ( -0.394 3.763 1.023) 3.920 3.553 ( 1.295 -2.415 -0.438) 2.775 3.553 ( 1.295 2.415 -0.438) 2.775 3.868 ( -0.085 -0.267 -0.068) 0.289 3.868 ( -0.085 0.267 -0.068) 0.289 3.938 ( 0.626 -1.012 -0.490) 1.287 3.938 ( 0.626 1.012 -0.490) 1.287 4.465 ( 0.322 -0.828 -0.324) 0.945 4.465 ( 0.322 0.828 -0.324) 0.945 4.714 ( 0.864 -2.308 1.171) 2.728 4.714 ( 0.864 2.308 1.171) 2.728 5.039 ( -2.359 -1.471 -0.832) 2.902 5.039 ( -2.359 1.471 -0.832) 2.902 5.186 ( 0.186 -0.524 -1.227) 1.347 5.186 ( 0.186 0.524 -1.227) 1.347 5.329 ( -0.121 -1.334 0.490) 1.426 5.329 ( -0.121 1.334 0.490) 1.426 8.977 ( -0.398 -0.882 -0.435) 1.061 8.977 ( -0.398 0.882 -0.435) 1.061 9.253 ( 0.673 -0.061 -1.031) 1.233 9.253 ( 0.673 0.061 -1.031) 1.233 9.322 ( 0.054 -1.074 0.427) 1.157 9.322 ( 0.054 1.074 0.427) 1.157 9.701 ( 0.912 -1.420 -0.607) 1.793 9.701 ( 0.912 1.420 -0.607) 1.793 9.887 ( 0.230 -1.106 -0.611) 1.284 9.887 ( 0.230 1.106 -0.611) 1.284 10.188 ( -2.459 -4.228 -1.404) 5.089 10.188 ( -2.459 4.228 -1.404) 5.089 10.684 ( 3.243 -3.392 2.463) 5.300 10.684 ( 3.243 3.392 2.463) 5.300 10.824 ( -2.131 -0.434 0.593) 2.254 10.824 ( -2.131 0.434 0.593) 2.254 14.543 ( -0.101 -0.167 -0.003) 0.195 14.543 ( -0.101 0.167 -0.003) 0.195 14.607 ( -0.105 -0.166 -0.004) 0.197 14.607 ( -0.105 0.166 -0.004) 0.197======================= Grid point 20 (12/87) =======================q-point: ( 0.43 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 85Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.440 ( 0.781 -6.276 -2.636) 6.852 0.440 ( 0.781 6.276 -2.636) 6.852 0.776 ( 3.653 -1.867 1.167) 4.265 0.776 ( 3.653 1.867 1.167) 4.265 0.902 ( 1.203 -2.793 0.817) 3.149 0.902 ( 1.203 2.793 0.817) 3.149 1.028 ( -4.088 -3.002 -1.398) 5.261 1.028 ( -4.088 3.002 -1.398) 5.261 1.158 ( -0.128 -0.316 -0.298) 0.453 1.158 ( -0.128 0.316 -0.298) 0.453 1.316 ( -1.526 -3.851 -0.133) 4.145 1.316 ( -1.526 3.851 -0.133) 4.145 1.639 ( 10.061 -9.187 1.941) 13.762 1.639 ( 10.061 9.187 1.941) 13.762 1.805 ( -2.446 -1.014 -0.428) 2.682 1.805 ( -2.446 1.014 -0.428) 2.682 1.824 ( -4.000 -4.910 0.234) 6.338 1.824 ( -4.000 4.910 0.234) 6.338 2.049 ( -2.238 -3.009 -1.017) 3.885 2.049 ( -2.238 3.009 -1.017) 3.885 2.538 ( 0.987 -0.618 -0.635) 1.327 2.538 ( 0.987 0.618 -0.635) 1.327 2.842 ( -0.165 -3.961 0.439) 3.988 2.842 ( -0.165 3.961 0.439) 3.988 3.571 ( 0.597 -2.470 -0.115) 2.544 3.571 ( 0.597 2.470 -0.115) 2.544 3.866 ( -0.081 -0.114 0.069) 0.156 3.866 ( -0.081 0.114 0.069) 0.156 3.943 ( 0.229 -1.156 -0.322) 1.222 3.943 ( 0.229 1.156 -0.322) 1.222 4.469 ( 0.191 -0.954 -0.116) 0.980 4.469 ( 0.191 0.954 -0.116) 0.980 4.731 ( 0.326 -2.772 0.449) 2.827 4.731 ( 0.326 2.772 0.449) 2.827 5.005 ( -0.798 -0.620 -0.301) 1.054 5.005 ( -0.798 0.620 -0.301) 1.054 5.183 ( 0.063 -0.720 -0.419) 0.835 5.183 ( 0.063 0.720 -0.419) 0.835 5.327 ( -0.161 -1.442 0.155) 1.459 5.327 ( -0.161 1.442 0.155) 1.459 8.969 ( -0.183 -0.756 -0.164) 0.795 8.969 ( -0.183 0.756 -0.164) 0.795 9.257 ( 0.241 -0.098 -0.435) 0.506 9.257 ( 0.241 0.098 -0.435) 0.506 9.326 ( 0.067 -1.177 0.230) 1.201 9.326 ( 0.067 1.177 0.230) 1.201 9.711 ( 0.362 -1.554 -0.243) 1.614 9.711 ( 0.362 1.554 -0.243) 1.614 9.890 ( 0.193 -1.232 -0.211) 1.265 9.890 ( 0.193 1.232 -0.211) 1.265 10.152 ( -0.846 -3.385 -0.406) 3.513 10.152 ( -0.846 3.385 -0.406) 3.513 10.741 ( 1.694 -3.162 0.671) 3.649 10.741 ( 1.694 3.162 0.671) 3.649 10.791 ( -1.477 -1.332 0.314) 2.014 10.791 ( -1.477 1.332 0.314) 2.014 14.541 ( -0.049 -0.131 -0.003) 0.140 14.541 ( -0.049 0.131 -0.003) 0.140 14.606 ( -0.046 -0.242 -0.002) 0.247 14.606 ( -0.046 0.242 -0.002) 0.247======================= Grid point 35 (13/87) =======================q-point: ( 0.00 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.234 ( 5.784 0.000 11.225) 12.628 0.287 ( -0.176 0.000 12.735) 12.737 0.596 ( -2.521 0.000 23.585) 23.720 0.644 ( -1.459 0.000 2.513) 2.906 0.938 ( -3.272 0.000 3.861) 5.061 0.991 ( -0.248 0.000 0.314) 0.400 1.047 ( -0.693 0.000 3.870) 3.931 1.092 ( -0.847 0.000 -1.806) 1.995 1.136 ( -6.731 0.000 11.941) 13.708 1.180 ( 1.038 0.000 -0.335) 1.090 1.445 ( -1.389 0.000 -1.202) 1.837 1.500 ( -3.904 0.000 9.088) 9.891 1.615 ( -0.341 0.000 -0.755) 0.829 1.674 ( 6.934 0.000 1.306) 7.055 1.739 ( 4.107 0.000 -5.836) 7.136 1.809 ( 1.226 0.000 -3.459) 3.670 1.872 ( 0.581 0.000 0.731) 0.934 1.975 ( -0.888 0.000 -1.843) 2.046 2.015 ( -0.237 0.000 3.092) 3.101 2.039 ( -1.601 0.000 4.757) 5.019 2.435 ( -0.408 0.000 -2.050) 2.090 2.486 ( -1.860 0.000 -1.820) 2.603 2.704 ( 1.831 0.000 -3.117) 3.615 2.879 ( 2.539 0.000 -4.411) 5.090 3.391 ( 2.254 0.000 -7.456) 7.790 3.457 ( 1.747 0.000 -10.345) 10.491 3.855 ( 0.398 0.000 -0.623) 0.739 3.885 ( -0.634 0.000 0.084) 0.639 4.005 ( -4.396 0.000 8.114) 9.229 4.091 ( -3.459 0.000 9.340) 9.960 4.415 ( -0.025 0.000 1.426) 1.426 4.486 ( -1.229 0.000 1.812) 2.190 4.649 ( 1.205 0.000 -0.205) 1.222 4.712 ( 2.580 0.000 -0.299) 2.597 4.935 ( 0.759 0.000 -3.116) 3.207 5.081 ( 0.901 0.000 -4.251) 4.345 5.215 ( -0.824 0.000 1.564) 1.768 5.258 ( 0.709 0.000 -2.788) 2.877 5.300 ( 1.451 0.000 -1.483) 2.075 5.428 ( -8.050 0.000 -0.961) 8.107 9.034 ( -2.159 0.000 0.350) 2.187 9.066 ( -0.500 0.000 2.512) 2.561 9.270 ( 0.533 0.000 -0.624) 0.821 9.318 ( -2.356 0.000 6.277) 6.704 9.328 ( 1.501 0.000 -1.422) 2.068 9.606 ( -12.153 0.000 1.252) 12.217 9.637 ( -0.927 0.000 0.616) 1.113 9.712 ( 0.038 0.000 -0.455) 0.457 9.934 ( -0.698 0.000 0.355) 0.783 10.025 ( -0.050 0.000 -0.441) 0.444 10.047 ( -19.847 0.000 -0.502) 19.853 10.352 ( -0.758 0.000 -1.816) 1.968 10.542 ( 1.198 0.000 1.131) 1.648 10.783 ( -0.268 0.000 0.640) 0.694 10.859 ( 0.354 0.000 -0.773) 0.850 10.889 ( 12.175 0.000 -1.328) 12.247 14.543 ( -0.060 0.000 0.228) 0.236 14.552 ( -0.099 0.000 0.267) 0.285 14.607 ( 0.183 0.000 -0.228) 0.293 14.608 ( -0.036 0.000 -0.267) 0.269======================= Grid point 36 (14/87) =======================q-point: ( 0.14 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.463 ( 9.289 0.000 8.620) 12.673 0.489 ( 7.741 0.000 9.601) 12.333 0.675 ( 3.365 0.000 1.452) 3.665 0.733 ( 3.887 0.000 20.695) 21.057 0.882 ( -5.701 0.000 7.474) 9.400 0.983 ( -1.245 0.000 0.370) 1.299 1.058 ( -1.146 0.000 -2.359) 2.622 1.058 ( -4.799 0.000 11.657) 12.606 1.101 ( 2.241 0.000 0.004) 2.241 1.188 ( -0.094 0.000 0.478) 0.487 1.373 ( -9.287 0.000 12.508) 15.579 1.419 ( -1.965 0.000 -0.954) 2.184 1.565 ( -4.360 0.000 -0.644) 4.407 1.739 ( 0.759 0.000 -4.451) 4.515 1.783 ( 0.165 0.000 -4.900) 4.903 1.839 ( 2.812 0.000 -3.048) 4.147 1.875 ( -0.608 0.000 1.485) 1.604 1.944 ( -6.670 0.000 3.888) 7.720 2.014 ( 5.022 0.000 -5.703) 7.599 2.095 ( 1.444 0.000 2.575) 2.952 2.440 ( 2.521 0.000 -2.322) 3.428 2.457 ( 0.444 0.000 -1.718) 1.775 2.718 ( 1.385 0.000 -2.642) 2.983 2.886 ( 1.259 0.000 -4.436) 4.611 3.388 ( 2.547 0.000 -7.932) 8.331 3.462 ( 5.081 0.000 -9.359) 10.650 3.857 ( 0.180 0.000 -0.475) 0.508 3.873 ( -0.517 0.000 -0.286) 0.591 3.997 ( -2.503 0.000 9.033) 9.374 4.105 ( -1.863 0.000 9.832) 10.007 4.427 ( 0.128 0.000 1.736) 1.740 4.476 ( -0.672 0.000 0.954) 1.167 4.667 ( 0.434 0.000 0.125) 0.451 4.751 ( 2.130 0.000 -2.049) 2.956 4.927 ( 0.618 0.000 -3.354) 3.410 5.056 ( -0.697 0.000 -3.817) 3.880 5.214 ( -0.385 0.000 1.749) 1.791 5.257 ( 0.945 0.000 -2.813) 2.967 5.281 ( -6.685 0.000 4.519) 8.069 5.321 ( 1.433 0.000 -1.160) 1.844 8.992 ( -2.444 0.000 1.854) 3.067 9.066 ( -1.167 0.000 2.595) 2.845 9.279 ( 0.657 0.000 -0.458) 0.800 9.312 ( -2.397 0.000 6.198) 6.645 9.345 ( 0.901 0.000 -0.718) 1.152 9.374 ( -10.186 0.000 9.307) 13.797 9.633 ( 0.319 0.000 0.035) 0.321 9.714 ( 0.488 0.000 -0.189) 0.523 9.881 ( -2.134 0.000 1.732) 2.748 9.948 ( -0.401 0.000 1.276) 1.338 10.026 ( 0.523 0.000 -0.617) 0.809 10.312 ( -1.827 0.000 -2.356) 2.982 10.579 ( 1.703 0.000 1.418) 2.216 10.775 ( -0.860 0.000 0.339) 0.924 10.847 ( -1.082 0.000 -0.638) 1.256 10.924 ( -1.397 0.000 -2.015) 2.452 14.543 ( -0.120 0.000 0.269) 0.295 14.551 ( -0.180 0.000 0.209) 0.275 14.604 ( -0.156 0.000 -0.300) 0.339 14.609 ( 0.137 0.000 -0.201) 0.243======================= Grid point 37 (15/87) =======================q-point: ( 0.29 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.580 ( -4.437 0.000 15.758) 16.370 0.693 ( 10.212 0.000 2.725) 10.570 0.780 ( 6.283 0.000 1.803) 6.536 0.855 ( -2.357 0.000 9.621) 9.906 0.941 ( -2.770 0.000 -0.159) 2.774 0.961 ( 4.815 0.000 8.123) 9.443 1.032 ( -0.696 0.000 -0.691) 0.981 1.105 ( 5.673 0.000 9.226) 10.830 1.152 ( 0.683 0.000 5.778) 5.818 1.179 ( -1.146 0.000 0.555) 1.273 1.298 ( -5.468 0.000 9.162) 10.670 1.395 ( -0.423 0.000 0.214) 0.474 1.448 ( -7.281 0.000 -1.012) 7.351 1.689 ( -6.387 0.000 -3.657) 7.360 1.735 ( 1.240 0.000 -3.007) 3.253 1.828 ( -5.617 0.000 2.433) 6.122 1.870 ( 0.575 0.000 -0.938) 1.101 1.875 ( -0.080 0.000 0.946) 0.950 2.030 ( 0.679 0.000 -5.190) 5.235 2.107 ( -0.546 0.000 -0.051) 0.549 2.476 ( 2.417 0.000 -0.742) 2.528 2.499 ( 3.772 0.000 -0.740) 3.844 2.721 ( 0.498 0.000 -2.067) 2.126 2.876 ( 1.147 0.000 -5.690) 5.805 3.391 ( 2.997 0.000 -8.084) 8.622 3.507 ( 5.191 0.000 -8.679) 10.113 3.857 ( 0.142 0.000 -0.540) 0.559 3.863 ( -0.284 0.000 -0.338) 0.442 4.010 ( -2.189 0.000 8.960) 9.223 4.133 ( -1.837 0.000 9.827) 9.997 4.438 ( -0.358 0.000 2.003) 2.035 4.476 ( 0.194 0.000 0.505) 0.541 4.665 ( -0.357 0.000 -0.475) 0.594 4.773 ( 1.638 0.000 -2.420) 2.922 4.921 ( 1.201 0.000 -3.615) 3.810 5.014 ( -1.240 0.000 -3.327) 3.551 5.221 ( -1.090 0.000 2.572) 2.793 5.224 ( -1.698 0.000 3.370) 3.774 5.258 ( 0.790 0.000 -2.281) 2.413 5.336 ( 0.887 0.000 -1.316) 1.587 8.972 ( -1.037 0.000 2.183) 2.416 9.056 ( -1.536 0.000 2.841) 3.230 9.286 ( 0.339 0.000 -0.538) 0.636 9.305 ( -2.314 0.000 6.579) 6.974 9.319 ( -2.335 0.000 6.161) 6.588 9.352 ( 0.268 0.000 -0.529) 0.594 9.645 ( 0.831 0.000 -0.202) 0.855 9.727 ( 0.824 0.000 0.164) 0.840 9.874 ( -0.277 0.000 1.590) 1.614 9.950 ( -0.322 0.000 1.101) 1.147 10.037 ( 1.010 0.000 -0.652) 1.202 10.265 ( -1.470 0.000 -1.868) 2.377 10.615 ( 1.242 0.000 0.650) 1.402 10.759 ( -0.828 0.000 0.082) 0.832 10.817 ( -1.496 0.000 -0.548) 1.593 10.883 ( -1.301 0.000 -2.214) 2.567 14.542 ( -0.149 0.000 0.306) 0.340 14.548 ( -0.207 0.000 0.183) 0.276 14.599 ( -0.136 0.000 -0.293) 0.323 14.609 ( 0.085 0.000 -0.203) 0.220======================= Grid point 38 (16/87) =======================q-point: ( 0.43 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.577 ( -5.664 0.000 14.641) 15.699 0.839 ( 2.969 0.000 1.127) 3.176 0.887 ( -0.874 0.000 8.756) 8.800 0.900 ( 2.763 0.000 -0.456) 2.801 0.916 ( 1.417 0.000 0.957) 1.710 1.007 ( -1.869 0.000 6.598) 6.857 1.011 ( 0.112 0.000 -1.799) 1.803 1.182 ( -4.399 0.000 17.909) 18.441 1.184 ( 2.726 0.000 0.765) 2.832 1.274 ( -0.147 0.000 -1.060) 1.070 1.286 ( -9.228 0.000 0.464) 9.240 1.343 ( 8.799 0.000 4.712) 9.981 1.397 ( -1.085 0.000 1.903) 2.191 1.526 ( -6.733 0.000 -0.229) 6.737 1.700 ( -3.841 0.000 -0.092) 3.843 1.794 ( 1.917 0.000 -1.954) 2.738 1.877 ( -0.315 0.000 -0.836) 0.893 1.881 ( 0.451 0.000 1.202) 1.284 2.006 ( 0.625 0.000 -3.397) 3.454 2.092 ( -0.479 0.000 -0.724) 0.868 2.521 ( 2.008 0.000 0.652) 2.111 2.554 ( 1.897 0.000 -0.379) 1.934 2.715 ( 0.262 0.000 -1.831) 1.850 2.860 ( 1.408 0.000 -7.179) 7.316 3.395 ( 2.676 0.000 -7.991) 8.428 3.541 ( 3.866 0.000 -8.214) 9.078 3.853 ( 0.040 0.000 -0.991) 0.992 3.864 ( 0.388 0.000 0.274) 0.474 4.026 ( -2.152 0.000 8.936) 9.191 4.154 ( -2.557 0.000 9.838) 10.165 4.437 ( -0.842 0.000 1.715) 1.910 4.488 ( 0.376 0.000 1.143) 1.204 4.652 ( -0.357 0.000 -1.249) 1.299 4.779 ( 0.663 0.000 -2.854) 2.930 4.932 ( 2.508 0.000 -3.909) 4.644 4.973 ( -0.842 0.000 -2.915) 3.034 5.210 ( -1.034 0.000 3.015) 3.188 5.240 ( 0.142 0.000 3.328) 3.331 5.259 ( 0.696 0.000 -1.734) 1.869 5.337 ( 0.217 0.000 -1.728) 1.742 8.977 ( -0.098 0.000 2.512) 2.514 9.047 ( -1.341 0.000 2.948) 3.239 9.284 ( 0.018 0.000 -0.775) 0.775 9.307 ( -1.529 0.000 5.208) 5.428 9.334 ( -0.714 0.000 7.720) 7.753 9.348 ( -0.239 0.000 -1.027) 1.054 9.659 ( 0.644 0.000 0.142) 0.659 9.742 ( 0.384 0.000 0.166) 0.418 9.884 ( 0.000 0.000 2.234) 2.234 9.949 ( -0.488 0.000 0.990) 1.104 10.053 ( 0.824 0.000 -0.471) 0.949 10.243 ( 0.275 0.000 -0.710) 0.761 10.630 ( 0.113 0.000 -0.193) 0.224 10.748 ( -0.346 0.000 -0.065) 0.352 10.792 ( -0.581 0.000 -0.444) 0.731 10.844 ( -1.034 0.000 -3.862) 3.998 14.541 ( -0.163 0.000 0.257) 0.305 14.547 ( -0.081 0.000 0.247) 0.260 14.596 ( 0.024 0.000 -0.247) 0.248 14.609 ( 0.053 0.000 -0.234) 0.240======================= Grid point 39 (17/87) =======================q-point: (-0.43 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.546 ( -6.162 0.000 11.252) 12.829 0.802 ( -8.073 0.000 -1.557) 8.222 0.868 ( -2.307 0.000 1.429) 2.714 0.911 ( -1.847 0.000 4.668) 5.020 0.965 ( 2.036 0.000 1.086) 2.307 1.015 ( -2.174 0.000 8.860) 9.123 1.047 ( 3.715 0.000 -2.561) 4.512 1.131 ( -6.571 0.000 1.737) 6.797 1.140 ( -12.447 0.000 4.166) 13.126 1.249 ( -4.729 0.000 17.904) 18.518 1.291 ( -3.697 0.000 -0.517) 3.733 1.309 ( 8.766 0.000 0.295) 8.771 1.463 ( 0.741 0.000 5.280) 5.331 1.591 ( 7.803 0.000 1.127) 7.884 1.638 ( -1.719 0.000 -2.173) 2.771 1.817 ( 1.501 0.000 -2.096) 2.578 1.844 ( -1.664 0.000 -2.229) 2.781 1.911 ( 1.475 0.000 2.180) 2.632 2.033 ( 4.124 0.000 -3.436) 5.367 2.082 ( -0.443 0.000 0.200) 0.486 2.553 ( 0.571 0.000 1.240) 1.365 2.560 ( -0.867 0.000 -0.287) 0.913 2.709 ( 0.366 0.000 -2.132) 2.163 2.844 ( 1.984 0.000 -7.823) 8.070 3.392 ( 2.227 0.000 -7.637) 7.955 3.548 ( 2.376 0.000 -8.344) 8.676 3.849 ( 0.232 0.000 -1.118) 1.142 3.878 ( 0.626 0.000 0.652) 0.904 4.039 ( -2.389 0.000 8.696) 9.018 4.160 ( -3.247 0.000 9.807) 10.331 4.429 ( -1.085 0.000 1.581) 1.918 4.500 ( -0.172 0.000 1.872) 1.880 4.638 ( -0.100 0.000 -1.696) 1.699 4.761 ( -0.448 0.000 -3.363) 3.392 4.944 ( 0.276 0.000 -3.097) 3.110 4.972 ( 3.655 0.000 -3.707) 5.206 5.215 ( -0.408 0.000 2.598) 2.630 5.262 ( 0.718 0.000 -1.491) 1.655 5.274 ( 0.662 0.000 5.533) 5.572 5.324 ( -0.220 0.000 -2.285) 2.296 8.997 ( 0.373 0.000 2.890) 2.914 9.046 ( -0.715 0.000 3.072) 3.155 9.278 ( 0.003 0.000 -1.041) 1.041 9.312 ( -1.460 0.000 5.350) 5.546 9.331 ( -0.529 0.000 -1.672) 1.754 9.387 ( 0.354 0.000 10.705) 10.711 9.671 ( 0.237 0.000 0.606) 0.650 9.741 ( -0.468 0.000 0.025) 0.468 9.904 ( 0.270 0.000 4.221) 4.230 9.945 ( -0.524 0.000 0.866) 1.012 10.057 ( -0.136 0.000 -0.348) 0.373 10.268 ( 2.288 0.000 0.284) 2.306 10.617 ( -1.150 0.000 -0.514) 1.259 10.747 ( 0.286 0.000 0.040) 0.289 10.790 ( -1.435 0.000 -6.422) 6.580 10.792 ( 0.854 0.000 -0.380) 0.934 14.540 ( -0.082 0.000 0.230) 0.244 14.548 ( 0.019 0.000 0.275) 0.276 14.597 ( 0.211 0.000 -0.210) 0.298 14.609 ( 0.057 0.000 -0.258) 0.265======================= Grid point 40 (18/87) =======================q-point: (-0.29 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.485 ( -6.798 0.000 8.299) 10.728 0.591 ( -12.437 0.000 -0.506) 12.448 0.772 ( -15.144 0.000 -1.140) 15.187 0.793 ( -6.246 0.000 2.295) 6.655 0.972 ( -3.707 0.000 5.559) 6.681 1.033 ( -0.845 0.000 2.961) 3.079 1.036 ( 1.922 0.000 -0.246) 1.938 1.037 ( -4.165 0.000 14.087) 14.690 1.118 ( 2.729 0.000 -1.956) 3.358 1.215 ( -4.697 0.000 -0.105) 4.698 1.298 ( -5.086 0.000 24.216) 24.745 1.480 ( 8.650 0.000 -0.418) 8.660 1.491 ( -0.949 0.000 4.341) 4.444 1.611 ( 1.421 0.000 -4.879) 5.082 1.726 ( 6.283 0.000 -1.371) 6.431 1.805 ( -0.407 0.000 -3.273) 3.298 1.829 ( 1.073 0.000 -1.927) 2.205 1.947 ( 0.861 0.000 1.299) 1.558 2.077 ( -0.936 0.000 2.286) 2.470 2.085 ( 3.219 0.000 -5.337) 6.233 2.522 ( -2.349 0.000 -0.761) 2.469 2.558 ( -1.003 0.000 1.318) 1.656 2.701 ( 0.560 0.000 -3.013) 3.064 2.840 ( 2.625 0.000 -7.081) 7.552 3.389 ( 2.414 0.000 -7.103) 7.502 3.529 ( 1.495 0.000 -8.976) 9.099 3.848 ( 0.420 0.000 -1.093) 1.171 3.892 ( 0.248 0.000 0.727) 0.768 4.042 ( -2.820 0.000 8.276) 8.743 4.155 ( -3.551 0.000 8.915) 9.596 4.418 ( -1.021 0.000 1.507) 1.821 4.503 ( -0.844 0.000 2.320) 2.469 4.629 ( 0.319 0.000 -1.650) 1.681 4.723 ( -1.205 0.000 -3.288) 3.502 4.936 ( 0.849 0.000 -2.890) 3.012 5.025 ( 4.200 0.000 -4.013) 5.809 5.222 ( -0.515 0.000 2.136) 2.198 5.267 ( 0.670 0.000 -1.483) 1.627 5.303 ( -0.179 0.000 -2.807) 2.812 5.343 ( 2.279 0.000 8.123) 8.437 9.024 ( 0.512 0.000 2.838) 2.884 9.056 ( -0.286 0.000 2.730) 2.745 9.272 ( 0.067 0.000 -1.128) 1.130 9.313 ( 0.054 0.000 -2.033) 2.034 9.318 ( -1.668 0.000 5.852) 6.085 9.496 ( 3.188 0.000 14.539) 14.885 9.672 ( -0.689 0.000 0.908) 1.140 9.728 ( -0.672 0.000 -0.133) 0.685 9.940 ( -0.387 0.000 0.657) 0.763 9.971 ( 2.851 0.000 11.985) 12.320 10.046 ( -0.635 0.000 -0.309) 0.706 10.320 ( 2.597 0.000 0.311) 2.616 10.584 ( -1.964 0.000 0.060) 1.965 10.700 ( -2.953 0.000 -10.497) 10.905 10.759 ( 0.761 0.000 0.445) 0.882 10.815 ( 1.717 0.000 -0.558) 1.805 14.541 ( 0.003 0.000 0.241) 0.241 14.550 ( 0.039 0.000 0.240) 0.243 14.601 ( 0.289 0.000 -0.226) 0.367 14.609 ( 0.087 0.000 -0.242) 0.258======================= Grid point 41 (19/87) =======================q-point: (-0.14 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.339 ( -13.819 0.000 1.949) 13.956 0.362 ( -11.989 0.000 5.481) 13.183 0.545 ( -8.268 0.000 15.659) 17.708 0.694 ( -5.342 0.000 2.944) 6.099 0.959 ( -1.598 0.000 3.386) 3.744 1.000 ( -1.159 0.000 0.504) 1.263 1.052 ( -3.445 0.000 13.087) 13.533 1.101 ( 1.099 0.000 0.594) 1.249 1.135 ( -4.075 0.000 6.957) 8.062 1.150 ( 2.436 0.000 -1.926) 3.105 1.354 ( -3.789 0.000 23.415) 23.720 1.485 ( -1.482 0.000 1.253) 1.941 1.595 ( 2.621 0.000 0.116) 2.624 1.655 ( 7.445 0.000 -6.582) 9.938 1.749 ( -1.505 0.000 -7.525) 7.674 1.827 ( 0.323 0.000 -3.452) 3.467 1.830 ( 3.152 0.000 0.941) 3.289 1.968 ( 0.888 0.000 2.293) 2.459 2.056 ( -2.583 0.000 -6.287) 6.797 2.069 ( -2.247 0.000 3.863) 4.469 2.471 ( -2.115 0.000 -1.231) 2.447 2.532 ( -2.072 0.000 -0.103) 2.074 2.696 ( 1.115 0.000 -3.386) 3.565 2.854 ( 2.981 0.000 -5.536) 6.287 3.393 ( 2.541 0.000 -7.165) 7.602 3.496 ( 1.418 0.000 -10.176) 10.274 3.851 ( 0.515 0.000 -0.877) 1.017 3.894 ( -0.389 0.000 0.475) 0.614 4.035 ( -3.255 0.000 7.502) 8.178 4.128 ( -4.634 0.000 6.628) 8.087 4.412 ( -0.559 0.000 1.405) 1.513 4.497 ( -1.269 0.000 2.325) 2.649 4.632 ( 0.907 0.000 -1.060) 1.395 4.689 ( -0.373 0.000 -0.812) 0.893 4.937 ( 1.034 0.000 -2.944) 3.120 5.070 ( 3.051 0.000 -4.253) 5.234 5.221 ( -0.826 0.000 1.749) 1.934 5.265 ( 0.267 0.000 -1.962) 1.981 5.290 ( 0.821 0.000 -2.501) 2.632 5.454 ( 3.885 0.000 4.234) 5.746 9.048 ( 0.260 0.000 1.709) 1.729 9.061 ( -0.778 0.000 1.986) 2.133 9.268 ( 0.197 0.000 -0.915) 0.936 9.312 ( 1.146 0.000 -1.982) 2.290 9.321 ( -2.079 0.000 6.281) 6.616 9.648 ( 3.475 0.000 4.766) 5.898 9.656 ( -1.433 0.000 0.973) 1.732 9.717 ( -0.327 0.000 -0.385) 0.505 9.937 ( -0.280 0.000 0.544) 0.612 10.033 ( -0.490 0.000 -0.322) 0.587 10.301 ( 21.810 0.000 25.901) 33.861 10.357 ( 1.139 0.000 -0.632) 1.303 10.500 ( -11.124 0.000 -14.559) 18.322 10.564 ( -0.344 0.000 3.010) 3.030 10.776 ( 0.518 0.000 0.746) 0.908 10.844 ( 1.595 0.000 -0.777) 1.774 14.542 ( -0.009 0.000 0.228) 0.228 14.552 ( -0.027 0.000 0.212) 0.214 14.604 ( 0.244 0.000 -0.258) 0.355 14.609 ( 0.079 0.000 -0.222) 0.236======================= Grid point 42 (20/87) =======================q-point: ( 0.00 0.25 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.352 ( -2.099 11.913 4.858) 13.036 0.481 ( 0.497 8.355 8.924) 12.235 0.622 ( 0.455 0.922 5.051) 5.155 0.704 ( -0.673 6.953 12.775) 14.560 0.888 ( -1.896 -5.866 -0.839) 6.222 0.958 ( -2.611 0.034 6.031) 6.572 1.007 ( 0.292 0.384 1.576) 1.648 1.142 ( -4.558 1.321 7.554) 8.921 1.167 ( -0.188 -0.151 2.270) 2.283 1.193 ( -0.731 3.852 4.337) 5.846 1.335 ( -5.323 -9.064 17.260) 20.209 1.447 ( -1.552 -0.121 -2.961) 3.345 1.582 ( -0.619 -5.104 0.514) 5.167 1.610 ( 1.997 -6.134 0.820) 6.503 1.722 ( -0.408 0.016 -1.851) 1.895 1.822 ( 1.910 -1.911 -0.782) 2.812 1.857 ( 1.394 1.031 0.261) 1.754 1.905 ( 0.343 -1.093 1.400) 1.809 2.126 ( 3.198 5.349 -3.955) 7.381 2.151 ( -1.942 4.552 -4.894) 6.960 2.445 ( -0.607 0.927 -1.821) 2.131 2.481 ( -1.540 -0.486 -1.692) 2.339 2.734 ( 2.006 2.744 -3.190) 4.661 2.856 ( 2.616 -2.097 -4.203) 5.377 3.396 ( 2.161 0.604 -7.922) 8.234 3.442 ( 2.132 -1.220 -9.789) 10.093 3.862 ( 0.099 0.544 -0.562) 0.789 3.882 ( -0.604 -0.294 -0.041) 0.673 4.011 ( -3.488 0.827 8.781) 9.484 4.072 ( -2.794 -1.499 9.516) 10.031 4.447 ( -0.309 1.837 0.045) 1.863 4.484 ( -1.099 -0.270 1.568) 1.933 4.656 ( 1.075 0.676 -0.114) 1.275 4.697 ( 1.595 -1.108 0.197) 1.952 4.991 ( 1.428 3.845 -5.691) 7.015 5.076 ( 1.042 -0.559 -4.752) 4.897 5.224 ( -1.584 0.945 1.854) 2.615 5.265 ( 0.860 0.646 -2.579) 2.794 5.291 ( 0.436 -0.924 -0.712) 1.245 5.361 ( -4.433 -4.472 2.516) 6.780 9.030 ( -1.927 -0.133 1.448) 2.414 9.055 ( -0.675 -0.933 2.441) 2.699 9.275 ( 0.357 0.507 -0.121) 0.632 9.305 ( -0.015 -0.730 1.367) 1.550 9.344 ( -1.501 1.067 4.168) 4.557 9.474 ( -9.910 -7.744 10.718) 16.524 9.653 ( -1.042 1.006 0.066) 1.450 9.702 ( -0.129 -0.925 -0.356) 0.999 9.908 ( -1.551 -1.607 2.157) 3.105 9.929 ( -2.702 -1.164 1.041) 3.121 10.200 ( -7.162 5.844 -5.248) 10.630 10.336 ( -1.491 -1.602 -2.368) 3.225 10.541 ( 1.942 -0.019 1.905) 2.721 10.638 ( 7.548 -7.550 7.332) 12.951 10.861 ( 0.417 0.218 -0.817) 0.943 10.875 ( 2.434 -0.452 -0.884) 2.629 14.544 ( -0.068 0.123 0.232) 0.271 14.551 ( -0.083 -0.125 0.256) 0.296 14.607 ( 0.142 0.020 -0.223) 0.265 14.608 ( 0.007 -0.006 -0.259) 0.259======================= Grid point 43 (21/87) =======================q-point: ( 0.14 0.25 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.455 ( 8.007 4.470 6.089) 11.007 0.558 ( -0.676 2.484 13.692) 13.932 0.655 ( -0.086 -1.334 5.829) 5.980 0.835 ( 2.895 -3.644 5.573) 7.261 0.906 ( 6.751 7.371 3.174) 10.488 0.924 ( -5.391 1.556 8.113) 9.864 1.024 ( 0.036 -0.356 1.350) 1.396 1.108 ( -3.603 2.647 8.091) 9.244 1.143 ( -1.423 1.517 -1.775) 2.735 1.210 ( 0.019 2.551 2.514) 3.582 1.305 ( -7.173 -5.756 15.144) 17.717 1.404 ( -1.724 -0.150 -1.429) 2.244 1.541 ( -4.066 -3.489 -1.368) 5.529 1.637 ( 1.801 -12.289 -1.385) 12.497 1.719 ( 0.629 1.992 -1.188) 2.404 1.860 ( -0.170 -1.766 1.374) 2.244 1.878 ( 0.835 1.313 -0.221) 1.572 1.923 ( 0.915 -0.647 -0.472) 1.216 2.069 ( -2.951 4.258 -2.705) 5.844 2.147 ( 0.757 2.056 -4.414) 4.928 2.443 ( 1.887 0.259 -2.074) 2.816 2.457 ( 0.582 -0.081 -1.873) 1.963 2.751 ( 1.408 2.907 -2.534) 4.106 2.870 ( 1.409 -1.674 -3.861) 4.438 3.393 ( 2.858 0.603 -8.132) 8.641 3.446 ( 4.536 -1.366 -9.181) 10.331 3.860 ( 0.060 0.242 -0.449) 0.514 3.872 ( -0.367 -0.192 -0.328) 0.529 4.013 ( -2.536 1.412 9.159) 9.608 4.088 ( -2.058 -1.560 9.690) 10.028 4.447 ( 0.001 1.461 0.881) 1.706 4.477 ( -0.460 -0.033 0.917) 1.027 4.674 ( 0.614 0.734 0.038) 0.957 4.729 ( 1.842 -1.650 -1.012) 2.672 4.968 ( -0.001 3.051 -4.786) 5.675 5.049 ( -0.672 -0.722 -4.196) 4.310 5.211 ( -0.829 -0.043 1.638) 1.836 5.243 ( -2.939 -1.408 2.076) 3.864 5.284 ( -0.056 1.026 -0.586) 1.183 5.328 ( 0.567 -0.080 -1.190) 1.321 9.000 ( -2.082 0.792 2.018) 3.006 9.052 ( -1.242 -1.244 2.485) 3.044 9.284 ( 0.287 0.470 0.550) 0.778 9.310 ( -1.302 -0.287 3.914) 4.134 9.341 ( -1.314 -0.288 2.531) 2.867 9.358 ( -6.129 -0.984 7.540) 9.766 9.647 ( 0.407 1.254 -0.152) 1.328 9.705 ( 0.603 -0.955 -0.252) 1.158 9.883 ( -1.366 0.238 1.514) 2.053 9.916 ( -0.068 -1.541 0.805) 1.740 10.106 ( -1.692 5.436 -1.728) 5.949 10.282 ( -2.242 -2.760 -2.436) 4.310 10.597 ( 2.433 1.766 1.672) 3.440 10.735 ( 1.538 -3.844 1.436) 4.382 10.849 ( -1.086 0.245 -0.666) 1.297 10.884 ( -0.755 -2.221 -0.827) 2.487 14.544 ( -0.127 0.110 0.261) 0.311 14.550 ( -0.171 -0.113 0.215) 0.297 14.605 ( -0.115 0.072 -0.281) 0.312 14.608 ( 0.091 -0.052 -0.214) 0.238======================= Grid point 44 (22/87) =======================q-point: ( 0.29 0.25 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.605 ( -3.392 2.030 15.073) 15.583 0.673 ( 9.986 -2.079 4.818) 11.281 0.721 ( 2.349 -1.677 8.025) 8.529 0.874 ( -3.301 -1.492 4.661) 5.903 0.885 ( 1.245 -1.768 3.417) 4.044 0.999 ( -1.988 -2.933 0.500) 3.578 1.032 ( -3.080 3.384 2.979) 5.460 1.133 ( -0.911 0.121 6.326) 6.392 1.167 ( 6.336 2.875 2.233) 7.307 1.225 ( 1.056 4.384 3.039) 5.437 1.277 ( -3.274 -0.921 10.130) 10.686 1.361 ( -3.213 -0.134 1.014) 3.372 1.435 ( -4.259 -2.915 -1.001) 5.258 1.685 ( 3.683 -7.699 -1.776) 8.718 1.710 ( -0.687 2.942 -2.334) 3.818 1.846 ( -3.920 1.353 0.928) 4.250 1.849 ( -2.160 1.372 2.010) 3.254 1.908 ( -0.466 0.907 -3.107) 3.270 2.023 ( -0.669 0.134 -2.324) 2.423 2.108 ( -1.863 -0.681 -2.800) 3.431 2.478 ( 2.469 0.072 -1.023) 2.673 2.490 ( 3.378 -0.689 -0.872) 3.556 2.753 ( 0.465 2.886 -2.160) 3.635 2.865 ( 0.929 -1.320 -4.589) 4.864 3.402 ( 3.370 1.129 -8.226) 8.960 3.484 ( 4.939 -2.017 -8.622) 10.139 3.859 ( 0.171 0.170 -0.566) 0.615 3.864 ( -0.149 0.030 -0.465) 0.489 4.024 ( -2.453 1.319 9.295) 9.703 4.109 ( -2.211 -2.089 9.754) 10.217 4.455 ( -0.084 1.347 1.505) 2.022 4.479 ( 0.251 0.220 0.637) 0.719 4.677 ( 0.007 1.172 -0.668) 1.349 4.752 ( 1.457 -1.816 -1.934) 3.027 4.944 ( 0.506 1.892 -3.880) 4.346 5.007 ( -1.058 -0.711 -3.494) 3.719 5.211 ( -1.164 -0.653 2.420) 2.764 5.215 ( -0.777 -0.476 2.289) 2.464 5.282 ( 0.375 1.717 -1.409) 2.253 5.333 ( 0.628 -0.399 -1.450) 1.629 8.983 ( -1.140 0.994 2.257) 2.717 9.042 ( -1.486 -1.342 2.696) 3.358 9.291 ( -0.091 0.450 1.118) 1.208 9.310 ( -1.431 0.106 4.817) 5.026 9.316 ( -2.256 0.100 5.435) 5.885 9.346 ( -0.114 -0.572 0.312) 0.661 9.661 ( 0.948 1.411 -0.168) 1.708 9.719 ( 0.915 -0.822 0.065) 1.232 9.879 ( -0.226 0.520 1.506) 1.609 9.924 ( 0.139 -1.709 1.151) 2.065 10.083 ( -0.204 3.546 -0.956) 3.678 10.230 ( -1.605 -2.985 -1.715) 3.799 10.644 ( 1.725 2.557 0.355) 3.105 10.752 ( 0.258 -1.036 -0.085) 1.071 10.818 ( -1.669 0.112 -0.542) 1.759 10.854 ( -1.314 -2.209 -1.505) 2.978 14.543 ( -0.158 0.082 0.284) 0.336 14.547 ( -0.200 -0.088 0.196) 0.294 14.601 ( -0.104 0.152 -0.277) 0.333 14.608 ( 0.052 -0.130 -0.214) 0.256======================= Grid point 45 (23/87) =======================q-point: ( 0.43 0.25 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.624 ( -4.556 4.313 13.925) 15.273 0.799 ( -0.264 -3.480 8.044) 8.768 0.841 ( 2.613 -4.117 2.125) 5.319 0.873 ( 0.640 -1.436 1.054) 1.893 0.933 ( -0.806 0.131 6.710) 6.760 0.949 ( -0.893 -2.676 -0.016) 2.821 1.012 ( 1.918 -0.021 2.219) 2.933 1.131 ( -4.544 -6.559 4.264) 9.047 1.183 ( -1.521 0.870 6.306) 6.545 1.230 ( -4.508 1.011 9.285) 10.371 1.288 ( -2.543 -0.538 1.094) 2.820 1.378 ( 1.975 -0.903 2.295) 3.160 1.466 ( 7.683 6.864 0.076) 10.303 1.610 ( -7.422 7.506 -2.146) 10.772 1.751 ( -3.914 3.474 0.267) 5.240 1.761 ( 4.669 -3.828 -3.368) 6.913 1.854 ( -0.531 -1.882 0.113) 1.959 1.883 ( -0.102 -0.211 -0.077) 0.247 1.993 ( -0.693 -0.354 -1.983) 2.130 2.073 ( 0.034 -1.843 -1.061) 2.127 2.520 ( 1.988 0.001 0.245) 2.003 2.541 ( 1.996 -0.983 -0.492) 2.279 2.745 ( 0.160 2.654 -2.188) 3.443 2.849 ( 0.913 -1.226 -5.725) 5.926 3.411 ( 2.957 1.617 -8.143) 8.812 3.515 ( 3.825 -2.332 -8.342) 9.469 3.857 ( 0.119 0.297 -0.924) 0.978 3.864 ( 0.343 -0.021 0.029) 0.345 4.036 ( -2.469 1.069 9.308) 9.689 4.123 ( -2.767 -2.517 9.670) 10.369 4.460 ( -0.440 1.732 1.675) 2.449 4.492 ( 0.307 0.229 1.195) 1.255 4.668 ( -0.150 1.556 -1.458) 2.138 4.757 ( 0.569 -1.948 -2.567) 3.272 4.943 ( 1.922 0.896 -3.813) 4.363 4.971 ( -0.389 -0.225 -3.106) 3.138 5.207 ( -0.667 -0.063 2.721) 2.803 5.227 ( 0.141 -0.832 2.323) 2.472 5.281 ( 0.339 1.555 -0.830) 1.795 5.331 ( 0.198 -0.583 -1.617) 1.730 8.984 ( -0.338 0.715 2.588) 2.706 9.033 ( -1.231 -1.226 2.878) 3.362 9.292 ( -0.117 0.697 -0.023) 0.707 9.313 ( -1.357 0.551 4.669) 4.893 9.326 ( -0.628 -0.723 5.336) 5.421 9.344 ( -0.467 -0.474 1.044) 1.238 9.677 ( 0.713 1.579 0.241) 1.749 9.735 ( 0.471 -0.705 0.168) 0.864 9.889 ( 0.012 0.551 2.134) 2.204 9.932 ( -0.178 -1.308 1.323) 1.869 10.081 ( 0.425 2.463 -0.577) 2.565 10.207 ( 0.149 -3.022 -0.595) 3.083 10.663 ( 0.319 2.812 -0.948) 2.984 10.754 ( 0.223 0.321 -0.353) 0.527 10.788 ( -1.004 -0.485 -0.538) 1.239 10.817 ( -1.079 -2.169 -3.012) 3.865 14.542 ( -0.151 0.074 0.251) 0.302 14.546 ( -0.094 -0.088 0.243) 0.275 14.598 ( 0.027 0.192 -0.242) 0.311 14.608 ( 0.048 -0.168 -0.234) 0.292======================= Grid point 46 (24/87) =======================q-point: (-0.43 0.25 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.596 ( -5.863 4.529 9.304) 11.893 0.758 ( -7.924 -2.384 -1.186) 8.360 0.821 ( -2.984 -4.492 3.070) 6.206 0.878 ( 0.223 -4.542 2.359) 5.123 0.936 ( -2.543 -0.497 6.106) 6.633 0.981 ( -1.329 -2.718 3.942) 4.970 1.041 ( -0.582 0.919 3.817) 3.969 1.136 ( 2.128 2.688 3.918) 5.207 1.209 ( -5.810 1.478 15.218) 16.356 1.241 ( 1.632 -3.793 2.218) 4.687 1.273 ( 2.325 -0.632 1.144) 2.667 1.381 ( -11.367 9.626 0.980) 14.927 1.422 ( 1.486 -3.597 3.487) 5.226 1.628 ( 4.383 3.044 -3.281) 6.264 1.698 ( -0.474 3.516 -0.215) 3.554 1.811 ( 2.117 -0.855 -1.662) 2.824 1.815 ( -1.582 -1.886 -0.897) 2.620 1.912 ( 1.834 -3.063 -0.750) 3.648 1.990 ( 1.311 1.153 -1.003) 2.013 2.101 ( 3.369 -0.510 -0.547) 3.451 2.548 ( 0.322 -0.429 0.966) 1.105 2.552 ( -0.429 -0.493 -0.421) 0.777 2.734 ( 0.343 2.274 -2.681) 3.533 2.831 ( 1.348 -1.355 -6.518) 6.792 3.411 ( 2.345 1.854 -7.833) 8.384 3.522 ( 2.434 -2.396 -8.420) 9.087 3.855 ( 0.305 0.514 -0.912) 1.090 3.875 ( 0.560 -0.290 0.382) 0.737 4.044 ( -2.732 0.725 9.016) 9.449 4.125 ( -3.458 -2.730 9.441) 10.418 4.460 ( -0.744 2.218 1.852) 2.984 4.502 ( -0.287 0.080 1.864) 1.887 4.655 ( -0.132 1.580 -1.829) 2.421 4.741 ( -0.435 -1.837 -2.970) 3.519 4.953 ( 1.021 0.752 -3.358) 3.590 4.973 ( 3.290 0.001 -3.704) 4.954 5.217 ( -0.209 0.241 2.630) 2.649 5.248 ( 0.491 -1.089 2.345) 2.632 5.286 ( 0.225 1.009 0.626) 1.209 5.323 ( 0.174 -0.261 -1.644) 1.674 9.000 ( 0.136 0.329 2.937) 2.958 9.033 ( -0.673 -1.048 3.079) 3.321 9.287 ( -0.095 0.791 -0.819) 1.142 9.315 ( -1.301 0.089 3.027) 3.295 9.330 ( -0.483 0.027 1.207) 1.300 9.371 ( -0.350 -1.368 9.314) 9.421 9.690 ( 0.213 1.544 0.709) 1.712 9.737 ( -0.348 -0.478 0.116) 0.603 9.906 ( -0.014 0.257 3.566) 3.575 9.933 ( -0.525 -0.874 1.440) 1.764 10.089 ( 0.710 2.847 -0.130) 2.937 10.231 ( 2.300 -3.146 0.486) 3.928 10.641 ( -1.610 2.090 -1.749) 3.165 10.749 ( -2.076 -1.516 -2.883) 3.863 10.765 ( 1.099 -0.095 -2.022) 2.303 10.795 ( 0.696 -0.283 -1.065) 1.303 14.541 ( -0.066 0.102 0.232) 0.262 14.547 ( 0.005 -0.120 0.263) 0.289 14.599 ( 0.184 0.170 -0.216) 0.331 14.607 ( 0.077 -0.150 -0.250) 0.302======================= Grid point 47 (25/87) =======================q-point: (-0.29 0.25 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.528 ( -6.370 3.920 5.539) 9.307 0.581 ( -9.100 2.139 1.278) 9.435 0.761 ( -4.267 -3.461 1.303) 5.646 0.831 ( -7.859 -0.656 -0.564) 7.906 0.926 ( 0.063 -1.916 4.664) 5.043 0.975 ( -2.130 -1.369 4.552) 5.209 1.088 ( -2.489 3.169 8.730) 9.615 1.113 ( -5.654 6.301 4.023) 9.373 1.175 ( -1.493 2.567 3.862) 4.872 1.214 ( -2.601 1.960 -0.548) 3.303 1.281 ( -5.373 -1.574 17.752) 18.614 1.397 ( 5.733 -3.034 1.161) 6.589 1.491 ( 3.951 -3.406 2.822) 5.931 1.596 ( -2.466 -3.694 -1.174) 4.594 1.747 ( 2.982 2.532 -2.078) 4.429 1.797 ( 0.285 0.067 -1.650) 1.676 1.832 ( 1.117 -0.039 -1.069) 1.547 1.921 ( -0.211 -5.997 -1.430) 6.169 2.025 ( 2.911 5.271 -1.195) 6.138 2.172 ( 4.019 1.121 -2.094) 4.668 2.521 ( -2.075 0.054 -0.482) 2.130 2.548 ( -1.109 -0.875 0.935) 1.694 2.724 ( 0.774 2.114 -3.573) 4.223 2.823 ( 2.137 -1.692 -6.403) 6.959 3.406 ( 2.261 1.656 -7.401) 7.914 3.504 ( 1.529 -2.219 -8.799) 9.202 3.857 ( 0.493 0.779 -0.837) 1.245 3.887 ( 0.321 -0.443 0.506) 0.745 4.043 ( -3.210 0.296 8.555) 9.142 4.110 ( -4.145 -2.958 8.970) 10.315 4.457 ( -0.698 2.437 1.640) 3.019 4.503 ( -0.904 -0.106 2.229) 2.408 4.643 ( 0.099 1.280 -1.621) 2.068 4.707 ( -1.013 -1.360 -2.652) 3.148 4.962 ( 2.129 2.062 -3.612) 4.673 5.021 ( 4.076 -0.488 -4.086) 5.792 5.229 ( -0.249 0.670 2.439) 2.541 5.268 ( 0.958 -0.299 -0.790) 1.277 5.289 ( -0.458 -0.359 0.134) 0.597 5.335 ( 0.998 -0.963 3.353) 3.628 9.023 ( 0.256 -0.042 2.929) 2.940 9.043 ( -0.371 -0.983 2.940) 3.122 9.280 ( -0.095 0.638 -0.961) 1.157 9.302 ( -0.503 -0.464 -0.365) 0.776 9.336 ( -1.143 1.205 5.027) 5.295 9.439 ( 0.256 -4.101 12.551) 13.206 9.691 ( -0.700 1.265 0.924) 1.716 9.727 ( -0.640 -0.315 -0.002) 0.713 9.924 ( -0.764 -0.898 2.314) 2.597 9.943 ( -0.015 -1.180 5.076) 5.212 10.124 ( 3.275 5.146 2.450) 6.573 10.291 ( 3.147 -2.648 0.903) 4.211 10.586 ( -2.842 0.375 -1.621) 3.294 10.654 ( -4.386 -2.841 -7.395) 9.055 10.789 ( 1.958 1.548 -0.771) 2.612 10.815 ( 1.753 -0.063 -0.624) 1.862 14.542 ( 0.007 0.120 0.238) 0.267 14.549 ( 0.026 -0.145 0.237) 0.279 14.602 ( 0.256 0.112 -0.225) 0.359 14.607 ( 0.114 -0.102 -0.239) 0.283======================= Grid point 48 (26/87) =======================q-point: (-0.14 0.25 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.420 ( -6.293 9.163 4.253) 11.901 0.482 ( -4.794 6.484 4.984) 9.480 0.646 ( -7.844 5.680 2.596) 10.027 0.707 ( -4.008 1.243 4.305) 6.012 0.943 ( -3.383 -5.382 3.809) 7.411 0.956 ( -0.788 -0.722 3.156) 3.332 1.016 ( -3.336 1.893 3.406) 5.130 1.141 ( -3.982 1.605 13.369) 14.042 1.149 ( 0.159 0.324 2.705) 2.729 1.194 ( -0.972 4.439 0.765) 4.608 1.304 ( -3.978 -3.947 16.904) 17.809 1.472 ( 1.498 -0.441 -0.489) 1.636 1.555 ( 0.180 -7.754 0.649) 7.783 1.591 ( 2.419 -2.853 1.278) 3.953 1.752 ( -0.671 -0.057 -3.283) 3.352 1.803 ( 0.978 -1.176 -0.003) 1.529 1.839 ( 0.763 0.648 -1.591) 1.880 1.902 ( -0.821 -4.170 0.319) 4.262 2.077 ( 3.878 7.029 -3.217) 8.648 2.199 ( 0.636 2.871 -4.206) 5.132 2.478 ( -1.818 0.677 -0.925) 2.149 2.521 ( -1.867 -0.977 -0.082) 2.109 2.722 ( 1.519 2.355 -3.857) 4.767 2.833 ( 2.790 -2.016 -5.414) 6.416 3.404 ( 2.305 1.032 -7.545) 7.957 3.473 ( 1.317 -1.877 -9.482) 9.755 3.861 ( 0.422 0.866 -0.743) 1.217 3.891 ( -0.245 -0.342 0.288) 0.510 4.030 ( -3.681 -0.070 8.149) 8.943 4.083 ( -4.379 -2.536 8.864) 10.207 4.454 ( -0.402 2.170 0.495) 2.262 4.496 ( -1.266 -0.258 2.051) 2.424 4.642 ( 0.662 0.903 -0.921) 1.450 4.682 ( -0.166 -0.666 -0.706) 0.985 4.983 ( 2.641 3.425 -4.704) 6.390 5.065 ( 3.161 -0.582 -4.551) 5.571 5.236 ( -0.765 1.463 2.390) 2.904 5.269 ( 0.065 0.362 -1.974) 2.008 5.284 ( 0.943 -0.536 -2.079) 2.345 5.383 ( 0.091 -5.126 5.143) 7.262 9.042 ( -0.192 -0.452 2.101) 2.158 9.050 ( -0.710 -0.835 2.506) 2.735 9.274 ( 0.049 0.512 -0.620) 0.806 9.298 ( 0.277 -0.657 -0.307) 0.776 9.344 ( -1.647 1.573 5.579) 6.026 9.514 ( -1.807 -8.665 12.013) 14.922 9.676 ( -1.292 0.829 0.668) 1.674 9.714 ( -0.700 -0.613 -0.224) 0.957 9.918 ( -0.952 -0.995 1.600) 2.111 9.963 ( -1.704 -3.004 4.228) 5.459 10.292 ( 8.834 0.462 7.702) 11.730 10.346 ( 2.014 -1.093 0.226) 2.303 10.484 ( -6.499 0.112 -6.078) 8.899 10.535 ( -1.778 -1.465 0.273) 2.320 10.827 ( 2.587 1.895 -0.798) 3.305 10.845 ( 1.686 0.072 -0.808) 1.871 14.544 ( -0.008 0.120 0.230) 0.259 14.550 ( -0.027 -0.146 0.234) 0.278 14.605 ( 0.221 0.065 -0.245) 0.337 14.608 ( 0.103 -0.057 -0.222) 0.251======================= Grid point 49 (27/87) =======================q-point: ( 0.00 -0.50 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.588 ( -2.237 -3.860 6.778) 8.115 0.588 ( -2.237 3.860 6.778) 8.115 0.609 ( -1.192 -11.600 2.415) 11.909 0.609 ( -1.192 11.600 2.415) 11.909 0.955 ( 1.891 -2.531 1.040) 3.326 0.955 ( 1.891 2.531 1.040) 3.326 1.077 ( -0.476 -8.106 6.319) 10.289 1.077 ( -0.476 8.106 6.319) 10.289 1.201 ( -4.749 -3.825 7.879) 9.963 1.201 ( -4.749 3.825 7.879) 9.963 1.319 ( -1.963 -9.468 6.278) 11.529 1.319 ( -1.963 9.468 6.278) 11.529 1.533 ( -1.382 -2.716 -0.286) 3.060 1.533 ( -1.382 2.716 -0.286) 3.060 1.765 ( 0.482 -3.091 0.432) 3.157 1.765 ( 0.482 3.091 0.432) 3.157 1.886 ( 1.364 -1.209 0.509) 1.892 1.886 ( 1.364 1.209 0.509) 1.892 2.187 ( 0.612 -0.673 -5.846) 5.916 2.187 ( 0.612 0.673 -5.846) 5.916 2.466 ( -1.045 -0.980 -1.565) 2.122 2.466 ( -1.045 0.980 -1.565) 2.122 2.800 ( 2.489 -3.314 -3.727) 5.574 2.800 ( 2.489 3.314 -3.727) 5.574 3.415 ( 2.248 -1.248 -8.911) 9.274 3.415 ( 2.248 1.248 -8.911) 9.274 3.874 ( -0.372 -0.531 -0.316) 0.721 3.874 ( -0.372 0.531 -0.316) 0.721 4.038 ( -2.754 -1.667 9.173) 9.721 4.038 ( -2.754 1.667 9.173) 9.721 4.473 ( -0.684 -0.831 0.832) 1.360 4.473 ( -0.684 0.831 0.832) 1.360 4.675 ( 1.038 -1.072 0.083) 1.495 4.675 ( 1.038 1.072 0.083) 1.495 5.052 ( 1.307 -2.002 -5.768) 6.244 5.052 ( 1.307 2.002 -5.768) 6.244 5.254 ( -2.682 -1.827 1.208) 3.462 5.254 ( -2.682 1.827 1.208) 3.462 5.295 ( 1.014 -1.869 0.166) 2.133 5.295 ( 1.014 1.869 0.166) 2.133 9.036 ( -1.218 -0.739 2.257) 2.669 9.036 ( -1.218 0.739 2.257) 2.669 9.289 ( 0.292 -0.831 0.319) 0.937 9.289 ( 0.292 0.831 0.319) 0.937 9.376 ( -4.499 -2.525 8.450) 9.901 9.376 ( -4.499 2.525 8.450) 9.901 9.678 ( -0.511 -1.316 -0.144) 1.419 9.678 ( -0.511 1.316 -0.144) 1.419 9.908 ( -1.379 -0.871 1.039) 1.933 9.908 ( -1.379 0.871 1.039) 1.933 10.288 ( -3.415 -3.184 -3.849) 6.051 10.288 ( -3.415 3.184 -3.849) 6.051 10.553 ( 4.585 -1.689 4.270) 6.489 10.553 ( 4.585 1.689 4.270) 6.489 10.867 ( 0.716 -0.335 -0.893) 1.192 10.867 ( 0.716 0.335 -0.893) 1.192 14.548 ( -0.072 -0.175 0.241) 0.306 14.548 ( -0.072 0.175 0.241) 0.306 14.608 ( 0.074 -0.020 -0.233) 0.246 14.608 ( 0.074 0.020 -0.233) 0.246======================= Grid point 51 (28/87) =======================q-point: ( 0.14 -0.50 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.585 ( -1.178 -2.150 6.986) 7.403 0.585 ( -1.178 2.150 6.986) 7.403 0.660 ( 2.045 -6.431 7.023) 9.740 0.660 ( 2.045 6.431 7.023) 9.740 0.973 ( -1.644 -2.308 2.309) 3.655 0.973 ( -1.644 2.308 2.309) 3.655 1.132 ( 1.761 -4.089 -0.789) 4.521 1.132 ( 1.761 4.089 -0.789) 4.521 1.173 ( -3.205 -5.903 12.726) 14.390 1.173 ( -3.205 5.903 12.726) 14.390 1.338 ( 1.512 -10.002 2.427) 10.402 1.338 ( 1.512 10.002 2.427) 10.402 1.471 ( -4.161 -1.679 -0.090) 4.488 1.471 ( -4.161 1.679 -0.090) 4.488 1.792 ( 1.457 -4.112 0.174) 4.366 1.792 ( 1.457 4.112 0.174) 4.366 1.906 ( 0.145 -1.253 0.921) 1.562 1.906 ( 0.145 1.253 0.921) 1.562 2.142 ( -1.608 -2.359 -5.441) 6.144 2.142 ( -1.608 2.359 -5.441) 6.144 2.451 ( 0.952 -0.475 -1.885) 2.165 2.451 ( 0.952 0.475 -1.885) 2.165 2.818 ( 1.504 -3.278 -2.935) 4.650 2.818 ( 1.504 3.278 -2.935) 4.650 3.415 ( 3.613 -1.495 -8.748) 9.582 3.415 ( 3.613 1.495 -8.748) 9.582 3.866 ( -0.146 -0.320 -0.388) 0.523 3.866 ( -0.146 0.320 -0.388) 0.523 4.049 ( -2.397 -2.048 9.412) 9.926 4.049 ( -2.397 2.048 9.412) 9.926 4.470 ( -0.125 -0.703 0.716) 1.011 4.470 ( -0.125 0.703 0.716) 1.011 4.696 ( 1.153 -1.451 -0.294) 1.876 4.696 ( 1.153 1.451 -0.294) 1.876 5.022 ( -0.564 -2.031 -4.925) 5.357 5.022 ( -0.564 2.031 -4.925) 5.357 5.218 ( -1.974 -0.809 2.212) 3.073 5.218 ( -1.974 0.809 2.212) 3.073 5.311 ( 0.968 -1.348 -1.376) 2.156 5.311 ( 0.968 1.348 -1.376) 2.156 9.023 ( -1.536 -1.422 2.257) 3.078 9.023 ( -1.536 1.422 2.257) 3.078 9.297 ( -0.346 -0.802 1.969) 2.154 9.297 ( -0.346 0.802 1.969) 2.154 9.343 ( -3.021 -0.484 5.216) 6.047 9.343 ( -3.021 0.484 5.216) 6.047 9.678 ( 0.613 -1.580 -0.247) 1.713 9.678 ( 0.613 1.580 -0.247) 1.713 9.893 ( -0.640 -0.786 0.914) 1.364 9.893 ( -0.640 0.786 0.914) 1.364 10.208 ( -2.551 -4.406 -2.518) 5.680 10.208 ( -2.551 4.406 -2.518) 5.680 10.652 ( 3.304 -3.659 2.093) 5.356 10.652 ( 3.304 3.659 2.093) 5.356 10.858 ( -1.086 -0.649 -0.693) 1.443 10.858 ( -1.086 0.649 -0.693) 1.443 14.547 ( -0.149 -0.161 0.237) 0.323 14.547 ( -0.149 0.161 0.237) 0.323 14.607 ( -0.012 -0.087 -0.242) 0.258 14.607 ( -0.012 0.087 -0.242) 0.258======================= Grid point 53 (29/87) =======================q-point: ( 0.29 -0.50 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.638 ( 0.987 -1.678 9.860) 10.051 0.638 ( 0.987 1.678 9.860) 10.051 0.759 ( 2.679 -5.298 8.735) 10.561 0.759 ( 2.679 5.298 8.735) 10.561 0.936 ( -2.884 -3.166 1.672) 4.597 0.936 ( -2.884 3.166 1.672) 4.597 1.098 ( -3.542 -3.134 -0.165) 4.732 1.098 ( -3.542 3.134 -0.165) 4.732 1.210 ( -2.157 -2.727 9.202) 9.837 1.210 ( -2.157 2.727 9.202) 9.837 1.363 ( -2.287 -3.592 -0.184) 4.262 1.363 ( -2.287 3.592 -0.184) 4.262 1.472 ( 6.785 -10.703 0.883) 12.703 1.472 ( 6.785 10.703 0.883) 12.703 1.803 ( -0.264 -4.066 -0.492) 4.104 1.803 ( -0.264 4.066 -0.492) 4.104 1.897 ( -1.854 -2.036 0.149) 2.758 1.897 ( -1.854 2.036 0.149) 2.758 2.066 ( -2.675 -3.151 -3.844) 5.645 2.066 ( -2.675 3.151 -3.844) 5.645 2.480 ( 2.744 -0.258 -1.080) 2.961 2.480 ( 2.744 0.258 -1.080) 2.961 2.819 ( 0.571 -3.098 -2.922) 4.296 2.819 ( 0.571 3.098 -2.922) 4.296 3.437 ( 4.195 -2.267 -8.486) 9.733 3.437 ( 4.195 2.267 -8.486) 9.733 3.863 ( 0.088 -0.144 -0.569) 0.594 3.863 ( 0.088 0.144 -0.569) 0.594 4.062 ( -2.598 -2.324 9.616) 10.228 4.062 ( -2.598 2.324 9.616) 10.228 4.477 ( 0.233 -0.610 0.936) 1.141 4.477 ( 0.233 0.610 0.936) 1.141 4.710 ( 0.790 -2.015 -1.208) 2.478 4.710 ( 0.790 2.015 -1.208) 2.478 4.983 ( -0.480 -1.674 -3.831) 4.208 4.983 ( -0.480 1.674 -3.831) 4.208 5.207 ( -0.802 -0.218 2.173) 2.327 5.207 ( -0.802 0.218 2.173) 2.327 5.315 ( 0.425 -1.393 -1.474) 2.073 5.315 ( 0.425 1.393 -1.474) 2.073 9.010 ( -1.338 -1.601 2.447) 3.216 9.010 ( -1.338 1.601 2.447) 3.216 9.301 ( -0.917 -0.563 3.612) 3.769 9.301 ( -0.917 0.563 3.612) 3.769 9.330 ( -0.967 -0.913 2.227) 2.594 9.330 ( -0.967 0.913 2.227) 2.594 9.694 ( 1.045 -1.621 -0.058) 1.929 9.694 ( 1.045 1.621 -0.058) 1.929 9.895 ( -0.000 -1.083 1.318) 1.706 9.895 ( -0.000 1.083 1.318) 1.706 10.159 ( -1.327 -3.794 -1.461) 4.276 10.159 ( -1.327 3.794 -1.461) 4.276 10.706 ( 1.935 -3.207 -0.066) 3.746 10.706 ( 1.935 3.207 -0.066) 3.746 10.824 ( -1.837 -0.666 -0.700) 2.076 10.824 ( -1.837 0.666 -0.700) 2.076 14.545 ( -0.180 -0.121 0.237) 0.321 14.545 ( -0.180 0.121 0.237) 0.321 14.605 ( -0.025 -0.198 -0.242) 0.314 14.605 ( -0.025 0.198 -0.242) 0.314======================= Grid point 55 (30/87) =======================q-point: ( 0.43 -0.50 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.722 ( -0.593 -4.388 12.053) 12.841 0.722 ( -0.593 4.388 12.053) 12.841 0.808 ( -2.321 -2.136 2.455) 3.997 0.808 ( -2.321 2.136 2.455) 3.997 0.939 ( 1.241 -0.853 4.004) 4.278 0.939 ( 1.241 0.853 4.004) 4.278 1.028 ( -2.362 -2.700 2.416) 4.325 1.028 ( -2.362 2.700 2.416) 4.325 1.215 ( -2.389 -1.704 7.369) 7.931 1.215 ( -2.389 1.704 7.369) 7.931 1.324 ( -1.908 -3.241 2.097) 4.306 1.324 ( -1.908 3.241 2.097) 4.306 1.628 ( 8.408 -7.933 -2.798) 11.893 1.628 ( 8.408 7.933 -2.798) 11.893 1.759 ( -4.485 -5.402 -2.526) 7.461 1.759 ( -4.485 5.402 -2.526) 7.461 1.845 ( -2.279 -2.727 1.302) 3.785 1.845 ( -2.279 2.727 1.302) 3.785 2.024 ( 0.303 -2.711 -1.486) 3.106 2.024 ( 0.303 2.711 -1.486) 3.106 2.524 ( 2.041 -0.525 -0.293) 2.127 2.524 ( 2.041 0.525 -0.293) 2.127 2.806 ( 0.247 -2.930 -3.465) 4.544 2.806 ( 0.247 2.930 -3.465) 4.544 3.459 ( 3.494 -2.871 -8.360) 9.505 3.459 ( 3.494 2.871 -8.360) 9.505 3.862 ( 0.250 -0.206 -0.525) 0.617 3.862 ( 0.250 0.206 -0.525) 0.617 4.071 ( -2.828 -2.358 9.591) 10.273 4.071 ( -2.828 2.358 9.591) 10.273 4.488 ( 0.066 -0.774 1.411) 1.611 4.488 ( 0.066 0.774 1.411) 1.611 4.710 ( 0.254 -2.412 -1.978) 3.130 4.710 ( 0.254 2.412 -1.978) 3.130 4.961 ( 0.713 -0.783 -3.501) 3.658 4.961 ( 0.713 0.783 -3.501) 3.658 5.212 ( -0.196 -0.540 2.397) 2.465 5.212 ( -0.196 0.540 2.397) 2.465 5.312 ( 0.196 -1.327 -1.236) 1.824 5.312 ( 0.196 1.327 -1.236) 1.824 9.005 ( -0.848 -1.307 2.738) 3.150 9.005 ( -0.848 1.307 2.738) 3.150 9.308 ( -0.474 -0.836 2.398) 2.583 9.308 ( -0.474 0.836 2.398) 2.583 9.329 ( -0.860 -0.871 3.068) 3.304 9.329 ( -0.860 0.871 3.068) 3.304 9.712 ( 0.659 -1.560 0.247) 1.712 9.712 ( 0.659 1.560 0.247) 1.712 9.906 ( 0.018 -1.115 1.838) 2.150 9.906 ( 0.018 1.115 1.838) 2.150 10.141 ( 0.112 -3.273 -0.613) 3.332 10.141 ( 0.112 3.273 -0.613) 3.332 10.727 ( 0.678 -3.070 -1.873) 3.659 10.727 ( 0.678 3.070 -1.873) 3.659 10.787 ( -1.318 -0.761 -0.657) 1.658 10.787 ( -1.318 0.761 -0.657) 1.658 14.544 ( -0.123 -0.113 0.242) 0.295 14.544 ( -0.123 0.113 0.242) 0.295 14.603 ( 0.037 -0.252 -0.236) 0.348 14.603 ( 0.037 0.252 -0.236) 0.348======================= Grid point 57 (31/87) =======================q-point: (-0.43 -0.50 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.704 ( -5.574 -5.348 4.411) 8.895 0.704 ( -5.574 5.348 4.411) 8.895 0.778 ( -2.947 -3.505 2.031) 5.010 0.778 ( -2.947 3.505 2.031) 5.010 0.941 ( -1.838 -1.090 6.230) 6.586 0.941 ( -1.838 1.090 6.230) 6.586 1.104 ( 3.611 -4.326 7.289) 9.213 1.104 ( 3.611 4.326 7.289) 9.213 1.213 ( -2.755 -0.753 6.649) 7.236 1.213 ( -2.755 0.753 6.649) 7.236 1.325 ( 1.055 -4.901 1.724) 5.301 1.325 ( 1.055 4.901 1.724) 5.301 1.583 ( -8.779 -8.234 -1.711) 12.158 1.583 ( -8.779 8.234 -1.711) 12.158 1.764 ( 5.319 -3.652 -3.249) 7.224 1.764 ( 5.319 3.652 -3.249) 7.224 1.834 ( -0.401 -3.143 0.585) 3.222 1.834 ( -0.401 3.143 0.585) 3.222 2.055 ( 3.578 -3.520 -0.745) 5.074 2.055 ( 3.578 3.520 -0.745) 5.074 2.544 ( 0.031 -0.186 0.161) 0.248 2.544 ( 0.031 0.186 0.161) 0.248 2.788 ( 0.540 -2.712 -4.266) 5.084 2.788 ( 0.540 2.712 -4.266) 5.084 3.463 ( 2.459 -3.055 -8.230) 9.116 3.463 ( 2.459 3.055 -8.230) 9.116 3.866 ( 0.440 -0.542 -0.294) 0.757 3.866 ( 0.440 0.542 -0.294) 0.757 4.073 ( -3.250 -2.097 9.254) 10.030 4.073 ( -3.250 2.097 9.254) 10.030 4.494 ( -0.508 -1.009 1.905) 2.215 4.494 ( -0.508 1.009 1.905) 2.215 4.696 ( -0.279 -2.319 -2.290) 3.271 4.696 ( -0.279 2.319 -2.290) 3.271 4.968 ( 2.331 -0.530 -3.637) 4.352 4.968 ( 2.331 0.530 -3.637) 4.352 5.227 ( 0.079 -0.816 2.721) 2.842 5.227 ( 0.079 0.816 2.721) 2.842 5.309 ( 0.224 -1.088 -0.934) 1.452 5.309 ( 0.224 1.088 -0.934) 1.452 9.012 ( -0.358 -0.867 3.031) 3.172 9.012 ( -0.358 0.867 3.031) 3.172 9.306 ( -0.383 -0.866 -0.573) 1.106 9.306 ( -0.383 0.866 -0.573) 1.106 9.343 ( -0.969 -1.177 6.695) 6.866 9.343 ( -0.969 1.177 6.695) 6.866 9.720 ( -0.087 -1.225 0.447) 1.307 9.720 ( -0.087 1.225 0.447) 1.307 9.916 ( -0.368 -0.714 2.450) 2.579 9.916 ( -0.368 0.714 2.450) 2.579 10.159 ( 1.913 -3.755 0.361) 4.230 10.159 ( 1.913 3.755 0.361) 4.230 10.694 ( -2.221 -2.936 -3.633) 5.172 10.694 ( -2.221 2.936 -3.633) 5.172 10.782 ( 1.062 -0.887 -0.397) 1.439 10.782 ( 1.062 0.887 -0.397) 1.439 14.544 ( -0.030 -0.155 0.243) 0.290 14.544 ( -0.030 0.155 0.243) 0.290 14.603 ( 0.127 -0.224 -0.232) 0.347 14.603 ( 0.127 0.224 -0.232) 0.347======================= Grid point 59 (32/87) =======================q-point: (-0.29 -0.50 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.627 ( -3.950 -3.740 1.598) 5.670 0.627 ( -3.950 3.740 1.598) 5.670 0.719 ( -4.183 -4.974 2.801) 7.077 0.719 ( -4.183 4.974 2.801) 7.077 0.946 ( -1.720 -1.560 4.056) 4.674 0.946 ( -1.720 1.560 4.056) 4.674 1.167 ( -6.630 -2.737 10.548) 12.756 1.167 ( -6.630 2.737 10.548) 12.756 1.199 ( 1.270 -3.892 2.892) 5.012 1.199 ( 1.270 3.892 2.892) 5.012 1.369 ( -0.345 -7.749 1.044) 7.827 1.369 ( -0.345 7.749 1.044) 7.827 1.452 ( -2.123 -7.106 3.911) 8.384 1.452 ( -2.123 7.106 3.911) 8.384 1.801 ( -0.026 -1.096 -1.880) 2.176 1.801 ( -0.026 1.096 -1.880) 2.176 1.838 ( 1.382 -1.898 -0.885) 2.509 1.838 ( 1.382 1.898 -0.885) 2.509 2.133 ( 4.907 -4.376 -2.371) 6.989 2.133 ( 4.907 4.376 -2.371) 6.989 2.530 ( -1.534 -0.774 0.222) 1.733 2.530 ( -1.534 0.774 0.222) 1.733 2.776 ( 1.325 -2.705 -4.923) 5.771 2.776 ( 1.325 2.705 -4.923) 5.771 3.452 ( 1.854 -2.680 -8.134) 8.762 3.452 ( 1.854 2.680 -8.134) 8.762 3.874 ( 0.482 -0.799 -0.148) 0.945 3.874 ( 0.482 0.799 -0.148) 0.945 4.062 ( -3.807 -1.671 8.825) 9.755 4.062 ( -3.807 1.671 8.825) 9.755 4.492 ( -0.966 -1.093 1.962) 2.445 4.492 ( -0.966 1.093 1.962) 2.445 4.675 ( -0.434 -1.719 -1.881) 2.585 4.675 ( -0.434 1.719 -1.881) 2.585 5.001 ( 3.554 -1.546 -4.099) 5.642 5.001 ( 3.554 1.546 -4.099) 5.642 5.248 ( 0.375 -1.148 2.295) 2.594 5.248 ( 0.375 1.148 2.295) 2.594 5.307 ( -0.174 -1.503 -0.112) 1.517 5.307 ( -0.174 1.503 -0.112) 1.517 9.027 ( -0.204 -0.500 3.044) 3.092 9.027 ( -0.204 0.500 3.044) 3.092 9.293 ( -0.326 -0.566 -0.897) 1.110 9.293 ( -0.326 0.566 -0.897) 1.110 9.371 ( -1.311 -2.425 8.545) 8.978 9.371 ( -1.311 2.425 8.545) 8.978 9.713 ( -0.833 -0.933 0.433) 1.323 9.713 ( -0.833 0.933 0.433) 1.323 9.923 ( -0.663 -0.680 2.818) 2.974 9.923 ( -0.663 0.680 2.818) 2.974 10.221 ( 3.967 -4.199 1.822) 6.057 10.221 ( 3.967 4.199 1.822) 6.057 10.607 ( -4.104 -1.726 -4.453) 6.297 10.607 ( -4.104 1.726 -4.453) 6.297 10.810 ( 2.003 -0.563 -0.651) 2.180 10.810 ( 2.003 0.563 -0.651) 2.180 14.545 ( 0.015 -0.181 0.235) 0.297 14.545 ( 0.015 0.181 0.235) 0.297 14.605 ( 0.182 -0.150 -0.230) 0.329 14.605 ( 0.182 0.150 -0.230) 0.329======================= Grid point 61 (33/87) =======================q-point: (-0.14 -0.50 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.585 ( -1.772 -2.404 2.691) 4.020 0.585 ( -1.772 2.404 2.691) 4.020 0.660 ( -4.338 -5.128 3.386) 7.522 0.660 ( -4.338 5.128 3.386) 7.522 0.932 ( -0.415 -2.048 0.305) 2.111 0.932 ( -0.415 2.048 0.305) 2.111 1.090 ( -5.297 -4.574 6.977) 9.882 1.090 ( -5.297 4.574 6.977) 9.882 1.225 ( -2.461 -3.535 7.384) 8.548 1.225 ( -2.461 3.535 7.384) 8.548 1.332 ( -3.542 -10.576 5.987) 12.659 1.332 ( -3.542 10.576 5.987) 12.659 1.513 ( 2.788 -3.382 1.755) 4.721 1.513 ( 2.788 3.382 1.755) 4.721 1.775 ( -1.288 -1.832 -0.307) 2.261 1.775 ( -1.288 1.832 -0.307) 2.261 1.859 ( 1.414 -1.311 -0.827) 2.098 1.859 ( 1.414 1.311 -0.827) 2.098 2.188 ( 2.928 -3.448 -4.631) 6.474 2.188 ( 2.928 3.448 -4.631) 6.474 2.498 ( -1.602 -1.200 -0.358) 2.034 2.498 ( -1.602 1.200 -0.358) 2.034 2.779 ( 2.258 -3.013 -4.781) 6.085 2.779 ( 2.258 3.013 -4.781) 6.085 3.434 ( 1.760 -1.846 -8.467) 8.842 3.434 ( 1.760 1.846 -8.467) 8.842 3.879 ( 0.081 -0.778 -0.252) 0.822 3.879 ( 0.081 0.778 -0.252) 0.822 4.044 ( -3.759 -1.353 8.815) 9.678 4.044 ( -3.759 1.353 8.815) 9.678 4.483 ( -1.044 -0.992 1.393) 2.004 4.483 ( -1.044 0.992 1.393) 2.004 4.663 ( 0.217 -1.094 -0.715) 1.325 4.663 ( 0.217 1.094 -0.715) 1.325 5.041 ( 3.337 -1.990 -5.070) 6.388 5.041 ( 3.337 1.990 -5.070) 6.388 5.270 ( 1.151 -1.017 -0.173) 1.546 5.270 ( 1.151 1.017 -0.173) 1.546 5.295 ( -1.906 -3.086 2.122) 4.202 5.295 ( -1.906 3.086 2.122) 4.202 9.038 ( -0.586 -0.217 2.631) 2.704 9.038 ( -0.586 0.217 2.631) 2.704 9.286 ( 0.087 -0.622 -0.515) 0.812 9.286 ( 0.087 0.622 -0.515) 0.812 9.391 ( -2.848 -3.568 9.506) 10.546 9.391 ( -2.848 3.568 9.506) 10.546 9.695 ( -1.173 -1.036 0.193) 1.577 9.695 ( -1.173 1.036 0.193) 1.577 9.923 ( -1.113 -1.250 2.158) 2.731 9.923 ( -1.113 1.250 2.158) 2.731 10.317 ( 3.521 -1.574 1.065) 4.001 10.317 ( 3.521 1.574 1.065) 4.001 10.504 ( -2.844 -1.477 -1.741) 3.647 10.504 ( -2.844 1.477 -1.741) 3.647 10.845 ( 2.023 -0.233 -0.877) 2.217 10.845 ( 2.023 0.233 -0.877) 2.217 14.547 ( -0.011 -0.177 0.234) 0.294 14.547 ( -0.011 0.177 0.234) 0.294 14.607 ( 0.161 -0.084 -0.229) 0.292 14.607 ( 0.161 0.084 -0.229) 0.292======================= Grid point 70 (34/87) =======================q-point: ( 0.00 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 87Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.446 ( 2.863 0.000 9.022) 9.466 0.488 ( 3.389 0.000 6.125) 7.000 0.718 ( -2.861 0.000 4.507) 5.338 0.858 ( 2.982 0.000 1.249) 3.233 0.986 ( -0.095 0.000 4.854) 4.855 0.994 ( -0.235 0.000 -0.479) 0.534 1.050 ( 0.479 0.000 -0.697) 0.845 1.051 ( -2.308 0.000 -0.367) 2.337 1.187 ( 0.688 0.000 0.726) 1.000 1.329 ( -3.635 0.000 -0.372) 3.654 1.560 ( -3.000 0.000 6.323) 6.998 1.587 ( 2.537 0.000 -1.921) 3.182 1.651 ( 1.456 0.000 -2.401) 2.808 1.719 ( -4.607 0.000 10.336) 11.316 1.745 ( 1.566 0.000 -2.467) 2.922 1.801 ( -2.033 0.000 11.585) 11.762 1.906 ( -3.330 0.000 2.464) 4.143 1.948 ( -0.217 0.000 2.623) 2.632 2.057 ( 1.283 0.000 0.745) 1.484 2.120 ( -2.735 0.000 2.797) 3.912 2.420 ( -1.867 0.000 1.526) 2.411 2.482 ( -2.729 0.000 2.419) 3.647 2.665 ( 0.444 0.000 1.403) 1.471 2.789 ( 1.925 0.000 -2.419) 3.092 3.222 ( 4.138 0.000 -11.718) 12.427 3.229 ( 1.833 0.000 -8.232) 8.433 3.810 ( 1.882 0.000 -4.587) 4.958 3.849 ( 0.835 0.000 -4.309) 4.389 4.178 ( -2.425 0.000 7.608) 7.985 4.260 ( -1.329 0.000 6.279) 6.418 4.418 ( 0.640 0.000 -1.622) 1.743 4.504 ( -1.137 0.000 -1.294) 1.722 4.653 ( 1.122 0.000 0.937) 1.462 4.717 ( 0.135 0.000 1.178) 1.186 4.868 ( 0.488 0.000 -2.331) 2.381 4.995 ( 1.312 0.000 -3.455) 3.696 5.194 ( 0.617 0.000 -2.723) 2.792 5.245 ( -0.328 0.000 0.945) 1.001 5.268 ( 1.650 0.000 -1.403) 2.165 5.400 ( -3.399 0.000 -1.721) 3.810 9.049 ( -1.712 0.000 1.281) 2.138 9.109 ( -0.569 0.000 1.737) 1.828 9.248 ( 1.068 0.000 -1.517) 1.856 9.289 ( 2.198 0.000 -2.232) 3.132 9.484 ( -3.205 0.000 8.398) 8.989 9.639 ( -5.577 0.000 1.835) 5.871 9.649 ( -1.258 0.000 0.470) 1.343 9.703 ( 0.361 0.000 -0.307) 0.474 9.946 ( -0.743 0.000 0.858) 1.135 10.013 ( -0.143 0.000 -0.652) 0.667 10.040 ( -8.241 0.000 0.057) 8.242 10.300 ( -0.956 0.000 -3.165) 3.307 10.578 ( 1.198 0.000 2.309) 2.602 10.791 ( -0.397 0.000 -0.194) 0.442 10.841 ( 0.449 0.000 -0.907) 1.012 10.857 ( 4.131 0.000 -1.678) 4.459 14.550 ( -0.091 0.000 0.430) 0.440 14.560 ( -0.191 0.000 0.453) 0.491 14.599 ( 0.091 0.000 -0.499) 0.507 14.601 ( 0.179 0.000 -0.395) 0.434======================= Grid point 71 (35/87) =======================q-point: ( 0.14 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 87Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.605 ( 7.408 0.000 2.639) 7.864 0.630 ( 6.214 0.000 6.618) 9.078 0.718 ( 0.850 0.000 3.396) 3.500 0.863 ( 0.425 0.000 -3.225) 3.253 0.992 ( 0.466 0.000 -3.806) 3.834 1.014 ( -1.818 0.000 2.678) 3.237 1.052 ( 2.369 0.000 4.158) 4.785 1.099 ( 3.773 0.000 4.361) 5.767 1.191 ( -0.160 0.000 -0.401) 0.431 1.264 ( -3.400 0.000 1.023) 3.551 1.528 ( -4.116 0.000 7.810) 8.828 1.555 ( -4.436 0.000 -0.309) 4.447 1.659 ( 1.031 0.000 -2.846) 3.027 1.684 ( -5.782 0.000 9.406) 11.041 1.784 ( -6.986 0.000 11.954) 13.845 1.791 ( 4.076 0.000 -1.502) 4.344 1.913 ( 2.466 0.000 -0.589) 2.535 1.950 ( -1.610 0.000 3.184) 3.568 2.009 ( -6.352 0.000 2.461) 6.812 2.106 ( -0.296 0.000 -1.062) 1.103 2.425 ( 1.397 0.000 1.630) 2.147 2.484 ( 0.627 0.000 4.483) 4.527 2.678 ( 0.292 0.000 0.459) 0.544 2.794 ( 0.144 0.000 -2.306) 2.311 3.211 ( 2.909 0.000 -9.284) 9.730 3.257 ( 5.766 0.000 -10.043) 11.580 3.813 ( 1.478 0.000 -4.648) 4.878 3.839 ( 0.808 0.000 -3.727) 3.814 4.190 ( -1.863 0.000 8.608) 8.808 4.283 ( -0.627 0.000 6.575) 6.605 4.427 ( 1.541 0.000 -2.158) 2.652 4.475 ( -0.633 0.000 -2.131) 2.223 4.673 ( -0.021 0.000 0.979) 0.979 4.720 ( 0.263 0.000 -0.616) 0.670 4.860 ( 0.162 0.000 -2.155) 2.161 4.985 ( -0.310 0.000 -2.624) 2.642 5.197 ( 1.320 0.000 -2.474) 2.804 5.251 ( 0.189 0.000 1.376) 1.389 5.290 ( 1.448 0.000 -1.404) 2.017 5.326 ( -3.538 0.000 0.438) 3.565 9.028 ( -1.465 0.000 1.913) 2.410 9.106 ( -0.812 0.000 1.571) 1.769 9.259 ( 0.953 0.000 -1.481) 1.762 9.315 ( 1.737 0.000 -2.169) 2.779 9.478 ( -2.880 0.000 8.561) 9.032 9.526 ( -7.198 0.000 5.661) 9.158 9.637 ( -0.196 0.000 0.236) 0.306 9.716 ( 0.912 0.000 0.407) 0.999 9.926 ( -1.692 0.000 2.978) 3.425 9.977 ( -0.895 0.000 1.469) 1.720 10.011 ( 0.451 0.000 -0.781) 0.901 10.258 ( -1.231 0.000 -2.844) 3.099 10.610 ( 0.851 0.000 1.667) 1.872 10.777 ( -0.870 0.000 -0.330) 0.931 10.828 ( -0.964 0.000 -1.136) 1.490 10.864 ( -0.678 0.000 -2.961) 3.038 14.551 ( -0.132 0.000 0.481) 0.498 14.558 ( -0.301 0.000 0.407) 0.507 14.596 ( -0.080 0.000 -0.518) 0.524 14.603 ( 0.194 0.000 -0.375) 0.422======================= Grid point 72 (36/87) =======================q-point: ( 0.29 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 87Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.679 ( 0.665 0.000 -3.299) 3.366 0.763 ( 4.358 0.000 4.853) 6.523 0.812 ( 6.107 0.000 1.248) 6.234 0.895 ( 3.695 0.000 0.013) 3.695 0.957 ( -1.992 0.000 0.230) 2.005 1.011 ( -0.203 0.000 -0.921) 0.943 1.129 ( 3.991 0.000 -1.315) 4.202 1.175 ( -1.041 0.000 -0.576) 1.190 1.198 ( -1.252 0.000 5.982) 6.112 1.238 ( 4.479 0.000 2.067) 4.933 1.446 ( -6.713 0.000 0.910) 6.774 1.525 ( -0.585 0.000 5.628) 5.659 1.598 ( -8.143 0.000 4.937) 9.523 1.664 ( 1.816 0.000 -3.404) 3.858 1.747 ( -6.395 0.000 18.722) 19.784 1.846 ( -0.035 0.000 0.092) 0.099 1.895 ( -4.700 0.000 2.231) 5.203 1.928 ( -1.374 0.000 -0.676) 1.531 1.945 ( -0.389 0.000 3.877) 3.896 2.090 ( -0.359 0.000 -0.767) 0.847 2.479 ( 2.818 0.000 1.599) 3.240 2.541 ( 1.685 0.000 4.526) 4.829 2.682 ( 0.164 0.000 -0.404) 0.436 2.768 ( -1.324 0.000 -2.071) 2.458 3.216 ( 3.439 0.000 -8.845) 9.490 3.306 ( 5.828 0.000 -10.464) 11.977 3.809 ( 1.163 0.000 -4.667) 4.810 3.834 ( 1.147 0.000 -3.459) 3.644 4.209 ( -2.087 0.000 8.980) 9.219 4.311 ( -0.870 0.000 6.477) 6.535 4.446 ( 1.370 0.000 -2.066) 2.479 4.461 ( 1.053 0.000 -2.625) 2.829 4.660 ( -1.524 0.000 0.679) 1.669 4.727 ( 0.930 0.000 -1.431) 1.706 4.850 ( 0.386 0.000 -2.243) 2.276 4.956 ( -1.146 0.000 -1.782) 2.118 5.209 ( 1.363 0.000 -2.079) 2.486 5.266 ( -0.121 0.000 1.642) 1.646 5.282 ( -1.142 0.000 1.589) 1.957 5.302 ( 0.703 0.000 -1.506) 1.662 9.022 ( -0.618 0.000 2.495) 2.570 9.099 ( -0.944 0.000 1.607) 1.863 9.263 ( 0.485 0.000 -1.665) 1.734 9.324 ( 0.644 0.000 -2.172) 2.266 9.460 ( -4.048 0.000 7.220) 8.277 9.490 ( -1.812 0.000 9.039) 9.219 9.644 ( 0.766 0.000 0.055) 0.768 9.737 ( 0.755 0.000 0.801) 1.100 9.932 ( -0.320 0.000 4.396) 4.407 9.976 ( -0.450 0.000 1.314) 1.389 10.022 ( 1.150 0.000 -0.805) 1.403 10.227 ( -0.284 0.000 -1.703) 1.727 10.628 ( 0.225 0.000 0.742) 0.776 10.758 ( -0.788 0.000 -0.222) 0.819 10.797 ( -1.215 0.000 -1.382) 1.840 10.818 ( -1.905 0.000 -3.301) 3.812 14.550 ( -0.240 0.000 0.480) 0.536 14.555 ( -0.238 0.000 0.415) 0.479 14.591 ( -0.026 0.000 -0.476) 0.476 14.603 ( 0.116 0.000 -0.407) 0.423======================= Grid point 73 (37/87) =======================q-point: (-0.57 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 87Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.644 ( -1.294 0.000 -3.485) 3.718 0.872 ( 1.137 0.000 0.460) 1.226 0.889 ( 2.875 0.000 1.525) 3.254 0.931 ( -0.386 0.000 -0.051) 0.389 0.947 ( 0.628 0.000 0.193) 0.657 0.986 ( -1.217 0.000 -0.733) 1.421 1.133 ( -1.465 0.000 1.350) 1.993 1.172 ( 1.709 0.000 -0.630) 1.821 1.230 ( 3.123 0.000 -1.940) 3.677 1.334 ( -5.685 0.000 3.472) 6.661 1.378 ( 4.730 0.000 0.855) 4.807 1.449 ( -6.641 0.000 3.309) 7.419 1.577 ( 0.390 0.000 7.822) 7.832 1.675 ( -0.084 0.000 -2.344) 2.345 1.753 ( -3.871 0.000 -1.655) 4.210 1.766 ( -5.231 0.000 20.426) 21.085 1.898 ( -0.849 0.000 -1.540) 1.758 1.919 ( 1.706 0.000 2.117) 2.718 1.953 ( -1.792 0.000 6.391) 6.638 2.092 ( 0.456 0.000 1.093) 1.184 2.538 ( 1.977 0.000 1.466) 2.461 2.586 ( 0.165 0.000 3.536) 3.540 2.683 ( 0.420 0.000 -0.665) 0.787 2.724 ( -1.736 0.000 -2.220) 2.819 3.225 ( 3.142 0.000 -8.685) 9.236 3.338 ( 4.475 0.000 -10.905) 11.788 3.800 ( 1.098 0.000 -4.752) 4.878 3.841 ( 1.787 0.000 -3.550) 3.975 4.222 ( -2.434 0.000 8.669) 9.004 4.326 ( -1.725 0.000 5.949) 6.194 4.448 ( 0.490 0.000 -1.636) 1.708 4.484 ( 2.395 0.000 -2.201) 3.253 4.636 ( -1.281 0.000 0.369) 1.333 4.729 ( 0.057 0.000 -1.233) 1.235 4.850 ( 1.420 0.000 -2.866) 3.198 4.924 ( -1.044 0.000 -1.195) 1.587 5.220 ( 1.099 0.000 -1.754) 2.070 5.257 ( -0.787 0.000 1.383) 1.591 5.296 ( -0.206 0.000 -1.747) 1.759 5.310 ( 1.650 0.000 2.520) 3.012 9.033 ( 0.075 0.000 2.666) 2.667 9.093 ( -0.702 0.000 1.919) 2.044 9.257 ( 0.111 0.000 -1.889) 1.892 9.313 ( -0.273 0.000 -2.323) 2.339 9.449 ( -2.307 0.000 7.611) 7.953 9.528 ( -0.150 0.000 9.038) 9.039 9.662 ( 0.982 0.000 0.055) 0.983 9.749 ( -0.030 0.000 0.587) 0.588 9.966 ( 0.195 0.000 5.152) 5.156 9.975 ( -0.060 0.000 2.408) 2.409 10.039 ( 1.010 0.000 -0.826) 1.305 10.230 ( 1.373 0.000 -0.488) 1.457 10.628 ( -0.455 0.000 0.150) 0.479 10.747 ( -0.270 0.000 -0.062) 0.277 10.752 ( -2.726 0.000 -4.116) 4.937 10.775 ( -0.077 0.000 -1.317) 1.320 14.548 ( -0.261 0.000 0.425) 0.498 14.554 ( -0.113 0.000 0.469) 0.482 14.589 ( 0.133 0.000 -0.424) 0.445 14.602 ( 0.087 0.000 -0.447) 0.455======================= Grid point 74 (38/87) =======================q-point: (-0.43 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 87Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.593 ( -2.356 0.000 -1.616) 2.857 0.760 ( -8.087 0.000 -2.885) 8.587 0.899 ( -2.900 0.000 0.462) 2.936 0.902 ( -4.687 0.000 -1.933) 5.070 0.977 ( 1.756 0.000 0.456) 1.815 1.014 ( 4.835 0.000 0.999) 4.937 1.108 ( -2.871 0.000 -0.181) 2.877 1.172 ( -3.191 0.000 1.910) 3.719 1.257 ( -1.110 0.000 -1.635) 1.976 1.296 ( -4.181 0.000 8.012) 9.038 1.341 ( 4.487 0.000 3.199) 5.510 1.536 ( 6.136 0.000 -1.753) 6.382 1.600 ( -4.334 0.000 -1.595) 4.618 1.624 ( 0.037 0.000 5.171) 5.171 1.738 ( 2.420 0.000 -4.688) 5.276 1.793 ( -4.910 0.000 19.682) 20.285 1.873 ( -2.220 0.000 2.587) 3.409 1.958 ( 0.951 0.000 1.945) 2.165 1.975 ( 0.220 0.000 5.181) 5.186 2.115 ( 0.619 0.000 2.651) 2.722 2.556 ( -1.145 0.000 1.005) 1.524 2.599 ( -0.745 0.000 2.982) 3.074 2.677 ( -1.916 0.000 0.259) 1.934 2.695 ( 1.697 0.000 -3.031) 3.474 3.226 ( 2.840 0.000 -8.685) 9.138 3.337 ( 2.806 0.000 -11.330) 11.672 3.793 ( 1.388 0.000 -4.944) 5.135 3.854 ( 2.015 0.000 -3.893) 4.384 4.224 ( -2.830 0.000 7.830) 8.326 4.319 ( -2.619 0.000 4.996) 5.641 4.445 ( -0.004 0.000 -0.979) 0.979 4.515 ( 1.852 0.000 -1.332) 2.281 4.619 ( -0.757 0.000 0.494) 0.904 4.715 ( -0.865 0.000 -0.307) 0.918 4.865 ( 1.906 0.000 -3.411) 3.907 4.909 ( 0.702 0.000 -1.479) 1.637 5.228 ( 0.869 0.000 -1.591) 1.813 5.256 ( -0.327 0.000 1.111) 1.158 5.274 ( -0.832 0.000 -2.158) 2.313 5.368 ( 2.596 0.000 2.561) 3.646 9.054 ( 0.276 0.000 2.348) 2.364 9.097 ( -0.369 0.000 2.211) 2.241 9.246 ( 0.129 0.000 -2.121) 2.125 9.289 ( -0.541 0.000 -2.329) 2.391 9.460 ( -1.775 0.000 8.088) 8.281 9.593 ( 1.426 0.000 7.188) 7.328 9.678 ( 0.622 0.000 0.001) 0.622 9.744 ( -0.780 0.000 0.303) 0.837 9.965 ( -0.824 0.000 1.178) 1.437 10.044 ( 0.079 0.000 -0.826) 0.830 10.059 ( 3.913 0.000 9.645) 10.408 10.268 ( 2.558 0.000 -0.282) 2.574 10.613 ( -1.122 0.000 -0.814) 1.386 10.661 ( -3.996 0.000 -3.753) 5.481 10.751 ( 0.693 0.000 0.233) 0.731 10.778 ( 1.063 0.000 -1.136) 1.555 14.547 ( -0.140 0.000 0.425) 0.448 14.556 ( -0.067 0.000 0.450) 0.455 14.591 ( 0.276 0.000 -0.411) 0.495 14.601 ( 0.126 0.000 -0.457) 0.474======================= Grid point 75 (39/87) =======================q-point: (-0.29 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 87Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.535 ( -4.143 0.000 1.943) 4.577 0.583 ( -8.473 0.000 -0.996) 8.531 0.771 ( -6.637 0.000 0.566) 6.661 0.823 ( -4.073 0.000 -0.360) 4.089 1.039 ( 2.007 0.000 1.336) 2.411 1.041 ( -3.651 0.000 1.804) 4.072 1.074 ( 1.308 0.000 1.117) 1.720 1.129 ( -2.399 0.000 4.057) 4.713 1.177 ( -4.795 0.000 -0.710) 4.847 1.344 ( 1.336 0.000 6.355) 6.494 1.466 ( 5.915 0.000 -0.430) 5.930 1.541 ( 0.763 0.000 -2.578) 2.688 1.587 ( 0.565 0.000 -2.528) 2.590 1.655 ( 0.542 0.000 4.231) 4.265 1.750 ( 1.594 0.000 -4.015) 4.320 1.826 ( -5.209 0.000 17.988) 18.727 1.860 ( -1.269 0.000 6.933) 7.049 1.981 ( 0.617 0.000 1.233) 1.379 2.001 ( -0.325 0.000 1.629) 1.661 2.141 ( -0.107 0.000 3.294) 3.296 2.518 ( -3.081 0.000 1.118) 3.278 2.587 ( -2.353 0.000 2.122) 3.169 2.651 ( -0.879 0.000 0.324) 0.937 2.719 ( 2.372 0.000 -2.035) 3.126 3.225 ( 2.908 0.000 -9.177) 9.627 3.307 ( 1.682 0.000 -11.343) 11.467 3.793 ( 1.870 0.000 -4.949) 5.291 3.863 ( 1.596 0.000 -4.375) 4.657 4.212 ( -3.195 0.000 6.891) 7.596 4.291 ( -3.317 0.000 4.312) 5.441 4.435 ( -0.434 0.000 -0.681) 0.808 4.533 ( 0.602 0.000 -0.601) 0.851 4.614 ( -0.070 0.000 0.821) 0.824 4.699 ( -0.866 0.000 1.248) 1.519 4.871 ( 0.829 0.000 -2.542) 2.674 4.937 ( 3.334 0.000 -3.338) 4.717 5.233 ( 0.364 0.000 -1.576) 1.618 5.243 ( -0.352 0.000 -2.523) 2.547 5.255 ( -0.436 0.000 0.789) 0.901 5.430 ( 2.480 0.000 0.664) 2.567 9.070 ( -0.044 0.000 1.714) 1.715 9.103 ( -0.455 0.000 2.154) 2.201 9.238 ( 0.550 0.000 -2.211) 2.278 9.269 ( 0.047 0.000 -2.155) 2.155 9.478 ( -1.957 0.000 8.502) 8.724 9.658 ( 1.490 0.000 3.458) 3.765 9.683 ( -0.142 0.000 -0.010) 0.142 9.726 ( -1.121 0.000 0.019) 1.121 9.956 ( -0.718 0.000 0.826) 1.094 10.035 ( -0.419 0.000 -0.684) 0.802 10.250 ( 9.078 0.000 8.465) 12.413 10.310 ( 2.103 0.000 -1.240) 2.441 10.521 ( -5.473 0.000 -4.380) 7.010 10.619 ( -0.544 0.000 3.386) 3.430 10.773 ( 1.098 0.000 0.721) 1.314 10.797 ( 1.714 0.000 -1.309) 2.156 14.548 ( -0.069 0.000 0.410) 0.416 14.557 ( -0.042 0.000 0.445) 0.447 14.594 ( 0.323 0.000 -0.434) 0.541 14.601 ( 0.178 0.000 -0.440) 0.475======================= Grid point 76 (40/87) =======================q-point: (-0.14 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 87Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.443 ( -7.337 0.000 7.696) 10.633 0.462 ( -3.971 0.000 2.936) 4.939 0.753 ( 2.959 0.000 5.155) 5.944 0.757 ( -3.349 0.000 1.898) 3.850 0.998 ( -2.138 0.000 1.515) 2.620 1.018 ( -2.848 0.000 2.378) 3.711 1.086 ( -3.646 0.000 -0.843) 3.742 1.099 ( -2.021 0.000 -0.316) 2.046 1.146 ( 2.713 0.000 2.035) 3.392 1.381 ( -0.823 0.000 0.881) 1.206 1.526 ( 4.475 0.000 -4.402) 6.277 1.564 ( -1.794 0.000 3.244) 3.707 1.611 ( 4.266 0.000 -0.416) 4.286 1.701 ( 0.450 0.000 6.593) 6.609 1.747 ( 0.560 0.000 -3.102) 3.152 1.804 ( -6.851 0.000 14.701) 16.219 1.907 ( -0.161 0.000 8.231) 8.233 1.975 ( -2.619 0.000 -0.410) 2.651 2.009 ( 1.913 0.000 1.050) 2.182 2.146 ( -1.670 0.000 3.383) 3.773 2.464 ( -3.314 0.000 1.314) 3.565 2.538 ( -3.776 0.000 1.548) 4.081 2.649 ( 0.078 0.000 1.347) 1.349 2.756 ( 2.738 0.000 -2.000) 3.391 3.221 ( 3.124 0.000 -10.240) 10.706 3.264 ( 1.230 0.000 -10.505) 10.577 3.801 ( 2.123 0.000 -4.724) 5.180 3.860 ( 1.050 0.000 -4.616) 4.734 4.190 ( -3.386 0.000 6.497) 7.327 4.260 ( -2.697 0.000 5.289) 5.937 4.423 ( -0.192 0.000 -0.973) 0.992 4.528 ( -0.637 0.000 -0.588) 0.867 4.627 ( 0.779 0.000 1.070) 1.324 4.702 ( 0.018 0.000 2.103) 2.103 4.870 ( 0.786 0.000 -2.430) 2.554 4.977 ( 2.984 0.000 -3.855) 4.875 5.209 ( -0.392 0.000 -2.713) 2.741 5.249 ( 1.333 0.000 -1.518) 2.020 5.249 ( -0.601 0.000 0.672) 0.901 5.451 ( -0.142 0.000 -2.160) 2.165 9.069 ( -1.001 0.000 1.156) 1.529 9.107 ( -0.507 0.000 1.982) 2.046 9.240 ( 0.926 0.000 -1.886) 2.101 9.268 ( 1.330 0.000 -2.166) 2.542 9.488 ( -2.697 0.000 8.539) 8.955 9.672 ( -1.167 0.000 0.375) 1.226 9.684 ( -0.481 0.000 1.116) 1.215 9.707 ( -0.538 0.000 -0.470) 0.715 9.950 ( -0.428 0.000 0.642) 0.772 10.023 ( -0.421 0.000 -0.589) 0.724 10.254 ( -9.010 0.000 -7.019) 11.422 10.324 ( 0.476 0.000 -2.495) 2.540 10.527 ( 3.207 0.000 3.400) 4.674 10.710 ( 7.992 0.000 5.685) 9.808 10.791 ( 0.386 0.000 0.311) 0.496 10.824 ( 1.742 0.000 -1.016) 2.016 14.549 ( -0.075 0.000 0.398) 0.405 14.559 ( -0.076 0.000 0.467) 0.473 14.597 ( 0.313 0.000 -0.432) 0.533 14.602 ( 0.130 0.000 -0.455) 0.473======================= Grid point 77 (41/87) =======================q-point: ( 0.00 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.492 ( -1.002 5.847 7.438) 9.514 0.580 ( 5.058 6.076 2.032) 8.163 0.699 ( 0.405 -0.974 2.493) 2.707 0.834 ( 0.649 -5.237 -0.505) 5.301 0.921 ( 0.905 -1.888 1.500) 2.575 0.982 ( 0.508 -2.528 0.201) 2.586 1.050 ( -0.639 4.120 3.367) 5.359 1.144 ( -1.407 4.613 0.261) 4.830 1.181 ( -0.090 -0.737 0.543) 0.919 1.357 ( -1.570 0.915 -2.859) 3.387 1.471 ( 0.473 -4.913 3.727) 6.185 1.567 ( -0.137 -2.812 0.231) 2.825 1.664 ( -2.218 0.178 -0.000) 2.225 1.684 ( -5.022 -1.784 10.976) 12.202 1.792 ( -3.666 1.840 8.385) 9.335 1.811 ( -0.038 1.588 5.242) 5.477 1.891 ( -1.105 -0.352 3.677) 3.855 1.929 ( 0.414 -1.287 3.359) 3.621 2.079 ( 2.171 1.082 -1.129) 2.676 2.116 ( -3.403 -0.322 0.327) 3.434 2.432 ( -1.842 1.048 1.455) 2.571 2.475 ( -2.517 -0.709 2.060) 3.329 2.689 ( 0.930 2.149 0.755) 2.460 2.776 ( 2.130 -1.278 -1.699) 3.009 3.218 ( 3.548 -0.295 -11.388) 11.932 3.223 ( 2.362 -0.480 -8.671) 9.000 3.817 ( 1.710 0.571 -4.628) 4.967 3.844 ( 0.974 -0.490 -4.399) 4.532 4.188 ( -2.018 0.982 7.457) 7.787 4.246 ( -1.310 -1.245 6.576) 6.820 4.439 ( 0.115 1.686 -1.736) 2.423 4.497 ( -1.028 -0.747 -1.339) 1.846 4.662 ( 0.813 0.852 0.993) 1.541 4.707 ( 0.103 -0.923 1.214) 1.528 4.895 ( 0.832 2.361 -3.108) 3.991 4.983 ( 1.326 -1.219 -3.611) 4.035 5.204 ( 0.668 0.994 -2.398) 2.681 5.250 ( 0.541 -0.310 -0.493) 0.795 5.271 ( 0.231 1.080 -0.155) 1.115 5.372 ( -2.891 -2.509 -0.799) 3.910 9.053 ( -1.452 0.449 1.300) 2.000 9.094 ( -0.599 -1.222 1.560) 2.070 9.256 ( 1.063 0.635 -1.490) 1.938 9.283 ( 1.873 -0.565 -1.968) 2.775 9.506 ( -3.611 2.011 8.268) 9.244 9.612 ( -5.422 -2.333 4.077) 7.174 9.658 ( -1.212 0.759 0.328) 1.467 9.696 ( -0.029 -0.686 -0.133) 0.699 9.936 ( -0.559 -0.626 1.190) 1.456 9.963 ( -3.410 -1.961 1.782) 4.319 10.122 ( -3.613 4.733 -2.715) 6.544 10.276 ( -1.337 -2.297 -3.316) 4.249 10.588 ( 1.631 1.130 2.633) 3.297 10.726 ( 2.148 -5.288 2.092) 6.079 10.842 ( 0.541 0.102 -1.050) 1.186 10.850 ( 1.731 -0.326 -1.406) 2.254 14.551 ( -0.103 0.127 0.430) 0.460 14.558 ( -0.171 -0.143 0.445) 0.498 14.600 ( 0.098 0.038 -0.487) 0.498 14.601 ( 0.170 -0.008 -0.407) 0.441======================= Grid point 78 (42/87) =======================q-point: ( 0.14 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.579 ( 5.047 1.231 4.809) 7.079 0.696 ( 4.612 3.175 2.271) 6.043 0.733 ( 1.829 0.863 1.625) 2.594 0.846 ( 2.357 -4.223 0.270) 4.843 0.950 ( -1.008 -0.018 0.014) 1.008 0.988 ( 1.442 -0.835 -0.991) 1.939 1.079 ( 1.285 -0.228 -1.011) 1.651 1.142 ( 0.479 1.867 3.713) 4.184 1.184 ( 0.769 2.427 1.632) 3.025 1.313 ( -1.737 3.321 -0.687) 3.811 1.493 ( -1.286 -3.648 6.215) 7.320 1.516 ( -4.889 -3.370 -0.041) 5.938 1.612 ( -2.286 -3.005 1.295) 3.992 1.667 ( -4.740 -2.051 11.188) 12.322 1.778 ( -3.743 2.405 9.791) 10.755 1.852 ( 1.169 2.255 1.674) 3.042 1.899 ( 0.269 -0.472 1.023) 1.159 1.935 ( -2.031 -0.459 3.447) 4.027 2.033 ( -4.782 0.785 -0.217) 4.851 2.091 ( -0.229 -1.196 -1.908) 2.263 2.434 ( 0.991 0.792 1.999) 2.367 2.473 ( 0.415 -0.935 3.801) 3.937 2.706 ( 0.611 2.513 -0.067) 2.587 2.792 ( 0.572 -0.528 -1.686) 1.857 3.212 ( 3.339 0.179 -9.392) 9.970 3.246 ( 5.319 -1.029 -9.878) 11.266 3.817 ( 1.385 0.363 -4.531) 4.752 3.836 ( 0.922 -0.340 -3.896) 4.018 4.203 ( -1.754 1.235 8.341) 8.612 4.269 ( -0.938 -1.323 6.939) 7.126 4.439 ( 1.256 0.989 -2.327) 2.823 4.472 ( -0.231 -0.338 -2.283) 2.320 4.678 ( -0.034 0.471 0.808) 0.936 4.710 ( 0.141 -0.812 -0.223) 0.853 4.886 ( 0.115 2.267 -2.578) 3.435 4.973 ( -0.205 -1.209 -2.734) 2.997 5.207 ( 0.928 0.938 -1.868) 2.287 5.255 ( 0.045 -0.047 0.687) 0.690 5.280 ( 0.624 -0.381 -0.788) 1.075 5.317 ( -2.064 -0.829 0.124) 2.228 9.036 ( -1.293 0.827 1.809) 2.372 9.090 ( -0.810 -1.360 1.533) 2.203 9.267 ( 1.008 0.725 -1.501) 1.948 9.305 ( 1.572 -0.866 -1.935) 2.639 9.489 ( -3.517 0.868 8.349) 9.101 9.520 ( -6.494 -0.533 6.497) 9.201 9.649 ( 0.097 1.176 0.287) 1.214 9.706 ( 0.863 -0.976 0.397) 1.362 9.926 ( -1.330 -0.001 2.874) 3.167 9.945 ( -0.149 -1.388 1.911) 2.366 10.074 ( -0.801 4.142 -1.498) 4.477 10.229 ( -1.421 -2.690 -2.693) 4.063 10.627 ( 1.124 1.714 1.448) 2.509 10.747 ( 0.127 -2.870 -0.027) 2.873 10.830 ( -0.933 0.145 -1.205) 1.531 10.848 ( -0.705 -0.999 -2.069) 2.403 14.552 ( -0.157 0.088 0.467) 0.500 14.557 ( -0.275 -0.103 0.412) 0.506 14.597 ( -0.041 0.112 -0.496) 0.511 14.602 ( 0.153 -0.085 -0.396) 0.433======================= Grid point 79 (43/87) =======================q-point: ( 0.29 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.680 ( 2.791 0.613 -1.717) 3.334 0.786 ( 3.712 -2.385 2.328) 4.989 0.797 ( 4.881 2.848 1.904) 5.963 0.902 ( -1.754 0.179 -0.254) 1.781 0.931 ( 3.680 -1.425 1.406) 4.189 0.987 ( -2.346 -2.647 -1.238) 3.747 1.069 ( 0.033 -1.344 -0.300) 1.377 1.175 ( 1.089 -2.868 0.146) 3.072 1.267 ( 3.068 4.416 1.789) 5.667 1.288 ( 0.947 5.437 2.259) 5.963 1.409 ( -5.713 -2.048 1.386) 6.226 1.514 ( -1.131 -0.334 7.118) 7.215 1.601 ( -1.814 -3.500 4.464) 5.956 1.631 ( -2.219 -2.475 1.909) 3.833 1.769 ( -5.120 2.844 12.676) 13.963 1.863 ( -3.911 0.596 0.027) 3.956 1.876 ( -0.608 2.034 2.082) 2.973 1.926 ( -1.657 -1.610 6.357) 6.764 1.962 ( -1.408 0.882 -1.862) 2.496 2.062 ( -1.068 -2.617 -1.551) 3.224 2.483 ( 2.437 0.394 2.075) 3.225 2.521 ( 1.530 -1.476 3.814) 4.367 2.712 ( 0.110 2.548 -0.247) 2.562 2.778 ( -0.875 0.376 -1.582) 1.847 3.224 ( 3.800 0.806 -8.990) 9.793 3.288 ( 5.472 -1.605 -10.129) 11.623 3.813 ( 1.188 0.381 -4.514) 4.683 3.831 ( 1.177 -0.315 -3.676) 3.873 4.220 ( -2.140 1.124 8.661) 8.992 4.291 ( -1.452 -1.759 6.883) 7.251 4.455 ( 1.769 0.708 -2.332) 3.011 4.465 ( 1.290 0.296 -2.720) 3.025 4.668 ( -1.162 0.747 0.446) 1.452 4.714 ( 0.546 -1.102 -1.019) 1.597 4.872 ( 0.106 1.893 -2.266) 2.955 4.946 ( -0.975 -1.026 -1.911) 2.378 5.215 ( 1.000 0.584 -1.450) 1.856 5.255 ( -0.652 -1.057 0.831) 1.495 5.283 ( 0.292 0.392 1.021) 1.132 5.304 ( 0.215 -0.089 -0.785) 0.819 9.030 ( -0.654 0.850 2.322) 2.558 9.084 ( -0.877 -1.302 1.670) 2.292 9.272 ( 0.537 0.829 -1.669) 1.939 9.314 ( 0.676 -0.884 -2.007) 2.295 9.466 ( -3.814 0.529 7.493) 8.425 9.487 ( -2.304 -0.281 8.634) 8.941 9.662 ( 0.939 1.615 0.299) 1.892 9.727 ( 0.866 -0.969 0.714) 1.483 9.935 ( -0.227 0.253 4.114) 4.128 9.958 ( 0.075 -1.006 2.036) 2.272 10.061 ( 0.256 3.012 -1.126) 3.225 10.196 ( -0.435 -2.776 -1.532) 3.201 10.647 ( 0.371 1.771 0.195) 1.820 10.743 ( -0.200 -1.696 -0.788) 1.881 10.798 ( -1.313 0.073 -1.383) 1.908 10.808 ( -1.883 -0.639 -2.302) 3.042 14.551 ( -0.242 0.046 0.465) 0.526 14.554 ( -0.239 -0.070 0.417) 0.486 14.593 ( -0.004 0.180 -0.461) 0.495 14.602 ( 0.096 -0.150 -0.414) 0.451======================= Grid point 80 (44/87) =======================q-point: (-0.57 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.672 ( -1.047 2.710 -3.429) 4.494 0.846 ( 0.114 -2.334 -0.552) 2.401 0.869 ( -2.116 -5.218 -0.605) 5.663 0.878 ( -1.350 -2.547 -0.633) 2.951 0.940 ( 4.089 2.237 0.542) 4.692 0.992 ( 1.339 -0.101 0.596) 1.469 1.096 ( 0.866 -0.191 3.390) 3.504 1.192 ( 0.536 -3.662 2.493) 4.463 1.254 ( -0.764 3.726 0.119) 3.806 1.307 ( -3.146 -0.394 1.231) 3.401 1.418 ( 3.257 3.893 -1.409) 5.267 1.519 ( -0.826 2.747 1.828) 3.401 1.560 ( -3.586 -0.958 9.231) 9.950 1.671 ( 2.128 -0.926 -0.931) 2.501 1.705 ( -5.291 -1.482 4.289) 6.971 1.816 ( -3.423 3.046 11.047) 11.960 1.880 ( -0.302 -0.805 -0.227) 0.889 1.924 ( -4.185 -1.143 10.397) 11.266 1.953 ( 1.408 0.818 -1.335) 2.105 2.053 ( 0.909 -3.411 -0.293) 3.542 2.537 ( 1.688 0.007 1.709) 2.402 2.562 ( 0.401 -1.504 2.648) 3.071 2.709 ( -0.396 2.002 0.396) 2.079 2.743 ( -1.415 1.137 -1.981) 2.687 3.237 ( 3.380 1.219 -8.872) 9.572 3.317 ( 4.306 -1.862 -10.467) 11.471 3.807 ( 1.207 0.594 -4.615) 4.807 3.835 ( 1.697 -0.506 -3.770) 4.166 4.229 ( -2.540 0.797 8.279) 8.696 4.297 ( -2.220 -2.222 6.192) 6.943 4.469 ( 1.255 1.461 -1.710) 2.575 4.489 ( 2.363 0.311 -2.237) 3.269 4.648 ( -1.043 1.171 0.217) 1.583 4.713 ( -0.076 -1.405 -0.946) 1.695 4.865 ( 0.925 1.308 -2.619) 3.070 4.917 ( -0.783 -0.731 -1.469) 1.818 5.224 ( 0.867 0.368 -1.365) 1.659 5.249 ( -0.300 -0.669 0.439) 0.855 5.300 ( -0.146 0.266 -0.446) 0.539 5.309 ( 1.305 -0.123 1.782) 2.212 9.039 ( -0.068 0.579 2.529) 2.596 9.081 ( -0.621 -1.104 1.977) 2.348 9.267 ( 0.119 0.870 -1.877) 2.072 9.305 ( -0.152 -0.688 -2.201) 2.311 9.459 ( -2.129 0.997 7.828) 8.174 9.513 ( -0.675 -1.232 8.614) 8.727 9.684 ( 0.974 1.756 0.338) 2.036 9.742 ( 0.167 -0.730 0.535) 0.920 9.964 ( -0.176 -0.096 3.940) 3.945 9.971 ( 0.280 -0.281 3.613) 3.635 10.067 ( 0.937 2.477 -0.673) 2.733 10.198 ( 1.293 -2.883 -0.253) 3.170 10.643 ( -0.709 1.335 -0.697) 1.665 10.723 ( -1.479 -1.912 -2.899) 3.775 10.760 ( -1.097 0.540 -0.900) 1.518 10.775 ( -0.149 -0.077 -1.301) 1.312 14.549 ( -0.238 0.071 0.426) 0.493 14.553 ( -0.134 -0.104 0.454) 0.484 14.591 ( 0.124 0.196 -0.422) 0.481 14.601 ( 0.092 -0.163 -0.440) 0.478======================= Grid point 81 (45/87) =======================q-point: (-0.43 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.618 ( -2.471 2.427 -1.984) 3.991 0.728 ( -7.330 -1.715 -1.942) 7.775 0.821 ( -2.768 -4.464 -1.496) 5.461 0.896 ( 1.697 -5.461 0.337) 5.728 0.968 ( -4.525 1.777 -0.279) 4.869 1.018 ( 1.605 -0.377 0.678) 1.783 1.118 ( 0.363 3.324 3.273) 4.679 1.241 ( -1.826 2.984 0.249) 3.507 1.253 ( 0.470 0.034 0.210) 0.516 1.276 ( 1.704 -0.912 1.876) 2.694 1.383 ( -1.639 2.512 2.249) 3.749 1.531 ( -4.890 -5.860 1.526) 7.783 1.585 ( 3.601 4.266 0.316) 5.591 1.631 ( -0.403 2.750 5.702) 6.344 1.741 ( 3.335 -0.875 -3.804) 5.134 1.832 ( -4.267 2.081 15.764) 16.463 1.878 ( 0.431 -0.985 -1.579) 1.910 1.911 ( -4.626 -2.572 13.816) 14.795 1.978 ( 1.492 0.970 -0.341) 1.812 2.089 ( 2.702 -2.755 0.277) 3.869 2.552 ( -1.114 -0.195 0.905) 1.448 2.577 ( -0.234 -1.323 2.171) 2.553 2.693 ( -1.828 1.320 0.491) 2.308 2.715 ( 0.159 1.043 -1.936) 2.205 3.240 ( 2.883 1.317 -8.919) 9.466 3.318 ( 2.818 -1.712 -10.814) 11.306 3.802 ( 1.503 0.880 -4.837) 5.141 3.846 ( 1.942 -0.804 -4.098) 4.606 4.227 ( -2.938 0.413 7.445) 8.014 4.285 ( -2.831 -2.383 5.354) 6.509 4.479 ( 0.504 2.250 -1.001) 2.514 4.517 ( 1.637 0.104 -1.309) 2.099 4.634 ( -0.617 1.386 0.435) 1.578 4.701 ( -0.735 -1.289 -0.120) 1.489 4.874 ( 1.690 0.746 -3.218) 3.711 4.905 ( 0.885 -0.448 -1.879) 2.125 5.230 ( 0.675 0.142 -1.510) 1.660 5.245 ( -0.196 -0.624 -0.765) 1.006 5.292 ( -0.400 1.389 0.083) 1.448 5.355 ( 1.996 -1.202 2.265) 3.249 9.056 ( 0.137 0.277 2.305) 2.325 9.085 ( -0.335 -0.959 2.166) 2.393 9.256 ( 0.084 0.814 -2.060) 2.216 9.285 ( -0.427 -0.411 -2.236) 2.313 9.477 ( -1.482 1.529 8.216) 8.488 9.565 ( 0.649 -2.211 7.400) 7.750 9.700 ( 0.477 1.524 0.250) 1.616 9.740 ( -0.591 -0.391 0.284) 0.764 9.966 ( -0.909 0.296 1.858) 2.089 10.018 ( 0.495 -1.729 4.666) 5.000 10.100 ( 2.995 3.118 2.759) 5.129 10.239 ( 2.823 -2.630 0.221) 3.864 10.611 ( -1.977 0.044 -1.457) 2.456 10.647 ( -3.708 -1.205 -3.281) 5.095 10.760 ( 0.933 0.730 -0.070) 1.187 10.777 ( 1.071 -0.075 -1.052) 1.503 14.548 ( -0.128 0.104 0.426) 0.456 14.554 ( -0.075 -0.137 0.440) 0.467 14.592 ( 0.249 0.161 -0.412) 0.508 14.600 ( 0.145 -0.133 -0.447) 0.488======================= Grid point 82 (46/87) =======================q-point: (-0.29 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.566 ( -2.453 2.305 0.989) 3.508 0.588 ( -6.105 2.189 0.008) 6.485 0.764 ( -1.769 -3.943 -0.913) 4.417 0.831 ( -8.179 3.127 0.329) 8.763 0.943 ( 2.350 -5.865 0.123) 6.319 1.008 ( -2.251 -2.611 0.533) 3.488 1.146 ( -0.638 3.038 1.124) 3.301 1.177 ( -5.069 4.639 2.731) 7.394 1.202 ( -1.704 1.888 -0.087) 2.545 1.362 ( 3.152 1.035 1.824) 3.785 1.434 ( 1.281 -1.533 2.250) 3.009 1.454 ( 0.069 -6.020 -0.241) 6.025 1.643 ( 1.844 0.860 2.029) 2.873 1.672 ( 1.084 4.644 1.809) 5.100 1.775 ( 2.450 0.339 -1.850) 3.089 1.847 ( -3.750 -0.043 13.505) 14.016 1.861 ( -3.989 1.537 7.498) 8.631 1.919 ( -2.329 -5.129 7.311) 9.229 2.006 ( 1.744 2.103 -0.538) 2.785 2.141 ( 2.146 -1.427 0.021) 2.577 2.520 ( -2.622 0.342 0.960) 2.813 2.569 ( -1.989 -1.486 1.632) 2.971 2.667 ( -0.879 1.416 0.325) 1.698 2.717 ( 1.081 -0.407 -1.301) 1.740 3.235 ( 2.666 0.971 -9.395) 9.814 3.292 ( 1.771 -1.307 -10.934) 11.154 3.804 ( 1.892 1.043 -4.952) 5.403 3.854 ( 1.692 -0.902 -4.540) 4.929 4.212 ( -3.239 0.133 6.617) 7.369 4.260 ( -3.090 -2.095 5.137) 6.350 4.473 ( -0.479 2.594 -0.843) 2.769 4.530 ( 0.335 -0.334 -0.592) 0.757 4.631 ( -0.103 1.442 0.874) 1.690 4.689 ( -0.684 -0.951 1.237) 1.704 4.883 ( 1.452 1.122 -2.990) 3.508 4.930 ( 3.164 -0.688 -3.494) 4.764 5.230 ( -0.181 -0.243 -1.862) 1.887 5.233 ( 0.605 -0.324 -1.854) 1.977 5.286 ( -0.566 2.331 0.719) 2.504 5.403 ( 1.631 -2.463 1.024) 3.127 9.070 ( -0.134 0.068 1.742) 1.748 9.091 ( -0.431 -0.930 1.984) 2.233 9.247 ( 0.455 0.705 -2.055) 2.219 9.267 ( 0.062 -0.215 -2.043) 2.055 9.501 ( -1.645 2.123 8.464) 8.880 9.619 ( 0.740 -2.789 4.789) 5.591 9.703 ( -0.424 0.998 0.256) 1.114 9.726 ( -0.964 -0.118 0.069) 0.974 9.957 ( -1.094 0.426 1.412) 1.836 10.030 ( -0.812 -1.269 1.254) 1.961 10.232 ( 6.594 -0.608 4.837) 8.201 10.294 ( 2.759 -1.625 -0.731) 3.285 10.525 ( -4.540 0.594 -2.442) 5.189 10.591 ( -1.792 -2.109 2.259) 3.572 10.786 ( 1.630 0.819 0.033) 1.824 10.798 ( 1.721 0.037 -1.191) 2.094 14.549 ( -0.063 0.119 0.414) 0.435 14.556 ( -0.046 -0.149 0.437) 0.464 14.595 ( 0.300 0.118 -0.428) 0.536 14.600 ( 0.198 -0.094 -0.435) 0.487======================= Grid point 83 (47/87) =======================q-point: (-0.14 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.522 ( -0.602 5.172 1.059) 5.313 0.523 ( -4.947 6.270 5.469) 9.680 0.701 ( -3.130 -1.646 1.601) 3.882 0.786 ( 2.330 0.015 1.500) 2.772 0.952 ( -3.143 -4.183 -0.159) 5.235 0.973 ( 0.480 -5.366 -0.119) 5.388 1.079 ( -4.781 3.797 3.611) 7.093 1.163 ( 0.078 2.054 2.054) 2.906 1.180 ( -1.139 3.304 -0.444) 3.523 1.393 ( 0.281 -1.044 -3.114) 3.296 1.436 ( 1.066 -3.666 1.453) 4.085 1.526 ( 2.675 -2.891 2.903) 4.893 1.674 ( 0.199 0.721 1.382) 1.571 1.698 ( -0.808 3.209 4.660) 5.715 1.795 ( 0.215 2.089 0.212) 2.111 1.824 ( -6.433 1.270 12.697) 14.290 1.879 ( -0.347 -1.978 8.888) 9.113 1.907 ( -2.028 -3.940 3.403) 5.587 2.039 ( 2.262 2.505 -0.792) 3.467 2.156 ( -0.754 -0.486 -0.038) 0.898 2.472 ( -2.941 0.862 1.153) 3.275 2.526 ( -3.350 -1.148 1.274) 3.763 2.668 ( 0.450 1.649 1.053) 2.008 2.741 ( 2.285 -1.386 -1.389) 3.012 3.224 ( 2.765 0.333 -10.279) 10.649 3.254 ( 1.399 -0.905 -10.441) 10.573 3.811 ( 1.999 0.902 -4.833) 5.307 3.852 ( 1.224 -0.720 -4.737) 4.945 4.192 ( -3.001 0.356 6.508) 7.176 4.241 ( -2.372 -1.524 5.895) 6.534 4.454 ( -0.682 2.349 -1.148) 2.702 4.522 ( -0.772 -0.718 -0.594) 1.210 4.641 ( 0.521 1.246 1.174) 1.789 4.694 ( 0.019 -0.842 1.899) 2.078 4.892 ( 1.515 1.941 -3.218) 4.052 4.966 ( 2.886 -1.034 -4.007) 5.046 5.213 ( 0.095 0.400 -2.517) 2.550 5.240 ( 1.054 -0.603 -1.575) 1.989 5.277 ( -0.832 2.361 0.709) 2.602 5.415 ( -0.629 -3.205 -0.900) 3.388 9.069 ( -0.913 0.082 1.221) 1.526 9.094 ( -0.501 -1.016 1.732) 2.069 9.248 ( 0.829 0.619 -1.734) 2.020 9.265 ( 1.145 -0.243 -1.965) 2.287 9.514 ( -2.628 2.434 8.389) 9.121 9.645 ( -0.801 -2.652 2.962) 4.056 9.686 ( -1.532 0.463 0.442) 1.660 9.708 ( -0.874 -0.197 -0.116) 0.904 9.944 ( -0.994 -0.023 1.097) 1.480 10.011 ( -1.949 -1.679 0.779) 2.688 10.250 ( -5.090 0.176 -5.614) 7.580 10.310 ( 0.158 -1.394 -3.020) 3.330 10.530 ( 2.815 0.428 3.916) 4.842 10.626 ( 3.639 -5.036 6.525) 9.010 10.817 ( 1.884 0.945 -0.666) 2.211 10.825 ( 1.740 0.093 -0.953) 1.986 14.550 ( -0.071 0.131 0.405) 0.432 14.558 ( -0.072 -0.156 0.455) 0.486 14.598 ( 0.287 0.078 -0.429) 0.523 14.601 ( 0.157 -0.051 -0.447) 0.477======================= Grid point 84 (48/87) =======================q-point: ( 0.00 -0.50 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 85Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.656 ( 1.114 -7.787 2.200) 8.168 0.656 ( 1.114 7.787 2.200) 8.168 0.678 ( 0.245 -4.330 1.669) 4.647 0.678 ( 0.245 4.330 1.669) 4.647 0.934 ( 3.027 -2.064 -1.815) 4.089 0.934 ( 3.027 2.064 -1.815) 4.089 1.136 ( -1.551 -3.459 1.956) 4.266 1.136 ( -1.551 3.459 1.956) 4.266 1.262 ( 0.410 -6.890 -0.269) 6.908 1.262 ( 0.410 6.890 -0.269) 6.908 1.492 ( -0.898 -4.074 1.179) 4.335 1.492 ( -0.898 4.074 1.179) 4.335 1.660 ( -5.839 -0.535 8.836) 10.605 1.660 ( -5.839 0.535 8.836) 10.605 1.822 ( -2.314 -1.096 7.773) 8.184 1.822 ( -2.314 1.096 7.773) 8.184 1.904 ( 0.974 -1.236 2.858) 3.262 1.904 ( 0.974 1.236 2.858) 3.262 2.100 ( -0.619 -1.191 -2.168) 2.549 2.100 ( -0.619 1.191 -2.168) 2.549 2.455 ( -2.056 -1.150 1.561) 2.826 2.455 ( -2.056 1.150 1.561) 2.826 2.738 ( 1.857 -2.374 -0.417) 3.043 2.738 ( 1.857 2.374 -0.417) 3.043 3.216 ( 2.926 -0.128 -10.086) 10.503 3.216 ( 2.926 0.128 -10.086) 10.503 3.831 ( 1.321 -0.740 -4.573) 4.817 3.831 ( 1.321 0.740 -4.573) 4.817 4.215 ( -1.501 -1.611 7.060) 7.395 4.215 ( -1.501 1.611 7.060) 7.395 4.474 ( -0.607 -1.556 -1.554) 2.281 4.474 ( -0.607 1.556 -1.554) 2.281 4.684 ( 0.309 -1.209 1.125) 1.680 4.684 ( 0.309 1.209 1.125) 1.680 4.946 ( 1.219 -2.333 -3.773) 4.600 4.946 ( 1.219 2.333 -3.773) 4.600 5.230 ( 0.927 -1.333 -1.774) 2.405 5.230 ( 0.927 1.333 -1.774) 2.405 5.314 ( -1.643 -2.815 0.347) 3.278 5.314 ( -1.643 2.815 0.347) 3.278 9.069 ( -0.924 -1.079 1.372) 1.975 9.069 ( -0.924 1.079 1.372) 1.975 9.270 ( 1.331 -0.675 -1.631) 2.211 9.270 ( 1.331 0.675 -1.631) 2.211 9.557 ( -4.699 -2.810 7.236) 9.074 9.557 ( -4.699 2.810 7.236) 9.074 9.677 ( -0.671 -1.049 0.139) 1.253 9.677 ( -0.671 1.049 0.139) 1.253 9.936 ( -1.703 -0.711 1.764) 2.553 9.936 ( -1.703 0.711 1.764) 2.553 10.211 ( -2.212 -3.936 -3.471) 5.694 10.211 ( -2.212 3.936 -3.471) 5.694 10.631 ( 2.516 -3.411 3.213) 5.319 10.631 ( 2.516 3.411 3.213) 5.319 10.845 ( 0.756 -0.207 -1.240) 1.467 10.845 ( 0.756 0.207 -1.240) 1.467 14.555 ( -0.134 -0.187 0.433) 0.490 14.555 ( -0.134 0.187 0.433) 0.490 14.601 ( 0.133 -0.024 -0.444) 0.464 14.601 ( 0.133 0.024 -0.444) 0.464======================= Grid point 86 (49/87) =======================q-point: ( 0.14 -0.50 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 85Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.666 ( 0.814 -6.077 2.857) 6.764 0.666 ( 0.814 6.077 2.857) 6.764 0.765 ( 5.109 -2.735 1.175) 5.913 0.765 ( 5.109 2.735 1.175) 5.913 0.971 ( 0.747 -0.940 -0.724) 1.402 0.971 ( 0.747 0.940 -0.724) 1.402 1.106 ( -0.993 -2.480 -1.286) 2.965 1.106 ( -0.993 2.480 -1.286) 2.965 1.303 ( 3.561 -5.847 -0.477) 6.863 1.303 ( 3.561 5.847 -0.477) 6.863 1.449 ( -3.881 -2.223 2.804) 5.279 1.449 ( -3.881 2.223 2.804) 5.279 1.613 ( -6.015 -2.512 11.341) 13.081 1.613 ( -6.015 2.512 11.341) 13.081 1.838 ( -0.851 -2.737 5.935) 6.591 1.838 ( -0.851 2.737 5.935) 6.591 1.920 ( -0.800 -1.443 1.851) 2.479 1.920 ( -0.800 1.443 1.851) 2.479 2.058 ( -2.342 -1.960 -2.451) 3.916 2.058 ( -2.342 1.960 -2.451) 3.916 2.453 ( 0.423 -1.017 2.800) 3.009 2.453 ( 0.423 1.017 2.800) 3.009 2.762 ( 0.938 -2.436 -0.840) 2.742 2.762 ( 0.938 2.436 -0.840) 2.742 3.223 ( 4.320 -0.978 -9.608) 10.580 3.223 ( 4.320 0.978 -9.608) 10.580 3.826 ( 1.163 -0.513 -4.233) 4.420 3.826 ( 1.163 0.513 -4.233) 4.420 4.235 ( -1.437 -1.786 7.687) 8.022 4.235 ( -1.437 1.786 7.687) 8.022 4.460 ( 0.572 -0.915 -2.449) 2.676 4.460 ( 0.572 0.915 -2.449) 2.676 4.692 ( -0.014 -0.892 0.367) 0.965 4.692 ( -0.014 0.892 0.367) 0.965 4.936 ( -0.023 -2.348 -2.876) 3.713 4.936 ( -0.023 2.348 -2.876) 3.713 5.233 ( 0.238 -1.542 -0.840) 1.772 5.233 ( 0.238 1.542 -0.840) 1.772 5.294 ( -0.414 -1.277 0.027) 1.343 5.294 ( -0.414 1.277 0.027) 1.343 9.060 ( -0.972 -1.462 1.611) 2.383 9.060 ( -0.972 1.462 1.611) 2.383 9.285 ( 1.247 -0.980 -1.650) 2.288 9.285 ( 1.247 0.980 -1.650) 2.288 9.507 ( -4.990 -0.813 7.730) 9.237 9.507 ( -4.990 0.813 7.730) 9.237 9.679 ( 0.601 -1.561 0.373) 1.714 9.679 ( 0.601 1.561 0.373) 1.714 9.929 ( -0.571 -0.329 2.537) 2.621 9.929 ( -0.571 0.329 2.537) 2.621 10.158 ( -1.421 -4.026 -2.354) 4.875 10.158 ( -1.421 4.026 -2.354) 4.875 10.679 ( 1.250 -3.286 0.863) 3.620 10.679 ( 1.250 3.286 0.863) 3.620 10.835 ( -0.873 -0.391 -1.420) 1.712 10.835 ( -0.873 0.391 -1.420) 1.712 14.554 ( -0.216 -0.132 0.434) 0.503 14.554 ( -0.216 0.132 0.434) 0.503 14.599 ( 0.056 -0.137 -0.445) 0.469 14.599 ( 0.056 0.137 -0.445) 0.469======================= Grid point 88 (50/87) =======================q-point: ( 0.29 -0.50 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 85Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.720 ( 2.941 -3.263 1.118) 4.532 0.720 ( 2.941 3.263 1.118) 4.532 0.864 ( 3.686 -3.385 -0.106) 5.006 0.864 ( 3.686 3.385 -0.106) 5.006 0.938 ( -1.969 -1.841 -0.351) 2.718 0.938 ( -1.969 1.841 -0.351) 2.718 1.100 ( -0.064 -3.462 0.978) 3.598 1.100 ( -0.064 3.462 0.978) 3.598 1.335 ( -1.098 -1.966 -0.618) 2.335 1.335 ( -1.098 1.966 -0.618) 2.335 1.455 ( 4.228 -6.546 2.104) 8.072 1.455 ( 4.228 6.546 2.104) 8.072 1.566 ( -5.892 -2.978 9.695) 11.729 1.566 ( -5.892 2.978 9.695) 11.729 1.845 ( -2.823 -3.586 5.573) 7.203 1.845 ( -2.823 3.586 5.573) 7.203 1.908 ( -1.926 -0.843 3.300) 3.912 1.908 ( -1.926 0.843 3.300) 3.912 1.995 ( -1.685 -3.287 -2.655) 4.549 1.995 ( -1.685 3.287 -2.655) 4.549 2.496 ( 1.754 -0.925 3.018) 3.611 2.496 ( 1.754 0.925 3.018) 3.611 2.763 ( -0.247 -1.944 -0.756) 2.100 2.763 ( -0.247 1.944 -0.756) 2.100 3.251 ( 4.637 -1.798 -9.471) 10.698 3.251 ( 4.637 1.798 -9.471) 10.698 3.823 ( 1.210 -0.502 -4.123) 4.326 3.823 ( 1.210 0.502 -4.123) 4.326 4.252 ( -2.049 -1.881 7.828) 8.308 4.252 ( -2.049 1.881 7.828) 8.308 4.466 ( 1.782 -0.283 -2.712) 3.257 4.466 ( 1.782 0.283 -2.712) 3.257 4.689 ( -0.313 -1.263 -0.212) 1.318 4.689 ( -0.313 1.263 -0.212) 1.318 4.914 ( -0.491 -2.012 -2.151) 2.986 4.914 ( -0.491 2.012 -2.151) 2.986 5.232 ( 0.133 -1.078 -0.231) 1.110 5.232 ( 0.133 1.078 -0.231) 1.110 5.295 ( 0.319 -0.658 0.027) 0.732 5.295 ( 0.319 0.658 0.027) 0.732 9.054 ( -0.754 -1.442 1.949) 2.539 9.054 ( -0.754 1.442 1.949) 2.539 9.293 ( 0.649 -1.110 -1.776) 2.193 9.293 ( 0.649 1.110 -1.776) 2.193 9.478 ( -3.173 -0.588 8.034) 8.658 9.478 ( -3.173 0.588 8.034) 8.658 9.699 ( 1.028 -1.764 0.556) 2.116 9.699 ( 1.028 1.764 0.556) 2.116 9.943 ( 0.015 -0.534 3.277) 3.320 9.943 ( 0.015 0.534 3.277) 3.320 10.129 ( -0.374 -3.548 -1.407) 3.835 10.129 ( -0.374 3.548 -1.407) 3.835 10.694 ( 0.362 -2.700 -0.726) 2.819 10.694 ( 0.362 2.700 -0.726) 2.819 10.800 ( -1.566 -0.166 -1.453) 2.143 10.800 ( -1.566 0.166 -1.453) 2.143 14.552 ( -0.243 -0.079 0.434) 0.504 14.552 ( -0.243 0.079 0.434) 0.504 14.598 ( 0.047 -0.230 -0.435) 0.494 14.598 ( 0.047 0.230 -0.435) 0.494======================= Grid point 90 (51/87) =======================q-point: (-0.57 -0.50 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 85Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.751 ( -0.569 -4.993 -2.494) 5.610 0.751 ( -0.569 4.993 -2.494) 5.610 0.835 ( -2.536 -0.858 -0.684) 2.763 0.835 ( -2.536 0.858 -0.684) 2.763 0.982 ( 2.772 -1.115 0.395) 3.014 0.982 ( 2.772 1.115 0.395) 3.014 1.124 ( 1.685 -2.620 4.463) 5.443 1.124 ( 1.685 2.620 4.463) 5.443 1.298 ( -2.093 -0.846 0.676) 2.357 1.298 ( -2.093 0.846 0.676) 2.357 1.504 ( -4.209 -3.906 2.822) 6.398 1.504 ( -4.209 3.906 2.822) 6.398 1.585 ( 6.504 -4.799 0.820) 8.124 1.585 ( 6.504 4.799 0.820) 8.124 1.786 ( -6.115 -5.524 5.570) 9.946 1.786 ( -6.115 5.524 5.570) 9.946 1.900 ( -2.673 -1.912 7.966) 8.617 1.900 ( -2.673 1.912 7.966) 8.617 1.983 ( 1.686 -2.657 -2.034) 3.747 1.983 ( 1.686 2.657 -2.034) 3.747 2.541 ( 0.999 -0.497 2.227) 2.491 2.541 ( 0.999 0.497 2.227) 2.491 2.745 ( -1.116 -1.085 -0.536) 1.646 2.745 ( -1.116 1.085 -0.536) 1.646 3.273 ( 3.880 -2.243 -9.555) 10.554 3.273 ( 3.880 2.243 -9.555) 10.554 3.822 ( 1.461 -0.787 -4.231) 4.545 3.822 ( 1.461 0.787 -4.231) 4.545 4.255 ( -2.593 -1.737 7.255) 7.898 4.255 ( -2.593 1.737 7.255) 7.898 4.489 ( 2.086 -0.411 -2.119) 3.001 4.489 ( 2.086 0.411 -2.119) 3.001 4.679 ( -0.515 -1.771 -0.297) 1.868 4.679 ( -0.515 1.771 -0.297) 1.868 4.895 ( -0.034 -1.407 -2.063) 2.497 4.895 ( -0.034 1.407 -2.063) 2.497 5.235 ( 0.360 -0.675 -0.571) 0.955 5.235 ( 0.360 0.675 -0.571) 0.955 5.305 ( 0.489 -0.241 0.781) 0.952 5.305 ( 0.489 0.241 0.781) 0.952 9.057 ( -0.375 -1.102 2.222) 2.508 9.057 ( -0.375 1.102 2.222) 2.508 9.287 ( 0.052 -1.025 -1.984) 2.234 9.287 ( 0.052 1.025 -1.984) 2.234 9.485 ( -1.554 -1.431 8.217) 8.484 9.485 ( -1.554 1.431 8.217) 8.484 9.719 ( 0.629 -1.527 0.457) 1.714 9.719 ( 0.629 1.527 0.457) 1.714 9.966 ( -0.024 -0.216 3.752) 3.758 9.966 ( -0.024 0.216 3.752) 3.758 10.130 ( 1.118 -3.501 -0.284) 3.686 10.130 ( 1.118 3.501 -0.284) 3.686 10.679 ( -1.218 -2.171 -2.121) 3.271 10.679 ( -1.218 2.171 -2.121) 3.271 10.770 ( -0.459 -0.382 -0.969) 1.138 10.770 ( -0.459 0.382 -0.969) 1.138 14.551 ( -0.185 -0.119 0.434) 0.487 14.551 ( -0.185 0.119 0.434) 0.487 14.596 ( 0.106 -0.249 -0.427) 0.505 14.596 ( 0.106 0.249 -0.427) 0.505======================= Grid point 92 (52/87) =======================q-point: (-0.43 -0.50 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 85Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.684 ( -3.397 -3.632 -2.373) 5.510 0.684 ( -3.397 3.632 -2.373) 5.510 0.791 ( -2.218 -3.188 -0.177) 3.887 0.791 ( -2.218 3.188 -0.177) 3.887 1.000 ( -1.166 -1.279 0.602) 1.832 1.000 ( -1.166 1.279 0.602) 1.832 1.197 ( 1.630 -3.465 2.452) 4.547 1.197 ( 1.630 3.465 2.452) 4.547 1.290 ( 1.804 -0.766 0.424) 2.005 1.290 ( 1.804 0.766 0.424) 2.005 1.423 ( -4.850 -3.487 0.353) 5.984 1.423 ( -4.850 3.487 0.353) 5.984 1.689 ( 3.667 -4.284 -1.593) 5.860 1.689 ( 3.667 4.284 -1.593) 5.860 1.736 ( -2.857 -7.229 8.580) 11.577 1.736 ( -2.857 7.229 8.580) 11.577 1.900 ( -3.511 -1.217 10.554) 11.189 1.900 ( -3.511 1.217 10.554) 11.189 2.019 ( 3.250 -3.278 -1.897) 4.991 2.019 ( 3.250 3.278 -1.897) 4.991 2.556 ( -0.600 -0.690 1.375) 1.651 2.556 ( -0.600 0.690 1.375) 1.651 2.718 ( -1.298 -0.747 -0.394) 1.548 2.718 ( -1.298 0.747 -0.394) 1.548 3.276 ( 2.878 -2.144 -9.730) 10.371 3.276 ( 2.878 2.144 -9.730) 10.371 3.825 ( 1.745 -1.197 -4.516) 4.987 3.825 ( 1.745 1.197 -4.516) 4.987 4.245 ( -2.989 -1.439 6.463) 7.264 4.245 ( -2.989 1.439 6.463) 7.264 4.511 ( 1.167 -0.852 -1.238) 1.903 4.511 ( 1.167 0.852 -1.238) 1.903 4.668 ( -0.557 -1.822 0.232) 1.920 4.668 ( -0.557 1.822 0.232) 1.920 4.891 ( 1.285 -0.854 -2.659) 3.074 4.891 ( 1.285 0.854 -2.659) 3.074 5.235 ( 0.239 -0.383 -1.364) 1.437 5.235 ( 0.239 0.383 -1.364) 1.437 5.324 ( 0.684 -1.677 1.476) 2.336 5.324 ( 0.684 1.677 1.476) 2.336 9.066 ( -0.149 -0.760 2.208) 2.340 9.066 ( -0.149 0.760 2.208) 2.340 9.273 ( -0.134 -0.750 -2.097) 2.231 9.273 ( -0.134 0.750 -2.097) 2.231 9.517 ( -0.602 -2.333 8.131) 8.481 9.517 ( -0.602 2.333 8.131) 8.481 9.726 ( -0.106 -0.998 0.255) 1.036 9.726 ( -0.106 0.998 0.255) 1.036 9.984 ( -0.580 -1.455 3.478) 3.814 9.984 ( -0.580 1.455 3.478) 3.814 10.172 ( 3.132 -3.725 1.095) 4.988 10.172 ( 3.132 3.725 1.095) 4.988 10.622 ( -3.043 -1.045 -2.405) 4.017 10.622 ( -3.043 1.045 -2.405) 4.017 10.773 ( 1.077 -0.429 -0.673) 1.340 10.773 ( 1.077 0.429 -0.673) 1.340 14.551 ( -0.099 -0.165 0.429) 0.470 14.551 ( -0.099 0.165 0.429) 0.470 14.596 ( 0.193 -0.204 -0.425) 0.510 14.596 ( 0.193 0.204 -0.425) 0.510======================= Grid point 94 (53/87) =======================q-point: (-0.29 -0.50 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 85Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.616 ( -2.083 -2.429 -1.490) 3.529 0.616 ( -2.083 2.429 -1.490) 3.529 0.762 ( -1.444 -6.023 2.209) 6.576 0.762 ( -1.444 6.023 2.209) 6.576 0.946 ( -3.597 -3.481 -1.510) 5.228 0.946 ( -3.597 3.481 -1.510) 5.228 1.194 ( -2.235 -1.699 0.376) 2.833 1.194 ( -2.235 1.699 0.376) 2.833 1.307 ( -1.836 -6.953 0.977) 7.257 1.307 ( -1.836 6.953 0.977) 7.257 1.403 ( 3.226 -2.722 0.331) 4.234 1.403 ( 3.226 2.722 0.331) 4.234 1.715 ( -1.670 -5.466 7.188) 9.183 1.715 ( -1.670 5.466 7.188) 9.183 1.766 ( 1.476 -4.237 1.852) 4.854 1.766 ( 1.476 4.237 1.852) 4.854 1.893 ( -4.171 -0.518 9.932) 10.784 1.893 ( -4.171 0.518 9.932) 10.784 2.074 ( 3.368 -4.352 -1.890) 5.818 2.074 ( 3.368 4.352 -1.890) 5.818 2.538 ( -2.043 -1.394 1.042) 2.684 2.538 ( -2.043 1.394 1.042) 2.684 2.698 ( -0.389 -1.398 -0.202) 1.466 2.698 ( -0.389 1.398 -0.202) 1.466 3.261 ( 2.147 -1.547 -10.074) 10.416 3.261 ( 2.147 1.547 -10.074) 10.416 3.830 ( 1.852 -1.373 -4.831) 5.353 3.830 ( 1.852 1.373 -4.831) 5.353 4.225 ( -3.103 -1.234 6.062) 6.921 4.225 ( -3.103 1.234 6.062) 6.921 4.514 ( -0.214 -1.359 -0.711) 1.548 4.514 ( -0.214 1.359 -0.711) 1.548 4.663 ( -0.332 -1.563 1.095) 1.937 4.663 ( -0.332 1.563 1.095) 1.937 4.909 ( 2.552 -1.298 -3.556) 4.565 4.909 ( 2.552 1.298 -3.556) 4.565 5.229 ( 0.285 -0.134 -1.937) 1.963 5.229 ( 0.285 0.134 -1.937) 1.963 5.343 ( 0.186 -3.125 1.272) 3.379 5.343 ( 0.186 3.125 1.272) 3.379 9.075 ( -0.319 -0.545 1.823) 1.929 9.075 ( -0.319 0.545 1.823) 1.929 9.260 ( 0.225 -0.464 -1.960) 2.027 9.260 ( 0.225 0.464 -1.960) 2.027 9.557 ( -0.635 -3.172 7.501) 8.169 9.557 ( -0.635 3.172 7.501) 8.169 9.718 ( -0.850 -0.583 0.191) 1.048 9.718 ( -0.850 0.583 0.191) 1.048 9.985 ( -1.316 -2.311 2.527) 3.669 9.985 ( -1.316 2.311 2.527) 3.669 10.252 ( 3.948 -2.127 0.353) 4.499 10.252 ( 3.948 2.127 0.353) 4.499 10.550 ( -3.063 -1.767 0.176) 3.541 10.550 ( -3.063 1.767 0.176) 3.541 10.796 ( 1.774 -0.218 -0.773) 1.947 10.796 ( 1.774 0.218 -0.773) 1.947 14.552 ( -0.053 -0.184 0.423) 0.464 14.552 ( -0.053 0.184 0.423) 0.464 14.598 ( 0.247 -0.145 -0.426) 0.513 14.598 ( 0.247 0.145 -0.426) 0.513======================= Grid point 96 (54/87) =======================q-point: (-0.14 -0.50 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 85Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.603 ( 1.610 -2.582 -0.665) 3.115 0.603 ( 1.610 2.582 -0.665) 3.115 0.730 ( -4.557 -6.217 3.654) 8.530 0.730 ( -4.557 6.217 3.654) 8.530 0.900 ( 1.084 -2.211 -2.228) 3.321 0.900 ( 1.084 2.211 -2.228) 3.321 1.152 ( -2.321 -2.551 2.405) 4.205 1.152 ( -2.321 2.551 2.405) 4.205 1.280 ( -1.336 -6.084 -0.368) 6.240 1.280 ( -1.336 6.084 -0.368) 6.240 1.467 ( 2.471 -3.064 0.694) 3.997 1.467 ( 2.471 3.064 0.694) 3.997 1.709 ( -4.120 -3.235 7.517) 9.162 1.709 ( -4.120 3.235 7.517) 9.162 1.811 ( 0.568 -2.593 4.218) 4.983 1.811 ( 0.568 2.593 4.218) 4.983 1.875 ( -2.614 -1.067 7.501) 8.015 1.875 ( -2.614 1.067 7.501) 8.015 2.108 ( 1.359 -3.743 -2.183) 4.541 2.108 ( 1.359 3.743 -2.183) 4.541 2.497 ( -2.787 -1.486 1.006) 3.315 2.497 ( -2.787 1.486 1.006) 3.315 2.706 ( 1.302 -1.927 -0.020) 2.325 2.706 ( 1.302 1.927 -0.020) 2.325 3.235 ( 1.992 -0.786 -10.357) 10.577 3.235 ( 1.992 0.786 -10.357) 10.577 3.833 ( 1.633 -1.138 -4.895) 5.285 3.833 ( 1.633 1.138 -4.895) 5.285 4.210 ( -2.445 -1.372 6.380) 6.969 4.210 ( -2.445 1.372 6.380) 6.969 4.497 ( -0.951 -1.726 -0.816) 2.133 4.497 ( -0.951 1.726 -0.816) 2.133 4.670 ( 0.163 -1.410 1.501) 2.066 4.670 ( 0.163 1.410 1.501) 2.066 4.935 ( 2.486 -1.986 -4.073) 5.168 4.935 ( 2.486 1.986 -4.073) 5.168 5.225 ( 0.727 -0.760 -2.085) 2.335 5.225 ( 0.727 0.760 -2.085) 2.335 5.340 ( -1.119 -3.715 0.606) 3.927 5.340 ( -1.119 3.715 0.606) 3.927 9.076 ( -0.676 -0.627 1.419) 1.692 9.076 ( -0.676 0.627 1.419) 1.692 9.259 ( 0.870 -0.395 -1.726) 1.973 9.259 ( 0.870 0.395 -1.726) 1.973 9.578 ( -2.120 -3.564 6.882) 8.035 9.578 ( -2.120 3.564 6.882) 8.035 9.698 ( -1.364 -0.671 0.247) 1.540 9.698 ( -1.364 0.671 0.247) 1.540 9.965 ( -2.104 -2.083 1.663) 3.396 9.965 ( -2.104 2.083 1.663) 3.396 10.273 ( -0.887 -1.875 -4.014) 4.519 10.273 ( -0.887 1.875 -4.014) 4.519 10.554 ( 1.918 -2.156 4.945) 5.725 10.554 ( 1.918 2.156 4.945) 5.725 10.826 ( 1.788 -0.116 -1.012) 2.057 10.826 ( 1.788 0.116 -1.012) 2.057 14.554 ( -0.067 -0.196 0.427) 0.474 14.554 ( -0.067 0.196 0.427) 0.474 14.600 ( 0.222 -0.086 -0.433) 0.494 14.600 ( 0.222 0.086 -0.433) 0.494======================= Grid point 105 (55/87) =======================q-point: ( 0.00 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.563 ( 5.875 0.000 2.545) 6.403 0.588 ( -1.011 0.000 4.493) 4.605 0.772 ( 1.776 0.000 -0.004) 1.776 0.811 ( -0.574 0.000 -3.635) 3.680 1.004 ( -6.129 0.000 1.303) 6.266 1.021 ( 1.188 0.000 -0.583) 1.323 1.094 ( 3.601 0.000 3.847) 5.270 1.108 ( -1.716 0.000 5.731) 5.983 1.194 ( -1.820 0.000 -0.221) 1.834 1.303 ( -0.986 0.000 -1.495) 1.791 1.548 ( 4.698 0.000 -1.612) 4.967 1.572 ( -0.815 0.000 -1.618) 1.811 1.635 ( 0.274 0.000 0.941) 0.980 1.721 ( 0.525 0.000 0.286) 0.598 1.798 ( 0.692 0.000 -1.290) 1.464 1.817 ( 1.866 0.000 -5.893) 6.181 2.010 ( -4.530 0.000 5.446) 7.084 2.059 ( 1.676 0.000 -0.054) 1.677 2.136 ( -0.149 0.000 5.552) 5.554 2.156 ( -3.878 0.000 0.956) 3.994 2.512 ( -3.322 0.000 7.281) 8.003 2.592 ( -2.580 0.000 7.766) 8.183 2.800 ( -3.174 0.000 6.636) 7.356 2.889 ( -3.156 0.000 11.648) 12.068 2.992 ( 3.882 0.000 -7.513) 8.457 3.094 ( -0.716 0.000 -1.213) 1.409 3.635 ( 4.568 0.000 -12.921) 13.705 3.680 ( 4.438 0.000 -12.643) 13.399 4.294 ( 0.167 0.000 3.714) 3.718 4.337 ( 0.538 0.000 1.526) 1.618 4.368 ( 0.158 0.000 -2.221) 2.226 4.431 ( -0.706 0.000 -4.539) 4.594 4.699 ( -0.355 0.000 3.583) 3.600 4.771 ( -2.035 0.000 3.912) 4.409 4.843 ( 0.190 0.000 -1.357) 1.371 4.935 ( 1.799 0.000 -3.017) 3.513 5.168 ( -0.367 0.000 0.499) 0.619 5.244 ( 0.699 0.000 -1.091) 1.296 5.261 ( 0.995 0.000 1.033) 1.434 5.358 ( -1.622 0.000 -2.394) 2.891 9.088 ( -1.740 0.000 2.492) 3.039 9.145 ( -0.855 0.000 1.958) 2.136 9.206 ( 1.642 0.000 -2.574) 3.053 9.240 ( 1.915 0.000 -2.471) 3.126 9.610 ( -1.272 0.000 3.503) 3.727 9.655 ( -1.089 0.000 0.042) 1.090 9.677 ( -3.792 0.000 1.687) 4.151 9.700 ( 1.181 0.000 -0.064) 1.183 9.969 ( 0.183 0.000 1.177) 1.191 10.000 ( -0.277 0.000 -0.616) 0.675 10.064 ( -4.085 0.000 2.590) 4.837 10.226 ( -0.463 0.000 -3.962) 3.989 10.636 ( 0.114 0.000 3.318) 3.320 10.767 ( 0.287 0.000 -2.188) 2.207 10.826 ( -0.080 0.000 -0.522) 0.528 10.828 ( 1.431 0.000 -0.947) 1.715 14.561 ( -0.087 0.000 0.591) 0.597 14.570 ( -0.265 0.000 0.532) 0.595 14.587 ( 0.054 0.000 -0.645) 0.647 14.592 ( 0.296 0.000 -0.491) 0.573======================= Grid point 106 (56/87) =======================q-point: ( 0.14 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.596 ( 0.375 0.000 -3.200) 3.222 0.709 ( 7.105 0.000 2.351) 7.484 0.803 ( 2.937 0.000 -2.137) 3.632 0.814 ( 1.948 0.000 2.550) 3.208 0.930 ( -1.925 0.000 -0.326) 1.952 1.057 ( 2.492 0.000 0.432) 2.529 1.083 ( -4.389 0.000 3.183) 5.421 1.175 ( 0.541 0.000 -0.134) 0.557 1.188 ( 3.632 0.000 1.588) 3.964 1.285 ( -1.117 0.000 2.230) 2.494 1.520 ( -2.043 0.000 -4.131) 4.609 1.553 ( -2.953 0.000 -0.054) 2.954 1.632 ( -1.035 0.000 0.371) 1.099 1.777 ( 4.480 0.000 0.186) 4.484 1.777 ( -2.174 0.000 -0.520) 2.235 1.811 ( 1.535 0.000 -6.507) 6.686 1.978 ( -2.469 0.000 5.291) 5.839 2.052 ( -5.684 0.000 1.795) 5.961 2.085 ( -0.472 0.000 -0.407) 0.623 2.157 ( -1.654 0.000 6.750) 6.950 2.519 ( -0.840 0.000 7.347) 7.395 2.618 ( -0.277 0.000 8.001) 8.005 2.787 ( -2.737 0.000 7.184) 7.688 2.898 ( -3.376 0.000 10.713) 11.232 3.029 ( 4.027 0.000 -5.481) 6.801 3.079 ( 0.894 0.000 -3.633) 3.741 3.640 ( 4.372 0.000 -12.670) 13.403 3.682 ( 3.991 0.000 -12.256) 12.889 4.326 ( 0.188 0.000 4.473) 4.476 4.360 ( 0.886 0.000 1.300) 1.573 4.366 ( 1.232 0.000 -2.695) 2.963 4.392 ( -0.100 0.000 -4.594) 4.595 4.716 ( -0.166 0.000 3.152) 3.157 4.747 ( -2.760 0.000 3.368) 4.355 4.837 ( 0.013 0.000 -1.300) 1.300 4.940 ( 0.574 0.000 -2.396) 2.464 5.172 ( 0.440 0.000 0.329) 0.549 5.257 ( 1.305 0.000 -0.915) 1.594 5.284 ( 0.588 0.000 1.171) 1.311 5.313 ( -1.649 0.000 -1.489) 2.222 9.075 ( -1.293 0.000 2.651) 2.950 9.140 ( -0.962 0.000 1.815) 2.054 9.218 ( 1.176 0.000 -2.518) 2.780 9.260 ( 1.824 0.000 -2.980) 3.494 9.611 ( -2.417 0.000 3.720) 4.436 9.618 ( -2.167 0.000 3.737) 4.319 9.642 ( -0.269 0.000 0.194) 0.332 9.730 ( 1.489 0.000 0.835) 1.707 9.983 ( 0.390 0.000 1.350) 1.405 9.996 ( 0.326 0.000 -0.735) 0.805 10.038 ( -1.700 0.000 5.488) 5.745 10.199 ( 0.077 0.000 -2.711) 2.713 10.651 ( -0.409 0.000 2.455) 2.489 10.755 ( -0.069 0.000 -1.997) 1.998 10.804 ( -1.556 0.000 -1.019) 1.860 10.819 ( -1.324 0.000 -1.277) 1.840 14.562 ( -0.153 0.000 0.622) 0.641 14.567 ( -0.353 0.000 0.505) 0.617 14.584 ( -0.006 0.000 -0.625) 0.625 14.594 ( 0.206 0.000 -0.507) 0.547======================= Grid point 107 (57/87) =======================q-point: ( 0.29 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.571 ( 0.709 0.000 -5.418) 5.464 0.823 ( 3.533 0.000 -0.196) 3.538 0.881 ( 5.233 0.000 -1.416) 5.421 0.895 ( 4.327 0.000 2.003) 4.768 0.918 ( 0.381 0.000 2.007) 2.043 1.006 ( -3.874 0.000 -0.214) 3.880 1.114 ( 3.084 0.000 0.365) 3.105 1.189 ( -0.508 0.000 2.604) 2.653 1.206 ( -2.463 0.000 -0.670) 2.553 1.307 ( 2.460 0.000 1.409) 2.835 1.472 ( 0.022 0.000 -4.191) 4.191 1.475 ( -5.099 0.000 1.458) 5.303 1.614 ( -0.109 0.000 -1.142) 1.147 1.717 ( -4.079 0.000 1.653) 4.402 1.797 ( 1.525 0.000 -6.934) 7.100 1.840 ( 0.028 0.000 -0.882) 0.882 1.942 ( -4.402 0.000 2.627) 5.127 1.973 ( -0.949 0.000 3.481) 3.608 2.098 ( 0.889 0.000 1.451) 1.701 2.165 ( -1.731 0.000 6.420) 6.649 2.564 ( 0.601 0.000 6.741) 6.768 2.663 ( -0.369 0.000 7.028) 7.038 2.787 ( -2.724 0.000 9.139) 9.537 2.891 ( -4.989 0.000 12.395) 13.361 3.058 ( 1.485 0.000 -3.052) 3.394 3.092 ( 4.508 0.000 -8.616) 9.724 3.640 ( 3.871 0.000 -12.281) 12.876 3.679 ( 3.895 0.000 -12.443) 13.038 4.348 ( -0.890 0.000 4.260) 4.352 4.374 ( 1.269 0.000 -4.030) 4.225 4.382 ( 0.525 0.000 0.983) 1.114 4.383 ( 2.306 0.000 -3.201) 3.946 4.710 ( -2.902 0.000 3.873) 4.840 4.737 ( -0.079 0.000 2.644) 2.645 4.828 ( -0.115 0.000 -1.090) 1.096 4.929 ( -0.317 0.000 -1.721) 1.750 5.186 ( 0.734 0.000 0.104) 0.742 5.277 ( -0.215 0.000 -0.602) 0.639 5.287 ( 1.350 0.000 -1.079) 1.728 5.295 ( -0.339 0.000 1.106) 1.156 9.074 ( -0.547 0.000 2.616) 2.672 9.134 ( -0.797 0.000 1.947) 2.103 9.218 ( 0.601 0.000 -2.627) 2.695 9.268 ( 0.923 0.000 -3.141) 3.274 9.582 ( -2.174 0.000 4.450) 4.953 9.635 ( -0.233 0.000 4.826) 4.832 9.646 ( 0.572 0.000 0.125) 0.585 9.756 ( 0.570 0.000 0.843) 1.018 9.996 ( 0.081 0.000 0.904) 0.908 10.004 ( 1.072 0.000 -0.897) 1.398 10.060 ( -0.248 0.000 7.099) 7.104 10.200 ( 1.118 0.000 -0.776) 1.361 10.652 ( -0.947 0.000 1.662) 1.913 10.743 ( 0.201 0.000 -1.997) 2.007 10.763 ( -1.672 0.000 -1.362) 2.156 10.772 ( -2.764 0.000 -0.962) 2.927 14.561 ( -0.352 0.000 0.536) 0.641 14.565 ( -0.203 0.000 0.590) 0.624 14.580 ( 0.067 0.000 -0.568) 0.572 14.593 ( 0.115 0.000 -0.555) 0.566======================= Grid point 108 (58/87) =======================q-point: (-0.57 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.570 ( 1.561 0.000 -2.139) 2.648 0.812 ( -3.457 0.000 -5.031) 6.104 0.928 ( 1.525 0.000 -0.513) 1.609 0.938 ( 0.328 0.000 -0.566) 0.654 0.970 ( 0.148 0.000 1.258) 1.266 1.004 ( 1.844 0.000 6.640) 6.891 1.119 ( -2.598 0.000 -1.931) 3.237 1.194 ( -0.157 0.000 2.920) 2.924 1.195 ( 3.621 0.000 -1.436) 3.895 1.367 ( 3.524 0.000 -1.568) 3.857 1.402 ( -3.109 0.000 2.631) 4.073 1.447 ( -1.062 0.000 -2.242) 2.481 1.626 ( 2.246 0.000 -1.692) 2.812 1.661 ( -2.500 0.000 1.126) 2.742 1.733 ( -7.948 0.000 -0.277) 7.953 1.787 ( 2.010 0.000 -6.319) 6.631 1.955 ( 1.419 0.000 1.438) 2.020 1.989 ( 0.621 0.000 2.711) 2.781 2.132 ( 1.339 0.000 2.369) 2.721 2.171 ( -1.557 0.000 5.162) 5.392 2.612 ( -0.164 0.000 6.096) 6.099 2.686 ( -1.496 0.000 6.106) 6.287 2.798 ( -2.964 0.000 11.447) 11.825 2.869 ( -5.918 0.000 13.934) 15.139 3.055 ( 1.296 0.000 -5.916) 6.056 3.121 ( 3.652 0.000 -7.575) 8.409 3.632 ( 3.387 0.000 -12.093) 12.559 3.677 ( 4.413 0.000 -13.059) 13.785 4.345 ( -1.700 0.000 3.013) 3.460 4.382 ( 1.905 0.000 -3.419) 3.914 4.387 ( -0.705 0.000 0.845) 1.101 4.415 ( 3.084 0.000 -3.243) 4.475 4.684 ( -2.317 0.000 4.075) 4.687 4.751 ( -0.497 0.000 3.305) 3.342 4.822 ( 0.277 0.000 -1.058) 1.093 4.909 ( -0.637 0.000 -1.266) 1.418 5.199 ( 0.627 0.000 0.022) 0.627 5.263 ( -0.245 0.000 -0.796) 0.833 5.284 ( -1.429 0.000 0.838) 1.656 5.327 ( 2.820 0.000 -0.836) 2.941 9.085 ( -0.078 0.000 2.413) 2.415 9.136 ( -0.429 0.000 2.275) 2.315 9.208 ( 0.196 0.000 -2.743) 2.750 9.257 ( 0.087 0.000 -2.942) 2.944 9.582 ( -1.053 0.000 4.787) 4.902 9.660 ( 0.790 0.000 -0.279) 0.838 9.664 ( 0.172 0.000 4.521) 4.524 9.761 ( -0.387 0.000 0.330) 0.508 9.997 ( -0.602 0.000 0.899) 1.082 10.020 ( 1.004 0.000 -1.024) 1.434 10.119 ( 1.840 0.000 7.049) 7.285 10.226 ( 1.650 0.000 0.145) 1.656 10.634 ( -1.883 0.000 0.591) 1.974 10.711 ( -3.027 0.000 0.381) 3.051 10.731 ( 0.299 0.000 -2.826) 2.842 10.744 ( 0.395 0.000 -0.557) 0.683 14.558 ( -0.293 0.000 0.527) 0.603 14.565 ( -0.169 0.000 0.588) 0.612 14.579 ( 0.197 0.000 -0.530) 0.565 14.592 ( 0.109 0.000 -0.587) 0.597======================= Grid point 109 (59/87) =======================q-point: (-0.43 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.595 ( 0.731 0.000 2.599) 2.700 0.678 ( -6.369 0.000 -4.851) 8.006 0.880 ( -5.063 0.000 0.101) 5.064 0.900 ( -4.920 0.000 0.853) 4.993 1.009 ( 3.635 0.000 2.032) 4.164 1.078 ( 1.560 0.000 4.533) 4.794 1.078 ( -0.711 0.000 -2.680) 2.773 1.216 ( 0.365 0.000 2.581) 2.607 1.221 ( -1.009 0.000 -2.165) 2.389 1.393 ( -1.188 0.000 1.890) 2.232 1.422 ( 3.211 0.000 3.239) 4.561 1.449 ( 5.002 0.000 -5.289) 7.279 1.572 ( -8.300 0.000 -0.097) 8.301 1.641 ( 0.708 0.000 -1.170) 1.367 1.669 ( 2.727 0.000 -1.400) 3.065 1.800 ( 2.641 0.000 -4.240) 4.996 1.978 ( 0.509 0.000 0.155) 0.532 2.024 ( 1.222 0.000 2.126) 2.452 2.165 ( -2.124 0.000 3.530) 4.120 2.171 ( 1.061 0.000 2.346) 2.575 2.621 ( -2.746 0.000 5.580) 6.219 2.689 ( -2.245 0.000 6.005) 6.410 2.817 ( -3.109 0.000 13.069) 13.433 2.847 ( -5.764 0.000 14.868) 15.946 3.034 ( 1.541 0.000 -9.211) 9.339 3.133 ( 1.894 0.000 -5.100) 5.441 3.621 ( 3.618 0.000 -12.189) 12.714 3.680 ( 4.635 0.000 -13.635) 14.401 4.325 ( -2.021 0.000 1.970) 2.823 4.367 ( -1.688 0.000 0.567) 1.781 4.396 ( 1.361 0.000 -2.625) 2.957 4.453 ( 2.906 0.000 -3.379) 4.457 4.673 ( -1.684 0.000 4.519) 4.822 4.760 ( -1.008 0.000 4.127) 4.249 4.828 ( 1.206 0.000 -1.260) 1.744 4.891 ( -0.323 0.000 -1.346) 1.384 5.210 ( 0.470 0.000 0.108) 0.483 5.253 ( -2.149 0.000 0.493) 2.205 5.256 ( 0.042 0.000 -1.029) 1.030 5.375 ( 2.756 0.000 -1.493) 3.134 9.099 ( -0.051 0.000 2.264) 2.264 9.144 ( -0.396 0.000 2.411) 2.443 9.194 ( 0.215 0.000 -2.813) 2.821 9.239 ( -0.117 0.000 -2.543) 2.546 9.597 ( -0.562 0.000 4.419) 4.454 9.670 ( 0.564 0.000 -0.765) 0.951 9.695 ( 0.237 0.000 3.660) 3.668 9.749 ( -0.953 0.000 -0.098) 0.958 9.986 ( -1.023 0.000 0.799) 1.298 10.026 ( 0.287 0.000 -0.870) 0.916 10.213 ( 3.879 0.000 3.896) 5.498 10.256 ( 1.595 0.000 -0.929) 1.846 10.583 ( -3.475 0.000 1.003) 3.617 10.679 ( -1.291 0.000 2.550) 2.858 10.735 ( 1.823 0.000 -2.458) 3.060 10.756 ( 1.104 0.000 -0.492) 1.209 14.557 ( -0.183 0.000 0.525) 0.556 14.566 ( -0.117 0.000 0.578) 0.590 14.581 ( 0.299 0.000 -0.535) 0.612 14.591 ( 0.181 0.000 -0.583) 0.610======================= Grid point 110 (60/87) =======================q-point: (-0.29 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.539 ( -4.967 0.000 -2.848) 5.725 0.625 ( -1.023 0.000 6.329) 6.411 0.796 ( -3.229 0.000 1.785) 3.689 0.807 ( -4.291 0.000 0.225) 4.297 1.042 ( -1.600 0.000 -1.380) 2.113 1.092 ( 1.005 0.000 2.829) 3.002 1.119 ( 2.165 0.000 3.244) 3.900 1.144 ( -4.319 0.000 -2.598) 5.040 1.238 ( -1.662 0.000 5.366) 5.617 1.375 ( -0.744 0.000 -2.309) 2.426 1.434 ( -3.684 0.000 -3.388) 5.005 1.519 ( 3.869 0.000 -1.923) 4.321 1.525 ( 4.660 0.000 2.516) 5.296 1.683 ( 4.353 0.000 -1.333) 4.552 1.706 ( 1.543 0.000 -0.227) 1.559 1.821 ( 1.762 0.000 -3.056) 3.527 1.986 ( 0.808 0.000 -0.305) 0.863 2.059 ( 1.188 0.000 1.910) 2.249 2.132 ( -3.408 0.000 2.569) 4.268 2.197 ( 0.163 0.000 1.847) 1.854 2.589 ( -4.155 0.000 5.841) 7.168 2.668 ( -4.008 0.000 6.049) 7.256 2.833 ( -3.722 0.000 10.118) 10.781 2.845 ( -4.479 0.000 17.307) 17.877 3.004 ( 2.124 0.000 -10.943) 11.148 3.131 ( 0.436 0.000 -2.799) 2.833 3.619 ( 4.325 0.000 -12.319) 13.056 3.680 ( 4.431 0.000 -13.893) 14.583 4.297 ( -1.909 0.000 1.668) 2.535 4.339 ( -1.531 0.000 0.834) 1.743 4.397 ( 0.285 0.000 -2.003) 2.023 4.475 ( 1.633 0.000 -3.717) 4.060 4.675 ( -1.212 0.000 4.704) 4.857 4.767 ( -1.124 0.000 4.707) 4.839 4.845 ( 0.939 0.000 -0.965) 1.347 4.887 ( 1.404 0.000 -2.531) 2.894 5.214 ( -2.093 0.000 0.303) 2.115 5.221 ( 0.543 0.000 0.389) 0.668 5.250 ( 0.031 0.000 -1.258) 1.259 5.404 ( 1.478 0.000 -2.574) 2.969 9.108 ( -0.529 0.000 2.202) 2.265 9.148 ( -0.695 0.000 2.345) 2.445 9.185 ( 0.817 0.000 -2.778) 2.896 9.225 ( 0.315 0.000 -2.201) 2.223 9.611 ( -0.691 0.000 3.665) 3.730 9.672 ( 0.278 0.000 -0.940) 0.980 9.716 ( -0.190 0.000 2.853) 2.859 9.725 ( -1.338 0.000 -0.389) 1.393 9.971 ( -0.893 0.000 0.636) 1.096 10.021 ( -0.236 0.000 -0.638) 0.681 10.258 ( -0.853 0.000 -3.392) 3.497 10.270 ( 0.969 0.000 -2.762) 2.927 10.561 ( -0.103 0.000 5.288) 5.289 10.696 ( 1.502 0.000 3.274) 3.602 10.758 ( 1.821 0.000 -2.512) 3.103 10.781 ( 1.770 0.000 -0.050) 1.771 14.557 ( -0.120 0.000 0.510) 0.524 14.568 ( -0.072 0.000 0.591) 0.595 14.584 ( 0.355 0.000 -0.539) 0.646 14.591 ( 0.217 0.000 -0.586) 0.625======================= Grid point 111 (61/87) =======================q-point: (-0.14 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.486 ( 0.654 0.000 0.390) 0.762 0.607 ( -4.589 0.000 7.335) 8.652 0.758 ( -0.631 0.000 -0.426) 0.762 0.808 ( 2.059 0.000 0.869) 2.235 1.016 ( -0.345 0.000 0.098) 0.359 1.061 ( -2.130 0.000 -1.024) 2.364 1.096 ( -1.084 0.000 1.199) 1.616 1.130 ( -5.972 0.000 4.752) 7.632 1.214 ( -2.010 0.000 4.997) 5.386 1.339 ( -1.009 0.000 -3.272) 3.424 1.444 ( 6.105 0.000 -3.586) 7.081 1.565 ( 1.926 0.000 -0.775) 2.076 1.605 ( 2.530 0.000 0.812) 2.657 1.722 ( 0.015 0.000 0.371) 0.371 1.761 ( 3.851 0.000 -1.093) 4.003 1.823 ( 0.863 0.000 -3.860) 3.956 2.016 ( 2.315 0.000 0.075) 2.316 2.071 ( -4.488 0.000 3.477) 5.677 2.098 ( 0.962 0.000 3.232) 3.372 2.197 ( -1.370 0.000 1.410) 1.966 2.545 ( -4.402 0.000 6.548) 7.891 2.620 ( -4.748 0.000 6.591) 8.123 2.820 ( -3.689 0.000 8.317) 9.098 2.870 ( -3.701 0.000 14.996) 15.446 2.983 ( 2.894 0.000 -10.182) 10.585 3.116 ( -0.605 0.000 -1.350) 1.480 3.628 ( 4.667 0.000 -12.628) 13.463 3.677 ( 4.427 0.000 -13.478) 14.186 4.281 ( -0.988 0.000 2.534) 2.720 4.326 ( -0.460 0.000 1.310) 1.388 4.384 ( -0.285 0.000 -1.879) 1.901 4.466 ( 0.073 0.000 -4.173) 4.174 4.685 ( -0.753 0.000 4.293) 4.358 4.775 ( -1.246 0.000 4.591) 4.757 4.847 ( 0.170 0.000 -1.058) 1.072 4.911 ( 2.627 0.000 -3.238) 4.169 5.182 ( -1.388 0.000 0.426) 1.452 5.237 ( 0.871 0.000 0.723) 1.132 5.243 ( 0.195 0.000 -1.255) 1.270 5.396 ( -0.388 0.000 -3.019) 3.043 9.104 ( -1.359 0.000 2.288) 2.661 9.148 ( -0.803 0.000 2.180) 2.323 9.191 ( 1.560 0.000 -2.717) 3.133 9.225 ( 1.130 0.000 -2.098) 2.383 9.614 ( -1.190 0.000 3.168) 3.384 9.670 ( -0.111 0.000 -0.428) 0.442 9.698 ( -0.892 0.000 -0.633) 1.094 9.717 ( -1.547 0.000 2.033) 2.555 9.964 ( -0.291 0.000 0.751) 0.806 10.011 ( -0.413 0.000 -0.553) 0.690 10.162 ( -5.684 0.000 -2.224) 6.103 10.257 ( 0.002 0.000 -3.968) 3.968 10.606 ( 0.656 0.000 4.293) 4.342 10.769 ( 1.002 0.000 -2.338) 2.544 10.773 ( 3.995 0.000 1.344) 4.215 10.814 ( 1.457 0.000 -0.188) 1.469 14.559 ( -0.087 0.000 0.536) 0.543 14.570 ( -0.127 0.000 0.577) 0.591 14.587 ( 0.350 0.000 -0.530) 0.635 14.591 ( 0.166 0.000 -0.602) 0.625======================= Grid point 112 (62/87) =======================q-point: ( 0.00 0.25 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.600 ( 4.217 3.089 2.507) 5.797 0.623 ( -1.141 2.896 3.090) 4.386 0.717 ( 1.133 -3.385 -0.571) 3.615 0.784 ( 1.557 -2.198 -3.633) 4.522 0.952 ( 1.044 -4.132 2.572) 4.978 1.014 ( 0.302 -3.140 3.607) 4.792 1.072 ( -3.488 2.801 -1.521) 4.725 1.171 ( 0.942 0.925 0.244) 1.342 1.200 ( -2.696 1.702 2.069) 3.801 1.296 ( 0.560 -1.324 -2.685) 3.046 1.499 ( 1.970 -1.993 0.845) 2.927 1.553 ( -0.256 -1.990 -1.127) 2.301 1.665 ( -0.940 2.449 1.350) 2.950 1.740 ( 0.499 0.435 -0.010) 0.662 1.811 ( 0.339 1.578 -1.269) 2.053 1.843 ( 2.036 1.877 -4.274) 5.093 2.012 ( -2.063 0.231 4.164) 4.653 2.062 ( 0.323 -0.094 -0.198) 0.390 2.122 ( 0.194 -1.051 5.451) 5.555 2.141 ( -4.191 -1.201 1.663) 4.666 2.527 ( -3.174 1.306 7.470) 8.221 2.582 ( -2.741 -0.942 7.840) 8.359 2.815 ( -2.906 1.355 6.954) 7.658 2.880 ( -2.669 -0.975 9.809) 10.212 3.002 ( 2.937 1.102 -5.649) 6.462 3.075 ( -0.176 -1.682 -1.600) 2.328 3.641 ( 4.531 0.595 -12.902) 13.687 3.673 ( 4.442 -0.642 -12.719) 13.488 4.295 ( 0.484 0.230 2.916) 2.965 4.326 ( 0.675 -0.891 1.453) 1.833 4.388 ( -0.329 1.596 -2.090) 2.650 4.431 ( -0.811 -0.145 -3.836) 3.924 4.709 ( -0.649 0.914 3.625) 3.795 4.759 ( -1.824 -1.062 3.859) 4.398 4.859 ( 0.523 1.417 -1.728) 2.295 4.923 ( 1.686 -1.098 -2.898) 3.528 5.182 ( -0.114 1.307 0.568) 1.430 5.245 ( 0.723 -0.915 0.576) 1.300 5.264 ( 0.380 1.215 -0.826) 1.517 5.341 ( -1.401 -1.573 -2.106) 2.979 9.090 ( -1.438 0.242 2.252) 2.683 9.127 ( -0.636 -1.394 1.627) 2.235 9.217 ( 1.300 0.734 -2.176) 2.639 9.237 ( 1.687 -0.284 -2.340) 2.899 9.626 ( -1.396 1.345 3.161) 3.707 9.662 ( -0.999 0.544 0.277) 1.171 9.674 ( -3.151 -0.210 1.916) 3.694 9.696 ( 0.369 -0.361 0.119) 0.530 9.967 ( -0.154 0.159 1.703) 1.717 10.000 ( -1.002 -0.512 1.498) 1.874 10.087 ( -2.550 2.293 -0.310) 3.443 10.203 ( -0.648 -2.159 -3.723) 4.352 10.648 ( 0.236 1.194 3.131) 3.359 10.743 ( 0.377 -2.397 -0.329) 2.448 10.817 ( 0.932 -0.378 -1.171) 1.543 10.825 ( 0.380 -0.366 -0.993) 1.124 14.562 ( -0.109 0.117 0.578) 0.599 14.568 ( -0.232 -0.147 0.531) 0.598 14.588 ( 0.083 0.077 -0.615) 0.626 14.591 ( 0.257 -0.044 -0.511) 0.574======================= Grid point 113 (63/87) =======================q-point: ( 0.14 0.25 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.618 ( 0.232 2.538 -1.111) 2.780 0.723 ( 5.365 -1.258 0.393) 5.525 0.728 ( 2.637 -0.905 -0.389) 2.815 0.837 ( 4.983 -1.910 -2.298) 5.811 0.954 ( -3.358 1.442 0.712) 3.724 1.020 ( 2.280 -0.439 3.804) 4.457 1.050 ( -2.926 -3.085 -0.471) 4.278 1.146 ( 0.943 -2.575 -0.882) 2.881 1.237 ( 2.681 3.213 1.321) 4.388 1.302 ( 0.699 0.711 0.638) 1.184 1.488 ( -2.420 -1.937 -1.578) 3.478 1.530 ( -1.157 -2.532 -0.299) 2.800 1.641 ( -3.002 2.220 1.955) 4.214 1.766 ( 0.753 -0.644 0.795) 1.270 1.793 ( -0.157 1.849 -2.455) 3.077 1.845 ( 1.356 0.884 -4.225) 4.524 1.989 ( -3.008 0.299 2.480) 3.910 2.044 ( -4.529 -1.757 0.755) 4.916 2.072 ( -1.390 1.034 2.538) 3.073 2.152 ( -1.149 -0.834 6.709) 6.858 2.535 ( -0.969 1.456 7.487) 7.689 2.602 ( -0.739 -1.386 8.123) 8.273 2.811 ( -2.185 2.045 7.206) 7.803 2.890 ( -2.685 -0.928 9.256) 9.682 3.032 ( 3.372 0.432 -4.525) 5.659 3.069 ( 1.292 -0.878 -3.535) 3.865 3.645 ( 4.337 0.551 -12.647) 13.381 3.675 ( 4.071 -0.626 -12.368) 13.036 4.327 ( 0.677 0.190 3.025) 3.106 4.350 ( 0.853 -0.721 0.613) 1.274 4.378 ( 0.768 0.878 -1.901) 2.230 4.396 ( -0.304 0.184 -3.214) 3.233 4.719 ( -0.594 0.293 3.200) 3.268 4.741 ( -2.387 -0.549 3.336) 4.138 4.855 ( 0.199 1.666 -1.594) 2.314 4.928 ( 0.577 -1.163 -2.357) 2.691 5.188 ( 0.288 1.431 0.442) 1.525 5.258 ( 0.566 -0.607 -0.003) 0.830 5.273 ( 0.575 -0.203 -0.023) 0.611 5.306 ( -0.824 -0.660 -1.161) 1.570 9.080 ( -1.138 0.494 2.389) 2.692 9.123 ( -0.822 -1.351 1.643) 2.280 9.227 ( 1.133 0.715 -2.298) 2.660 9.255 ( 1.673 -0.523 -2.760) 3.269 9.616 ( -2.342 0.369 3.605) 4.314 9.621 ( -2.755 0.195 3.336) 4.331 9.659 ( 0.266 1.523 0.809) 1.745 9.721 ( 1.282 -0.921 0.950) 1.842 9.980 ( 0.260 0.172 1.854) 1.880 10.003 ( -0.014 -0.123 2.382) 2.385 10.058 ( -1.061 2.158 1.451) 2.809 10.175 ( -0.123 -2.296 -2.423) 3.341 10.663 ( -0.345 1.155 2.119) 2.438 10.739 ( -0.170 -1.598 -0.834) 1.811 10.801 ( -1.332 -0.180 -1.510) 2.022 10.812 ( -1.115 -0.548 -1.312) 1.807 14.563 ( -0.185 0.052 0.597) 0.627 14.566 ( -0.325 -0.086 0.507) 0.608 14.585 ( 0.027 0.155 -0.593) 0.614 14.592 ( 0.177 -0.120 -0.519) 0.561======================= Grid point 114 (64/87) =======================q-point: ( 0.29 0.25 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.607 ( 0.746 3.625 -4.158) 5.567 0.788 ( 4.018 -2.960 -0.718) 5.042 0.820 ( 3.561 -2.339 -1.084) 4.397 0.909 ( 1.898 -3.095 -1.628) 3.978 0.934 ( 1.243 0.219 2.329) 2.649 0.953 ( -3.626 -1.809 -2.051) 4.541 1.104 ( 3.527 0.667 3.780) 5.213 1.182 ( 1.447 -1.020 0.978) 2.022 1.270 ( -0.432 3.673 -0.072) 3.699 1.332 ( 1.762 1.734 1.523) 2.904 1.423 ( -3.368 -1.302 -0.444) 3.638 1.511 ( 0.067 0.576 -2.657) 2.720 1.593 ( -1.695 -0.900 0.471) 1.976 1.722 ( -4.170 -0.743 1.671) 4.553 1.805 ( 1.444 1.381 -4.032) 4.500 1.842 ( -1.596 0.083 -2.066) 2.612 1.910 ( -2.836 -1.568 -0.039) 3.241 1.991 ( -1.568 -0.954 0.774) 1.992 2.085 ( 0.042 0.973 4.646) 4.747 2.168 ( -1.731 -0.529 7.201) 7.425 2.575 ( 0.177 1.078 6.788) 6.875 2.640 ( -0.735 -1.764 7.381) 7.625 2.820 ( -2.246 2.554 8.707) 9.347 2.889 ( -4.277 -0.360 11.344) 12.128 3.060 ( 1.869 0.273 -3.435) 3.920 3.084 ( 3.987 -0.683 -7.644) 8.648 3.646 ( 3.903 0.524 -12.329) 12.943 3.673 ( 3.928 -0.542 -12.451) 13.068 4.346 ( -0.516 -0.042 2.263) 2.321 4.363 ( 0.380 -0.791 -0.550) 1.036 4.386 ( 1.630 0.671 -2.589) 3.133 4.395 ( 1.536 0.421 -1.051) 1.909 4.712 ( -2.443 0.234 3.663) 4.409 4.731 ( -0.528 -0.523 2.777) 2.875 4.847 ( -0.075 1.695 -1.240) 2.101 4.918 ( -0.270 -1.095 -1.714) 2.052 5.197 ( 0.471 1.082 0.183) 1.194 5.258 ( -0.587 -1.477 -0.007) 1.590 5.289 ( 1.621 0.279 -0.702) 1.789 5.300 ( 0.001 0.087 0.225) 0.241 9.079 ( -0.528 0.474 2.376) 2.480 9.119 ( -0.660 -1.231 1.761) 2.248 9.229 ( 0.612 0.849 -2.410) 2.628 9.262 ( 0.886 -0.562 -2.906) 3.090 9.590 ( -2.007 0.727 4.396) 4.887 9.619 ( -0.675 -0.712 3.675) 3.804 9.677 ( 0.683 1.987 1.337) 2.490 9.746 ( 0.614 -1.003 0.932) 1.500 9.997 ( 0.275 0.503 1.621) 1.719 10.021 ( 0.740 0.614 0.534) 1.101 10.065 ( -0.084 1.055 4.636) 4.755 10.173 ( 0.937 -2.468 -0.529) 2.692 10.662 ( -0.976 0.998 1.363) 1.951 10.729 ( -0.641 -1.542 -0.472) 1.735 10.759 ( -1.434 0.094 -2.302) 2.714 10.772 ( -1.882 -0.176 -1.285) 2.285 14.561 ( -0.331 0.032 0.533) 0.628 14.564 ( -0.225 -0.085 0.553) 0.603 14.583 ( 0.074 0.206 -0.538) 0.580 14.592 ( 0.108 -0.153 -0.547) 0.578======================= Grid point 115 (65/87) =======================q-point: (-0.57 0.25 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.603 ( 0.832 3.267 -2.073) 3.958 0.797 ( -3.833 -1.210 -4.330) 5.908 0.846 ( -2.174 -6.863 -0.061) 7.200 0.858 ( 2.315 -4.473 -1.640) 5.297 0.973 ( 3.494 0.602 1.254) 3.761 1.007 ( 1.403 -0.260 2.031) 2.483 1.176 ( 0.217 2.246 4.316) 4.870 1.214 ( 2.784 0.766 0.084) 2.888 1.241 ( -1.332 4.020 -0.606) 4.278 1.335 ( -2.422 -2.557 0.676) 3.586 1.388 ( -0.202 2.082 -0.576) 2.170 1.494 ( 1.350 2.818 -3.156) 4.441 1.608 ( 1.479 -3.152 -0.645) 3.541 1.659 ( -2.633 -1.860 1.065) 3.395 1.737 ( -5.696 2.442 -0.007) 6.197 1.795 ( 1.077 0.821 -5.019) 5.198 1.925 ( 1.855 -1.487 -0.101) 2.380 1.987 ( 0.802 -2.058 -0.392) 2.243 2.123 ( 0.483 0.645 5.370) 5.431 2.176 ( -1.992 -0.289 6.460) 6.767 2.614 ( -0.592 0.336 6.091) 6.129 2.661 ( -1.616 -1.773 6.584) 7.007 2.831 ( -3.053 2.352 10.620) 11.298 2.873 ( -5.428 0.242 13.226) 14.298 3.063 ( 1.653 0.793 -5.963) 6.238 3.110 ( 3.374 -1.031 -7.192) 8.010 3.639 ( 3.543 0.638 -12.228) 12.747 3.671 ( 4.271 -0.608 -12.912) 13.614 4.342 ( -1.435 -0.222 2.276) 2.700 4.357 ( -0.573 -1.130 -0.110) 1.272 4.411 ( 1.940 1.047 -2.215) 3.125 4.421 ( 2.665 0.442 -2.766) 3.866 4.693 ( -1.970 0.834 3.909) 4.456 4.739 ( -0.696 -1.049 3.274) 3.508 4.839 ( 0.061 1.482 -1.008) 1.794 4.899 ( -0.563 -0.968 -1.260) 1.686 5.206 ( 0.351 0.646 0.050) 0.737 5.246 ( -0.600 -1.143 -0.189) 1.305 5.298 ( -0.336 0.873 0.183) 0.953 5.323 ( 2.336 -0.353 -0.652) 2.451 9.088 ( -0.118 0.335 2.262) 2.290 9.121 ( -0.351 -1.136 1.967) 2.298 9.221 ( 0.189 0.945 -2.439) 2.623 9.252 ( 0.122 -0.456 -2.781) 2.821 9.593 ( -0.888 0.945 4.609) 4.788 9.636 ( 0.100 -1.110 3.004) 3.204 9.697 ( 0.510 1.827 1.379) 2.345 9.754 ( -0.210 -0.725 0.433) 0.870 10.005 ( -0.490 0.929 1.391) 1.743 10.035 ( 0.725 0.952 -0.584) 1.331 10.114 ( 1.726 -0.035 5.768) 6.021 10.200 ( 1.733 -2.421 0.424) 3.007 10.640 ( -2.098 0.671 0.663) 2.300 10.694 ( -2.720 -1.457 0.550) 3.134 10.735 ( 0.391 0.326 -2.616) 2.665 10.746 ( 0.193 -0.011 -1.006) 1.024 14.559 ( -0.271 0.075 0.526) 0.597 14.564 ( -0.176 -0.135 0.547) 0.590 14.582 ( 0.173 0.200 -0.506) 0.570 14.590 ( 0.118 -0.141 -0.568) 0.597======================= Grid point 116 (66/87) =======================q-point: (-0.43 0.25 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.610 ( -0.210 1.447 1.781) 2.305 0.676 ( -5.150 0.386 -3.008) 5.977 0.794 ( -3.428 -4.804 -0.248) 5.907 0.896 ( 2.592 -6.294 -0.668) 6.839 0.968 ( -5.455 1.987 0.521) 5.829 1.035 ( 1.162 -1.256 1.009) 1.986 1.191 ( -0.977 3.837 3.393) 5.214 1.230 ( -0.334 3.380 -0.872) 3.507 1.246 ( -0.564 0.713 0.570) 1.073 1.323 ( 1.373 -2.935 0.984) 3.386 1.387 ( 2.008 -1.657 -0.790) 2.720 1.520 ( -2.291 -2.411 -2.814) 4.357 1.554 ( 0.506 3.181 0.359) 3.241 1.675 ( 0.456 2.128 -0.881) 2.348 1.696 ( 2.455 2.660 0.491) 3.653 1.798 ( 2.124 -0.280 -4.054) 4.586 1.952 ( 1.160 -1.610 -0.570) 2.065 2.004 ( 1.401 -2.425 -1.227) 3.058 2.165 ( 0.432 -0.002 4.705) 4.724 2.169 ( -2.591 0.048 4.907) 5.549 2.620 ( -2.717 0.103 5.888) 6.485 2.665 ( -2.230 -1.831 6.130) 6.775 2.837 ( -3.860 1.448 12.747) 13.397 2.855 ( -5.345 0.550 13.936) 14.936 3.049 ( 1.586 1.392 -8.395) 8.656 3.119 ( 1.779 -1.369 -5.493) 5.934 3.630 ( 3.764 0.840 -12.350) 12.939 3.672 ( 4.479 -0.787 -13.377) 14.129 4.320 ( -2.034 -0.274 1.723) 2.680 4.341 ( -1.353 -1.374 0.840) 2.103 4.427 ( 1.431 1.772 -2.758) 3.577 4.456 ( 2.744 0.184 -3.332) 4.321 4.686 ( -1.492 1.194 4.362) 4.762 4.746 ( -0.907 -1.211 3.972) 4.250 4.840 ( 0.766 0.992 -1.114) 1.677 4.883 ( -0.200 -0.763 -1.305) 1.525 5.211 ( 0.146 0.130 0.066) 0.207 5.229 ( -1.091 -0.924 -0.114) 1.434 5.291 ( -0.245 1.986 -0.443) 2.050 5.363 ( 2.263 -1.136 -1.234) 2.817 9.100 ( -0.135 0.151 2.117) 2.127 9.127 ( -0.380 -1.159 1.842) 2.209 9.209 ( 0.197 1.020 -2.235) 2.465 9.236 ( -0.034 -0.280 -2.422) 2.438 9.609 ( -0.351 1.105 4.070) 4.232 9.656 ( 0.380 -0.981 1.539) 1.865 9.712 ( 0.125 1.227 1.600) 2.020 9.746 ( -0.746 -0.303 0.072) 0.808 9.997 ( -1.095 1.237 1.162) 2.019 10.039 ( 0.085 0.811 -0.541) 0.979 10.193 ( 3.162 -1.339 3.032) 4.580 10.236 ( 1.940 -1.894 -0.702) 2.801 10.592 ( -3.165 0.937 1.510) 3.630 10.659 ( -1.719 -1.713 2.502) 3.486 10.740 ( 1.689 0.412 -2.287) 2.873 10.755 ( 1.269 -0.134 -0.899) 1.561 14.558 ( -0.169 0.105 0.523) 0.560 14.564 ( -0.114 -0.160 0.542) 0.576 14.583 ( 0.269 0.163 -0.512) 0.601 14.589 ( 0.194 -0.110 -0.566) 0.608======================= Grid point 117 (67/87) =======================q-point: (-0.29 0.25 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.557 ( -3.605 1.670 -1.187) 4.147 0.643 ( -0.750 0.957 4.932) 5.080 0.742 ( -0.814 -2.646 -0.332) 2.788 0.843 ( -7.318 2.658 1.074) 7.860 0.938 ( 1.932 -6.950 -1.199) 7.312 1.025 ( -2.651 -4.756 0.809) 5.504 1.170 ( -1.829 1.690 0.338) 2.513 1.204 ( -1.352 5.205 1.573) 5.603 1.250 ( -1.053 -0.187 3.116) 3.294 1.357 ( 0.406 0.406 -0.583) 0.818 1.400 ( -1.175 -3.350 -2.963) 4.624 1.472 ( 2.832 -2.850 0.549) 4.055 1.620 ( 3.569 6.122 0.093) 7.087 1.708 ( 3.367 2.214 -0.923) 4.134 1.742 ( 1.953 2.588 -0.441) 3.272 1.814 ( 1.446 -0.869 -2.429) 2.957 1.968 ( 1.392 -1.481 -1.065) 2.295 2.026 ( 1.737 -3.087 -0.870) 3.648 2.138 ( -3.451 0.924 3.666) 5.119 2.193 ( -0.342 -0.667 3.266) 3.351 2.593 ( -3.947 0.519 6.166) 7.340 2.648 ( -3.699 -1.702 6.184) 7.405 2.842 ( -3.946 0.706 10.480) 11.220 2.850 ( -4.600 0.352 16.104) 16.752 3.021 ( 1.588 1.676 -9.446) 9.724 3.110 ( 0.445 -1.839 -3.643) 4.105 3.629 ( 4.323 0.872 -12.489) 13.244 3.671 ( 4.401 -0.790 -13.609) 14.324 4.292 ( -1.814 -0.184 1.632) 2.446 4.321 ( -1.282 -1.225 1.212) 2.148 4.428 ( 0.357 2.149 -2.534) 3.342 4.476 ( 1.468 -0.087 -3.567) 3.859 4.690 ( -1.154 1.340 4.562) 4.893 4.754 ( -1.049 -1.180 4.531) 4.798 4.851 ( 0.950 0.561 -1.125) 1.576 4.881 ( 1.312 -0.572 -2.303) 2.712 5.205 ( -1.216 -0.302 0.026) 1.253 5.216 ( 0.220 -0.433 0.318) 0.581 5.283 ( -0.221 2.551 -1.058) 2.770 5.386 ( 1.116 -1.731 -2.177) 2.997 9.106 ( -0.566 -0.076 1.959) 2.040 9.128 ( -0.560 -1.257 1.474) 2.016 9.203 ( 0.602 1.072 -1.865) 2.233 9.224 ( 0.353 -0.079 -2.029) 2.061 9.625 ( -0.435 1.217 3.127) 3.384 9.667 ( 0.228 -0.532 0.163) 0.601 9.721 ( -0.605 0.423 1.865) 2.006 9.728 ( -0.950 0.225 0.077) 0.980 9.981 ( -1.263 1.160 0.983) 1.976 10.032 ( -0.498 0.520 -0.385) 0.817 10.231 ( -0.185 -1.843 -2.684) 3.261 10.254 ( 0.866 -1.578 -3.003) 3.501 10.574 ( -0.325 1.294 5.069) 5.242 10.665 ( 0.492 -2.544 3.911) 4.692 10.762 ( 1.983 0.427 -2.262) 3.038 10.781 ( 1.870 -0.189 -0.674) 1.996 14.559 ( -0.109 0.128 0.513) 0.539 14.566 ( -0.068 -0.179 0.553) 0.585 14.585 ( 0.325 0.126 -0.519) 0.625 14.590 ( 0.235 -0.076 -0.569) 0.620======================= Grid point 118 (68/87) =======================q-point: (-0.14 0.25 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.529 ( 1.103 3.379 0.780) 3.640 0.647 ( -2.177 1.780 4.940) 5.684 0.720 ( -3.523 -1.280 1.191) 3.933 0.778 ( 1.773 -1.177 -0.959) 2.334 0.946 ( -0.847 -4.986 -0.203) 5.062 0.984 ( -0.402 -6.037 1.052) 6.141 1.151 ( -0.338 2.881 -0.233) 2.910 1.166 ( -4.388 2.724 1.842) 5.484 1.238 ( -2.583 1.193 4.582) 5.394 1.315 ( -0.589 -2.043 -3.869) 4.414 1.434 ( 3.809 -0.016 -0.580) 3.853 1.533 ( 2.715 -2.652 -0.479) 3.825 1.665 ( 0.732 4.651 0.529) 4.737 1.741 ( 0.117 0.993 0.004) 1.000 1.787 ( 2.793 2.303 -0.518) 3.657 1.824 ( 1.903 0.144 -3.373) 3.876 1.998 ( 1.843 -1.449 0.064) 2.345 2.060 ( 1.156 -2.864 1.108) 3.282 2.096 ( -2.508 1.981 3.886) 5.032 2.188 ( -2.051 -1.165 2.241) 3.253 2.555 ( -4.219 0.941 6.797) 8.055 2.608 ( -4.445 -1.150 6.761) 8.173 2.829 ( -3.698 0.884 8.729) 9.521 2.867 ( -3.586 -0.451 13.537) 14.011 2.998 ( 2.073 1.528 -8.296) 8.687 3.093 ( -0.348 -2.082 -2.076) 2.961 3.635 ( 4.595 0.699 -12.731) 13.553 3.670 ( 4.430 -0.656 -13.342) 14.073 4.279 ( -0.717 0.095 2.295) 2.407 4.313 ( -0.317 -1.059 1.431) 1.808 4.411 ( -0.477 2.081 -2.204) 3.068 4.465 ( -0.082 -0.244 -3.791) 3.800 4.698 ( -0.863 1.256 4.248) 4.513 4.762 ( -1.226 -1.203 4.448) 4.768 4.857 ( 0.627 0.919 -1.406) 1.793 4.902 ( 2.367 -0.835 -3.016) 3.924 5.187 ( -0.725 0.580 0.364) 0.997 5.227 ( 0.632 -0.888 0.606) 1.247 5.270 ( -0.207 2.306 -1.274) 2.643 5.376 ( -0.500 -1.902 -2.588) 3.251 9.102 ( -1.160 -0.085 2.014) 2.326 9.127 ( -0.487 -1.357 1.466) 2.056 9.207 ( 1.043 0.965 -1.924) 2.392 9.225 ( 1.000 -0.050 -1.953) 2.195 9.630 ( -0.917 1.331 2.574) 3.039 9.670 ( 0.112 -0.233 -0.045) 0.262 9.700 ( -1.513 0.396 0.236) 1.582 9.719 ( -1.490 -0.009 1.472) 2.095 9.967 ( -0.815 0.616 1.216) 1.588 10.016 ( -1.014 -0.106 0.042) 1.021 10.161 ( -3.955 0.414 -2.777) 4.850 10.237 ( -0.191 -1.862 -3.965) 4.385 10.615 ( 0.699 1.035 4.346) 4.522 10.717 ( 1.902 -3.453 2.315) 4.572 10.789 ( 2.253 0.591 -1.665) 2.863 10.811 ( 1.573 -0.353 -0.702) 1.758 14.560 ( -0.087 0.141 0.534) 0.559 14.568 ( -0.109 -0.183 0.554) 0.594 14.588 ( 0.313 0.074 -0.525) 0.615 14.590 ( 0.187 -0.028 -0.586) 0.616======================= Grid point 119 (69/87) =======================q-point: ( 0.00 -0.50 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.651 ( 4.131 -2.884 -1.295) 5.202 0.651 ( 4.131 2.884 -1.295) 5.202 0.718 ( -2.246 -5.003 1.065) 5.587 0.718 ( -2.246 5.003 1.065) 5.587 0.935 ( 2.996 -2.969 2.805) 5.066 0.935 ( 2.996 2.969 2.805) 5.066 1.140 ( -3.659 -2.955 -2.270) 5.222 1.140 ( -3.659 2.955 -2.270) 5.222 1.250 ( 1.131 -2.577 -0.255) 2.826 1.250 ( 1.131 2.577 -0.255) 2.826 1.507 ( 0.043 -2.072 0.593) 2.155 1.507 ( 0.043 2.072 0.593) 2.155 1.718 ( -0.676 -2.270 1.261) 2.684 1.718 ( -0.676 2.270 1.261) 2.684 1.851 ( 0.631 -1.487 -1.996) 2.567 1.851 ( 0.631 1.487 -1.996) 2.567 2.035 ( 0.264 -2.127 1.048) 2.386 2.035 ( 0.264 2.127 1.048) 2.386 2.119 ( -2.362 -0.773 3.797) 4.538 2.119 ( -2.362 0.773 3.797) 4.538 2.557 ( -2.940 -1.461 7.771) 8.436 2.557 ( -2.940 1.461 7.771) 8.436 2.850 ( -2.441 -1.871 7.676) 8.269 2.850 ( -2.441 1.871 7.676) 8.269 3.035 ( 1.190 -2.014 -2.948) 3.764 3.035 ( 1.190 2.014 -2.948) 3.764 3.657 ( 4.470 -0.867 -12.838) 13.622 3.657 ( 4.470 0.867 -12.838) 13.622 4.307 ( 0.725 -0.906 1.916) 2.240 4.307 ( 0.725 0.906 1.916) 2.240 4.418 ( -0.778 -1.138 -2.701) 3.033 4.418 ( -0.778 1.138 -2.701) 3.033 4.733 ( -1.296 -1.386 3.738) 4.192 4.733 ( -1.296 1.386 3.738) 4.192 4.893 ( 1.226 -1.777 -2.445) 3.262 4.893 ( 1.226 1.777 -2.445) 3.262 5.215 ( 0.420 -1.728 0.725) 1.920 5.215 ( 0.420 1.728 0.725) 1.920 5.301 ( -0.683 -2.135 -1.535) 2.718 5.301 ( -0.683 2.135 -1.535) 2.718 9.102 ( -0.884 -0.939 1.804) 2.217 9.102 ( -0.884 0.939 1.804) 2.217 9.230 ( 1.318 -0.487 -2.145) 2.564 9.230 ( 1.318 0.487 -2.145) 2.564 9.654 ( -1.744 -1.175 2.402) 3.192 9.654 ( -1.744 1.175 2.402) 3.192 9.684 ( -0.953 -0.831 0.468) 1.348 9.684 ( -0.953 0.831 0.468) 1.348 9.981 ( -0.832 -1.063 2.427) 2.777 9.981 ( -0.832 1.063 2.427) 2.777 10.146 ( -1.192 -3.202 -2.830) 4.436 10.146 ( -1.192 3.202 -2.830) 4.436 10.686 ( 0.445 -2.614 2.187) 3.437 10.686 ( 0.445 2.614 2.187) 3.437 10.817 ( 0.597 -0.295 -1.411) 1.560 10.817 ( 0.597 0.295 -1.411) 1.560 14.565 ( -0.166 -0.179 0.549) 0.601 14.565 ( -0.166 0.179 0.549) 0.601 14.590 ( 0.166 -0.079 -0.561) 0.590 14.590 ( 0.166 0.079 -0.561) 0.590======================= Grid point 121 (70/87) =======================q-point: ( 0.14 -0.50 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.685 ( 1.256 -2.851 -1.348) 3.394 0.685 ( 1.256 2.851 -1.348) 3.394 0.755 ( 4.636 -4.260 -0.764) 6.343 0.755 ( 4.636 4.260 -0.764) 6.343 0.986 ( -1.539 -2.499 1.344) 3.228 0.986 ( -1.539 2.499 1.344) 3.228 1.075 ( 0.887 -3.973 -0.755) 4.140 1.075 ( 0.887 3.973 -0.755) 4.140 1.290 ( 2.841 -1.824 -0.283) 3.388 1.290 ( 2.841 1.824 -0.283) 3.388 1.482 ( -2.382 -1.451 0.534) 2.840 1.482 ( -2.382 1.451 0.534) 2.840 1.717 ( -2.103 -4.063 2.903) 5.418 1.717 ( -2.103 4.063 2.903) 5.418 1.834 ( 0.451 -1.632 -3.663) 4.036 1.834 ( 0.451 1.632 -3.663) 4.036 2.003 ( -3.252 -1.779 -0.833) 3.799 2.003 ( -3.252 1.779 -0.833) 3.799 2.118 ( -1.485 -2.460 6.482) 7.091 2.118 ( -1.485 2.460 6.482) 7.091 2.569 ( -1.061 -1.766 7.862) 8.128 2.569 ( -1.061 1.766 7.862) 8.128 2.857 ( -1.870 -2.220 7.552) 8.091 2.857 ( -1.870 2.220 7.552) 8.091 3.048 ( 2.184 -1.043 -3.511) 4.265 3.048 ( 2.184 1.043 -3.511) 4.265 3.660 ( 4.227 -0.820 -12.550) 13.268 3.660 ( 4.227 0.820 -12.550) 13.268 4.335 ( 0.983 -0.637 1.310) 1.758 4.335 ( 0.983 0.637 1.310) 1.758 4.393 ( -0.088 -0.485 -2.027) 2.086 4.393 ( -0.088 0.485 -2.027) 2.086 4.728 ( -1.517 -0.615 3.274) 3.661 4.728 ( -1.517 0.615 3.274) 3.661 4.895 ( 0.478 -2.011 -2.099) 2.946 4.895 ( 0.478 2.011 -2.099) 2.946 5.225 ( 0.036 -2.020 0.620) 2.113 5.225 ( 0.036 2.020 0.620) 2.113 5.288 ( 0.230 -1.042 -0.915) 1.406 5.288 ( 0.230 1.042 -0.915) 1.406 9.096 ( -0.875 -1.137 1.879) 2.364 9.096 ( -0.875 1.137 1.879) 2.364 9.242 ( 1.349 -0.712 -2.391) 2.836 9.242 ( 1.349 0.712 -2.391) 2.836 9.622 ( -2.710 -0.139 3.393) 4.345 9.622 ( -2.710 0.139 3.393) 4.345 9.694 ( 0.844 -1.665 1.056) 2.145 9.694 ( 0.844 1.665 1.056) 2.145 9.991 ( 0.005 -0.780 3.060) 3.158 9.991 ( 0.005 0.780 3.060) 3.158 10.116 ( -0.488 -3.216 -1.487) 3.577 10.116 ( -0.488 3.216 -1.487) 3.577 10.698 ( -0.261 -2.149 1.050) 2.406 10.698 ( -0.261 2.149 1.050) 2.406 10.802 ( -1.026 -0.328 -1.671) 1.988 10.802 ( -1.026 0.328 -1.671) 1.988 14.564 ( -0.257 -0.090 0.543) 0.608 14.564 ( -0.257 0.090 0.543) 0.608 14.589 ( 0.104 -0.187 -0.549) 0.590 14.589 ( 0.104 0.187 -0.549) 0.590======================= Grid point 123 (71/87) =======================q-point: ( 0.29 -0.50 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.708 ( 1.616 -5.426 -1.710) 5.914 0.708 ( 1.616 5.426 -1.710) 5.914 0.814 ( 1.699 -2.726 -3.283) 4.593 0.814 ( 1.699 2.726 -3.283) 4.593 0.944 ( 0.049 -0.570 0.358) 0.675 0.944 ( 0.049 0.570 0.358) 0.675 1.140 ( 2.999 -2.517 2.774) 4.798 1.140 ( 2.999 2.517 2.774) 4.798 1.327 ( 0.166 -1.906 0.157) 1.920 1.327 ( 0.166 1.906 0.157) 1.920 1.459 ( 1.141 -3.899 -1.011) 4.186 1.459 ( 1.141 3.899 -1.011) 4.186 1.653 ( -5.472 -5.141 2.077) 7.790 1.653 ( -5.472 5.141 2.077) 7.790 1.834 ( 0.620 -1.121 -3.131) 3.383 1.834 ( 0.620 1.121 -3.131) 3.383 1.933 ( -2.103 -3.392 -1.621) 4.307 1.933 ( -2.103 3.392 -1.621) 4.307 2.134 ( -1.489 -2.617 7.571) 8.148 2.134 ( -1.489 2.617 7.571) 8.148 2.604 ( -0.535 -1.676 7.087) 7.302 2.604 ( -0.535 1.676 7.087) 7.302 2.868 ( -2.781 -1.862 9.463) 10.037 2.868 ( -2.781 1.862 9.463) 10.037 3.069 ( 2.822 -0.639 -5.234) 5.981 3.069 ( 2.822 0.639 -5.234) 5.981 3.659 ( 3.948 -0.744 -12.417) 13.051 3.659 ( 3.948 0.744 -12.417) 13.051 4.350 ( -0.147 -0.461 0.545) 0.729 4.350 ( -0.147 0.461 0.545) 0.729 4.397 ( 1.574 -0.265 -1.480) 2.177 4.397 ( 1.574 0.265 -1.480) 2.177 4.720 ( -1.465 -0.520 3.198) 3.556 4.720 ( -1.465 0.520 3.198) 3.556 4.886 ( -0.145 -1.924 -1.562) 2.482 4.886 ( -0.145 1.924 -1.562) 2.482 5.226 ( -0.120 -1.596 0.219) 1.616 5.226 ( -0.120 1.596 0.219) 1.616 5.296 ( 0.861 -0.374 -0.287) 0.981 5.296 ( 0.861 0.374 -0.287) 0.981 9.094 ( -0.540 -1.052 1.928) 2.262 9.094 ( -0.540 1.052 1.928) 2.262 9.247 ( 0.759 -0.855 -2.506) 2.754 9.247 ( 0.759 0.855 -2.506) 2.754 9.606 ( -1.467 -0.702 4.092) 4.403 9.606 ( -1.467 0.702 4.092) 4.403 9.717 ( 0.715 -1.826 1.126) 2.261 9.717 ( 0.715 1.826 1.126) 2.261 10.014 ( 0.298 -0.926 2.716) 2.884 10.014 ( 0.298 0.926 2.716) 2.884 10.112 ( 0.560 -3.140 0.374) 3.211 10.112 ( 0.560 3.140 0.374) 3.211 10.691 ( -1.025 -1.849 0.629) 2.206 10.691 ( -1.025 1.849 0.629) 2.206 10.765 ( -1.319 -0.401 -1.989) 2.419 10.765 ( -1.319 0.401 -1.989) 2.419 14.562 ( -0.279 -0.070 0.531) 0.604 14.562 ( -0.279 0.070 0.531) 0.604 14.587 ( 0.092 -0.241 -0.531) 0.590 14.587 ( 0.092 0.241 -0.531) 0.590======================= Grid point 125 (72/87) =======================q-point: (-0.57 -0.50 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.701 ( -1.243 -6.287 -1.617) 6.609 0.701 ( -1.243 6.287 -1.617) 6.609 0.797 ( -0.398 -1.250 -2.629) 2.938 0.797 ( -0.398 1.250 -2.629) 2.938 0.992 ( 2.669 -1.052 0.798) 2.978 0.992 ( 2.669 1.052 0.798) 2.978 1.203 ( 1.809 -1.091 3.141) 3.785 1.203 ( 1.809 1.091 3.141) 3.785 1.301 ( -1.957 -1.698 -0.335) 2.612 1.301 ( -1.957 1.698 -0.335) 2.612 1.481 ( -0.710 -5.786 -1.612) 6.048 1.481 ( -0.710 5.786 -1.612) 6.048 1.589 ( 0.160 -3.914 0.066) 3.918 1.589 ( 0.160 3.914 0.066) 3.918 1.796 ( -1.689 -1.741 -2.154) 3.245 1.796 ( -1.689 1.741 -2.154) 3.245 1.928 ( 1.670 -2.307 -1.555) 3.245 1.928 ( 1.670 2.307 -1.555) 3.245 2.154 ( -1.399 -1.716 7.254) 7.585 2.154 ( -1.399 1.716 7.254) 7.585 2.629 ( -1.300 -1.194 6.283) 6.526 2.629 ( -1.300 1.194 6.283) 6.526 2.867 ( -4.156 -1.019 11.494) 12.265 2.867 ( -4.156 1.019 11.494) 12.265 3.085 ( 2.575 -1.269 -6.432) 7.043 3.085 ( 2.575 1.269 -6.432) 7.043 3.655 ( 3.913 -0.880 -12.563) 13.187 3.655 ( 3.913 0.880 -12.563) 13.187 4.342 ( -1.175 -0.331 1.157) 1.682 4.342 ( -1.175 0.331 1.157) 1.682 4.425 ( 2.483 -0.238 -2.571) 3.583 4.425 ( 2.483 0.238 -2.571) 3.583 4.715 ( -1.270 -1.225 3.550) 3.964 4.715 ( -1.270 1.225 3.550) 3.964 4.872 ( -0.313 -1.634 -1.162) 2.029 4.872 ( -0.313 1.634 -1.162) 2.029 5.223 ( -0.224 -1.017 0.027) 1.042 5.223 ( -0.224 1.017 0.027) 1.042 5.313 ( 1.088 -0.616 -0.248) 1.275 5.313 ( 1.088 0.616 -0.248) 1.275 9.100 ( -0.225 -0.862 1.991) 2.181 9.100 ( -0.225 0.862 1.991) 2.181 9.239 ( 0.181 -0.823 -2.484) 2.623 9.239 ( 0.181 0.823 -2.484) 2.623 9.614 ( -0.449 -1.082 3.992) 4.161 9.614 ( -0.449 1.082 3.992) 4.161 9.731 ( 0.196 -1.460 0.755) 1.655 9.731 ( 0.196 1.460 0.755) 1.655 10.031 ( -0.085 -1.267 1.735) 2.150 10.031 ( -0.085 1.267 1.735) 2.150 10.142 ( 1.826 -2.734 1.718) 3.710 10.142 ( 1.826 2.734 1.718) 3.710 10.662 ( -2.428 -1.468 0.723) 2.928 10.662 ( -2.428 1.468 0.723) 2.928 10.742 ( 0.311 -0.317 -1.917) 1.968 10.742 ( 0.311 0.317 -1.917) 1.968 14.561 ( -0.219 -0.133 0.526) 0.585 14.561 ( -0.219 0.133 0.526) 0.585 14.586 ( 0.140 -0.225 -0.527) 0.589 14.586 ( 0.140 0.225 -0.527) 0.589======================= Grid point 127 (73/87) =======================q-point: (-0.43 -0.50 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.657 ( -2.783 -3.083 0.112) 4.155 0.657 ( -2.783 3.083 0.112) 4.155 0.776 ( -0.120 -4.303 -1.230) 4.477 0.776 ( -0.120 4.303 -1.230) 4.477 1.006 ( -2.095 -1.610 0.302) 2.659 1.006 ( -2.095 1.610 0.302) 2.659 1.231 ( -1.124 -1.501 1.026) 2.137 1.231 ( -1.124 1.501 1.026) 2.137 1.297 ( 2.674 -1.098 0.100) 2.892 1.297 ( 2.674 1.098 0.100) 2.892 1.416 ( -3.857 -5.010 0.391) 6.335 1.416 ( -3.857 5.010 0.391) 6.335 1.645 ( 4.573 -3.849 -1.755) 6.230 1.645 ( 4.573 3.849 -1.755) 6.230 1.774 ( 0.583 -2.861 -1.158) 3.141 1.774 ( 0.583 2.861 -1.158) 3.141 1.948 ( 1.526 -1.852 -2.213) 3.265 1.948 ( 1.526 1.852 -2.213) 3.265 2.168 ( -1.553 -0.214 5.947) 6.151 2.168 ( -1.553 0.214 5.947) 6.151 2.632 ( -2.477 -1.150 6.065) 6.652 2.632 ( -2.477 1.150 6.065) 6.652 2.858 ( -4.731 -0.427 12.884) 13.731 2.858 ( -4.731 0.427 12.884) 13.731 3.084 ( 1.647 -1.901 -6.736) 7.190 3.084 ( 1.647 1.901 -6.736) 7.190 3.651 ( 4.116 -1.146 -12.816) 13.509 3.651 ( 4.116 1.146 -12.816) 13.509 4.321 ( -1.744 -0.506 1.420) 2.306 4.321 ( -1.744 0.506 1.420) 2.306 4.453 ( 2.248 -0.664 -3.213) 3.977 4.453 ( 2.248 0.664 -3.213) 3.977 4.716 ( -1.093 -1.609 4.071) 4.512 4.716 ( -1.093 1.609 4.071) 4.512 4.863 ( 0.170 -1.188 -1.180) 1.683 4.863 ( 0.170 1.188 -1.180) 1.683 5.216 ( -0.527 -0.415 -0.021) 0.671 5.216 ( -0.527 0.415 -0.021) 0.671 5.331 ( 1.041 -1.868 -0.744) 2.264 5.331 ( 1.041 1.868 -0.744) 2.264 9.108 ( -0.298 -0.673 1.852) 1.993 9.108 ( -0.298 0.673 1.852) 1.993 9.226 ( 0.120 -0.673 -2.210) 2.313 9.226 ( 0.120 0.673 -2.210) 2.313 9.634 ( 0.061 -1.190 3.073) 3.296 9.634 ( 0.061 1.190 3.073) 3.296 9.734 ( -0.292 -0.853 0.597) 1.081 9.734 ( -0.292 0.853 0.597) 1.081 10.032 ( -0.738 -1.650 1.116) 2.124 10.032 ( -0.738 1.650 1.116) 2.124 10.194 ( 2.449 -1.635 0.405) 2.972 10.194 ( 2.449 1.635 0.405) 2.972 10.621 ( -2.486 -1.824 2.211) 3.794 10.621 ( -2.486 1.824 2.211) 3.794 10.749 ( 1.495 -0.431 -1.706) 2.309 10.749 ( 1.495 0.431 -1.706) 2.309 14.561 ( -0.137 -0.173 0.523) 0.567 14.561 ( -0.137 0.173 0.523) 0.567 14.586 ( 0.226 -0.178 -0.529) 0.602 14.586 ( 0.226 0.178 -0.529) 0.602======================= Grid point 129 (74/87) =======================q-point: (-0.29 -0.50 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.605 ( -2.492 -3.257 1.100) 4.246 0.605 ( -2.492 3.257 1.100) 4.246 0.789 ( 1.675 -6.311 -0.143) 6.531 0.789 ( 1.675 6.311 -0.143) 6.531 0.927 ( -5.450 -4.611 0.077) 7.139 0.927 ( -5.450 4.611 0.077) 7.139 1.210 ( -1.269 -2.252 0.803) 2.707 1.210 ( -1.269 2.252 0.803) 2.707 1.314 ( -2.215 -4.808 0.168) 5.296 1.314 ( -2.215 4.808 0.168) 5.296 1.405 ( 2.957 -3.380 0.379) 4.507 1.405 ( 2.957 3.380 0.379) 4.507 1.719 ( 3.741 -2.633 -0.783) 4.641 1.719 ( 3.741 2.633 -0.783) 4.641 1.788 ( 0.973 -1.853 -0.444) 2.140 1.788 ( 0.973 1.853 -0.444) 2.140 1.963 ( 2.001 -1.953 -2.745) 3.918 1.963 ( 2.001 1.953 -2.745) 3.918 2.167 ( -2.009 -1.672 4.358) 5.081 2.167 ( -2.009 1.672 4.358) 5.081 2.613 ( -3.605 -1.462 6.358) 7.454 2.613 ( -3.605 1.462 6.358) 7.454 2.853 ( -4.397 -0.176 12.870) 13.602 2.853 ( -4.397 0.176 12.870) 13.602 3.065 ( 0.765 -2.422 -6.194) 6.694 3.065 ( 0.765 2.422 -6.194) 6.694 3.651 ( 4.346 -1.167 -12.993) 13.750 3.651 ( 4.346 1.167 -12.993) 13.750 4.299 ( -1.476 -0.805 1.548) 2.285 4.299 ( -1.476 0.805 1.548) 2.285 4.464 ( 0.952 -1.199 -3.186) 3.535 4.464 ( 0.952 1.199 -3.186) 3.535 4.723 ( -1.036 -1.770 4.404) 4.858 4.723 ( -1.036 1.770 4.404) 4.858 4.866 ( 1.102 -0.818 -1.708) 2.191 4.866 ( 1.102 0.818 -1.708) 2.191 5.206 ( -0.415 -0.363 0.117) 0.563 5.206 ( -0.415 0.363 0.117) 0.563 5.338 ( 0.331 -2.748 -1.437) 3.119 5.338 ( 0.331 2.748 -1.437) 3.119 9.110 ( -0.599 -0.502 1.560) 1.745 9.110 ( -0.599 0.502 1.560) 1.745 9.219 ( 0.472 -0.494 -1.807) 1.932 9.219 ( 0.472 0.494 -1.807) 1.932 9.650 ( -0.003 -1.079 1.789) 2.089 9.650 ( -0.003 1.079 1.789) 2.089 9.729 ( -0.772 -0.230 0.832) 1.158 9.729 ( -0.772 0.230 0.832) 1.158 10.017 ( -1.394 -1.946 0.848) 2.540 10.017 ( -1.394 1.946 0.848) 2.540 10.220 ( 0.769 -1.068 -2.826) 3.117 10.220 ( 0.769 1.068 -2.826) 3.117 10.612 ( -0.397 -2.397 4.599) 5.201 10.612 ( -0.397 2.397 4.599) 5.201 10.773 ( 1.977 -0.527 -1.599) 2.596 10.773 ( 1.977 0.527 -1.599) 2.596 14.562 ( -0.084 -0.204 0.522) 0.567 14.562 ( -0.084 0.204 0.522) 0.567 14.588 ( 0.276 -0.130 -0.533) 0.614 14.588 ( 0.276 0.130 -0.533) 0.614======================= Grid point 131 (75/87) =======================q-point: (-0.14 -0.50 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.596 ( 1.122 -3.598 0.790) 3.851 0.596 ( 1.122 3.598 0.790) 3.851 0.783 ( -3.856 -2.118 0.232) 4.405 0.783 ( -3.856 2.118 0.232) 4.405 0.874 ( 1.340 -1.621 1.153) 2.398 0.874 ( 1.340 1.621 1.153) 2.398 1.192 ( -1.208 -1.085 0.032) 1.624 1.192 ( -1.208 1.085 0.032) 1.624 1.265 ( -2.434 -2.419 0.039) 3.432 1.265 ( -2.434 2.419 0.039) 3.432 1.470 ( 3.072 -3.123 0.215) 4.385 1.470 ( 3.072 3.123 0.215) 4.385 1.740 ( -1.258 -1.721 -0.037) 2.132 1.740 ( -1.258 1.721 -0.037) 2.132 1.822 ( 2.840 -0.982 -0.606) 3.066 1.822 ( 2.840 0.982 -0.606) 3.066 1.998 ( 2.712 -2.258 -0.801) 3.619 1.998 ( 2.712 2.258 -0.801) 3.619 2.147 ( -2.590 -2.635 3.421) 5.035 2.147 ( -2.590 2.635 3.421) 5.035 2.580 ( -4.094 -1.441 6.987) 8.225 2.580 ( -4.094 1.441 6.987) 8.225 2.851 ( -3.578 -1.063 10.488) 11.133 2.851 ( -3.578 1.063 10.488) 11.133 3.042 ( 0.572 -2.602 -4.497) 5.227 3.042 ( 0.572 2.602 -4.497) 5.227 3.653 ( 4.480 -0.953 -13.021) 13.803 3.653 ( 4.480 0.953 -13.021) 13.803 4.291 ( -0.392 -0.974 1.839) 2.118 4.291 ( -0.392 0.974 1.839) 2.118 4.449 ( -0.378 -1.430 -2.984) 3.330 4.449 ( -0.378 1.430 -2.984) 3.330 4.730 ( -1.090 -1.731 4.271) 4.736 4.730 ( -1.090 1.731 4.271) 4.736 4.880 ( 1.602 -1.233 -2.303) 3.064 4.880 ( 1.602 1.233 -2.303) 3.064 5.205 ( 0.126 -1.106 0.440) 1.197 5.205 ( 0.126 1.106 0.440) 1.197 5.325 ( -0.573 -2.857 -1.768) 3.408 5.325 ( -0.573 2.857 -1.768) 3.408 9.106 ( -0.743 -0.598 1.577) 1.843 9.106 ( -0.743 0.598 1.577) 1.843 9.221 ( 0.876 -0.378 -1.802) 2.039 9.221 ( 0.876 0.378 -1.802) 2.039 9.656 ( -0.261 -1.062 1.205) 1.627 9.656 ( -0.261 1.062 1.205) 1.627 9.712 ( -1.670 -0.600 0.933) 2.005 9.712 ( -1.670 0.600 0.933) 2.005 9.993 ( -1.624 -1.763 1.312) 2.733 9.993 ( -1.624 1.763 1.312) 2.733 10.191 ( -1.153 -2.311 -3.738) 4.544 10.191 ( -1.153 2.311 -3.738) 4.544 10.652 ( 1.034 -2.641 4.078) 4.967 10.652 ( 1.034 2.641 4.078) 4.967 10.801 ( 1.841 -0.609 -1.424) 2.406 10.801 ( 1.841 0.609 -1.424) 2.406 14.564 ( -0.091 -0.218 0.535) 0.585 14.564 ( -0.091 0.218 0.535) 0.585 14.590 ( 0.245 -0.061 -0.548) 0.603 14.590 ( 0.245 0.061 -0.548) 0.603======================= Grid point 140 (76/87) =======================q-point: ( 0.00 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 45Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.615 ( -5.448 0.000 -1.789) 5.735 0.615 ( 5.448 0.000 1.789) 5.735 0.762 ( -1.230 0.000 -0.295) 1.265 0.762 ( 1.230 0.000 0.295) 1.265 1.015 ( -3.413 0.000 0.058) 3.414 1.015 ( 3.413 0.000 -0.058) 3.414 1.158 ( -2.030 0.000 -2.133) 2.944 1.158 ( 2.030 0.000 2.133) 2.944 1.247 ( 3.687 0.000 -4.742) 6.007 1.247 ( -3.687 0.000 4.742) 6.007 1.538 ( -3.670 0.000 -0.958) 3.793 1.538 ( 3.670 0.000 0.958) 3.793 1.693 ( 1.272 0.000 -4.707) 4.876 1.693 ( -1.272 0.000 4.707) 4.876 1.753 ( -0.081 0.000 -2.492) 2.494 1.753 ( 0.081 0.000 2.492) 2.494 2.059 ( -1.851 0.000 0.345) 1.883 2.059 ( 1.851 0.000 -0.345) 1.883 2.167 ( -3.369 0.000 0.251) 3.379 2.167 ( 3.369 0.000 -0.251) 3.379 2.699 ( 3.523 0.000 -10.164) 10.758 2.699 ( -3.523 0.000 10.164) 10.758 2.776 ( 3.068 0.000 -9.475) 9.959 2.776 ( -3.068 0.000 9.475) 9.959 3.293 ( 6.594 0.000 -19.324) 20.418 3.293 ( -6.594 0.000 19.324) 20.418 3.344 ( 6.880 0.000 -18.645) 19.873 3.344 ( -6.880 0.000 18.645) 19.873 4.344 ( -0.873 0.000 -0.720) 1.132 4.344 ( 0.873 0.000 0.720) 1.132 4.357 ( -1.171 0.000 -2.323) 2.601 4.357 ( 1.171 0.000 2.323) 2.601 4.784 ( 0.973 0.000 -4.075) 4.189 4.784 ( -0.973 0.000 4.075) 4.189 4.859 ( 2.483 0.000 -4.247) 4.920 4.859 ( -2.483 0.000 4.247) 4.920 5.205 ( 1.132 0.000 -2.399) 2.652 5.205 ( -1.132 0.000 2.399) 2.652 5.304 ( -0.810 0.000 -2.680) 2.799 5.304 ( 0.810 0.000 2.680) 2.799 9.147 ( 1.846 0.000 -3.043) 3.559 9.147 ( -1.846 0.000 3.043) 3.559 9.190 ( 1.316 0.000 -2.371) 2.712 9.190 ( -1.316 0.000 2.371) 2.712 9.648 ( -0.443 0.000 -0.790) 0.905 9.648 ( 0.443 0.000 0.790) 0.905 9.697 ( -2.543 0.000 0.334) 2.565 9.697 ( 2.543 0.000 -0.334) 2.565 9.988 ( -0.383 0.000 -0.667) 0.769 9.988 ( 0.383 0.000 0.667) 0.769 10.140 ( 1.087 0.000 -4.284) 4.420 10.140 ( -1.087 0.000 4.284) 4.420 10.707 ( 0.635 0.000 -3.400) 3.459 10.707 ( -0.635 0.000 3.400) 3.459 10.819 ( -0.527 0.000 -0.037) 0.528 10.819 ( 0.527 0.000 0.037) 0.528 14.574 ( 0.067 0.000 -0.672) 0.676 14.574 ( -0.067 0.000 0.672) 0.676 14.581 ( 0.308 0.000 -0.535) 0.618 14.581 ( -0.308 0.000 0.535) 0.618======================= Grid point 142 (77/87) =======================q-point: ( 0.14 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 87Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.518 ( -2.410 0.000 -3.195) 4.002 0.721 ( 5.491 0.000 -2.942) 6.229 0.769 ( 2.602 0.000 -1.284) 2.901 0.804 ( 2.310 0.000 0.197) 2.318 0.983 ( -0.521 0.000 2.966) 3.011 1.080 ( -3.570 0.000 -2.164) 4.175 1.084 ( 2.594 0.000 1.632) 3.065 1.191 ( 1.917 0.000 -1.036) 2.179 1.249 ( -0.285 0.000 5.455) 5.463 1.316 ( 4.454 0.000 -1.246) 4.625 1.422 ( -6.005 0.000 -3.510) 6.955 1.553 ( -1.938 0.000 0.276) 1.957 1.672 ( 0.151 0.000 -5.714) 5.716 1.677 ( -3.403 0.000 4.053) 5.292 1.745 ( -0.014 0.000 -1.662) 1.662 1.792 ( 2.360 0.000 0.910) 2.529 2.021 ( -2.159 0.000 -0.064) 2.160 2.085 ( -3.944 0.000 1.479) 4.212 2.093 ( 0.232 0.000 0.811) 0.843 2.207 ( 0.875 0.000 0.345) 0.940 2.711 ( -2.177 0.000 10.738) 10.957 2.714 ( 4.267 0.000 -9.045) 10.001 2.794 ( -1.357 0.000 8.519) 8.626 2.796 ( 5.215 0.000 -9.865) 11.158 3.292 ( -6.113 0.000 18.823) 19.791 3.298 ( 6.809 0.000 -20.077) 21.200 3.328 ( -7.195 0.000 19.159) 20.466 3.352 ( 6.096 0.000 -18.105) 19.104 4.322 ( -0.254 0.000 -2.148) 2.163 4.337 ( 0.071 0.000 -0.464) 0.469 4.366 ( 1.040 0.000 0.041) 1.041 4.394 ( 0.723 0.000 2.882) 2.971 4.779 ( 1.129 0.000 -4.180) 4.330 4.794 ( -0.585 0.000 3.856) 3.900 4.832 ( -3.128 0.000 4.317) 5.332 4.871 ( 1.527 0.000 -4.314) 4.576 5.204 ( -0.492 0.000 2.226) 2.280 5.218 ( 1.930 0.000 -2.429) 3.102 5.272 ( -0.813 0.000 -2.218) 2.362 5.332 ( 0.113 0.000 3.043) 3.045 9.133 ( -1.502 0.000 2.906) 3.272 9.160 ( 1.378 0.000 -2.953) 3.259 9.181 ( -1.090 0.000 2.144) 2.406 9.199 ( 1.325 0.000 -2.822) 3.118 9.642 ( 0.104 0.000 -0.296) 0.314 9.655 ( -1.255 0.000 1.151) 1.703 9.674 ( 0.413 0.000 1.775) 1.822 9.741 ( 1.861 0.000 -0.059) 1.862 9.980 ( 0.181 0.000 -0.792) 0.812 10.000 ( 0.453 0.000 0.563) 0.723 10.155 ( 2.396 0.000 -1.280) 2.717 10.160 ( -0.327 0.000 5.570) 5.580 10.693 ( 0.275 0.000 -3.885) 3.895 10.710 ( -1.233 0.000 3.107) 3.342 10.789 ( -2.286 0.000 -0.585) 2.360 10.810 ( -1.479 0.000 0.101) 1.482 14.571 ( 0.054 0.000 -0.623) 0.626 14.575 ( -0.247 0.000 0.627) 0.673 14.578 ( -0.288 0.000 0.580) 0.648 14.582 ( 0.178 0.000 -0.579) 0.606======================= Grid point 143 (78/87) =======================q-point: ( 0.29 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 87Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.504 ( 2.318 0.000 -0.488) 2.369 0.759 ( 0.737 0.000 -5.821) 5.868 0.840 ( 5.683 0.000 -2.323) 6.140 0.841 ( 3.027 0.000 -2.443) 3.890 1.006 ( -0.388 0.000 1.584) 1.631 1.063 ( 2.244 0.000 5.436) 5.880 1.128 ( 1.825 0.000 -0.166) 1.833 1.182 ( -3.807 0.000 -2.103) 4.349 1.282 ( -0.381 0.000 5.716) 5.729 1.304 ( -1.965 0.000 -1.180) 2.292 1.403 ( 4.150 0.000 -1.617) 4.454 1.497 ( -3.987 0.000 0.787) 4.064 1.627 ( -3.183 0.000 2.431) 4.005 1.636 ( 0.945 0.000 -7.621) 7.680 1.718 ( -1.997 0.000 -0.795) 2.149 1.813 ( -0.918 0.000 -1.304) 1.595 1.988 ( -0.828 0.000 -0.529) 0.982 2.012 ( -3.677 0.000 3.944) 5.392 2.131 ( 1.799 0.000 1.369) 2.260 2.213 ( -0.294 0.000 0.263) 0.394 2.743 ( 4.442 0.000 -8.292) 9.407 2.748 ( -1.217 0.000 10.737) 10.805 2.818 ( -1.609 0.000 7.410) 7.583 2.834 ( 4.816 0.000 -9.661) 10.795 3.297 ( -5.677 0.000 18.072) 18.943 3.299 ( 6.857 0.000 -20.788) 21.890 3.315 ( -7.166 0.000 20.174) 21.409 3.347 ( 5.203 0.000 -17.731) 18.478 4.319 ( 1.071 0.000 -1.311) 1.693 4.348 ( 1.296 0.000 -0.570) 1.416 4.377 ( -0.012 0.000 0.059) 0.060 4.414 ( -0.397 0.000 2.300) 2.334 4.774 ( 1.118 0.000 -4.160) 4.307 4.796 ( -2.611 0.000 3.845) 4.647 4.815 ( -0.565 0.000 4.185) 4.223 4.865 ( 0.866 0.000 -4.339) 4.424 5.212 ( -0.138 0.000 2.041) 2.045 5.247 ( 1.300 0.000 -2.266) 2.613 5.249 ( 1.021 0.000 -1.934) 2.187 5.342 ( -1.155 0.000 3.079) 3.289 9.129 ( -0.779 0.000 2.712) 2.822 9.161 ( 0.648 0.000 -2.829) 2.902 9.178 ( -0.608 0.000 2.290) 2.369 9.203 ( 0.940 0.000 -2.991) 3.135 9.645 ( -0.797 0.000 1.917) 2.076 9.645 ( 0.360 0.000 -0.437) 0.566 9.702 ( 0.893 0.000 2.025) 2.213 9.759 ( 0.400 0.000 -0.891) 0.977 9.986 ( 0.921 0.000 -0.846) 1.250 10.010 ( 0.161 0.000 0.530) 0.554 10.191 ( -0.013 0.000 5.139) 5.139 10.204 ( 2.194 0.000 1.404) 2.605 10.669 ( 0.141 0.000 -4.735) 4.737 10.699 ( -1.943 0.000 2.870) 3.466 10.742 ( -1.516 0.000 -1.313) 2.005 10.772 ( -2.400 0.000 0.604) 2.475 14.568 ( 0.119 0.000 -0.571) 0.583 14.572 ( -0.378 0.000 0.556) 0.673 14.578 ( -0.211 0.000 0.644) 0.678 14.581 ( 0.094 0.000 -0.623) 0.630======================= Grid point 144 (79/87) =======================q-point: ( 0.43 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 87Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.585 ( 4.485 0.000 3.394) 5.624 0.691 ( -3.135 0.000 -6.058) 6.821 0.901 ( 4.360 0.000 -1.599) 4.644 0.926 ( 3.141 0.000 -0.981) 3.291 1.013 ( -0.485 0.000 3.082) 3.119 1.061 ( -4.739 0.000 -3.142) 5.686 1.149 ( 1.534 0.000 5.455) 5.666 1.161 ( 2.213 0.000 -2.582) 3.400 1.291 ( 1.635 0.000 -4.928) 5.192 1.295 ( -2.375 0.000 6.935) 7.331 1.429 ( -2.384 0.000 0.028) 2.385 1.429 ( -1.331 0.000 0.886) 1.599 1.617 ( 1.217 0.000 0.684) 1.396 1.650 ( 5.576 0.000 -6.274) 8.394 1.666 ( -2.765 0.000 -0.503) 2.810 1.743 ( -5.611 0.000 1.404) 5.784 1.985 ( 0.713 0.000 -0.913) 1.158 1.993 ( -1.189 0.000 2.524) 2.790 2.172 ( 1.521 0.000 1.282) 1.989 2.201 ( -0.893 0.000 -0.464) 1.006 2.773 ( 4.042 0.000 -8.263) 9.199 2.783 ( -2.535 0.000 9.875) 10.195 2.830 ( -1.606 0.000 7.479) 7.650 2.847 ( 2.665 0.000 -9.103) 9.485 3.299 ( 6.952 0.000 -20.786) 21.917 3.301 ( -6.260 0.000 18.926) 19.935 3.313 ( -6.007 0.000 19.666) 20.563 3.330 ( 4.892 0.000 -17.932) 18.587 4.340 ( 1.681 0.000 -0.716) 1.827 4.366 ( -1.225 0.000 0.380) 1.283 4.376 ( 1.991 0.000 -0.748) 2.127 4.406 ( -1.603 0.000 1.325) 2.080 4.770 ( 1.282 0.000 -4.068) 4.266 4.775 ( -2.000 0.000 4.013) 4.484 4.834 ( -0.293 0.000 3.988) 3.999 4.852 ( 0.536 0.000 -4.158) 4.193 5.223 ( -0.072 0.000 1.861) 1.862 5.233 ( -0.021 0.000 -1.759) 1.759 5.289 ( 3.024 0.000 -2.400) 3.861 5.326 ( -2.437 0.000 2.756) 3.679 9.137 ( -0.233 0.000 2.691) 2.701 9.150 ( 0.195 0.000 -2.764) 2.771 9.186 ( -0.260 0.000 2.553) 2.567 9.197 ( 0.410 0.000 -2.814) 2.844 9.645 ( -0.442 0.000 1.802) 1.855 9.647 ( 0.366 0.000 -1.139) 1.197 9.729 ( 0.684 0.000 1.955) 2.071 9.751 ( -0.353 0.000 -1.589) 1.628 10.001 ( 1.034 0.000 -0.768) 1.288 10.011 ( -0.445 0.000 0.620) 0.763 10.221 ( 0.435 0.000 2.914) 2.946 10.235 ( 0.153 0.000 0.441) 0.466 10.652 ( 1.576 0.000 -4.447) 4.718 10.673 ( -2.634 0.000 3.060) 4.038 10.724 ( 0.536 0.000 -1.611) 1.698 10.737 ( -1.781 0.000 1.395) 2.262 14.568 ( 0.210 0.000 -0.558) 0.596 14.569 ( -0.300 0.000 0.567) 0.642 14.578 ( -0.198 0.000 0.624) 0.655 14.579 ( 0.122 0.000 -0.630) 0.642======================= Grid point 148 (80/87) =======================q-point: ( 0.00 0.25 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 58Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.646 ( -4.183 1.751 -1.576) 4.800 0.646 ( 4.183 1.751 1.576) 4.800 0.718 ( 0.954 -2.609 -1.969) 3.405 0.718 ( -0.954 -2.609 1.969) 3.405 1.015 ( -2.697 0.033 -3.327) 4.283 1.015 ( 2.697 0.033 3.327) 4.283 1.116 ( -2.335 -3.371 -4.821) 6.329 1.116 ( 2.335 -3.371 4.821) 6.329 1.250 ( 1.431 0.112 -2.010) 2.470 1.250 ( -1.431 0.112 2.010) 2.470 1.524 ( -1.476 -0.965 -1.411) 2.258 1.524 ( 1.476 -0.965 1.411) 2.258 1.724 ( 0.593 1.989 -3.551) 4.113 1.724 ( -0.593 1.989 3.551) 4.113 1.776 ( -1.649 2.221 -0.815) 2.884 1.776 ( 1.649 2.221 0.815) 2.884 2.052 ( -1.020 -0.963 -0.971) 1.706 2.052 ( 1.020 -0.963 0.971) 1.706 2.159 ( -3.256 -0.455 -0.183) 3.292 2.159 ( 3.256 -0.455 0.183) 3.292 2.712 ( 3.221 1.132 -9.678) 10.262 2.712 ( -3.221 1.132 9.678) 10.262 2.768 ( 2.929 -0.754 -9.207) 9.692 2.768 ( -2.929 -0.754 9.207) 9.692 3.299 ( 6.437 0.523 -18.905) 19.978 3.299 ( -6.437 0.523 18.905) 19.978 3.335 ( 6.641 -0.788 -18.452) 19.627 3.335 ( -6.641 -0.788 18.452) 19.627 4.327 ( 0.013 -0.759 -0.826) 1.122 4.327 ( -0.013 -0.759 0.826) 1.122 4.379 ( -0.212 1.114 -1.084) 1.569 4.379 ( 0.212 1.114 1.084) 1.569 4.795 ( 1.229 0.993 -4.105) 4.398 4.795 ( -1.229 0.993 4.105) 4.398 4.849 ( 2.321 -0.985 -4.228) 4.923 4.849 ( -2.321 -0.985 4.228) 4.923 5.219 ( 0.640 1.320 -2.348) 2.769 5.219 ( -0.640 1.320 2.348) 2.769 5.290 ( -0.683 -1.251 -2.561) 2.931 5.290 ( 0.683 -1.251 2.561) 2.931 9.137 ( 0.994 -0.691 -1.632) 2.032 9.137 ( -0.994 -0.691 1.632) 2.032 9.195 ( 0.633 0.318 -1.153) 1.353 9.195 ( -0.633 0.318 1.153) 1.353 9.659 ( -0.550 0.921 -0.607) 1.232 9.659 ( 0.550 0.921 0.607) 1.232 9.696 ( -1.943 -0.171 0.073) 1.952 9.696 ( 1.943 -0.171 -0.073) 1.952 9.999 ( -0.071 1.033 -1.232) 1.609 9.999 ( 0.071 1.033 1.232) 1.609 10.127 ( 0.823 -1.160 -3.502) 3.780 10.127 ( -0.823 -1.160 3.502) 3.780 10.710 ( 0.453 0.232 -2.660) 2.708 10.710 ( -0.453 0.232 2.660) 2.708 10.809 ( -0.277 -0.841 -0.378) 0.963 10.809 ( 0.277 -0.841 0.378) 0.963 14.574 ( 0.062 0.037 -0.534) 0.539 14.574 ( -0.062 0.037 0.534) 0.539 14.581 ( 0.230 -0.037 -0.437) 0.496 14.581 ( -0.230 -0.037 0.437) 0.496======================= Grid point 150 (81/87) =======================q-point: ( 0.14 0.25 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.567 ( -2.022 4.195 -2.784) 5.426 0.700 ( 2.262 -3.982 -1.340) 4.772 0.752 ( 3.002 0.546 0.846) 3.166 0.777 ( 5.256 -1.591 -2.653) 6.098 0.960 ( -1.332 -1.954 -0.891) 2.527 1.013 ( -3.736 -4.757 -1.880) 6.334 1.101 ( 2.368 1.193 3.034) 4.030 1.177 ( 1.889 -1.709 2.485) 3.558 1.252 ( 1.266 0.997 1.292) 2.065 1.310 ( 4.099 -0.760 -1.149) 4.324 1.445 ( -4.470 1.512 -2.022) 5.134 1.526 ( -1.970 -2.274 0.054) 3.009 1.699 ( -3.877 3.736 1.369) 5.556 1.722 ( -0.144 2.646 -1.125) 2.879 1.756 ( 0.546 0.740 -1.060) 1.404 1.802 ( 0.977 0.656 0.048) 1.178 2.004 ( -3.085 -1.650 -0.199) 3.504 2.042 ( -3.809 -3.906 0.754) 5.508 2.115 ( 0.078 2.663 0.735) 2.764 2.208 ( 1.507 -0.497 0.356) 1.626 2.707 ( 0.177 0.495 0.769) 0.931 2.739 ( 1.323 1.068 0.951) 1.948 2.773 ( 1.586 -0.723 -0.779) 1.909 2.804 ( 2.708 -0.158 -0.457) 2.751 3.291 ( -1.963 0.170 4.946) 5.324 3.308 ( 1.684 0.529 -4.225) 4.579 3.322 ( -4.594 -0.432 12.255) 13.095 3.345 ( 4.781 -0.637 -13.534) 14.367 4.315 ( 0.057 -0.319 -1.894) 1.922 4.327 ( 0.239 -0.717 -0.548) 0.933 4.384 ( 0.637 1.228 0.480) 1.464 4.401 ( 0.507 0.453 2.412) 2.507 4.788 ( 0.283 0.816 -1.848) 2.039 4.803 ( -0.061 0.846 1.465) 1.693 4.825 ( -2.746 -0.594 4.074) 4.948 4.860 ( 1.497 -1.052 -4.082) 4.473 5.210 ( -0.103 0.748 -0.024) 0.756 5.238 ( 1.172 1.494 -0.115) 1.902 5.262 ( -0.637 -0.775 -1.852) 2.106 5.318 ( 0.305 -1.305 2.689) 3.005 9.127 ( -1.022 -0.369 1.844) 2.140 9.141 ( 0.323 -1.109 -0.872) 1.447 9.194 ( -0.052 0.676 0.226) 0.715 9.202 ( 0.990 0.179 -1.870) 2.123 9.649 ( -0.222 0.550 0.145) 0.611 9.659 ( -1.279 0.218 0.996) 1.636 9.687 ( 0.804 1.215 1.342) 1.981 9.736 ( 1.651 -0.601 0.181) 1.766 9.994 ( 0.436 1.238 -1.209) 1.784 10.011 ( 0.408 0.894 0.712) 1.214 10.139 ( 1.913 -1.285 -0.581) 2.377 10.146 ( -0.146 -1.231 4.921) 5.074 10.695 ( -0.066 0.359 -2.724) 2.748 10.714 ( -0.635 0.171 1.695) 1.818 10.779 ( -2.241 -0.662 -0.699) 2.439 10.799 ( -1.521 -0.961 0.199) 1.811 14.571 ( 0.011 0.074 -0.472) 0.478 14.575 ( -0.222 -0.056 0.425) 0.482 14.579 ( -0.207 0.045 0.449) 0.496 14.582 ( 0.115 -0.064 -0.396) 0.417======================= Grid point 151 (82/87) =======================q-point: ( 0.29 0.25 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.550 ( 1.604 4.360 -1.035) 4.759 0.750 ( 3.806 -3.802 -3.933) 6.664 0.765 ( -0.168 -1.301 -2.898) 3.181 0.875 ( 5.899 0.284 -1.615) 6.123 0.910 ( -2.854 -5.874 0.262) 6.536 1.011 ( 2.290 -3.488 2.567) 4.899 1.159 ( 2.440 2.008 1.282) 3.411 1.223 ( 1.382 0.186 1.535) 2.073 1.272 ( -0.918 2.042 0.136) 2.243 1.348 ( -1.598 1.605 0.697) 2.369 1.388 ( 1.947 -0.478 -2.251) 3.015 1.478 ( -1.965 -1.702 -0.504) 2.648 1.619 ( -4.616 1.993 1.438) 5.230 1.701 ( -0.801 2.912 -2.558) 3.958 1.744 ( -1.277 2.065 -0.462) 2.471 1.805 ( -1.391 -0.597 -1.261) 1.970 1.947 ( -2.627 -3.139 2.582) 4.840 1.979 ( -2.019 -3.297 0.119) 3.868 2.144 ( 1.621 2.111 1.395) 3.005 2.224 ( 0.117 0.028 0.046) 0.129 2.724 ( 1.168 -0.283 0.025) 1.202 2.764 ( 0.253 -0.959 1.518) 1.813 2.810 ( 2.111 1.256 0.782) 2.578 2.851 ( 2.694 0.467 -1.968) 3.369 3.286 ( -0.347 -0.218 0.615) 0.739 3.303 ( -3.409 -0.521 8.633) 9.296 3.322 ( -0.228 0.854 1.547) 1.781 3.345 ( 3.527 -0.196 -11.551) 12.079 4.316 ( 1.131 -0.086 -1.407) 1.807 4.335 ( 1.075 -0.852 -0.805) 1.591 4.395 ( -0.049 1.208 0.714) 1.405 4.417 ( -0.438 0.160 2.136) 2.187 4.782 ( 0.519 0.659 -2.554) 2.688 4.796 ( -2.239 -0.050 3.289) 3.979 4.817 ( -0.268 0.332 2.709) 2.742 4.856 ( 0.871 -0.889 -3.996) 4.185 5.214 ( 0.291 0.303 0.432) 0.603 5.241 ( -0.132 -0.672 -1.590) 1.731 5.266 ( 1.609 1.591 -0.496) 2.317 5.331 ( -0.752 -1.029 2.643) 2.934 9.125 ( -0.450 -0.248 1.854) 1.924 9.142 ( 0.204 -1.117 -0.543) 1.259 9.193 ( -0.081 0.801 0.012) 0.805 9.206 ( 0.630 0.153 -2.095) 2.193 9.649 ( -0.498 0.363 1.317) 1.454 9.650 ( -0.004 0.355 0.453) 0.575 9.712 ( 0.773 1.010 1.485) 1.955 9.754 ( 0.395 -0.562 -0.515) 0.859 10.002 ( 1.091 1.444 -1.066) 2.100 10.022 ( 0.237 0.988 0.640) 1.201 10.176 ( 0.041 -1.285 4.707) 4.880 10.182 ( 1.826 -1.831 1.567) 3.024 10.675 ( 0.106 0.595 -3.831) 3.878 10.708 ( -1.296 0.566 1.779) 2.273 10.729 ( -1.769 -0.905 -1.430) 2.448 10.762 ( -2.394 -0.971 0.745) 2.689 14.569 ( 0.063 0.069 -0.430) 0.440 14.572 ( -0.296 -0.034 0.394) 0.494 14.578 ( -0.182 0.021 0.476) 0.510 14.580 ( 0.040 -0.056 -0.432) 0.437======================= Grid point 152 (83/87) =======================q-point: ( 0.43 0.25 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.607 ( 3.562 2.384 2.210) 4.823 0.694 ( -2.866 0.377 -5.004) 5.779 0.817 ( 3.773 -5.386 -2.030) 6.883 0.867 ( -2.726 -6.969 1.758) 7.687 0.979 ( 5.263 0.998 -0.236) 5.362 1.047 ( -1.092 -2.037 0.485) 2.361 1.207 ( 2.090 2.927 0.249) 3.605 1.233 ( -0.285 4.661 0.175) 4.673 1.268 ( 0.739 -1.464 1.809) 2.441 1.313 ( -2.468 0.037 -1.457) 2.866 1.394 ( 1.199 -0.056 -0.466) 1.287 1.446 ( -3.487 1.498 1.345) 4.027 1.599 ( 3.470 -1.540 -1.629) 4.131 1.668 ( -2.415 -0.727 -0.304) 2.540 1.713 ( -0.384 3.542 -1.680) 3.940 1.740 ( -3.787 0.755 1.105) 4.017 1.947 ( 0.247 -2.650 1.856) 3.245 1.961 ( -0.356 -2.710 -0.546) 2.788 2.185 ( 1.538 1.216 1.401) 2.410 2.215 ( -0.844 0.550 -0.737) 1.248 2.747 ( 1.425 -1.143 -0.744) 1.972 2.765 ( -0.950 -1.644 1.222) 2.258 2.853 ( 1.124 1.850 2.171) 3.066 2.871 ( 0.879 1.241 -2.585) 2.999 3.287 ( 1.517 -0.502 -3.958) 4.268 3.293 ( -3.097 -0.623 8.086) 8.681 3.327 ( -0.791 0.819 3.434) 3.617 3.336 ( 2.059 0.367 -7.916) 8.188 4.336 ( 1.460 -0.249 -0.748) 1.659 4.349 ( 0.294 -0.867 -0.337) 0.975 4.396 ( 0.207 1.040 0.254) 1.091 4.410 ( -1.243 0.270 1.142) 1.710 4.777 ( 0.662 0.563 -2.440) 2.590 4.780 ( -1.351 0.395 2.689) 3.035 4.831 ( -0.255 -0.217 3.118) 3.136 4.845 ( 0.515 -0.619 -3.630) 3.719 5.224 ( 0.167 0.106 0.923) 0.944 5.231 ( 0.027 -0.170 -1.247) 1.259 5.295 ( 2.058 0.635 -1.337) 2.535 5.322 ( -1.767 -0.373 2.141) 2.801 9.132 ( -0.047 -0.307 1.739) 1.766 9.140 ( 0.125 -0.710 -1.139) 1.348 9.194 ( -0.101 0.520 0.875) 1.023 9.200 ( 0.164 0.200 -1.794) 1.812 9.651 ( -0.301 0.412 1.367) 1.459 9.652 ( 0.207 0.365 -0.569) 0.707 9.734 ( 0.508 0.398 1.411) 1.552 9.749 ( -0.239 -0.178 -1.135) 1.174 10.017 ( 1.032 1.458 -0.875) 1.989 10.026 ( -0.354 1.247 0.729) 1.487 10.203 ( 0.253 -1.559 2.610) 3.050 10.211 ( 0.290 -1.999 0.514) 2.084 10.661 ( 1.398 0.828 -3.965) 4.285 10.680 ( -2.533 0.683 2.622) 3.709 10.713 ( 0.794 -0.977 -1.831) 2.222 10.728 ( -1.846 -0.892 1.595) 2.598 14.569 ( 0.146 0.043 -0.415) 0.442 14.569 ( -0.229 0.009 0.414) 0.474 14.578 ( -0.155 -0.015 0.448) 0.475 14.578 ( 0.071 -0.037 -0.444) 0.451======================= Grid point 156 (84/87) =======================q-point: ( 0.00 -0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 44Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.636 ( -0.000 0.000 0.000) 0.000 0.636 ( 0.000 0.000 0.000) 0.000 0.721 ( 0.000 0.000 0.000) 0.000 0.721 ( 0.000 0.000 0.000) 0.000 1.015 ( -0.000 0.000 -0.000) 0.000 1.015 ( 0.000 0.000 0.000) 0.000 1.070 ( 0.000 0.000 0.000) 0.000 1.070 ( 0.000 0.000 0.000) 0.000 1.251 ( 0.000 0.000 0.000) 0.000 1.251 ( 0.000 0.000 0.000) 0.000 1.513 ( 0.000 0.000 0.000) 0.000 1.513 ( -0.000 0.000 0.000) 0.000 1.743 ( 0.000 0.000 0.000) 0.000 1.743 ( 0.000 0.000 0.000) 0.000 1.813 ( 0.000 -0.000 -0.000) 0.000 1.813 ( 0.000 0.000 0.000) 0.000 2.033 ( -0.000 0.000 0.000) 0.000 2.033 ( -0.000 0.000 0.000) 0.000 2.156 ( 0.000 0.000 0.000) 0.000 2.156 ( -0.000 0.000 0.000) 0.000 2.732 ( 0.000 0.000 -0.000) 0.000 2.732 ( -0.000 0.000 0.000) 0.000 2.753 ( 0.000 0.000 -0.000) 0.000 2.753 ( -0.000 -0.000 0.000) 0.000 3.310 ( -0.000 0.000 0.000) 0.000 3.310 ( -0.000 0.000 0.000) 0.000 3.320 ( 0.000 -0.000 -0.000) 0.000 3.320 ( 0.000 0.000 -0.000) 0.000 4.319 ( 0.000 0.000 0.000) 0.000 4.319 ( 0.000 0.000 0.000) 0.000 4.391 ( 0.000 0.000 0.000) 0.000 4.391 ( -0.000 0.000 0.000) 0.000 4.816 ( 0.000 0.000 -0.000) 0.000 4.816 ( -0.000 0.000 0.000) 0.000 4.828 ( 0.000 0.000 -0.000) 0.000 4.828 ( -0.000 -0.000 0.000) 0.000 5.245 ( 0.000 -0.000 -0.000) 0.000 5.245 ( -0.000 0.000 -0.000) 0.000 5.265 ( 0.000 -0.000 0.000) 0.000 5.265 ( 0.000 -0.000 0.000) 0.000 9.129 ( -0.000 0.000 0.000) 0.000 9.129 ( 0.000 0.000 0.000) 0.000 9.199 ( 0.000 0.000 -0.000) 0.000 9.199 ( 0.000 0.000 0.000) 0.000 9.674 ( -0.000 0.000 0.000) 0.000 9.674 ( 0.000 0.000 0.000) 0.000 9.691 ( 0.000 0.000 0.000) 0.000 9.691 ( -0.000 0.000 0.000) 0.000 10.015 ( 0.000 0.000 0.000) 0.000 10.015 ( -0.000 0.000 0.000) 0.000 10.109 ( 0.000 0.000 0.000) 0.000 10.109 ( -0.000 0.000 0.000) 0.000 10.713 ( 0.000 0.000 0.000) 0.000 10.713 ( 0.000 0.000 0.000) 0.000 10.798 ( 0.000 0.000 0.000) 0.000 10.798 ( 0.000 0.000 0.000) 0.000 14.575 ( 0.000 0.000 0.000) 0.000 14.575 ( 0.000 0.000 0.000) 0.000 14.580 ( 0.000 0.000 0.000) 0.000 14.580 ( 0.000 0.000 0.000) 0.000======================= Grid point 160 (85/87) =======================q-point: ( 0.14 -0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 85Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.637 ( 1.422 -2.156 -2.689) 3.728 0.637 ( 1.422 2.156 -2.689) 3.728 0.757 ( 2.346 -2.186 1.197) 3.422 0.757 ( 2.346 2.186 1.197) 3.422 0.943 ( -2.205 -1.585 -4.195) 4.997 0.943 ( -2.205 1.585 -4.195) 4.997 1.134 ( 2.194 -2.066 4.518) 5.431 1.134 ( 2.194 2.066 4.518) 5.431 1.284 ( 3.202 -1.710 -0.710) 3.698 1.284 ( 3.202 1.710 -0.710) 3.698 1.479 ( -2.921 -2.090 -0.509) 3.628 1.479 ( -2.921 2.090 -0.509) 3.628 1.757 ( 0.586 -0.656 -1.747) 1.956 1.757 ( 0.586 0.656 -1.747) 1.956 1.788 ( -2.340 -3.047 2.318) 4.487 1.788 ( -2.340 3.047 2.318) 4.487 1.983 ( -4.050 -0.843 -0.353) 4.152 1.983 ( -4.050 0.843 -0.353) 4.152 2.175 ( 1.301 -2.666 0.269) 2.979 2.175 ( 1.301 2.666 0.269) 2.979 2.728 ( 0.061 -1.306 0.192) 1.321 2.728 ( 0.061 1.306 0.192) 1.321 2.788 ( 2.765 -1.282 0.127) 3.050 2.788 ( 2.765 1.282 0.127) 3.050 3.301 ( -2.395 -0.718 5.353) 5.909 3.301 ( -2.395 0.718 5.353) 5.909 3.330 ( 2.503 -0.816 -5.809) 6.377 3.330 ( 2.503 0.816 -5.809) 6.377 4.315 ( 0.250 -0.328 -1.214) 1.282 4.315 ( 0.250 0.328 -1.214) 1.282 4.402 ( 0.402 -0.426 1.503) 1.613 4.402 ( 0.402 0.426 1.503) 1.613 4.806 ( -1.523 -0.835 2.287) 2.872 4.806 ( -1.523 0.835 2.287) 2.872 4.832 ( 1.022 -1.480 -2.514) 3.091 4.832 ( 1.022 1.480 -2.514) 3.091 5.232 ( -0.286 -1.273 -1.263) 1.816 5.232 ( -0.286 1.273 -1.263) 1.816 5.283 ( 0.656 -2.029 1.650) 2.696 5.283 ( 0.656 2.029 1.650) 2.696 9.126 ( -0.325 -0.343 0.399) 0.618 9.126 ( -0.325 0.343 0.399) 0.618 9.203 ( 0.508 -0.192 -0.710) 0.893 9.203 ( 0.508 0.192 -0.710) 0.893 9.659 ( -0.857 -0.307 0.669) 1.130 9.659 ( -0.857 0.307 0.669) 1.130 9.716 ( 1.253 -1.355 0.713) 1.978 9.716 ( 1.253 1.355 0.713) 1.978 10.018 ( 0.620 -0.640 -0.678) 1.119 10.018 ( 0.620 0.640 -0.678) 1.119 10.124 ( 0.634 -0.330 2.483) 2.583 10.124 ( 0.634 0.330 2.483) 2.583 10.708 ( -0.249 -0.722 -0.932) 1.205 10.708 ( -0.249 0.722 -0.932) 1.205 10.779 ( -1.852 -0.729 0.040) 1.990 10.779 ( -1.852 0.729 0.040) 1.990 14.573 ( -0.108 -0.095 -0.050) 0.153 14.573 ( -0.108 0.095 -0.050) 0.153 14.580 ( -0.043 -0.079 0.054) 0.104 14.580 ( -0.043 0.079 0.054) 0.104======================= Grid point 162 (86/87) =======================q-point: ( 0.29 -0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 85Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.658 ( 2.528 -5.255 -3.216) 6.660 0.658 ( 2.528 5.255 -3.216) 6.660 0.774 ( -1.035 -3.310 0.043) 3.468 0.774 ( -1.035 3.310 0.043) 3.468 0.940 ( 3.383 -3.390 -0.686) 4.838 0.940 ( 3.383 3.390 -0.686) 4.838 1.197 ( 2.304 -1.729 2.201) 3.625 1.197 ( 2.304 1.729 2.201) 3.625 1.327 ( 0.435 -2.273 -0.615) 2.395 1.327 ( 0.435 2.273 -0.615) 2.395 1.427 ( -0.552 -3.004 -1.673) 3.483 1.427 ( -0.552 3.004 -1.673) 3.483 1.693 ( -5.423 -3.617 1.716) 6.741 1.693 ( -5.423 3.617 1.716) 6.741 1.788 ( -0.359 -1.712 -0.861) 1.950 1.788 ( -0.359 1.712 -0.861) 1.950 1.918 ( -1.813 -1.597 0.715) 2.520 1.918 ( -1.813 1.597 0.715) 2.520 2.198 ( 0.838 -2.448 0.303) 2.605 2.198 ( 0.838 2.448 0.303) 2.605 2.735 ( 0.388 -1.230 0.143) 1.298 2.735 ( 0.388 1.230 0.143) 1.298 2.843 ( 2.622 -1.239 0.116) 2.902 2.843 ( 2.622 1.239 0.116) 2.902 3.290 ( -1.625 -0.521 3.484) 3.879 3.290 ( -1.625 0.521 3.484) 3.879 3.337 ( 1.557 -0.594 -4.102) 4.427 3.337 ( 1.557 0.594 -4.102) 4.427 4.320 ( 1.095 -0.535 -1.214) 1.720 4.320 ( 1.095 0.535 -1.214) 1.720 4.414 ( -0.353 -0.555 1.611) 1.740 4.414 ( -0.353 0.555 1.611) 1.740 4.793 ( -1.182 -0.300 1.803) 2.177 4.793 ( -1.182 0.300 1.803) 2.177 4.833 ( 0.660 -1.193 -2.120) 2.520 4.833 ( 0.660 1.193 -2.120) 2.520 5.225 ( 0.240 -0.741 -0.932) 1.215 5.225 ( 0.240 0.741 -0.932) 1.215 5.302 ( 0.262 -1.791 1.461) 2.326 5.302 ( 0.262 1.791 1.461) 2.326 9.125 ( -0.031 -0.412 0.608) 0.735 9.125 ( -0.031 0.412 0.608) 0.735 9.205 ( 0.235 -0.302 -0.970) 1.043 9.205 ( 0.235 0.302 -0.970) 1.043 9.654 ( -0.282 -0.032 1.012) 1.051 9.654 ( -0.282 0.032 1.012) 1.051 9.736 ( 0.521 -1.149 0.420) 1.330 9.736 ( 0.521 1.149 0.420) 1.330 10.030 ( 0.888 -0.719 -0.421) 1.218 10.030 ( 0.888 0.719 -0.421) 1.218 10.157 ( 0.676 -0.036 3.152) 3.223 10.157 ( 0.676 0.036 3.152) 3.223 10.694 ( 0.004 -1.258 -2.439) 2.744 10.694 ( 0.004 1.258 -2.439) 2.744 10.738 ( -2.502 -1.256 0.996) 2.972 10.738 ( -2.502 1.256 0.996) 2.972 14.571 ( -0.101 -0.079 -0.033) 0.133 14.571 ( -0.101 0.079 -0.033) 0.133 14.579 ( -0.087 -0.059 0.038) 0.111 14.579 ( -0.087 0.059 0.038) 0.111======================= Grid point 164 (87/87) =======================q-point: ( 0.43 -0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 85Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.680 ( 0.992 -3.819 -1.271) 4.146 0.680 ( 0.992 3.819 -1.271) 4.146 0.757 ( -0.294 -2.311 -0.287) 2.347 0.757 ( -0.294 2.311 -0.287) 2.347 1.008 ( 2.528 -1.739 0.413) 3.096 1.008 ( 2.528 1.739 0.413) 3.096 1.242 ( 1.251 -0.987 0.368) 1.636 1.242 ( 1.251 0.987 0.368) 1.636 1.292 ( -2.087 -1.455 0.041) 2.545 1.292 ( -2.087 1.455 0.041) 2.545 1.446 ( 2.340 -2.889 -1.990) 4.217 1.446 ( 2.340 2.889 -1.990) 4.217 1.608 ( -3.811 -3.345 1.747) 5.363 1.608 ( -3.811 3.345 1.747) 5.363 1.759 ( -1.153 -0.341 -0.561) 1.326 1.759 ( -1.153 0.341 -0.561) 1.326 1.919 ( 0.384 -0.588 0.606) 0.928 1.919 ( 0.384 0.588 0.606) 0.928 2.210 ( 0.286 -0.970 0.125) 1.019 2.210 ( 0.286 0.970 0.125) 1.019 2.740 ( 0.144 -0.516 0.028) 0.537 2.740 ( 0.144 0.516 0.028) 0.537 2.880 ( 1.047 -0.535 0.040) 1.177 2.880 ( 1.047 0.535 0.040) 1.177 3.284 ( -0.564 -0.207 1.224) 1.364 3.284 ( -0.564 0.207 1.224) 1.364 3.338 ( 0.464 -0.215 -1.516) 1.600 3.338 ( 0.464 0.215 -1.516) 1.600 4.336 ( 0.911 -0.332 -0.617) 1.149 4.336 ( 0.911 0.332 -0.617) 1.149 4.410 ( -0.613 -0.345 0.808) 1.071 4.410 ( -0.613 0.345 0.808) 1.071 4.785 ( -0.414 -0.068 0.685) 0.803 4.785 ( -0.414 0.068 0.685) 0.803 4.832 ( 0.222 -0.452 -0.835) 0.975 4.832 ( 0.222 0.452 -0.835) 0.975 5.227 ( 0.247 -0.221 -0.356) 0.486 5.227 ( 0.247 0.221 -0.356) 0.486 5.311 ( -0.009 -0.740 0.607) 0.957 5.311 ( -0.009 0.740 0.607) 0.957 9.130 ( 0.103 -0.207 0.357) 0.425 9.130 ( 0.103 0.207 0.357) 0.425 9.201 ( -0.017 -0.172 -0.509) 0.537 9.201 ( -0.017 0.172 -0.509) 0.537 9.656 ( -0.055 -0.049 0.475) 0.480 9.656 ( -0.055 0.049 0.475) 0.480 9.743 ( 0.101 -0.427 0.083) 0.447 9.743 ( 0.101 0.427 0.083) 0.447 10.042 ( 0.413 -0.292 -0.109) 0.518 10.042 ( 0.413 0.292 -0.109) 0.518 10.181 ( 0.217 -0.183 1.486) 1.513 10.181 ( 0.217 0.183 1.486) 1.513 10.682 ( 0.469 -1.049 -2.390) 2.652 10.682 ( 0.469 1.049 -2.390) 2.652 10.706 ( -1.503 -0.936 1.614) 2.396 10.706 ( -1.503 0.936 1.614) 2.396 14.569 ( -0.036 -0.027 -0.008) 0.046 14.569 ( -0.036 0.027 -0.008) 0.046 14.578 ( -0.047 -0.018 0.010) 0.052 14.578 ( -0.047 0.018 0.010) 0.052=================== 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 3/13440 10.0 1.145 0.872 0.697 0.000 0.148 0.000 3/13440 20.0 0.425 0.347 0.391 0.000 0.012 0.000 3/13440 30.0 0.287 0.237 0.375 0.000 -0.038 0.000 3/13440 40.0 0.229 0.184 0.398 0.000 -0.068 0.000 3/13440 50.0 0.196 0.153 0.409 0.000 -0.085 0.000 3/13440 60.0 0.173 0.132 0.405 0.000 -0.091 0.000 3/13440 70.0 0.156 0.116 0.394 0.000 -0.093 0.000 3/13440 80.0 0.143 0.105 0.379 0.000 -0.091 0.000 3/13440 90.0 0.132 0.096 0.363 0.000 -0.088 0.000 3/13440 100.0 0.123 0.088 0.346 0.000 -0.084 0.000 3/13440 110.0 0.116 0.082 0.331 0.000 -0.079 0.000 3/13440 120.0 0.110 0.077 0.316 0.000 -0.075 0.000 3/13440 130.0 0.104 0.073 0.302 0.000 -0.072 0.000 3/13440 140.0 0.099 0.069 0.289 0.000 -0.068 0.000 3/13440 150.0 0.094 0.065 0.277 0.000 -0.064 0.000 3/13440 160.0 0.090 0.062 0.266 0.000 -0.061 0.000 3/13440 170.0 0.087 0.059 0.255 0.000 -0.058 0.000 3/13440 180.0 0.083 0.057 0.245 0.000 -0.056 0.000 3/13440 190.0 0.080 0.054 0.236 0.000 -0.053 0.000 3/13440 200.0 0.077 0.052 0.227 0.000 -0.051 0.000 3/13440 210.0 0.074 0.050 0.219 0.000 -0.049 0.000 3/13440 220.0 0.071 0.048 0.211 0.000 -0.047 0.000 3/13440 230.0 0.069 0.046 0.204 0.000 -0.045 0.000 3/13440 240.0 0.067 0.045 0.197 0.000 -0.043 0.000 3/13440 250.0 0.065 0.043 0.191 0.000 -0.042 0.000 3/13440 260.0 0.063 0.042 0.185 0.000 -0.040 0.000 3/13440 270.0 0.061 0.041 0.179 0.000 -0.039 0.000 3/13440 280.0 0.059 0.039 0.174 0.000 -0.038 0.000 3/13440 290.0 0.057 0.038 0.169 0.000 -0.036 0.000 3/13440 300.0 0.056 0.037 0.164 0.000 -0.035 0.000 3/13440 310.0 0.054 0.036 0.159 0.000 -0.034 0.000 3/13440 320.0 0.053 0.035 0.155 0.000 -0.033 0.000 3/13440 330.0 0.051 0.034 0.151 0.000 -0.032 0.000 3/13440 340.0 0.050 0.033 0.147 0.000 -0.031 0.000 3/13440 350.0 0.049 0.032 0.143 0.000 -0.030 0.000 3/13440 360.0 0.047 0.032 0.140 0.000 -0.030 0.000 3/13440 370.0 0.046 0.031 0.136 0.000 -0.029 0.000 3/13440 380.0 0.045 0.030 0.133 0.000 -0.028 0.000 3/13440 390.0 0.044 0.029 0.130 0.000 -0.027 0.000 3/13440 400.0 0.043 0.029 0.127 0.000 -0.027 0.000 3/13440 410.0 0.042 0.028 0.124 0.000 -0.026 0.000 3/13440 420.0 0.041 0.027 0.122 0.000 -0.025 0.000 3/13440 430.0 0.040 0.027 0.119 0.000 -0.025 0.000 3/13440 440.0 0.040 0.026 0.117 0.000 -0.024 0.000 3/13440 450.0 0.039 0.026 0.114 0.000 -0.024 0.000 3/13440 460.0 0.038 0.025 0.112 0.000 -0.023 0.000 3/13440 470.0 0.037 0.025 0.110 0.000 -0.023 0.000 3/13440 480.0 0.037 0.024 0.108 0.000 -0.022 0.000 3/13440 490.0 0.036 0.024 0.106 0.000 -0.022 0.000 3/13440 500.0 0.035 0.023 0.104 0.000 -0.022 0.000 3/13440 510.0 0.035 0.023 0.102 0.000 -0.021 0.000 3/13440 520.0 0.034 0.022 0.100 0.000 -0.021 0.000 3/13440 530.0 0.033 0.022 0.098 0.000 -0.020 0.000 3/13440 540.0 0.033 0.022 0.096 0.000 -0.020 0.000 3/13440 550.0 0.032 0.021 0.095 0.000 -0.020 0.000 3/13440 560.0 0.032 0.021 0.093 0.000 -0.019 0.000 3/13440 570.0 0.031 0.021 0.092 0.000 -0.019 0.000 3/13440 580.0 0.031 0.020 0.090 0.000 -0.019 0.000 3/13440 590.0 0.030 0.020 0.089 0.000 -0.018 0.000 3/13440 600.0 0.030 0.020 0.087 0.000 -0.018 0.000 3/13440 610.0 0.029 0.019 0.086 0.000 -0.018 0.000 3/13440 620.0 0.029 0.019 0.085 0.000 -0.017 0.000 3/13440 630.0 0.028 0.019 0.083 0.000 -0.017 0.000 3/13440 640.0 0.028 0.018 0.082 0.000 -0.017 0.000 3/13440 650.0 0.028 0.018 0.081 0.000 -0.017 0.000 3/13440 660.0 0.027 0.018 0.080 0.000 -0.016 0.000 3/13440 670.0 0.027 0.018 0.079 0.000 -0.016 0.000 3/13440 680.0 0.026 0.017 0.077 0.000 -0.016 0.000 3/13440 690.0 0.026 0.017 0.076 0.000 -0.016 0.000 3/13440 700.0 0.026 0.017 0.075 0.000 -0.015 0.000 3/13440 710.0 0.025 0.017 0.074 0.000 -0.015 0.000 3/13440 720.0 0.025 0.016 0.073 0.000 -0.015 0.000 3/13440 730.0 0.025 0.016 0.072 0.000 -0.015 0.000 3/13440 740.0 0.024 0.016 0.071 0.000 -0.015 0.000 3/13440 750.0 0.024 0.016 0.070 0.000 -0.014 0.000 3/13440 760.0 0.024 0.016 0.070 0.000 -0.014 0.000 3/13440 770.0 0.023 0.015 0.069 0.000 -0.014 0.000 3/13440 780.0 0.023 0.015 0.068 0.000 -0.014 0.000 3/13440 790.0 0.023 0.015 0.067 0.000 -0.014 0.000 3/13440 800.0 0.023 0.015 0.066 0.000 -0.014 0.000 3/13440 810.0 0.022 0.015 0.065 0.000 -0.013 0.000 3/13440 820.0 0.022 0.015 0.065 0.000 -0.013 0.000 3/13440 830.0 0.022 0.014 0.064 0.000 -0.013 0.000 3/13440 840.0 0.022 0.014 0.063 0.000 -0.013 0.000 3/13440 850.0 0.021 0.014 0.062 0.000 -0.013 0.000 3/13440 860.0 0.021 0.014 0.062 0.000 -0.013 0.000 3/13440 870.0 0.021 0.014 0.061 0.000 -0.012 0.000 3/13440 880.0 0.021 0.014 0.060 0.000 -0.012 0.000 3/13440 890.0 0.020 0.013 0.060 0.000 -0.012 0.000 3/13440 900.0 0.020 0.013 0.059 0.000 -0.012 0.000 3/13440 910.0 0.020 0.013 0.058 0.000 -0.012 0.000 3/13440 920.0 0.020 0.013 0.058 0.000 -0.012 0.000 3/13440 930.0 0.019 0.013 0.057 0.000 -0.012 0.000 3/13440 940.0 0.019 0.013 0.057 0.000 -0.012 0.000 3/13440 950.0 0.019 0.013 0.056 0.000 -0.011 0.000 3/13440 960.0 0.019 0.012 0.055 0.000 -0.011 0.000 3/13440 970.0 0.019 0.012 0.055 0.000 -0.011 0.000 3/13440 980.0 0.019 0.012 0.054 0.000 -0.011 0.000 3/13440 990.0 0.018 0.012 0.054 0.000 -0.011 0.000 3/13440 1000.0 0.018 0.012 0.053 0.000 -0.011 0.000 3/13440Thermal conductivity related properties were written into "kappa-m748.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 17:34:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|