----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 09:49:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: 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 7.590827449947895 0.000000000000000 0.000000000000000 b 0.000000000000000 12.785375370000001 0.000000000000000 c -1.793055386552820 0.000000000000000 6.479885241228921 Atomic positions (fractional): *1 Cs 0.74361299913300 0.42005368969148 0.21000002574960 132.905 2 Cs 0.25638700086700 0.92005368969148 0.28999997425040 132.905 3 Cs 0.25638700086700 0.57994631030852 0.78999997425040 132.905 4 Cs 0.74361299913300 0.07994631030852 0.71000002574960 132.905 *5 Ga 0.17880653387222 0.27290664836376 0.14876931767048 69.723 6 Ga 0.82119346612778 0.77290664836376 0.35123068232952 69.723 7 Ga 0.82119346612778 0.72709335163624 0.85123068232952 69.723 8 Ga 0.17880653387222 0.22709335163624 0.64876931767048 69.723 *9 Se 0.28993861727875 0.07287456975838 0.85264937583071 78.960 10 Se 0.71006138272125 0.57287456975839 0.64735062416929 78.960 11 Se 0.71006138272125 0.92712543024161 0.14735062416929 78.960 12 Se 0.28993861727875 0.42712543024161 0.35264937583071 78.960 *13 Se 0.00424317390504 0.66978674748957 0.18033732386693 78.960 14 Se 0.99575682609496 0.16978674748957 0.31966267613307 78.960 15 Se 0.99575682609496 0.33021325251043 0.81966267613307 78.960 16 Se 0.00424317390504 0.83021325251043 0.68033732386693 78.960 *17 Se 0.45037702436337 0.17518694460069 0.14004180827641 78.960 18 Se 0.54962297563663 0.67518694460068 0.35995819172359 78.960 19 Se 0.54962297563663 0.82481305539932 0.85995819172359 78.960 20 Se 0.45037702436337 0.32481305539931 0.64004180827641 78.960 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.590827449947895 0.000000000000000 0.000000000000000 b 0.000000000000000 12.785375370000001 0.000000000000000 c -1.793055386552820 0.000000000000000 6.479885241228921 Atomic positions (fractional): *1 Cs 0.74361299913300 0.42005368969148 0.21000002574960 132.905 > 1 2 Cs 0.25638700086700 0.92005368969148 0.28999997425040 132.905 > 2 3 Cs 0.25638700086700 0.57994631030852 0.78999997425040 132.905 > 3 4 Cs 0.74361299913300 0.07994631030852 0.71000002574960 132.905 > 4 *5 Ga 0.17880653387222 0.27290664836376 0.14876931767048 69.723 > 5 6 Ga 0.82119346612778 0.77290664836376 0.35123068232952 69.723 > 6 7 Ga 0.82119346612778 0.72709335163624 0.85123068232952 69.723 > 7 8 Ga 0.17880653387222 0.22709335163624 0.64876931767048 69.723 > 8 *9 Se 0.28993861727875 0.07287456975838 0.85264937583071 78.960 > 9 10 Se 0.71006138272125 0.57287456975839 0.64735062416929 78.960 > 10 11 Se 0.71006138272125 0.92712543024161 0.14735062416929 78.960 > 11 12 Se 0.28993861727875 0.42712543024161 0.35264937583071 78.960 > 12 *13 Se 0.00424317390504 0.66978674748957 0.18033732386693 78.960 > 13 14 Se 0.99575682609496 0.16978674748957 0.31966267613307 78.960 > 14 15 Se 0.99575682609496 0.33021325251043 0.81966267613307 78.960 > 15 16 Se 0.00424317390504 0.83021325251043 0.68033732386693 78.960 > 16 *17 Se 0.45037702436337 0.17518694460069 0.14004180827641 78.960 > 17 18 Se 0.54962297563663 0.67518694460068 0.35995819172359 78.960 > 18 19 Se 0.54962297563663 0.82481305539932 0.85995819172359 78.960 > 19 20 Se 0.45037702436337 0.32481305539931 0.64004180827641 78.960 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.181654899895790 0.000000000000000 0.000000000000000 b 0.000000000000000 12.785375370000001 0.000000000000000 c -3.586110773105640 0.000000000000000 12.959770482457841 Atomic positions (fractional): *1 Cs 0.37180649956650 0.42005368969148 0.10500001287480 132.905 > 1 2 Cs 0.87180649956650 0.42005368969148 0.10500001287480 132.905 > 1 3 Cs 0.37180649956650 0.42005368969148 0.60500001287480 132.905 > 1 4 Cs 0.87180649956650 0.42005368969148 0.60500001287480 132.905 > 1 5 Cs 0.12819350043350 0.92005368969148 0.14499998712520 132.905 > 2 6 Cs 0.62819350043350 0.92005368969148 0.14499998712520 132.905 > 2 7 Cs 0.12819350043350 0.92005368969148 0.64499998712520 132.905 > 2 8 Cs 0.62819350043350 0.92005368969148 0.64499998712520 132.905 > 2 9 Cs 0.12819350043350 0.57994631030852 0.39499998712520 132.905 > 3 10 Cs 0.62819350043350 0.57994631030852 0.39499998712520 132.905 > 3 11 Cs 0.12819350043350 0.57994631030852 0.89499998712520 132.905 > 3 12 Cs 0.62819350043350 0.57994631030852 0.89499998712520 132.905 > 3 13 Cs 0.37180649956650 0.07994631030852 0.35500001287480 132.905 > 4 14 Cs 0.87180649956650 0.07994631030852 0.35500001287480 132.905 > 4 15 Cs 0.37180649956650 0.07994631030852 0.85500001287480 132.905 > 4 16 Cs 0.87180649956650 0.07994631030852 0.85500001287480 132.905 > 4 *17 Ga 0.08940326693611 0.27290664836376 0.07438465883524 69.723 > 5 18 Ga 0.58940326693611 0.27290664836376 0.07438465883524 69.723 > 5 19 Ga 0.08940326693611 0.27290664836376 0.57438465883524 69.723 > 5 20 Ga 0.58940326693611 0.27290664836376 0.57438465883524 69.723 > 5 21 Ga 0.41059673306389 0.77290664836376 0.17561534116476 69.723 > 6 22 Ga 0.91059673306389 0.77290664836376 0.17561534116476 69.723 > 6 23 Ga 0.41059673306389 0.77290664836376 0.67561534116476 69.723 > 6 24 Ga 0.91059673306389 0.77290664836376 0.67561534116476 69.723 > 6 25 Ga 0.41059673306389 0.72709335163624 0.42561534116476 69.723 > 7 26 Ga 0.91059673306389 0.72709335163624 0.42561534116476 69.723 > 7 27 Ga 0.41059673306389 0.72709335163624 0.92561534116476 69.723 > 7 28 Ga 0.91059673306389 0.72709335163624 0.92561534116476 69.723 > 7 29 Ga 0.08940326693611 0.22709335163624 0.32438465883524 69.723 > 8 30 Ga 0.58940326693611 0.22709335163624 0.32438465883524 69.723 > 8 31 Ga 0.08940326693611 0.22709335163624 0.82438465883524 69.723 > 8 32 Ga 0.58940326693611 0.22709335163624 0.82438465883524 69.723 > 8 *33 Se 0.14496930863937 0.07287456975838 0.42632468791535 78.960 > 9 34 Se 0.64496930863937 0.07287456975838 0.42632468791535 78.960 > 9 35 Se 0.14496930863937 0.07287456975838 0.92632468791535 78.960 > 9 36 Se 0.64496930863937 0.07287456975838 0.92632468791535 78.960 > 9 37 Se 0.35503069136062 0.57287456975839 0.32367531208465 78.960 > 10 38 Se 0.85503069136062 0.57287456975839 0.32367531208465 78.960 > 10 39 Se 0.35503069136062 0.57287456975839 0.82367531208465 78.960 > 10 40 Se 0.85503069136062 0.57287456975839 0.82367531208465 78.960 > 10 41 Se 0.35503069136062 0.92712543024161 0.07367531208465 78.960 > 11 42 Se 0.85503069136062 0.92712543024161 0.07367531208465 78.960 > 11 43 Se 0.35503069136062 0.92712543024161 0.57367531208465 78.960 > 11 44 Se 0.85503069136062 0.92712543024161 0.57367531208465 78.960 > 11 45 Se 0.14496930863937 0.42712543024161 0.17632468791535 78.960 > 12 46 Se 0.64496930863937 0.42712543024161 0.17632468791535 78.960 > 12 47 Se 0.14496930863937 0.42712543024161 0.67632468791535 78.960 > 12 48 Se 0.64496930863937 0.42712543024161 0.67632468791535 78.960 > 12 *49 Se 0.00212158695252 0.66978674748957 0.09016866193346 78.960 > 13 50 Se 0.50212158695252 0.66978674748957 0.09016866193346 78.960 > 13 51 Se 0.00212158695252 0.66978674748957 0.59016866193346 78.960 > 13 52 Se 0.50212158695252 0.66978674748957 0.59016866193346 78.960 > 13 53 Se 0.49787841304748 0.16978674748957 0.15983133806654 78.960 > 14 54 Se 0.99787841304748 0.16978674748957 0.15983133806654 78.960 > 14 55 Se 0.49787841304748 0.16978674748957 0.65983133806654 78.960 > 14 56 Se 0.99787841304748 0.16978674748957 0.65983133806654 78.960 > 14 57 Se 0.49787841304748 0.33021325251043 0.40983133806654 78.960 > 15 58 Se 0.99787841304748 0.33021325251043 0.40983133806654 78.960 > 15 59 Se 0.49787841304748 0.33021325251043 0.90983133806654 78.960 > 15 60 Se 0.99787841304748 0.33021325251043 0.90983133806654 78.960 > 15 61 Se 0.00212158695252 0.83021325251043 0.34016866193346 78.960 > 16 62 Se 0.50212158695252 0.83021325251043 0.34016866193346 78.960 > 16 63 Se 0.00212158695252 0.83021325251043 0.84016866193346 78.960 > 16 64 Se 0.50212158695252 0.83021325251043 0.84016866193346 78.960 > 16 *65 Se 0.22518851218168 0.17518694460069 0.07002090413821 78.960 > 17 66 Se 0.72518851218168 0.17518694460069 0.07002090413821 78.960 > 17 67 Se 0.22518851218168 0.17518694460069 0.57002090413821 78.960 > 17 68 Se 0.72518851218168 0.17518694460069 0.57002090413821 78.960 > 17 69 Se 0.27481148781832 0.67518694460068 0.17997909586179 78.960 > 18 70 Se 0.77481148781832 0.67518694460068 0.17997909586179 78.960 > 18 71 Se 0.27481148781832 0.67518694460068 0.67997909586179 78.960 > 18 72 Se 0.77481148781832 0.67518694460068 0.67997909586179 78.960 > 18 73 Se 0.27481148781832 0.82481305539932 0.42997909586179 78.960 > 19 74 Se 0.77481148781832 0.82481305539932 0.42997909586179 78.960 > 19 75 Se 0.27481148781832 0.82481305539932 0.92997909586179 78.960 > 19 76 Se 0.77481148781832 0.82481305539932 0.92997909586179 78.960 > 19 77 Se 0.22518851218168 0.32481305539931 0.32002090413821 78.960 > 20 78 Se 0.72518851218168 0.32481305539931 0.32002090413821 78.960 > 20 79 Se 0.22518851218168 0.32481305539931 0.82002090413821 78.960 > 20 80 Se 0.72518851218168 0.32481305539931 0.82002090413821 78.960 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.8399892 0.0000000 -0.0811131 0.0000000 5.2258113 0.0000000 -0.0811127 0.0000000 5.8342186 -------------------------- Born effective charges -------------------------- 1 Cs 1.4697649 -0.0115213 -0.0580821 -0.0634075 1.5160865 0.0895425 -0.0419165 0.1216700 1.3901550 2 Cs 1.4697649 0.0115213 -0.0580821 0.0634075 1.5160865 -0.0895425 -0.0419165 -0.1216700 1.3901550 3 Cs 1.4697649 -0.0115213 -0.0580821 -0.0634075 1.5160865 0.0895425 -0.0419165 0.1216700 1.3901550 4 Cs 1.4697649 0.0115213 -0.0580821 0.0634075 1.5160865 -0.0895425 -0.0419165 -0.1216700 1.3901550 5 Ga 1.7416241 0.1799786 -0.2538028 -0.1044650 1.6862283 -0.0566376 -0.8332994 0.0782731 2.9268403 6 Ga 1.7416241 -0.1799786 -0.2538028 0.1044650 1.6862283 0.0566376 -0.8332994 -0.0782731 2.9268403 7 Ga 1.7416241 0.1799786 -0.2538028 -0.1044650 1.6862283 -0.0566376 -0.8332994 0.0782731 2.9268403 8 Ga 1.7416241 -0.1799786 -0.2538028 0.1044650 1.6862283 0.0566376 -0.8332994 -0.0782731 2.9268403 9 Se -0.6297450 0.2302671 0.1586886 0.2290737 -0.9527277 0.3412439 0.1504280 0.4018378 -1.0572646 10 Se -0.6297450 -0.2302671 0.1586886 -0.2290737 -0.9527277 -0.3412439 0.1504280 -0.4018378 -1.0572646 11 Se -0.6297450 0.2302671 0.1586886 0.2290737 -0.9527277 0.3412439 0.1504280 0.4018378 -1.0572646 12 Se -0.6297450 -0.2302671 0.1586886 -0.2290737 -0.9527277 -0.3412439 0.1504280 -0.4018378 -1.0572646 13 Se -1.5302176 0.4626770 0.2983099 0.3778393 -1.3663427 -0.0314910 0.3787211 -0.0661909 -2.4438573 14 Se -1.5302176 -0.4626770 0.2983099 -0.3778393 -1.3663427 0.0314910 0.3787211 0.0661909 -2.4438573 15 Se -1.5302176 0.4626770 0.2983099 0.3778393 -1.3663427 -0.0314910 0.3787211 -0.0661909 -2.4438573 16 Se -1.5302176 -0.4626770 0.2983099 -0.3778393 -1.3663427 0.0314910 0.3787211 0.0661909 -2.4438573 17 Se -1.0514264 0.0247487 -0.1451137 0.1715718 -0.8832443 0.2187810 0.3460669 0.1261050 -0.8158734 18 Se -1.0514264 -0.0247487 -0.1451137 -0.1715718 -0.8832443 -0.2187810 0.3460669 -0.1261050 -0.8158734 19 Se -1.0514264 0.0247487 -0.1451137 0.1715718 -0.8832443 0.2187810 0.3460669 0.1261050 -0.8158734 20 Se -1.0514264 -0.0247487 -0.1451137 -0.1715718 -0.8832443 -0.2187810 0.3460669 -0.1261050 -0.8158734 ---------------------------------------------------------------------------- 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: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1890 Number of blocks in projector: 1890 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 230 Use 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, 390), data: True |-- (400, 390), data: True |-- (400, 391), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 640 - Time: 2.471 Solver_block: 200 / 640 - Time: 2.234 Solver_block: 300 / 640 - Time: 2.216 Solver_block: 400 / 640 - Time: 2.160 Solver_block: 500 / 640 - Time: 2.175 Solver_block: 600 / 640 - Time: 2.199 Solver_block: 640 / 640 - Time: 0.949 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.476 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1890 Number of blocks in projector: 1890 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 230 Use 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, 390), data: True |-- (400, 390), data: True |-- (400, 391), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 09:50:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:50:02]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal 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 7.590827449947895 0.000000000000000 0.000000000000000 b 0.000000000000000 12.785375370000001 0.000000000000000 c -1.793055386552820 0.000000000000000 6.479885241228921 Atomic positions (fractional): 1 Cs 0.74361299913300 0.42005368969148 0.21000002574960 132.905 2 Cs 0.25638700086700 0.92005368969148 0.28999997425040 132.905 3 Cs 0.25638700086700 0.57994631030852 0.78999997425040 132.905 4 Cs 0.74361299913300 0.07994631030852 0.71000002574960 132.905 5 Ga 0.17880653387222 0.27290664836376 0.14876931767048 69.723 6 Ga 0.82119346612778 0.77290664836376 0.35123068232952 69.723 7 Ga 0.82119346612778 0.72709335163624 0.85123068232952 69.723 8 Ga 0.17880653387222 0.22709335163624 0.64876931767048 69.723 9 Se 0.28993861727875 0.07287456975838 0.85264937583071 78.960 10 Se 0.71006138272125 0.57287456975839 0.64735062416929 78.960 11 Se 0.71006138272125 0.92712543024161 0.14735062416929 78.960 12 Se 0.28993861727875 0.42712543024161 0.35264937583071 78.960 13 Se 0.00424317390504 0.66978674748957 0.18033732386693 78.960 14 Se 0.99575682609496 0.16978674748957 0.31966267613307 78.960 15 Se 0.99575682609496 0.33021325251043 0.81966267613307 78.960 16 Se 0.00424317390504 0.83021325251043 0.68033732386693 78.960 17 Se 0.45037702436337 0.17518694460069 0.14004180827641 78.960 18 Se 0.54962297563663 0.67518694460068 0.35995819172359 78.960 19 Se 0.54962297563663 0.82481305539932 0.85995819172359 78.960 20 Se 0.45037702436337 0.32481305539931 0.64004180827641 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.181654899895790 0.000000000000000 0.000000000000000 b 0.000000000000000 12.785375370000001 0.000000000000000 c -3.586110773105640 0.000000000000000 12.959770482457841 Atomic positions (fractional): 1 Cs 0.37180649956650 0.42005368969148 0.10500001287480 132.905 > 1 2 Cs 0.87180649956650 0.42005368969148 0.10500001287480 132.905 > 1 3 Cs 0.37180649956650 0.42005368969148 0.60500001287480 132.905 > 1 4 Cs 0.87180649956650 0.42005368969148 0.60500001287480 132.905 > 1 5 Cs 0.12819350043350 0.92005368969148 0.14499998712520 132.905 > 5 6 Cs 0.62819350043350 0.92005368969148 0.14499998712520 132.905 > 5 7 Cs 0.12819350043350 0.92005368969148 0.64499998712520 132.905 > 5 8 Cs 0.62819350043350 0.92005368969148 0.64499998712520 132.905 > 5 9 Cs 0.12819350043350 0.57994631030852 0.39499998712520 132.905 > 9 10 Cs 0.62819350043350 0.57994631030852 0.39499998712520 132.905 > 9 11 Cs 0.12819350043350 0.57994631030852 0.89499998712520 132.905 > 9 12 Cs 0.62819350043350 0.57994631030852 0.89499998712520 132.905 > 9 13 Cs 0.37180649956650 0.07994631030852 0.35500001287480 132.905 > 13 14 Cs 0.87180649956650 0.07994631030852 0.35500001287480 132.905 > 13 15 Cs 0.37180649956650 0.07994631030852 0.85500001287480 132.905 > 13 16 Cs 0.87180649956650 0.07994631030852 0.85500001287480 132.905 > 13 17 Ga 0.08940326693611 0.27290664836376 0.07438465883524 69.723 > 17 18 Ga 0.58940326693611 0.27290664836376 0.07438465883524 69.723 > 17 19 Ga 0.08940326693611 0.27290664836376 0.57438465883524 69.723 > 17 20 Ga 0.58940326693611 0.27290664836376 0.57438465883524 69.723 > 17 21 Ga 0.41059673306389 0.77290664836376 0.17561534116476 69.723 > 21 22 Ga 0.91059673306389 0.77290664836376 0.17561534116476 69.723 > 21 23 Ga 0.41059673306389 0.77290664836376 0.67561534116476 69.723 > 21 24 Ga 0.91059673306389 0.77290664836376 0.67561534116476 69.723 > 21 25 Ga 0.41059673306389 0.72709335163624 0.42561534116476 69.723 > 25 26 Ga 0.91059673306389 0.72709335163624 0.42561534116476 69.723 > 25 27 Ga 0.41059673306389 0.72709335163624 0.92561534116476 69.723 > 25 28 Ga 0.91059673306389 0.72709335163624 0.92561534116476 69.723 > 25 29 Ga 0.08940326693611 0.22709335163624 0.32438465883524 69.723 > 29 30 Ga 0.58940326693611 0.22709335163624 0.32438465883524 69.723 > 29 31 Ga 0.08940326693611 0.22709335163624 0.82438465883524 69.723 > 29 32 Ga 0.58940326693611 0.22709335163624 0.82438465883524 69.723 > 29 33 Se 0.14496930863937 0.07287456975838 0.42632468791535 78.960 > 33 34 Se 0.64496930863937 0.07287456975838 0.42632468791535 78.960 > 33 35 Se 0.14496930863937 0.07287456975838 0.92632468791535 78.960 > 33 36 Se 0.64496930863937 0.07287456975838 0.92632468791535 78.960 > 33 37 Se 0.35503069136062 0.57287456975839 0.32367531208465 78.960 > 37 38 Se 0.85503069136062 0.57287456975839 0.32367531208465 78.960 > 37 39 Se 0.35503069136062 0.57287456975839 0.82367531208465 78.960 > 37 40 Se 0.85503069136062 0.57287456975839 0.82367531208465 78.960 > 37 41 Se 0.35503069136062 0.92712543024161 0.07367531208465 78.960 > 41 42 Se 0.85503069136062 0.92712543024161 0.07367531208465 78.960 > 41 43 Se 0.35503069136062 0.92712543024161 0.57367531208465 78.960 > 41 44 Se 0.85503069136062 0.92712543024161 0.57367531208465 78.960 > 41 45 Se 0.14496930863937 0.42712543024161 0.17632468791535 78.960 > 45 46 Se 0.64496930863937 0.42712543024161 0.17632468791535 78.960 > 45 47 Se 0.14496930863937 0.42712543024161 0.67632468791535 78.960 > 45 48 Se 0.64496930863937 0.42712543024161 0.67632468791535 78.960 > 45 49 Se 0.00212158695252 0.66978674748957 0.09016866193346 78.960 > 49 50 Se 0.50212158695252 0.66978674748957 0.09016866193346 78.960 > 49 51 Se 0.00212158695252 0.66978674748957 0.59016866193346 78.960 > 49 52 Se 0.50212158695252 0.66978674748957 0.59016866193346 78.960 > 49 53 Se 0.49787841304748 0.16978674748957 0.15983133806654 78.960 > 53 54 Se 0.99787841304748 0.16978674748957 0.15983133806654 78.960 > 53 55 Se 0.49787841304748 0.16978674748957 0.65983133806654 78.960 > 53 56 Se 0.99787841304748 0.16978674748957 0.65983133806654 78.960 > 53 57 Se 0.49787841304748 0.33021325251043 0.40983133806654 78.960 > 57 58 Se 0.99787841304748 0.33021325251043 0.40983133806654 78.960 > 57 59 Se 0.49787841304748 0.33021325251043 0.90983133806654 78.960 > 57 60 Se 0.99787841304748 0.33021325251043 0.90983133806654 78.960 > 57 61 Se 0.00212158695252 0.83021325251043 0.34016866193346 78.960 > 61 62 Se 0.50212158695252 0.83021325251043 0.34016866193346 78.960 > 61 63 Se 0.00212158695252 0.83021325251043 0.84016866193346 78.960 > 61 64 Se 0.50212158695252 0.83021325251043 0.84016866193346 78.960 > 61 65 Se 0.22518851218168 0.17518694460069 0.07002090413821 78.960 > 65 66 Se 0.72518851218168 0.17518694460069 0.07002090413821 78.960 > 65 67 Se 0.22518851218168 0.17518694460069 0.57002090413821 78.960 > 65 68 Se 0.72518851218168 0.17518694460069 0.57002090413821 78.960 > 65 69 Se 0.27481148781832 0.67518694460068 0.17997909586179 78.960 > 69 70 Se 0.77481148781832 0.67518694460068 0.17997909586179 78.960 > 69 71 Se 0.27481148781832 0.67518694460068 0.67997909586179 78.960 > 69 72 Se 0.77481148781832 0.67518694460068 0.67997909586179 78.960 > 69 73 Se 0.27481148781832 0.82481305539932 0.42997909586179 78.960 > 73 74 Se 0.77481148781832 0.82481305539932 0.42997909586179 78.960 > 73 75 Se 0.27481148781832 0.82481305539932 0.92997909586179 78.960 > 73 76 Se 0.77481148781832 0.82481305539932 0.92997909586179 78.960 > 73 77 Se 0.22518851218168 0.32481305539931 0.32002090413821 78.960 > 77 78 Se 0.72518851218168 0.32481305539931 0.32002090413821 78.960 > 77 79 Se 0.22518851218168 0.32481305539931 0.82002090413821 78.960 > 77 80 Se 0.72518851218168 0.32481305539931 0.82002090413821 78.960 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.8399892 0.0000000 -0.0811131 0.0000000 5.2258113 0.0000000 -0.0811127 0.0000000 5.8342186 -------------------------- Born effective charges -------------------------- 1 Cs 1.4697649 -0.0115213 -0.0580821 -0.0634075 1.5160865 0.0895425 -0.0419165 0.1216700 1.3901550 2 Cs 1.4697649 0.0115213 -0.0580821 0.0634075 1.5160865 -0.0895425 -0.0419165 -0.1216700 1.3901550 3 Cs 1.4697649 -0.0115213 -0.0580821 -0.0634075 1.5160865 0.0895425 -0.0419165 0.1216700 1.3901550 4 Cs 1.4697649 0.0115213 -0.0580821 0.0634075 1.5160865 -0.0895425 -0.0419165 -0.1216700 1.3901550 5 Ga 1.7416241 0.1799786 -0.2538028 -0.1044650 1.6862283 -0.0566376 -0.8332994 0.0782731 2.9268403 6 Ga 1.7416241 -0.1799786 -0.2538028 0.1044650 1.6862283 0.0566376 -0.8332994 -0.0782731 2.9268403 7 Ga 1.7416241 0.1799786 -0.2538028 -0.1044650 1.6862283 -0.0566376 -0.8332994 0.0782731 2.9268403 8 Ga 1.7416241 -0.1799786 -0.2538028 0.1044650 1.6862283 0.0566376 -0.8332994 -0.0782731 2.9268403 9 Se -0.6297450 0.2302671 0.1586886 0.2290737 -0.9527277 0.3412439 0.1504280 0.4018378 -1.0572646 10 Se -0.6297450 -0.2302671 0.1586886 -0.2290737 -0.9527277 -0.3412439 0.1504280 -0.4018378 -1.0572646 11 Se -0.6297450 0.2302671 0.1586886 0.2290737 -0.9527277 0.3412439 0.1504280 0.4018378 -1.0572646 12 Se -0.6297450 -0.2302671 0.1586886 -0.2290737 -0.9527277 -0.3412439 0.1504280 -0.4018378 -1.0572646 13 Se -1.5302176 0.4626770 0.2983099 0.3778393 -1.3663427 -0.0314910 0.3787211 -0.0661909 -2.4438573 14 Se -1.5302176 -0.4626770 0.2983099 -0.3778393 -1.3663427 0.0314910 0.3787211 0.0661909 -2.4438573 15 Se -1.5302176 0.4626770 0.2983099 0.3778393 -1.3663427 -0.0314910 0.3787211 -0.0661909 -2.4438573 16 Se -1.5302176 -0.4626770 0.2983099 -0.3778393 -1.3663427 0.0314910 0.3787211 0.0661909 -2.4438573 17 Se -1.0514264 0.0247487 -0.1451137 0.1715718 -0.8832443 0.2187810 0.3460669 0.1261050 -0.8158734 18 Se -1.0514264 -0.0247487 -0.1451137 -0.1715718 -0.8832443 -0.2187810 0.3460669 -0.1261050 -0.8158734 19 Se -1.0514264 0.0247487 -0.1451137 0.1715718 -0.8832443 0.2187810 0.3460669 0.1261050 -0.8158734 20 Se -1.0514264 -0.0247487 -0.1451137 -0.1715718 -0.8832443 -0.2187810 0.3460669 -0.1261050 -0.8158734 ---------------------------------------------------------------------------- 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000003 (yyy) -0.00000003 (yyy) -0.00000003 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000005 (xz) -0.00000005 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency 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 09:50:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:50:17]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal 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 7.590827449947895 0.000000000000000 0.000000000000000 b 0.000000000000000 12.785375370000001 0.000000000000000 c -1.793055386552820 0.000000000000000 6.479885241228921 Atomic positions (fractional): 1 Cs 0.74361299913300 0.42005368969148 0.21000002574960 132.905 2 Cs 0.25638700086700 0.92005368969148 0.28999997425040 132.905 3 Cs 0.25638700086700 0.57994631030852 0.78999997425040 132.905 4 Cs 0.74361299913300 0.07994631030852 0.71000002574960 132.905 5 Ga 0.17880653387222 0.27290664836376 0.14876931767048 69.723 6 Ga 0.82119346612778 0.77290664836376 0.35123068232952 69.723 7 Ga 0.82119346612778 0.72709335163624 0.85123068232952 69.723 8 Ga 0.17880653387222 0.22709335163624 0.64876931767048 69.723 9 Se 0.28993861727875 0.07287456975838 0.85264937583071 78.960 10 Se 0.71006138272125 0.57287456975839 0.64735062416929 78.960 11 Se 0.71006138272125 0.92712543024161 0.14735062416929 78.960 12 Se 0.28993861727875 0.42712543024161 0.35264937583071 78.960 13 Se 0.00424317390504 0.66978674748957 0.18033732386693 78.960 14 Se 0.99575682609496 0.16978674748957 0.31966267613307 78.960 15 Se 0.99575682609496 0.33021325251043 0.81966267613307 78.960 16 Se 0.00424317390504 0.83021325251043 0.68033732386693 78.960 17 Se 0.45037702436337 0.17518694460069 0.14004180827641 78.960 18 Se 0.54962297563663 0.67518694460068 0.35995819172359 78.960 19 Se 0.54962297563663 0.82481305539932 0.85995819172359 78.960 20 Se 0.45037702436337 0.32481305539931 0.64004180827641 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.181654899895790 0.000000000000000 0.000000000000000 b 0.000000000000000 12.785375370000001 0.000000000000000 c -3.586110773105640 0.000000000000000 12.959770482457841 Atomic positions (fractional): 1 Cs 0.37180649956650 0.42005368969148 0.10500001287480 132.905 > 1 2 Cs 0.87180649956650 0.42005368969148 0.10500001287480 132.905 > 1 3 Cs 0.37180649956650 0.42005368969148 0.60500001287480 132.905 > 1 4 Cs 0.87180649956650 0.42005368969148 0.60500001287480 132.905 > 1 5 Cs 0.12819350043350 0.92005368969148 0.14499998712520 132.905 > 5 6 Cs 0.62819350043350 0.92005368969148 0.14499998712520 132.905 > 5 7 Cs 0.12819350043350 0.92005368969148 0.64499998712520 132.905 > 5 8 Cs 0.62819350043350 0.92005368969148 0.64499998712520 132.905 > 5 9 Cs 0.12819350043350 0.57994631030852 0.39499998712520 132.905 > 9 10 Cs 0.62819350043350 0.57994631030852 0.39499998712520 132.905 > 9 11 Cs 0.12819350043350 0.57994631030852 0.89499998712520 132.905 > 9 12 Cs 0.62819350043350 0.57994631030852 0.89499998712520 132.905 > 9 13 Cs 0.37180649956650 0.07994631030852 0.35500001287480 132.905 > 13 14 Cs 0.87180649956650 0.07994631030852 0.35500001287480 132.905 > 13 15 Cs 0.37180649956650 0.07994631030852 0.85500001287480 132.905 > 13 16 Cs 0.87180649956650 0.07994631030852 0.85500001287480 132.905 > 13 17 Ga 0.08940326693611 0.27290664836376 0.07438465883524 69.723 > 17 18 Ga 0.58940326693611 0.27290664836376 0.07438465883524 69.723 > 17 19 Ga 0.08940326693611 0.27290664836376 0.57438465883524 69.723 > 17 20 Ga 0.58940326693611 0.27290664836376 0.57438465883524 69.723 > 17 21 Ga 0.41059673306389 0.77290664836376 0.17561534116476 69.723 > 21 22 Ga 0.91059673306389 0.77290664836376 0.17561534116476 69.723 > 21 23 Ga 0.41059673306389 0.77290664836376 0.67561534116476 69.723 > 21 24 Ga 0.91059673306389 0.77290664836376 0.67561534116476 69.723 > 21 25 Ga 0.41059673306389 0.72709335163624 0.42561534116476 69.723 > 25 26 Ga 0.91059673306389 0.72709335163624 0.42561534116476 69.723 > 25 27 Ga 0.41059673306389 0.72709335163624 0.92561534116476 69.723 > 25 28 Ga 0.91059673306389 0.72709335163624 0.92561534116476 69.723 > 25 29 Ga 0.08940326693611 0.22709335163624 0.32438465883524 69.723 > 29 30 Ga 0.58940326693611 0.22709335163624 0.32438465883524 69.723 > 29 31 Ga 0.08940326693611 0.22709335163624 0.82438465883524 69.723 > 29 32 Ga 0.58940326693611 0.22709335163624 0.82438465883524 69.723 > 29 33 Se 0.14496930863937 0.07287456975838 0.42632468791535 78.960 > 33 34 Se 0.64496930863937 0.07287456975838 0.42632468791535 78.960 > 33 35 Se 0.14496930863937 0.07287456975838 0.92632468791535 78.960 > 33 36 Se 0.64496930863937 0.07287456975838 0.92632468791535 78.960 > 33 37 Se 0.35503069136062 0.57287456975839 0.32367531208465 78.960 > 37 38 Se 0.85503069136062 0.57287456975839 0.32367531208465 78.960 > 37 39 Se 0.35503069136062 0.57287456975839 0.82367531208465 78.960 > 37 40 Se 0.85503069136062 0.57287456975839 0.82367531208465 78.960 > 37 41 Se 0.35503069136062 0.92712543024161 0.07367531208465 78.960 > 41 42 Se 0.85503069136062 0.92712543024161 0.07367531208465 78.960 > 41 43 Se 0.35503069136062 0.92712543024161 0.57367531208465 78.960 > 41 44 Se 0.85503069136062 0.92712543024161 0.57367531208465 78.960 > 41 45 Se 0.14496930863937 0.42712543024161 0.17632468791535 78.960 > 45 46 Se 0.64496930863937 0.42712543024161 0.17632468791535 78.960 > 45 47 Se 0.14496930863937 0.42712543024161 0.67632468791535 78.960 > 45 48 Se 0.64496930863937 0.42712543024161 0.67632468791535 78.960 > 45 49 Se 0.00212158695252 0.66978674748957 0.09016866193346 78.960 > 49 50 Se 0.50212158695252 0.66978674748957 0.09016866193346 78.960 > 49 51 Se 0.00212158695252 0.66978674748957 0.59016866193346 78.960 > 49 52 Se 0.50212158695252 0.66978674748957 0.59016866193346 78.960 > 49 53 Se 0.49787841304748 0.16978674748957 0.15983133806654 78.960 > 53 54 Se 0.99787841304748 0.16978674748957 0.15983133806654 78.960 > 53 55 Se 0.49787841304748 0.16978674748957 0.65983133806654 78.960 > 53 56 Se 0.99787841304748 0.16978674748957 0.65983133806654 78.960 > 53 57 Se 0.49787841304748 0.33021325251043 0.40983133806654 78.960 > 57 58 Se 0.99787841304748 0.33021325251043 0.40983133806654 78.960 > 57 59 Se 0.49787841304748 0.33021325251043 0.90983133806654 78.960 > 57 60 Se 0.99787841304748 0.33021325251043 0.90983133806654 78.960 > 57 61 Se 0.00212158695252 0.83021325251043 0.34016866193346 78.960 > 61 62 Se 0.50212158695252 0.83021325251043 0.34016866193346 78.960 > 61 63 Se 0.00212158695252 0.83021325251043 0.84016866193346 78.960 > 61 64 Se 0.50212158695252 0.83021325251043 0.84016866193346 78.960 > 61 65 Se 0.22518851218168 0.17518694460069 0.07002090413821 78.960 > 65 66 Se 0.72518851218168 0.17518694460069 0.07002090413821 78.960 > 65 67 Se 0.22518851218168 0.17518694460069 0.57002090413821 78.960 > 65 68 Se 0.72518851218168 0.17518694460069 0.57002090413821 78.960 > 65 69 Se 0.27481148781832 0.67518694460068 0.17997909586179 78.960 > 69 70 Se 0.77481148781832 0.67518694460068 0.17997909586179 78.960 > 69 71 Se 0.27481148781832 0.67518694460068 0.67997909586179 78.960 > 69 72 Se 0.77481148781832 0.67518694460068 0.67997909586179 78.960 > 69 73 Se 0.27481148781832 0.82481305539932 0.42997909586179 78.960 > 73 74 Se 0.77481148781832 0.82481305539932 0.42997909586179 78.960 > 73 75 Se 0.27481148781832 0.82481305539932 0.92997909586179 78.960 > 73 76 Se 0.77481148781832 0.82481305539932 0.92997909586179 78.960 > 73 77 Se 0.22518851218168 0.32481305539931 0.32002090413821 78.960 > 77 78 Se 0.72518851218168 0.32481305539931 0.32002090413821 78.960 > 77 79 Se 0.22518851218168 0.32481305539931 0.82002090413821 78.960 > 77 80 Se 0.72518851218168 0.32481305539931 0.82002090413821 78.960 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.8399892 0.0000000 -0.0811131 0.0000000 5.2258113 0.0000000 -0.0811127 0.0000000 5.8342186 -------------------------- Born effective charges -------------------------- 1 Cs 1.4697649 -0.0115213 -0.0580821 -0.0634075 1.5160865 0.0895425 -0.0419165 0.1216700 1.3901550 2 Cs 1.4697649 0.0115213 -0.0580821 0.0634075 1.5160865 -0.0895425 -0.0419165 -0.1216700 1.3901550 3 Cs 1.4697649 -0.0115213 -0.0580821 -0.0634075 1.5160865 0.0895425 -0.0419165 0.1216700 1.3901550 4 Cs 1.4697649 0.0115213 -0.0580821 0.0634075 1.5160865 -0.0895425 -0.0419165 -0.1216700 1.3901550 5 Ga 1.7416241 0.1799786 -0.2538028 -0.1044650 1.6862283 -0.0566376 -0.8332994 0.0782731 2.9268403 6 Ga 1.7416241 -0.1799786 -0.2538028 0.1044650 1.6862283 0.0566376 -0.8332994 -0.0782731 2.9268403 7 Ga 1.7416241 0.1799786 -0.2538028 -0.1044650 1.6862283 -0.0566376 -0.8332994 0.0782731 2.9268403 8 Ga 1.7416241 -0.1799786 -0.2538028 0.1044650 1.6862283 0.0566376 -0.8332994 -0.0782731 2.9268403 9 Se -0.6297450 0.2302671 0.1586886 0.2290737 -0.9527277 0.3412439 0.1504280 0.4018378 -1.0572646 10 Se -0.6297450 -0.2302671 0.1586886 -0.2290737 -0.9527277 -0.3412439 0.1504280 -0.4018378 -1.0572646 11 Se -0.6297450 0.2302671 0.1586886 0.2290737 -0.9527277 0.3412439 0.1504280 0.4018378 -1.0572646 12 Se -0.6297450 -0.2302671 0.1586886 -0.2290737 -0.9527277 -0.3412439 0.1504280 -0.4018378 -1.0572646 13 Se -1.5302176 0.4626770 0.2983099 0.3778393 -1.3663427 -0.0314910 0.3787211 -0.0661909 -2.4438573 14 Se -1.5302176 -0.4626770 0.2983099 -0.3778393 -1.3663427 0.0314910 0.3787211 0.0661909 -2.4438573 15 Se -1.5302176 0.4626770 0.2983099 0.3778393 -1.3663427 -0.0314910 0.3787211 -0.0661909 -2.4438573 16 Se -1.5302176 -0.4626770 0.2983099 -0.3778393 -1.3663427 0.0314910 0.3787211 0.0661909 -2.4438573 17 Se -1.0514264 0.0247487 -0.1451137 0.1715718 -0.8832443 0.2187810 0.3460669 0.1261050 -0.8158734 18 Se -1.0514264 -0.0247487 -0.1451137 -0.1715718 -0.8832443 -0.2187810 0.3460669 -0.1261050 -0.8158734 19 Se -1.0514264 0.0247487 -0.1451137 0.1715718 -0.8832443 0.2187810 0.3460669 0.1261050 -0.8158734 20 Se -1.0514264 -0.0247487 -0.1451137 -0.1715718 -0.8832443 -0.2187810 0.3460669 -0.1261050 -0.8158734 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000003 (yyy) -0.00000003 (yyy) -0.00000003 (yyy) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating 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: 0.48, Number of G-points: 307, Lambda: 0.12 Running 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): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency 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 0.499 ( 0.000 0.000 0.000) 0.000 0.678 ( 0.000 0.000 0.000) 0.000 0.732 ( 0.000 0.000 0.000) 0.000 0.859 ( 0.000 0.000 0.000) 0.000 0.869 ( 0.000 0.000 0.000) 0.000 0.934 ( 0.000 0.000 0.000) 0.000 0.997 ( 0.000 0.000 0.000) 0.000 1.029 ( 0.000 0.000 0.000) 0.000 1.183 ( 0.000 0.000 0.000) 0.000 1.256 ( 0.000 0.000 0.000) 0.000 1.382 ( 0.000 0.000 0.000) 0.000 1.518 ( 0.000 0.000 0.000) 0.000 1.531 ( 0.000 0.000 0.000) 0.000 1.544 ( 0.000 0.000 0.000) 0.000 1.589 ( 0.000 0.000 0.000) 0.000 1.714 ( 0.000 0.000 0.000) 0.000 1.739 ( 0.000 0.000 0.000) 0.000 1.749 ( 0.000 0.000 0.000) 0.000 1.829 ( 0.000 0.000 0.000) 0.000 1.998 ( 0.000 0.000 0.000) 0.000 2.002 ( 0.000 0.000 0.000) 0.000 2.187 ( 0.000 0.000 0.000) 0.000 2.206 ( 0.000 0.000 0.000) 0.000 2.595 ( 0.000 0.000 0.000) 0.000 2.607 ( 0.000 0.000 0.000) 0.000 2.612 ( 0.000 0.000 0.000) 0.000 2.638 ( 0.000 0.000 0.000) 0.000 2.701 ( 0.000 0.000 0.000) 0.000 2.723 ( 0.000 0.000 0.000) 0.000 2.814 ( 0.000 0.000 0.000) 0.000 2.840 ( 0.000 0.000 0.000) 0.000 3.090 ( 0.000 0.000 0.000) 0.000 3.114 ( 0.000 0.000 0.000) 0.000 3.357 ( 0.000 0.000 0.000) 0.000 3.396 ( 0.000 0.000 0.000) 0.000 3.633 ( 0.000 0.000 0.000) 0.000 3.651 ( 0.000 0.000 0.000) 0.000 5.308 ( 0.000 0.000 0.000) 0.000 5.322 ( 0.000 0.000 0.000) 0.000 5.377 ( 0.000 0.000 0.000) 0.000 5.379 ( 0.000 0.000 0.000) 0.000 6.451 ( 0.000 0.000 0.000) 0.000 6.469 ( 0.000 0.000 0.000) 0.000 6.883 ( 0.000 0.000 0.000) 0.000 6.891 ( 0.000 0.000 0.000) 0.000 6.939 ( 0.000 0.000 0.000) 0.000 6.954 ( 0.000 0.000 0.000) 0.000 7.272 ( 0.000 0.000 0.000) 0.000 7.415 ( 0.000 0.000 0.000) 0.000 7.828 ( 0.000 0.000 0.000) 0.000 7.829 ( 0.000 0.000 0.000) 0.000 7.856 ( 0.000 0.000 0.000) 0.000 7.944 ( 0.000 0.000 0.000) 0.000 8.020 ( 0.000 0.000 0.000) 0.000 8.047 ( 0.000 0.000 0.000) 0.000 8.080 ( 0.000 0.000 0.000) 0.000 8.142 ( 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): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.152 ( 3.291 0.000 16.043) 16.377 0.272 ( 13.653 0.000 1.860) 13.779 0.389 ( 18.440 0.000 5.530) 19.252 0.527 ( 1.568 0.000 3.956) 4.256 0.658 ( -1.496 0.000 -3.144) 3.481 0.729 ( -0.458 0.000 0.773) 0.898 0.875 ( 0.727 0.000 1.933) 2.065 0.877 ( 0.838 0.000 -0.773) 1.140 0.999 ( 0.403 0.000 5.622) 5.637 1.016 ( -2.005 0.000 2.504) 3.208 1.031 ( 0.232 0.000 4.825) 4.831 1.164 ( -1.549 0.000 -0.695) 1.697 1.247 ( -0.616 0.000 -0.952) 1.133 1.320 ( -6.048 0.000 2.466) 6.532 1.455 ( -5.556 0.000 -1.009) 5.647 1.522 ( 1.151 0.000 -2.632) 2.873 1.610 ( -0.669 0.000 2.233) 2.331 1.679 ( -5.065 0.000 -0.044) 5.065 1.700 ( -3.304 0.000 0.468) 3.337 1.763 ( 4.845 0.000 -0.207) 4.849 1.775 ( 3.515 0.000 -1.133) 3.693 1.933 ( -0.228 0.000 -3.709) 3.716 1.980 ( -0.429 0.000 0.196) 0.472 2.019 ( 0.937 0.000 0.311) 0.988 2.172 ( 0.580 0.000 -0.281) 0.645 2.260 ( 2.912 0.000 0.810) 3.023 2.598 ( 0.523 0.000 -0.003) 0.523 2.610 ( 0.202 0.000 -1.589) 1.602 2.631 ( -0.831 0.000 0.815) 1.164 2.641 ( 2.153 0.000 -5.561) 5.963 2.679 ( -1.104 0.000 -2.369) 2.613 2.724 ( -0.681 0.000 1.247) 1.420 2.821 ( -1.339 0.000 1.248) 1.830 2.859 ( 1.258 0.000 -0.637) 1.410 3.073 ( -1.481 0.000 -0.291) 1.510 3.114 ( -0.187 0.000 0.094) 0.210 3.353 ( -0.347 0.000 -0.205) 0.403 3.391 ( -0.059 0.000 -2.380) 2.381 3.634 ( -0.138 0.000 0.405) 0.428 3.657 ( 0.716 0.000 0.126) 0.727 5.305 ( -0.388 0.000 -0.300) 0.490 5.329 ( 0.445 0.000 0.179) 0.479 5.377 ( 0.060 0.000 0.145) 0.156 5.384 ( 0.393 0.000 -0.037) 0.394 6.457 ( 0.852 0.000 -5.025) 5.097 6.472 ( 1.337 0.000 -4.714) 4.900 6.884 ( -0.095 0.000 0.595) 0.603 6.896 ( -0.424 0.000 1.727) 1.779 6.936 ( -0.256 0.000 -0.106) 0.277 6.954 ( 0.037 0.000 -0.047) 0.060 7.271 ( -0.003 0.000 -0.354) 0.354 7.423 ( 0.877 0.000 0.121) 0.886 7.822 ( -0.532 0.000 -0.153) 0.553 7.839 ( 0.840 0.000 0.435) 0.946 7.922 ( -1.955 0.000 -0.698) 2.076 8.008 ( -0.253 0.000 0.360) 0.440 8.049 ( 0.120 0.000 0.339) 0.360 8.083 ( 0.116 0.000 0.595) 0.606 8.109 ( -0.659 0.000 1.621) 1.750 8.138 ( -0.330 0.000 -0.309) 0.452 ======================= Grid point 2 (3/87) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.284 ( 2.483 0.000 13.046) 13.280 0.514 ( 9.859 0.000 -1.957) 10.051 0.587 ( 2.419 0.000 9.196) 9.509 0.595 ( -2.244 0.000 -4.682) 5.192 0.730 ( 0.624 0.000 0.019) 0.624 0.735 ( 14.506 0.000 4.227) 15.109 0.882 ( 0.076 0.000 -0.725) 0.729 0.890 ( -0.126 0.000 3.350) 3.352 0.989 ( -1.767 0.000 1.795) 2.519 1.056 ( 1.017 0.000 1.156) 1.539 1.073 ( 4.552 0.000 0.800) 4.621 1.128 ( -2.285 0.000 1.582) 2.780 1.221 ( -4.767 0.000 0.526) 4.796 1.230 ( -0.227 0.000 -1.312) 1.332 1.323 ( -7.731 0.000 -0.685) 7.761 1.535 ( 1.308 0.000 -1.745) 2.181 1.559 ( -7.505 0.000 0.923) 7.561 1.598 ( -1.035 0.000 0.500) 1.150 1.638 ( -2.905 0.000 -0.941) 3.053 1.824 ( 2.777 0.000 -1.181) 3.018 1.867 ( 4.724 0.000 0.546) 4.756 1.875 ( -3.361 0.000 -1.344) 3.619 1.981 ( 0.135 0.000 -1.033) 1.042 2.038 ( 0.666 0.000 0.866) 1.093 2.206 ( 2.444 0.000 0.041) 2.444 2.310 ( 1.701 0.000 1.039) 1.993 2.603 ( 0.286 0.000 -2.382) 2.399 2.616 ( 1.141 0.000 0.558) 1.270 2.622 ( -0.695 0.000 1.182) 1.372 2.646 ( -1.085 0.000 -1.907) 2.194 2.651 ( 1.235 0.000 -3.416) 3.633 2.707 ( -1.573 0.000 0.719) 1.730 2.802 ( -1.277 0.000 1.041) 1.648 2.879 ( 0.996 0.000 -0.159) 1.009 3.041 ( -1.569 0.000 -0.285) 1.594 3.107 ( -0.547 0.000 0.093) 0.555 3.344 ( -0.459 0.000 -0.211) 0.505 3.374 ( -0.591 0.000 -1.444) 1.561 3.630 ( -0.384 0.000 0.236) 0.451 3.675 ( 0.921 0.000 0.355) 0.987 5.298 ( -0.224 0.000 -0.256) 0.340 5.337 ( 0.307 0.000 0.074) 0.316 5.381 ( 0.222 0.000 0.115) 0.250 5.391 ( 0.349 0.000 0.006) 0.349 6.450 ( 0.209 0.000 -1.373) 1.389 6.469 ( 0.346 0.000 -2.365) 2.390 6.884 ( -0.192 0.000 0.623) 0.652 6.897 ( -0.049 0.000 0.450) 0.453 6.930 ( -0.328 0.000 -0.129) 0.352 6.954 ( -0.009 0.000 -0.082) 0.082 7.268 ( -0.032 0.000 -0.462) 0.463 7.447 ( 1.359 0.000 0.249) 1.382 7.809 ( -0.676 0.000 -0.194) 0.703 7.860 ( 0.951 0.000 0.568) 1.108 7.874 ( -2.399 0.000 -0.782) 2.523 8.004 ( -0.275 0.000 -0.110) 0.296 8.053 ( 0.095 0.000 0.360) 0.372 8.089 ( 0.152 0.000 0.788) 0.802 8.105 ( -0.262 0.000 0.338) 0.427 8.128 ( -0.462 0.000 -0.526) 0.700 ======================= Grid point 3 (4/87) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.370 ( 1.012 0.000 6.133) 6.216 0.541 ( -0.903 0.000 -3.296) 3.418 0.561 ( -0.217 0.000 0.246) 0.328 0.717 ( 1.806 0.000 1.339) 2.248 0.780 ( 5.302 0.000 3.851) 6.553 0.863 ( 0.176 0.000 0.617) 0.642 0.877 ( -0.555 0.000 -1.630) 1.721 0.985 ( 2.349 0.000 -1.623) 2.855 0.985 ( 3.883 0.000 3.831) 5.455 1.091 ( -4.521 0.000 4.400) 6.308 1.097 ( 3.032 0.000 -0.096) 3.034 1.139 ( -3.241 0.000 -1.950) 3.782 1.142 ( 2.998 0.000 -1.383) 3.301 1.199 ( -3.122 0.000 -0.478) 3.159 1.244 ( 2.549 0.000 -0.597) 2.618 1.412 ( -7.828 0.000 0.663) 7.856 1.548 ( 0.660 0.000 -0.662) 0.935 1.584 ( -0.444 0.000 -0.009) 0.444 1.595 ( -1.079 0.000 -0.494) 1.187 1.818 ( -1.727 0.000 -0.407) 1.775 1.857 ( 1.021 0.000 -0.367) 1.084 1.933 ( 1.805 0.000 0.241) 1.821 1.975 ( -0.156 0.000 -0.326) 0.361 2.051 ( 0.245 0.000 0.428) 0.493 2.244 ( 1.235 0.000 -0.140) 1.243 2.334 ( 0.508 0.000 0.491) 0.707 2.601 ( 0.634 0.000 -1.661) 1.778 2.615 ( -0.849 0.000 1.235) 1.498 2.625 ( -0.049 0.000 -0.937) 0.939 2.640 ( 0.550 0.000 1.437) 1.538 2.652 ( 0.520 0.000 -2.423) 2.479 2.681 ( -1.114 0.000 0.290) 1.152 2.787 ( -0.621 0.000 0.434) 0.758 2.892 ( 0.387 0.000 -0.003) 0.387 3.017 ( -0.660 0.000 -0.114) 0.670 3.099 ( -0.297 0.000 0.045) 0.301 3.336 ( -0.204 0.000 -0.053) 0.211 3.359 ( -0.334 0.000 -0.592) 0.679 3.625 ( -0.186 0.000 0.075) 0.201 3.690 ( 0.368 0.000 0.166) 0.404 5.294 ( -0.053 0.000 -0.090) 0.105 5.341 ( 0.093 0.000 0.007) 0.094 5.385 ( 0.128 0.000 0.041) 0.134 5.396 ( 0.126 0.000 0.009) 0.127 6.450 ( 0.150 0.000 -0.110) 0.186 6.463 ( -0.019 0.000 -0.939) 0.939 6.884 ( -0.093 0.000 0.229) 0.247 6.898 ( -0.014 0.000 0.110) 0.111 6.924 ( -0.148 0.000 -0.058) 0.159 6.953 ( -0.024 0.000 -0.045) 0.051 7.266 ( -0.009 0.000 -0.206) 0.207 7.469 ( 0.714 0.000 0.151) 0.729 7.798 ( -0.305 0.000 -0.088) 0.318 7.835 ( -1.097 0.000 -0.342) 1.149 7.876 ( 0.412 0.000 0.281) 0.498 7.998 ( -0.157 0.000 -0.132) 0.205 8.056 ( 0.011 0.000 0.123) 0.124 8.096 ( 0.135 0.000 0.515) 0.532 8.103 ( -0.046 0.000 0.062) 0.077 8.117 ( -0.280 0.000 -0.417) 0.502 ======================= Grid point 7 (5/87) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 58 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.215 ( 0.000 10.749 0.000) 10.749 0.266 ( 0.000 12.897 0.000) 12.897 0.404 ( 0.000 17.486 0.000) 17.486 0.510 ( 0.000 -0.388 0.000) 0.388 0.623 ( 0.000 -3.863 0.000) 3.863 0.714 ( 0.000 -1.846 0.000) 1.846 0.814 ( 0.000 -2.947 0.000) 2.947 0.884 ( 0.000 0.475 0.000) 0.475 0.911 ( 0.000 -1.980 0.000) 1.980 1.013 ( 0.000 -2.293 0.000) 2.293 1.042 ( 0.000 4.045 0.000) 4.045 1.210 ( 0.000 2.438 0.000) 2.438 1.258 ( 0.000 0.523 0.000) 0.523 1.366 ( 0.000 -11.679 0.000) 11.679 1.435 ( 0.000 3.371 0.000) 3.371 1.507 ( 0.000 -2.075 0.000) 2.075 1.542 ( 0.000 -3.693 0.000) 3.693 1.549 ( 0.000 -0.780 0.000) 0.780 1.735 ( 0.000 -0.061 0.000) 0.061 1.756 ( 0.000 -0.027 0.000) 0.027 1.868 ( 0.000 2.285 0.000) 2.285 1.914 ( 0.000 -1.162 0.000) 1.162 2.031 ( 0.000 2.351 0.000) 2.351 2.036 ( 0.000 2.340 0.000) 2.340 2.193 ( 0.000 0.530 0.000) 0.530 2.206 ( 0.000 -0.038 0.000) 0.038 2.583 ( 0.000 -0.839 0.000) 0.839 2.587 ( 0.000 -1.245 0.000) 1.245 2.660 ( 0.000 1.531 0.000) 1.531 2.666 ( 0.000 1.041 0.000) 1.041 2.702 ( 0.000 0.008 0.000) 0.008 2.739 ( 0.000 -1.492 0.000) 1.492 2.817 ( 0.000 0.305 0.000) 0.305 2.836 ( 0.000 -0.383 0.000) 0.383 3.104 ( 0.000 1.295 0.000) 1.295 3.164 ( 0.000 -1.152 0.000) 1.152 3.364 ( 0.000 0.613 0.000) 0.613 3.391 ( 0.000 -0.505 0.000) 0.505 3.639 ( 0.000 0.285 0.000) 0.285 3.649 ( 0.000 -0.141 0.000) 0.141 5.309 ( 0.000 0.119 0.000) 0.119 5.319 ( 0.000 -0.297 0.000) 0.297 5.380 ( 0.000 0.039 0.000) 0.039 5.380 ( 0.000 0.047 0.000) 0.047 6.454 ( 0.000 0.272 0.000) 0.272 6.466 ( 0.000 -0.233 0.000) 0.233 6.882 ( 0.000 -0.080 0.000) 0.080 6.888 ( 0.000 -0.328 0.000) 0.328 6.953 ( 0.000 0.284 0.000) 0.284 6.956 ( 0.000 0.159 0.000) 0.159 7.400 ( 0.000 0.195 0.000) 0.195 7.412 ( 0.000 -0.277 0.000) 0.277 7.834 ( 0.000 0.506 0.000) 0.506 7.854 ( 0.000 -0.266 0.000) 0.266 7.945 ( 0.000 0.136 0.000) 0.136 7.958 ( 0.000 -0.375 0.000) 0.375 8.023 ( 0.000 0.252 0.000) 0.252 8.040 ( 0.000 -0.530 0.000) 0.530 8.094 ( 0.000 1.021 0.000) 1.021 8.135 ( 0.000 -0.713 0.000) 0.713 ======================= Grid point 8 (6/87) ======================= q-point: ( 0.14 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.248 ( 1.676 8.238 5.577) 10.088 0.349 ( 8.253 8.251 0.886) 11.703 0.518 ( 1.806 -0.311 0.082) 1.835 0.557 ( 9.917 8.176 4.835) 13.732 0.628 ( 0.392 -1.456 0.088) 1.510 0.716 ( -0.419 -1.635 1.373) 2.176 0.817 ( 0.555 -1.749 0.203) 1.846 0.908 ( 2.207 0.421 1.487) 2.694 0.953 ( 0.544 -2.961 5.759) 6.498 0.998 ( -0.994 -0.716 1.940) 2.294 1.052 ( 0.810 1.984 -0.789) 2.284 1.183 ( -2.110 1.624 -1.165) 2.907 1.250 ( -1.127 0.139 -0.467) 1.228 1.325 ( -4.692 -3.661 2.693) 6.532 1.392 ( -2.020 -3.858 -2.094) 4.832 1.497 ( -0.803 0.734 -0.479) 1.188 1.544 ( 0.302 -3.891 0.747) 3.973 1.636 ( 4.346 -3.232 0.170) 5.418 1.706 ( -4.188 1.626 0.625) 4.536 1.755 ( 1.995 -1.418 -1.023) 2.653 1.844 ( -1.758 3.510 -1.316) 4.140 1.927 ( 1.125 -1.598 -1.465) 2.442 1.999 ( -2.192 1.988 1.600) 3.364 2.035 ( -0.271 1.250 0.271) 1.308 2.191 ( 1.198 1.752 -0.978) 2.337 2.253 ( 3.048 -0.757 0.213) 3.148 2.582 ( 0.386 -0.625 -0.298) 0.793 2.593 ( 0.465 -1.647 -1.038) 2.002 2.650 ( -0.361 2.137 -1.409) 2.585 2.657 ( -0.765 0.977 0.767) 1.458 2.702 ( 0.131 0.482 -3.406) 3.442 2.715 ( -1.234 -0.807 0.535) 1.568 2.821 ( -0.532 0.149 0.963) 1.110 2.844 ( 0.928 -0.870 0.144) 1.280 3.090 ( -1.285 1.231 -0.756) 1.933 3.128 ( -1.941 0.198 -0.416) 1.994 3.356 ( -0.510 0.478 -0.208) 0.729 3.384 ( -0.349 -0.604 -1.147) 1.343 3.641 ( 0.168 0.590 0.392) 0.729 3.661 ( 0.654 -0.017 0.150) 0.671 5.307 ( -0.163 0.223 -0.212) 0.348 5.324 ( 0.350 -0.467 0.159) 0.605 5.379 ( 0.060 0.149 0.134) 0.210 5.384 ( 0.325 -0.055 -0.007) 0.330 6.455 ( 0.664 0.053 -2.923) 2.998 6.467 ( 0.462 -0.363 -1.477) 1.590 6.881 ( -0.054 -0.098 0.272) 0.294 6.890 ( -0.057 -0.432 0.773) 0.887 6.946 ( -0.437 0.580 -0.275) 0.777 6.955 ( -0.040 0.066 -0.106) 0.132 7.337 ( -2.565 3.729 -1.404) 4.739 7.417 ( 0.347 -0.780 -0.061) 0.856 7.836 ( -0.843 1.013 -0.626) 1.459 7.844 ( 0.801 0.462 0.119) 0.932 7.923 ( -1.852 0.266 -0.252) 1.888 7.988 ( 0.266 -2.509 1.601) 2.988 8.043 ( 0.676 -0.594 0.862) 1.246 8.053 ( 1.263 -1.364 0.532) 1.934 8.094 ( -0.056 0.861 0.301) 0.913 8.136 ( 0.038 -0.716 -0.420) 0.831 ======================= Grid point 9 (7/87) ======================= q-point: ( 0.29 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.317 ( 1.718 3.744 6.852) 7.995 0.516 ( 1.397 -3.827 0.367) 4.091 0.542 ( 7.920 2.567 -1.969) 8.555 0.634 ( -0.586 1.893 4.028) 4.489 0.716 ( 0.163 -1.499 0.849) 1.730 0.744 ( 5.111 -3.408 2.782) 6.744 0.877 ( 4.892 3.449 3.127) 6.753 0.941 ( -1.737 2.193 1.607) 3.226 0.962 ( 0.894 -1.113 3.478) 3.760 1.036 ( 3.510 -0.922 0.683) 3.693 1.064 ( 1.004 -0.235 -1.225) 1.601 1.134 ( -2.155 0.901 -0.449) 2.379 1.191 ( -4.637 -2.757 -1.384) 5.569 1.265 ( -2.154 2.007 2.446) 3.827 1.347 ( -1.538 0.936 -1.478) 2.330 1.481 ( -0.996 -3.162 0.458) 3.347 1.554 ( 0.677 -0.642 -0.718) 1.178 1.621 ( -4.553 2.956 0.381) 5.441 1.652 ( -1.932 -0.147 -0.396) 1.978 1.764 ( -1.086 -4.035 -0.549) 4.215 1.860 ( 3.405 0.506 -0.482) 3.476 1.915 ( -0.555 0.590 -1.919) 2.083 1.985 ( -0.280 0.776 0.249) 0.862 2.037 ( -0.138 -0.320 1.518) 1.558 2.224 ( 2.288 1.821 -0.579) 2.981 2.302 ( 1.950 -0.913 0.436) 2.197 2.593 ( 0.307 -0.835 -1.047) 1.374 2.595 ( 0.922 -0.975 -0.399) 1.400 2.640 ( -0.170 1.341 -0.816) 1.579 2.643 ( -1.195 0.576 0.468) 1.407 2.681 ( 0.191 1.066 -3.266) 3.441 2.701 ( -1.078 -0.528 0.669) 1.375 2.811 ( -0.812 0.903 0.776) 1.441 2.863 ( 0.799 -1.356 0.148) 1.581 3.056 ( -1.623 1.277 -0.534) 2.133 3.101 ( -1.034 -0.677 -0.103) 1.240 3.345 ( -0.520 0.239 -0.251) 0.625 3.368 ( -0.644 -0.573 -1.040) 1.351 3.642 ( -0.203 1.043 0.239) 1.089 3.675 ( 0.623 -0.215 0.267) 0.711 5.303 ( -0.147 0.479 -0.171) 0.530 5.330 ( 0.225 -0.656 0.078) 0.698 5.383 ( 0.243 0.189 0.091) 0.321 5.390 ( 0.362 -0.108 -0.018) 0.378 6.451 ( 0.199 0.199 -1.184) 1.217 6.465 ( 0.255 -0.370 -1.716) 1.774 6.882 ( -0.079 -0.115 0.433) 0.455 6.893 ( -0.039 -0.439 0.422) 0.610 6.937 ( -0.369 0.614 -0.219) 0.749 6.954 ( -0.082 -0.109 -0.144) 0.199 7.307 ( -0.552 3.345 -0.602) 3.444 7.428 ( 0.805 -1.875 0.012) 2.040 7.816 ( -0.858 0.749 -0.367) 1.197 7.851 ( -0.609 -0.693 -0.478) 1.039 7.894 ( -0.606 1.841 0.475) 1.995 7.992 ( -0.147 -1.587 0.389) 1.640 8.055 ( 0.289 0.089 0.561) 0.638 8.072 ( 0.533 -1.664 0.386) 1.789 8.095 ( -0.065 0.479 0.442) 0.655 8.129 ( -0.422 -0.479 -0.675) 0.929 ======================= Grid point 10 (8/87) ======================= q-point: ( 0.43 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.368 ( 0.567 0.674 3.186) 3.305 0.502 ( -0.291 -3.542 -1.476) 3.848 0.598 ( -0.572 2.948 0.214) 3.010 0.701 ( 0.925 -1.594 1.391) 2.309 0.770 ( 6.463 -0.494 3.464) 7.349 0.827 ( 3.833 -2.632 -0.505) 4.676 0.897 ( -3.230 0.946 -1.411) 3.649 0.924 ( -0.327 -1.834 1.928) 2.681 0.992 ( -0.035 -2.318 2.441) 3.366 1.024 ( -4.508 -4.681 -1.128) 6.596 1.093 ( -0.323 -1.190 0.055) 1.235 1.107 ( -1.251 -0.690 -0.755) 1.616 1.186 ( 6.961 5.574 0.495) 8.931 1.268 ( 0.566 4.074 1.132) 4.266 1.324 ( 0.116 4.488 -1.449) 4.718 1.432 ( -4.980 0.890 0.596) 5.094 1.560 ( -0.558 -0.601 0.123) 0.829 1.569 ( 0.619 1.919 0.143) 2.021 1.612 ( -1.571 0.818 -0.982) 2.025 1.729 ( -1.644 -5.875 -0.239) 6.105 1.896 ( 0.333 1.023 -0.215) 1.097 1.922 ( 1.506 -0.860 -0.595) 1.833 1.981 ( -0.105 0.744 0.024) 0.751 2.041 ( -0.082 -1.151 0.815) 1.412 2.256 ( 1.042 1.398 -0.368) 1.782 2.329 ( 0.611 -0.839 0.295) 1.079 2.595 ( 0.418 -0.414 -0.621) 0.855 2.611 ( 0.911 -0.313 -0.574) 1.121 2.622 ( -0.957 0.346 0.435) 1.106 2.633 ( -0.485 -0.443 0.277) 0.713 2.675 ( 0.278 1.184 -1.728) 2.113 2.686 ( -0.508 0.338 0.469) 0.770 2.802 ( -0.418 1.433 0.313) 1.525 2.874 ( 0.295 -1.619 0.064) 1.647 3.032 ( -0.656 1.263 -0.160) 1.432 3.087 ( -0.415 -1.142 -0.021) 1.215 3.337 ( -0.227 0.110 -0.087) 0.267 3.354 ( -0.334 -0.485 -0.458) 0.746 3.639 ( -0.148 1.252 0.070) 1.263 3.684 ( 0.239 -0.587 0.129) 0.647 5.300 ( -0.042 0.579 -0.058) 0.584 5.333 ( 0.059 -0.764 0.017) 0.767 5.387 ( 0.133 0.211 0.026) 0.250 5.395 ( 0.150 -0.088 -0.011) 0.175 6.451 ( 0.122 0.150 -0.175) 0.261 6.461 ( 0.002 -0.230 -0.746) 0.781 6.882 ( -0.052 -0.070 0.177) 0.197 6.893 ( -0.017 -0.439 0.128) 0.458 6.931 ( -0.156 0.599 -0.085) 0.625 6.952 ( -0.055 -0.230 -0.068) 0.246 7.300 ( -0.066 3.192 -0.200) 3.199 7.442 ( 0.479 -2.650 0.048) 2.693 7.803 ( -0.376 0.484 -0.126) 0.626 7.829 ( -0.806 -0.579 -0.299) 1.036 7.898 ( 0.256 2.123 0.327) 2.163 7.990 ( -0.100 -1.118 0.025) 1.123 8.060 ( 0.069 0.367 0.145) 0.401 8.081 ( 0.253 -1.382 0.207) 1.420 8.097 ( 0.001 0.119 0.337) 0.357 8.117 ( -0.339 -0.384 -0.499) 0.715 ======================= Grid point 14 (9/87) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 58 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.411 ( 0.000 -8.779 0.000) 8.779 0.411 ( 0.000 8.779 0.000) 8.779 0.480 ( 0.000 -7.725 0.000) 7.725 0.480 ( 0.000 7.725 0.000) 7.725 0.659 ( 0.000 -3.870 0.000) 3.870 0.659 ( 0.000 3.870 0.000) 3.870 0.857 ( 0.000 -5.141 0.000) 5.141 0.857 ( 0.000 5.141 0.000) 5.141 0.921 ( 0.000 -5.103 0.000) 5.103 0.921 ( 0.000 5.103 0.000) 5.103 1.149 ( 0.000 -7.779 0.000) 7.779 1.149 ( 0.000 7.779 0.000) 7.779 1.260 ( 0.000 -1.087 0.000) 1.087 1.260 ( 0.000 1.087 0.000) 1.087 1.475 ( 0.000 -0.552 0.000) 0.552 1.475 ( 0.000 0.552 0.000) 0.552 1.518 ( 0.000 -1.948 0.000) 1.948 1.518 ( 0.000 1.948 0.000) 1.948 1.743 ( 0.000 -0.853 0.000) 0.853 1.743 ( 0.000 0.853 0.000) 0.853 1.897 ( 0.000 -0.909 0.000) 0.909 1.897 ( 0.000 0.909 0.000) 0.909 2.061 ( 0.000 -0.154 0.000) 0.154 2.061 ( 0.000 0.154 0.000) 0.154 2.203 ( 0.000 -0.355 0.000) 0.355 2.203 ( 0.000 0.355 0.000) 0.355 2.573 ( 0.000 -0.015 0.000) 0.015 2.573 ( 0.000 0.015 0.000) 0.015 2.681 ( 0.000 -0.079 0.000) 0.079 2.681 ( 0.000 0.079 0.000) 0.079 2.708 ( 0.000 -1.215 0.000) 1.215 2.708 ( 0.000 1.215 0.000) 1.215 2.826 ( 0.000 -0.573 0.000) 0.573 2.826 ( 0.000 0.573 0.000) 0.573 3.135 ( 0.000 -1.678 0.000) 1.678 3.135 ( 0.000 1.678 0.000) 1.678 3.378 ( 0.000 -0.748 0.000) 0.748 3.378 ( 0.000 0.748 0.000) 0.748 3.645 ( 0.000 -0.308 0.000) 0.308 3.645 ( 0.000 0.308 0.000) 0.308 5.313 ( 0.000 -0.278 0.000) 0.278 5.313 ( 0.000 0.278 0.000) 0.278 5.380 ( 0.000 -0.005 0.000) 0.005 5.380 ( 0.000 0.005 0.000) 0.005 6.460 ( 0.000 -0.357 0.000) 0.357 6.460 ( 0.000 0.357 0.000) 0.357 6.882 ( 0.000 -0.166 0.000) 0.166 6.882 ( 0.000 0.166 0.000) 0.166 6.957 ( 0.000 -0.092 0.000) 0.092 6.957 ( 0.000 0.092 0.000) 0.092 7.405 ( 0.000 -0.338 0.000) 0.338 7.405 ( 0.000 0.338 0.000) 0.338 7.845 ( 0.000 -0.563 0.000) 0.563 7.845 ( 0.000 0.563 0.000) 0.563 7.950 ( 0.000 -0.361 0.000) 0.361 7.950 ( 0.000 0.361 0.000) 0.361 8.030 ( 0.000 -0.460 0.000) 0.460 8.030 ( 0.000 0.460 0.000) 0.460 8.116 ( 0.000 -1.115 0.000) 1.115 8.116 ( 0.000 1.115 0.000) 1.115 ======================= Grid point 16 (10/87) ======================= q-point: ( 0.14 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.414 ( 0.336 -7.788 -0.129) 7.796 0.414 ( 0.336 7.788 -0.129) 7.796 0.530 ( 4.496 -8.080 0.636) 9.269 0.530 ( 4.496 8.080 0.636) 9.269 0.669 ( -0.062 -2.810 2.507) 3.766 0.669 ( -0.062 2.810 2.507) 3.766 0.889 ( 2.004 -4.560 3.098) 5.866 0.889 ( 2.004 4.560 3.098) 5.866 0.944 ( 2.104 -4.321 1.541) 5.047 0.944 ( 2.104 4.321 1.541) 5.047 1.148 ( -0.082 -8.272 -0.328) 8.279 1.148 ( -0.082 8.272 -0.328) 8.279 1.227 ( -2.739 -2.203 -1.654) 3.885 1.227 ( -2.739 2.203 -1.654) 3.885 1.438 ( -2.447 -4.659 1.282) 5.417 1.438 ( -2.447 4.659 1.282) 5.417 1.568 ( 2.935 -3.596 -0.117) 4.644 1.568 ( 2.935 3.596 -0.117) 4.644 1.731 ( -1.289 -1.097 -0.025) 1.693 1.731 ( -1.289 1.097 -0.025) 1.693 1.892 ( 0.057 -1.849 -1.910) 2.659 1.892 ( 0.057 1.849 -1.910) 2.659 2.036 ( -2.199 -1.226 1.790) 3.090 2.036 ( -2.199 1.226 1.790) 3.090 2.228 ( 2.370 -1.745 -0.779) 3.044 2.228 ( 2.370 1.745 -0.779) 3.044 2.576 ( 0.411 -0.181 -0.336) 0.561 2.576 ( 0.411 0.181 -0.336) 0.561 2.674 ( -0.585 -0.195 -0.642) 0.890 2.674 ( -0.585 0.195 -0.642) 0.890 2.700 ( -0.362 -0.324 -0.769) 0.910 2.700 ( -0.362 0.324 -0.769) 0.910 2.829 ( 0.174 -0.674 0.445) 0.826 2.829 ( 0.174 0.674 0.445) 0.826 3.116 ( -1.567 -1.207 -0.613) 2.071 3.116 ( -1.567 1.207 -0.613) 2.071 3.370 ( -0.595 -0.804 -0.440) 1.092 3.370 ( -0.595 0.804 -0.440) 1.092 3.654 ( 0.591 -0.643 0.309) 0.926 3.654 ( 0.591 0.643 0.309) 0.926 5.314 ( 0.099 -0.476 -0.009) 0.486 5.314 ( 0.099 0.476 -0.009) 0.486 5.382 ( 0.180 -0.121 0.071) 0.228 5.382 ( 0.180 0.121 0.071) 0.228 6.460 ( 0.253 -0.356 -1.210) 1.287 6.460 ( 0.253 0.356 -1.210) 1.287 6.883 ( -0.032 -0.291 0.322) 0.435 6.883 ( -0.032 0.291 0.322) 0.435 6.954 ( -0.213 -0.232 -0.228) 0.388 6.954 ( -0.213 0.232 -0.228) 0.388 7.390 ( -0.940 -1.935 -0.659) 2.250 7.390 ( -0.940 1.935 -0.659) 2.250 7.849 ( 0.071 -0.192 -0.599) 0.633 7.849 ( 0.071 0.192 -0.599) 0.633 7.941 ( -0.756 -1.711 1.105) 2.172 7.941 ( -0.756 1.711 1.105) 2.172 8.042 ( 0.764 -0.303 0.511) 0.967 8.042 ( 0.764 0.303 0.511) 0.967 8.116 ( -0.013 -1.183 -0.250) 1.209 8.116 ( -0.013 1.183 -0.250) 1.209 ======================= Grid point 18 (11/87) ======================= q-point: ( 0.29 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.418 ( 0.175 -5.758 -0.300) 5.769 0.418 ( 0.175 5.758 -0.300) 5.769 0.631 ( 5.011 -5.668 -0.234) 7.569 0.631 ( 5.011 5.668 -0.234) 7.569 0.680 ( 0.153 -2.038 4.634) 5.064 0.680 ( 0.153 2.038 4.634) 5.064 0.929 ( 0.067 -2.141 4.154) 4.673 0.929 ( 0.067 2.141 4.154) 4.673 0.995 ( 0.626 -3.130 -0.514) 3.233 0.995 ( 0.626 3.130 -0.514) 3.233 1.130 ( -2.535 -3.790 -0.221) 4.565 1.130 ( -2.535 3.790 -0.221) 4.565 1.197 ( 3.018 -6.162 -0.697) 6.897 1.197 ( 3.018 6.162 -0.697) 6.897 1.407 ( -1.323 -4.518 0.470) 4.731 1.407 ( -1.323 4.518 0.470) 4.731 1.601 ( 0.630 -4.002 0.075) 4.052 1.601 ( 0.630 4.002 0.075) 4.052 1.689 ( -3.364 -3.339 0.220) 4.745 1.689 ( -3.364 3.339 0.220) 4.745 1.891 ( 1.284 -2.087 -2.586) 3.563 1.891 ( 1.284 2.087 -2.586) 3.563 2.015 ( -1.208 -1.780 2.113) 3.015 2.015 ( -1.208 1.780 2.113) 3.015 2.269 ( 2.134 -2.350 -0.594) 3.230 2.269 ( 2.134 2.350 -0.594) 3.230 2.585 ( 0.686 -0.225 -0.243) 0.762 2.585 ( 0.686 0.225 -0.243) 0.762 2.653 ( -1.176 -0.188 -0.658) 1.361 2.653 ( -1.176 0.188 -0.658) 1.361 2.692 ( -0.072 -0.360 -0.913) 0.984 2.692 ( -0.072 0.360 -0.913) 0.984 2.834 ( 0.096 -1.398 0.423) 1.464 2.834 ( 0.096 1.398 0.423) 1.464 3.082 ( -1.505 -1.225 -0.445) 1.991 3.082 ( -1.505 1.225 -0.445) 1.991 3.355 ( -0.666 -0.701 -0.520) 1.098 3.355 ( -0.666 0.701 -0.520) 1.098 3.663 ( 0.218 -0.948 0.236) 1.001 3.663 ( 0.218 0.948 0.236) 1.001 5.315 ( 0.035 -0.773 -0.007) 0.774 5.315 ( 0.035 0.773 -0.007) 0.774 5.387 ( 0.317 -0.214 0.019) 0.383 5.387 ( 0.317 0.214 0.019) 0.383 6.457 ( 0.171 -0.392 -1.116) 1.195 6.457 ( 0.171 0.392 -1.116) 1.195 6.884 ( -0.033 -0.345 0.348) 0.491 6.884 ( -0.033 0.345 0.348) 0.491 6.948 ( -0.258 -0.452 -0.241) 0.574 6.948 ( -0.258 0.452 -0.241) 0.574 7.376 ( -0.219 -3.319 -0.426) 3.354 7.376 ( -0.219 3.319 -0.426) 3.354 7.834 ( -1.024 -0.981 -0.628) 1.551 7.834 ( -1.024 0.981 -0.628) 1.551 7.942 ( 0.155 -2.933 0.963) 3.090 7.942 ( 0.155 2.933 0.963) 3.090 8.057 ( 0.506 -0.209 0.499) 0.741 8.057 ( 0.506 0.209 0.499) 0.741 8.112 ( -0.249 -1.051 -0.374) 1.143 8.112 ( -0.249 1.051 -0.374) 1.143 ======================= Grid point 20 (12/87) ======================= q-point: ( 0.43 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.418 ( 0.021 -4.210 -0.182) 4.214 0.418 ( 0.021 4.210 -0.182) 4.214 0.658 ( -0.460 -2.802 1.385) 3.159 0.658 ( -0.460 2.802 1.385) 3.159 0.779 ( 6.623 -1.622 1.133) 6.912 0.779 ( 6.623 1.622 1.133) 6.912 0.913 ( -5.168 -0.552 0.385) 5.211 0.913 ( -5.168 0.552 0.385) 5.211 0.961 ( -0.496 -0.562 0.269) 0.797 0.961 ( -0.496 0.562 0.269) 0.797 1.092 ( -0.999 -0.638 -0.237) 1.209 1.092 ( -0.999 0.638 -0.237) 1.209 1.285 ( 3.599 -3.066 0.375) 4.743 1.285 ( 3.599 3.066 0.375) 4.743 1.399 ( 0.567 -3.665 -0.055) 3.709 1.399 ( 0.567 3.665 -0.055) 3.709 1.601 ( -0.890 -2.174 0.046) 2.350 1.601 ( -0.890 2.174 0.046) 2.350 1.621 ( -2.504 -3.401 0.026) 4.224 1.621 ( -2.504 3.401 0.026) 4.224 1.906 ( 0.985 -0.636 -1.184) 1.667 1.906 ( 0.985 0.636 -1.184) 1.667 2.008 ( -0.466 -1.865 1.014) 2.173 2.008 ( -0.466 1.865 1.014) 2.173 2.296 ( 0.827 -2.297 -0.233) 2.453 2.296 ( 0.827 2.297 -0.233) 2.453 2.599 ( 0.796 -0.729 -0.001) 1.080 2.599 ( 0.796 0.729 -0.001) 1.080 2.628 ( -1.060 -0.175 -0.235) 1.100 2.628 ( -1.060 0.175 -0.235) 1.100 2.688 ( 0.054 -0.231 -0.475) 0.531 2.688 ( 0.054 0.231 -0.475) 0.531 2.837 ( 0.006 -2.001 0.163) 2.008 2.837 ( 0.006 2.001 0.163) 2.008 3.060 ( -0.589 -1.487 -0.132) 1.605 3.060 ( -0.589 1.487 -0.132) 1.605 3.343 ( -0.299 -0.531 -0.233) 0.652 3.343 ( -0.299 0.531 -0.233) 0.652 3.666 ( 0.011 -1.292 0.082) 1.295 3.666 ( 0.011 1.292 0.082) 1.295 5.315 ( -0.003 -0.920 -0.001) 0.920 5.315 ( -0.003 0.920 -0.001) 0.920 5.392 ( 0.156 -0.245 -0.008) 0.291 5.392 ( 0.156 0.245 -0.008) 0.291 6.455 ( 0.058 -0.266 -0.400) 0.484 6.455 ( 0.058 0.266 -0.400) 0.484 6.885 ( -0.022 -0.358 0.137) 0.384 6.885 ( -0.022 0.358 0.137) 0.384 6.944 ( -0.122 -0.580 -0.100) 0.601 6.944 ( -0.122 0.580 -0.100) 0.601 7.374 ( 0.078 -3.972 -0.121) 3.975 7.374 ( 0.078 3.972 -0.121) 3.975 7.815 ( -0.550 -0.744 -0.214) 0.950 7.815 ( -0.550 0.744 -0.214) 0.950 7.949 ( 0.145 -2.770 0.317) 2.792 7.949 ( 0.145 2.770 0.317) 2.792 8.066 ( 0.223 -0.268 0.227) 0.416 8.066 ( 0.223 0.268 0.227) 0.416 8.105 ( -0.210 -0.679 -0.219) 0.744 8.105 ( -0.210 0.679 -0.219) 0.744 ======================= Grid point 35 (13/87) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.199 ( 4.478 0.000 9.858) 10.827 0.237 ( -0.336 0.000 10.964) 10.969 0.487 ( 0.282 0.000 22.503) 22.505 0.509 ( 3.077 0.000 1.094) 3.266 0.703 ( 1.197 0.000 -2.543) 2.811 0.828 ( -3.297 0.000 11.146) 11.624 0.831 ( 1.707 0.000 -2.100) 2.706 0.864 ( -1.061 0.000 2.222) 2.462 0.983 ( 0.158 0.000 -1.437) 1.445 1.060 ( 0.453 0.000 2.025) 2.075 1.187 ( -0.964 0.000 0.616) 1.144 1.213 ( 4.432 0.000 3.044) 5.376 1.256 ( 0.015 0.000 0.929) 0.929 1.359 ( 4.716 0.000 -2.054) 5.144 1.504 ( -3.282 0.000 -1.827) 3.757 1.532 ( -3.569 0.000 2.090) 4.136 1.538 ( 1.857 0.000 -0.553) 1.938 1.626 ( 4.842 0.000 2.247) 5.338 1.725 ( 0.045 0.000 0.824) 0.825 1.725 ( 3.375 0.000 -3.610) 4.942 1.766 ( -3.680 0.000 2.529) 4.466 1.777 ( -2.563 0.000 -2.811) 3.804 1.959 ( 1.030 0.000 -3.802) 3.939 2.020 ( 0.623 0.000 0.476) 0.784 2.159 ( -1.427 0.000 -3.094) 3.407 2.177 ( 2.017 0.000 -3.968) 4.451 2.584 ( -0.144 0.000 -2.461) 2.465 2.622 ( -0.863 0.000 2.757) 2.889 2.657 ( -0.091 0.000 -1.072) 1.076 2.672 ( -1.299 0.000 0.370) 1.351 2.702 ( -3.896 0.000 4.177) 5.712 2.753 ( -0.148 0.000 1.967) 1.972 2.831 ( 0.821 0.000 1.605) 1.803 2.860 ( 0.167 0.000 2.156) 2.162 3.083 ( -0.278 0.000 -0.706) 0.759 3.107 ( 0.479 0.000 -0.690) 0.840 3.356 ( -0.087 0.000 -0.144) 0.168 3.463 ( -3.318 0.000 -1.215) 3.534 3.607 ( 1.342 0.000 -2.603) 2.929 3.614 ( 0.999 0.000 -3.569) 3.706 5.306 ( -0.445 0.000 -0.139) 0.466 5.327 ( 0.190 0.000 0.384) 0.428 5.373 ( 0.366 0.000 -0.387) 0.533 5.379 ( -0.089 0.000 -0.058) 0.106 6.545 ( -2.107 0.000 7.302) 7.599 6.761 ( -6.215 0.000 1.576) 6.412 6.898 ( -0.312 0.000 1.561) 1.592 6.940 ( -0.129 0.000 0.022) 0.130 6.950 ( 0.021 0.000 -0.334) 0.335 7.262 ( -0.126 0.000 -1.012) 1.020 7.273 ( -25.025 0.000 -0.058) 25.025 7.405 ( 0.475 0.000 -0.960) 1.071 7.817 ( 1.074 0.000 -1.072) 1.517 7.825 ( -0.097 0.000 -0.352) 0.365 7.920 ( 11.202 0.000 -2.224) 11.421 7.927 ( -0.249 0.000 -1.506) 1.526 8.027 ( 0.857 0.000 0.820) 1.186 8.067 ( 0.448 0.000 1.537) 1.601 8.090 ( 0.295 0.000 0.875) 0.923 8.139 ( -0.234 0.000 -0.334) 0.408 ======================= Grid point 36 (14/87) ======================= q-point: ( 0.14 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.349 ( 6.030 0.000 5.015) 7.843 0.433 ( 10.547 0.000 7.044) 12.683 0.603 ( 5.481 0.000 3.113) 6.303 0.634 ( 4.004 0.000 18.938) 19.357 0.692 ( -0.564 0.000 -3.438) 3.484 0.778 ( -8.099 0.000 12.612) 14.989 0.868 ( 2.109 0.000 0.871) 2.282 0.879 ( 1.911 0.000 -0.998) 2.156 0.992 ( 2.199 0.000 -1.407) 2.610 1.051 ( -2.217 0.000 0.626) 2.304 1.168 ( -0.965 0.000 0.818) 1.266 1.193 ( -4.499 0.000 5.101) 6.802 1.230 ( -1.779 0.000 0.576) 1.870 1.356 ( -6.214 0.000 0.943) 6.285 1.441 ( -1.720 0.000 -0.716) 1.863 1.482 ( -1.151 0.000 -0.169) 1.163 1.602 ( 1.340 0.000 -4.489) 4.685 1.666 ( -3.110 0.000 3.015) 4.332 1.699 ( -4.746 0.000 0.350) 4.758 1.762 ( 3.106 0.000 0.535) 3.151 1.779 ( 4.835 0.000 0.746) 4.892 1.794 ( 5.362 0.000 -6.847) 8.697 1.952 ( 0.317 0.000 -4.076) 4.088 2.029 ( -0.539 0.000 1.448) 1.545 2.125 ( 1.246 0.000 -3.972) 4.163 2.232 ( 4.709 0.000 -3.641) 5.953 2.566 ( -0.193 0.000 -2.822) 2.829 2.629 ( -0.203 0.000 3.503) 3.509 2.630 ( -0.934 0.000 -2.748) 2.902 2.664 ( -0.793 0.000 2.151) 2.293 2.678 ( -1.460 0.000 4.869) 5.083 2.747 ( -1.281 0.000 1.231) 1.777 2.857 ( -0.046 0.000 2.026) 2.026 2.864 ( -0.118 0.000 1.937) 1.941 3.062 ( -1.313 0.000 -0.731) 1.503 3.109 ( -0.008 0.000 -0.579) 0.579 3.351 ( -0.400 0.000 0.001) 0.400 3.398 ( -2.572 0.000 0.164) 2.578 3.606 ( 0.600 0.000 -3.321) 3.375 3.633 ( 2.000 0.000 -2.431) 3.149 5.297 ( -0.292 0.000 -0.362) 0.465 5.333 ( 0.228 0.000 0.201) 0.304 5.378 ( 0.139 0.000 -0.141) 0.198 5.382 ( 0.514 0.000 -0.142) 0.533 6.541 ( -2.296 0.000 7.447) 7.793 6.609 ( -9.634 0.000 9.992) 13.880 6.902 ( -0.203 0.000 1.542) 1.555 6.934 ( -0.391 0.000 -0.153) 0.420 6.950 ( 0.073 0.000 -0.448) 0.454 6.984 ( -7.110 0.000 5.533) 9.009 7.256 ( 0.071 0.000 -1.252) 1.254 7.419 ( 1.403 0.000 -0.439) 1.470 7.815 ( -0.573 0.000 -0.542) 0.789 7.834 ( 1.309 0.000 -0.841) 1.556 7.899 ( -1.736 0.000 -1.512) 2.302 7.986 ( 1.035 0.000 -2.867) 3.048 8.052 ( 0.573 0.000 -0.266) 0.632 8.092 ( 0.934 0.000 -0.087) 0.938 8.099 ( 0.126 0.000 0.899) 0.908 8.129 ( -0.486 0.000 -0.562) 0.743 ======================= Grid point 37 (15/87) ======================= q-point: ( 0.29 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.461 ( 4.318 0.000 -3.395) 5.492 0.601 ( 2.992 0.000 9.960) 10.400 0.657 ( -0.078 0.000 -5.088) 5.088 0.663 ( -8.743 0.000 12.650) 15.378 0.738 ( 5.944 0.000 4.886) 7.694 0.838 ( 4.556 0.000 5.718) 7.311 0.903 ( 0.391 0.000 2.413) 2.444 0.916 ( 5.061 0.000 0.897) 5.140 0.996 ( -3.017 0.000 0.212) 3.024 1.045 ( 2.974 0.000 -0.308) 2.990 1.151 ( -2.559 0.000 5.238) 5.830 1.161 ( -0.439 0.000 0.464) 0.638 1.208 ( -0.223 0.000 -0.480) 0.530 1.232 ( -6.611 0.000 0.542) 6.634 1.337 ( -7.716 0.000 2.375) 8.073 1.512 ( 2.346 0.000 -0.282) 2.363 1.575 ( -2.292 0.000 -1.333) 2.651 1.592 ( -5.634 0.000 -0.708) 5.678 1.618 ( -2.488 0.000 1.426) 2.868 1.814 ( 0.101 0.000 -4.511) 4.512 1.825 ( 2.800 0.000 0.962) 2.960 1.878 ( 4.447 0.000 0.431) 4.468 1.940 ( 0.839 0.000 -3.602) 3.698 2.027 ( 0.184 0.000 -0.653) 0.678 2.148 ( 2.930 0.000 -4.515) 5.382 2.296 ( 3.597 0.000 -3.251) 4.848 2.552 ( 0.458 0.000 -2.914) 2.949 2.608 ( 0.031 0.000 -2.065) 2.066 2.646 ( -0.154 0.000 3.970) 3.973 2.660 ( -0.847 0.000 2.400) 2.545 2.686 ( -0.243 0.000 3.834) 3.842 2.721 ( -1.968 0.000 0.923) 2.174 2.841 ( -2.052 0.000 2.910) 3.561 2.888 ( 0.835 0.000 1.213) 1.472 3.033 ( -1.287 0.000 -0.414) 1.351 3.101 ( -0.407 0.000 -0.658) 0.774 3.342 ( -0.529 0.000 0.149) 0.550 3.367 ( -0.810 0.000 0.008) 0.810 3.599 ( 0.520 0.000 -3.344) 3.384 3.655 ( 1.585 0.000 -2.386) 2.865 5.292 ( -0.017 0.000 -0.228) 0.229 5.337 ( 0.144 0.000 -0.115) 0.185 5.380 ( 0.216 0.000 -0.204) 0.297 5.391 ( 0.426 0.000 -0.038) 0.427 6.536 ( -3.947 0.000 8.668) 9.524 6.541 ( -1.966 0.000 7.760) 8.005 6.904 ( -0.460 0.000 1.517) 1.585 6.925 ( -0.323 0.000 -0.330) 0.462 6.932 ( -2.044 0.000 2.785) 3.454 6.948 ( 0.084 0.000 -0.537) 0.543 7.254 ( 0.385 0.000 -1.045) 1.114 7.449 ( 1.619 0.000 0.031) 1.620 7.801 ( -0.557 0.000 -0.628) 0.840 7.853 ( 1.085 0.000 -1.230) 1.640 7.855 ( -1.873 0.000 -1.110) 2.177 7.985 ( 0.385 0.000 -2.105) 2.140 8.055 ( 0.031 0.000 -0.087) 0.092 8.099 ( 0.109 0.000 -0.149) 0.185 8.102 ( -0.219 0.000 0.213) 0.305 8.118 ( -0.264 0.000 -0.154) 0.305 ======================= Grid point 38 (16/87) ======================= q-point: ( 0.43 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.468 ( 0.582 0.000 -8.605) 8.624 0.559 ( -8.403 0.000 10.321) 13.309 0.643 ( 1.383 0.000 -5.786) 5.949 0.684 ( -0.038 0.000 12.517) 12.518 0.811 ( -1.478 0.000 -1.779) 2.313 0.857 ( -0.691 0.000 0.332) 0.767 0.936 ( 0.988 0.000 6.199) 6.277 0.973 ( 1.832 0.000 -0.608) 1.930 0.996 ( -0.889 0.000 -1.693) 1.912 1.114 ( -6.265 0.000 1.065) 6.355 1.129 ( 4.877 0.000 2.162) 5.334 1.142 ( -1.288 0.000 2.911) 3.184 1.159 ( 0.154 0.000 -0.339) 0.373 1.219 ( -5.172 0.000 4.199) 6.662 1.241 ( 4.321 0.000 0.421) 4.341 1.442 ( -8.306 0.000 1.868) 8.513 1.551 ( 1.486 0.000 0.866) 1.720 1.564 ( 0.422 0.000 -2.282) 2.320 1.595 ( -0.743 0.000 1.102) 1.329 1.786 ( -0.116 0.000 -2.937) 2.939 1.869 ( 1.168 0.000 1.373) 1.803 1.935 ( 1.391 0.000 -0.105) 1.395 1.942 ( 1.240 0.000 -3.487) 3.701 2.023 ( -0.004 0.000 -1.931) 1.931 2.175 ( 2.387 0.000 -4.899) 5.449 2.327 ( 1.325 0.000 -2.856) 3.149 2.556 ( 1.428 0.000 -2.613) 2.978 2.611 ( 1.166 0.000 -1.367) 1.797 2.658 ( -0.762 0.000 3.861) 3.935 2.660 ( -0.555 0.000 2.957) 3.009 2.690 ( -1.638 0.000 1.054) 1.948 2.707 ( 0.396 0.000 3.371) 3.395 2.818 ( -1.820 0.000 2.910) 3.432 2.903 ( 0.059 0.000 1.241) 1.242 3.015 ( -0.405 0.000 -0.078) 0.412 3.091 ( -0.186 0.000 -0.821) 0.842 3.334 ( -0.201 0.000 -0.105) 0.226 3.367 ( 0.398 0.000 1.083) 1.154 3.592 ( 0.650 0.000 -3.378) 3.440 3.665 ( 0.813 0.000 -2.673) 2.794 5.293 ( 0.133 0.000 0.024) 0.135 5.338 ( 0.121 0.000 -0.304) 0.327 5.382 ( 0.131 0.000 -0.313) 0.339 5.396 ( 0.118 0.000 -0.033) 0.122 6.520 ( -2.270 0.000 7.062) 7.418 6.558 ( -1.029 0.000 9.354) 9.410 6.901 ( -0.721 0.000 1.620) 1.773 6.918 ( -0.902 0.000 1.862) 2.069 6.920 ( 0.020 0.000 -0.345) 0.345 6.948 ( 0.188 0.000 -0.505) 0.539 7.259 ( 0.544 0.000 -0.572) 0.789 7.470 ( 0.463 0.000 -0.107) 0.476 7.792 ( -0.018 0.000 -0.538) 0.538 7.828 ( -0.351 0.000 -0.463) 0.581 7.859 ( 0.414 0.000 -1.845) 1.891 7.983 ( 0.507 0.000 -1.877) 1.944 8.055 ( -0.024 0.000 0.165) 0.167 8.093 ( -0.431 0.000 -0.632) 0.765 8.097 ( -0.098 0.000 -0.393) 0.405 8.120 ( 0.166 0.000 0.518) 0.544 ======================= Grid point 39 (17/87) ======================= q-point: (-0.43 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.426 ( 1.180 0.000 -12.379) 12.435 0.452 ( -8.725 0.000 10.925) 13.981 0.646 ( 1.348 0.000 -4.388) 4.590 0.714 ( -5.971 0.000 -2.474) 6.463 0.749 ( 0.228 0.000 12.460) 12.462 0.837 ( -2.137 0.000 0.204) 2.147 0.910 ( -6.764 0.000 -1.993) 7.052 0.925 ( -1.883 0.000 -1.187) 2.226 0.988 ( -4.378 0.000 1.489) 4.624 1.073 ( 2.688 0.000 2.886) 3.944 1.124 ( -2.454 0.000 3.012) 3.885 1.152 ( -2.725 0.000 -0.060) 2.725 1.170 ( 1.300 0.000 0.024) 1.300 1.231 ( 3.886 0.000 3.688) 5.357 1.272 ( -3.352 0.000 1.957) 3.881 1.416 ( 6.242 0.000 0.706) 6.282 1.570 ( 1.605 0.000 -2.720) 3.159 1.570 ( -0.007 0.000 0.915) 0.915 1.597 ( 0.156 0.000 1.372) 1.381 1.795 ( 2.614 0.000 -3.160) 4.101 1.882 ( -0.725 0.000 1.921) 2.053 1.927 ( -2.005 0.000 -0.361) 2.037 1.955 ( 2.098 0.000 -2.914) 3.591 2.007 ( -0.412 0.000 -2.474) 2.508 2.180 ( 0.627 0.000 -4.628) 4.670 2.316 ( -0.749 0.000 -2.904) 2.999 2.573 ( 1.602 0.000 -2.460) 2.935 2.631 ( 1.130 0.000 -0.094) 1.134 2.658 ( -1.345 0.000 3.495) 3.745 2.670 ( 0.056 0.000 2.157) 2.158 2.680 ( 0.059 0.000 1.981) 1.982 2.731 ( 0.142 0.000 3.457) 3.460 2.806 ( -1.038 0.000 2.932) 3.110 2.902 ( -0.757 0.000 1.137) 1.366 3.019 ( 0.813 0.000 0.099) 0.819 3.088 ( 0.464 0.000 -0.997) 1.100 3.336 ( 0.390 0.000 -0.068) 0.396 3.390 ( 1.109 0.000 2.270) 2.527 3.589 ( 0.953 0.000 -3.530) 3.656 3.658 ( 0.116 0.000 -3.018) 3.020 5.297 ( 0.194 0.000 0.226) 0.298 5.338 ( 0.011 0.000 -0.266) 0.266 5.381 ( -0.093 0.000 -0.399) 0.410 5.395 ( -0.157 0.000 -0.115) 0.195 6.520 ( -1.623 0.000 6.912) 7.100 6.604 ( 0.243 0.000 11.942) 11.944 6.897 ( -0.606 0.000 1.904) 1.998 6.915 ( -0.491 0.000 1.898) 1.961 6.923 ( 0.372 0.000 -0.196) 0.421 6.950 ( 0.249 0.000 -0.356) 0.435 7.266 ( 0.427 0.000 -0.239) 0.489 7.462 ( -0.985 0.000 -0.768) 1.249 7.795 ( 0.625 0.000 -0.315) 0.700 7.840 ( 1.652 0.000 0.104) 1.655 7.850 ( -0.158 0.000 -2.099) 2.105 7.982 ( 0.532 0.000 -2.261) 2.323 8.056 ( -0.092 0.000 0.495) 0.504 8.084 ( -0.244 0.000 -0.582) 0.631 8.090 ( -0.293 0.000 -0.996) 1.038 8.127 ( 0.321 0.000 0.466) 0.565 ======================= Grid point 40 (18/87) ======================= q-point: (-0.29 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.359 ( -7.256 0.000 12.717) 14.641 0.378 ( -0.294 0.000 -11.912) 11.915 0.559 ( -7.132 0.000 2.296) 7.493 0.668 ( -13.976 0.000 0.237) 13.978 0.672 ( 1.284 0.000 -3.847) 4.056 0.824 ( -2.799 0.000 12.606) 12.913 0.836 ( 1.508 0.000 1.375) 2.041 0.873 ( -1.537 0.000 -4.779) 5.020 0.962 ( 0.892 0.000 2.883) 3.018 1.047 ( -6.477 0.000 1.487) 6.646 1.097 ( -2.919 0.000 3.277) 4.388 1.135 ( 2.625 0.000 1.191) 2.882 1.210 ( 2.922 0.000 -0.318) 2.939 1.251 ( -0.050 0.000 0.680) 0.682 1.353 ( 6.426 0.000 2.206) 6.794 1.540 ( 6.214 0.000 -1.935) 6.509 1.563 ( -0.885 0.000 0.913) 1.271 1.601 ( 3.267 0.000 -3.511) 4.796 1.606 ( -0.195 0.000 1.342) 1.356 1.833 ( 3.305 0.000 -5.800) 6.676 1.856 ( -3.877 0.000 0.315) 3.890 1.870 ( -3.108 0.000 2.272) 3.850 1.984 ( -0.522 0.000 -2.668) 2.719 1.990 ( 2.506 0.000 -1.285) 2.816 2.154 ( -0.674 0.000 -3.805) 3.864 2.275 ( -1.747 0.000 -3.013) 3.483 2.588 ( 1.343 0.000 -2.415) 2.764 2.645 ( 0.001 0.000 1.580) 1.580 2.646 ( -1.719 0.000 3.187) 3.621 2.687 ( 1.221 0.000 -0.974) 1.562 2.704 ( 0.576 0.000 3.620) 3.665 2.748 ( -0.383 0.000 3.939) 3.958 2.808 ( -0.340 0.000 2.344) 2.369 2.887 ( -1.417 0.000 0.583) 1.533 3.043 ( 1.604 0.000 0.049) 1.605 3.096 ( 0.814 0.000 -1.083) 1.354 3.346 ( 0.574 0.000 -0.029) 0.574 3.430 ( 1.551 0.000 3.194) 3.551 3.590 ( 1.197 0.000 -3.671) 3.861 3.640 ( -0.167 0.000 -3.221) 3.225 5.303 ( 0.284 0.000 0.375) 0.471 5.334 ( -0.288 0.000 -0.150) 0.324 5.376 ( -0.165 0.000 -0.439) 0.469 5.390 ( -0.319 0.000 -0.192) 0.372 6.530 ( -1.294 0.000 7.143) 7.260 6.703 ( 2.998 0.000 14.385) 14.694 6.898 ( -0.440 0.000 2.021) 2.068 6.931 ( 0.465 0.000 -0.034) 0.467 6.933 ( 1.276 0.000 7.076) 7.190 6.952 ( 0.127 0.000 -0.225) 0.259 7.271 ( 0.168 0.000 -0.243) 0.295 7.434 ( -1.206 0.000 -1.205) 1.705 7.809 ( 0.848 0.000 -0.147) 0.861 7.834 ( -0.396 0.000 -1.904) 1.944 7.882 ( 2.442 0.000 -0.045) 2.443 7.974 ( 0.051 0.000 -3.777) 3.777 8.056 ( -0.240 0.000 0.570) 0.618 8.073 ( -0.870 0.000 -1.780) 1.982 8.079 ( -0.017 0.000 -0.197) 0.198 8.135 ( 0.325 0.000 0.266) 0.421 ======================= Grid point 41 (19/87) ======================= q-point: (-0.14 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.279 ( -5.945 0.000 0.657) 5.981 0.287 ( -9.132 0.000 5.609) 10.717 0.435 ( -9.564 0.000 15.575) 18.277 0.486 ( -1.405 0.000 0.959) 1.701 0.683 ( 1.853 0.000 -2.651) 3.234 0.814 ( -2.542 0.000 11.675) 11.948 0.833 ( 0.024 0.000 -4.527) 4.527 0.884 ( -1.112 0.000 1.322) 1.727 0.971 ( -0.541 0.000 3.490) 3.532 1.019 ( 2.490 0.000 2.597) 3.598 1.078 ( -1.008 0.000 8.661) 8.719 1.181 ( 1.439 0.000 0.591) 1.556 1.257 ( 0.132 0.000 0.014) 0.132 1.275 ( 4.580 0.000 -1.746) 4.901 1.477 ( 5.288 0.000 1.054) 5.392 1.558 ( 0.434 0.000 0.806) 0.915 1.589 ( 0.649 0.000 -7.165) 7.194 1.594 ( -2.040 0.000 0.823) 2.200 1.664 ( 4.465 0.000 -1.306) 4.652 1.767 ( -4.563 0.000 0.480) 4.588 1.825 ( -3.719 0.000 3.285) 4.962 1.836 ( 0.186 0.000 -7.440) 7.442 1.963 ( -0.141 0.000 -2.118) 2.123 2.015 ( 0.325 0.000 -0.568) 0.654 2.143 ( 2.011 0.000 -3.688) 4.201 2.224 ( -2.061 0.000 -2.832) 3.503 2.594 ( 0.497 0.000 -2.353) 2.405 2.630 ( -1.459 0.000 2.739) 3.103 2.653 ( 0.078 0.000 1.376) 1.378 2.692 ( -0.112 0.000 -1.395) 1.400 2.734 ( 0.645 0.000 2.945) 3.014 2.750 ( -1.907 0.000 3.261) 3.778 2.816 ( 0.162 0.000 1.414) 1.423 2.858 ( -1.432 0.000 0.597) 1.552 3.073 ( 1.386 0.000 -0.189) 1.398 3.103 ( 0.497 0.000 -1.056) 1.167 3.355 ( 0.333 0.000 -0.080) 0.342 3.477 ( 1.605 0.000 1.552) 2.232 3.595 ( 1.338 0.000 -3.398) 3.652 3.623 ( 0.192 0.000 -3.329) 3.335 5.310 ( 0.108 0.000 0.300) 0.319 5.327 ( -0.372 0.000 0.054) 0.376 5.372 ( 0.033 0.000 -0.459) 0.460 5.383 ( -0.272 0.000 -0.145) 0.308 6.542 ( -1.553 0.000 7.297) 7.460 6.798 ( 0.711 0.000 2.182) 2.295 6.898 ( -0.494 0.000 1.536) 1.613 6.938 ( 0.262 0.000 0.036) 0.264 6.952 ( -0.019 0.000 -0.211) 0.212 7.178 ( 18.338 0.000 24.692) 30.757 7.269 ( -0.103 0.000 -0.574) 0.583 7.411 ( -0.477 0.000 -1.225) 1.314 7.819 ( -0.149 0.000 -1.526) 1.534 7.822 ( 0.518 0.000 -0.175) 0.547 7.912 ( -4.962 0.000 -8.747) 10.056 7.920 ( 1.602 0.000 -0.845) 1.812 8.035 ( -1.344 0.000 -1.008) 1.680 8.060 ( -0.222 0.000 1.189) 1.210 8.081 ( 0.222 0.000 0.417) 0.473 8.141 ( 0.113 0.000 -0.017) 0.114 ======================= Grid point 42 (20/87) ======================= q-point: ( 0.00 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.303 ( -1.128 10.039 3.953) 10.848 0.376 ( 1.154 7.736 7.424) 10.784 0.526 ( 2.823 2.124 3.250) 4.800 0.572 ( 0.161 6.643 13.110) 14.698 0.659 ( -0.253 -5.531 -0.571) 5.566 0.722 ( 1.548 -3.422 2.002) 4.256 0.839 ( -0.522 -1.005 3.401) 3.585 0.915 ( -1.302 2.554 6.051) 6.696 1.026 ( -0.438 4.000 -0.912) 4.126 1.041 ( 1.042 -1.771 2.277) 3.067 1.089 ( 1.002 -7.071 10.250) 12.493 1.217 ( -1.821 2.206 0.778) 2.964 1.238 ( 0.691 -1.389 -1.561) 2.200 1.347 ( 1.928 -4.671 -0.575) 5.086 1.458 ( 0.494 -1.040 0.705) 1.350 1.490 ( -3.873 -1.417 -0.177) 4.128 1.544 ( 0.452 -1.019 -0.313) 1.158 1.573 ( 2.786 -3.710 1.625) 4.915 1.734 ( 0.913 0.207 -1.034) 1.395 1.747 ( -1.198 0.078 0.003) 1.201 1.806 ( -0.946 3.315 -4.286) 5.500 1.845 ( 0.375 3.306 -2.124) 3.947 1.979 ( 2.286 2.275 -3.999) 5.138 2.036 ( 1.459 1.052 -0.615) 1.900 2.157 ( -1.504 -0.135 -3.125) 3.471 2.169 ( 1.698 -0.708 -4.188) 4.574 2.586 ( -0.395 0.196 -1.410) 1.477 2.612 ( -1.172 -0.934 1.665) 2.240 2.658 ( 0.091 0.236 -0.269) 0.370 2.681 ( -0.830 -0.326 1.428) 1.684 2.701 ( -1.491 1.428 2.376) 3.147 2.758 ( -1.483 -0.415 1.530) 2.171 2.836 ( 0.389 0.391 1.812) 1.894 2.855 ( -0.116 -0.476 2.094) 2.151 3.096 ( -0.396 1.117 -0.856) 1.462 3.123 ( 0.379 0.680 -1.879) 2.034 3.365 ( -0.283 0.930 0.123) 0.980 3.432 ( -2.210 -2.275 0.754) 3.260 3.609 ( 1.280 0.211 -2.805) 3.090 3.615 ( 1.211 -0.005 -3.435) 3.643 5.308 ( -0.337 0.220 -0.048) 0.406 5.323 ( 0.111 -0.383 0.315) 0.508 5.376 ( 0.309 0.172 -0.373) 0.514 5.379 ( -0.006 0.005 -0.101) 0.101 6.553 ( -2.608 0.862 8.016) 8.473 6.682 ( -7.418 -6.561 9.342) 13.615 6.899 ( -0.387 0.159 1.780) 1.829 6.934 ( -0.247 -0.878 1.048) 1.389 6.953 ( -0.138 0.271 -0.176) 0.351 7.008 ( -4.546 -6.931 7.510) 11.185 7.363 ( -2.941 1.557 -2.905) 4.417 7.403 ( 0.319 -0.505 -1.139) 1.286 7.819 ( 0.942 0.328 -1.253) 1.601 7.831 ( -0.303 0.021 -1.542) 1.572 7.928 ( 1.187 0.304 -1.634) 2.043 7.936 ( 3.363 0.381 -2.160) 4.015 8.030 ( 0.534 0.359 0.896) 1.103 8.054 ( 0.147 -0.792 1.415) 1.628 8.101 ( 0.054 0.784 0.587) 0.981 8.133 ( -0.302 -0.591 -0.227) 0.701 ======================= Grid point 43 (21/87) ======================= q-point: ( 0.14 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.380 ( 4.934 4.671 3.586) 7.683 0.477 ( 4.611 2.952 7.860) 9.579 0.594 ( 1.540 -1.601 5.713) 6.129 0.648 ( 0.458 -3.678 -2.290) 4.357 0.692 ( 3.730 3.535 9.913) 11.165 0.770 ( 1.196 -2.379 5.050) 5.709 0.843 ( -0.826 3.375 5.215) 6.267 0.944 ( 2.198 2.447 3.033) 4.474 1.006 ( -0.606 3.087 -0.593) 3.202 1.045 ( -1.502 -0.782 0.348) 1.729 1.119 ( -2.293 -5.330 7.503) 9.485 1.178 ( -2.437 0.589 1.221) 2.789 1.229 ( -1.123 -0.748 -1.101) 1.741 1.350 ( -1.214 -7.234 -1.346) 7.457 1.394 ( -5.459 0.566 3.470) 6.493 1.478 ( 1.545 3.251 -1.310) 3.830 1.565 ( -0.615 -4.492 0.414) 4.553 1.626 ( 0.320 -2.215 -0.086) 2.239 1.719 ( -1.864 1.029 0.771) 2.265 1.742 ( 2.902 -1.117 -1.064) 3.287 1.792 ( -0.304 1.889 -2.365) 3.042 1.840 ( 1.752 0.781 -4.468) 4.862 1.985 ( 0.322 3.175 -3.008) 4.386 2.045 ( -0.489 1.023 0.850) 1.417 2.136 ( 2.147 1.272 -4.103) 4.802 2.214 ( 4.372 -1.696 -3.957) 6.136 2.570 ( -0.209 0.369 -2.158) 2.200 2.602 ( -0.433 -1.272 0.141) 1.351 2.654 ( -0.406 1.020 0.759) 1.335 2.677 ( -1.200 -0.156 3.674) 3.868 2.685 ( -0.940 1.716 1.642) 2.554 2.740 ( -1.399 -0.776 1.457) 2.164 2.853 ( -0.273 -0.217 2.203) 2.230 2.859 ( -0.041 -0.431 1.830) 1.880 3.074 ( -1.269 1.121 -0.821) 1.881 3.111 ( -0.659 -0.130 -1.005) 1.209 3.356 ( -0.653 0.545 0.059) 0.853 3.389 ( -2.061 -0.786 0.205) 2.215 3.613 ( 0.947 0.635 -3.217) 3.413 3.632 ( 1.901 -0.120 -2.781) 3.371 5.302 ( -0.203 0.461 -0.244) 0.560 5.327 ( 0.167 -0.563 0.145) 0.605 5.379 ( 0.161 0.145 -0.152) 0.265 5.382 ( 0.423 0.001 -0.135) 0.444 6.543 ( -2.660 0.254 7.839) 8.282 6.583 ( -7.025 -1.908 10.177) 12.513 6.901 ( -0.347 0.080 1.774) 1.810 6.930 ( -0.771 -0.738 1.199) 1.605 6.949 ( -0.265 -0.068 -0.075) 0.284 6.958 ( -2.577 -1.026 2.502) 3.736 7.305 ( -1.174 3.554 -1.916) 4.204 7.407 ( 0.822 -1.321 -0.851) 1.774 7.820 ( -0.398 0.454 -0.863) 1.053 7.834 ( 1.029 -0.057 -1.023) 1.453 7.907 ( -1.227 0.928 -1.379) 2.066 7.972 ( 1.200 -1.517 -2.667) 3.295 8.052 ( 0.720 0.044 0.142) 0.735 8.069 ( 0.535 -1.143 1.346) 1.845 8.104 ( -0.071 0.283 0.551) 0.624 8.125 ( -0.328 -0.490 -0.552) 0.807 ======================= Grid point 44 (22/87) ======================= q-point: ( 0.29 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.465 ( 2.447 1.226 -0.234) 2.747 0.604 ( 1.626 0.112 8.026) 8.190 0.609 ( -0.289 -3.419 4.954) 6.026 0.666 ( -0.160 -0.973 0.472) 1.093 0.737 ( 0.459 0.856 6.111) 6.187 0.816 ( 0.719 -3.520 2.626) 4.450 0.902 ( 1.545 3.490 1.626) 4.149 0.988 ( -1.785 -0.411 0.810) 2.003 1.012 ( 1.674 1.895 1.842) 3.128 1.036 ( 3.862 3.497 1.657) 5.467 1.097 ( -3.044 -3.981 3.387) 6.049 1.148 ( -1.532 -0.348 2.255) 2.748 1.180 ( -3.186 -1.041 0.165) 3.356 1.317 ( -1.137 2.651 -0.783) 2.989 1.323 ( -3.987 -0.797 3.159) 5.149 1.501 ( 0.034 -0.795 1.057) 1.323 1.540 ( -0.357 -2.084 -0.616) 2.203 1.597 ( -1.385 1.278 -2.201) 2.897 1.657 ( -4.826 2.536 1.208) 5.584 1.763 ( -1.754 -2.689 -0.366) 3.232 1.827 ( 4.560 -1.916 -2.682) 5.626 1.852 ( 1.994 -1.697 -3.261) 4.182 1.978 ( 0.336 3.153 -1.029) 3.333 2.046 ( 0.114 0.863 -0.081) 0.874 2.167 ( 2.913 2.002 -4.227) 5.510 2.273 ( 3.647 -2.131 -3.576) 5.534 2.560 ( 0.537 0.749 -2.423) 2.592 2.598 ( 0.403 -0.864 -1.469) 1.751 2.654 ( -0.975 0.565 3.179) 3.372 2.668 ( -1.033 0.361 2.449) 2.683 2.689 ( -0.240 0.640 2.910) 2.989 2.720 ( -1.249 -0.211 1.424) 1.906 2.843 ( -1.579 0.331 2.563) 3.029 2.876 ( 0.431 -1.021 1.393) 1.780 3.046 ( -1.227 1.160 -0.463) 1.751 3.093 ( -0.718 -0.822 -0.650) 1.271 3.344 ( -0.617 0.206 0.119) 0.661 3.362 ( -0.819 -0.470 -0.050) 0.946 3.611 ( 0.676 1.133 -3.260) 3.517 3.651 ( 1.439 -0.490 -2.628) 3.036 5.299 ( -0.007 0.593 -0.198) 0.625 5.329 ( 0.108 -0.665 -0.116) 0.684 5.382 ( 0.230 0.203 -0.173) 0.352 5.390 ( 0.399 -0.122 -0.056) 0.421 6.535 ( -3.441 -0.031 8.492) 9.163 6.540 ( -2.139 -0.168 7.841) 8.129 6.902 ( -0.551 -0.041 1.660) 1.749 6.920 ( -1.031 -0.647 1.847) 2.212 6.934 ( -0.731 0.372 0.282) 0.868 6.947 ( 0.016 -0.139 -0.515) 0.533 7.290 ( 0.163 3.285 -1.115) 3.473 7.424 ( 1.203 -2.367 -0.298) 2.672 7.806 ( -0.570 0.534 -0.704) 1.051 7.836 ( -0.470 -0.810 -1.012) 1.378 7.885 ( -0.086 2.066 -1.379) 2.486 7.973 ( 0.484 -1.346 -2.273) 2.686 8.059 ( 0.132 0.357 0.078) 0.388 8.081 ( 0.163 -1.091 0.609) 1.260 8.103 ( -0.266 -0.007 0.165) 0.313 8.116 ( -0.238 -0.363 -0.321) 0.539 ======================= Grid point 45 (23/87) ======================= q-point: ( 0.43 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.470 ( -0.148 1.138 -3.287) 3.482 0.574 ( -4.511 -0.051 4.776) 6.569 0.626 ( -1.999 -0.351 -0.580) 2.111 0.684 ( 0.264 -0.405 9.692) 9.704 0.799 ( -0.047 -1.409 -0.822) 1.632 0.852 ( 2.189 -1.618 0.652) 2.800 0.882 ( -0.636 -1.825 1.249) 2.301 0.965 ( -1.210 0.750 1.676) 2.199 1.005 ( -5.416 -3.591 0.749) 6.541 1.025 ( -1.092 -3.195 2.396) 4.140 1.120 ( -1.166 -0.012 2.091) 2.394 1.141 ( -0.979 -1.355 2.313) 2.854 1.190 ( 4.238 4.307 0.637) 6.076 1.278 ( -2.162 3.163 0.321) 3.845 1.317 ( 2.381 4.789 1.250) 5.493 1.454 ( -5.159 -0.028 1.140) 5.284 1.567 ( -0.828 1.303 -0.768) 1.724 1.568 ( 1.877 1.253 0.318) 2.279 1.593 ( -1.174 0.199 0.128) 1.198 1.723 ( -1.299 -4.927 -0.728) 5.147 1.856 ( 1.427 -1.101 -3.581) 4.009 1.895 ( 2.565 -2.543 -2.227) 4.243 1.983 ( 0.267 2.401 0.281) 2.432 2.039 ( -0.782 0.478 -0.658) 1.128 2.195 ( 2.333 2.192 -4.362) 5.411 2.307 ( 1.676 -2.015 -3.198) 4.135 2.567 ( 1.410 0.969 -2.367) 2.921 2.605 ( 1.290 -0.577 -1.526) 2.080 2.645 ( -1.420 -0.292 3.196) 3.510 2.661 ( -1.348 -0.745 2.303) 2.770 2.698 ( -0.271 1.291 2.819) 3.112 2.723 ( 0.183 0.641 3.041) 3.114 2.827 ( -1.469 0.908 2.432) 2.983 2.886 ( -0.161 -1.507 1.329) 2.015 3.028 ( -0.350 1.208 -0.133) 1.265 3.080 ( -0.237 -1.035 -0.649) 1.244 3.336 ( -0.166 0.216 0.008) 0.273 3.359 ( 0.264 -0.693 0.771) 1.069 3.607 ( 0.677 1.358 -3.237) 3.575 3.658 ( 0.802 -0.736 -2.788) 2.993 5.299 ( 0.098 0.558 -0.026) 0.567 5.330 ( 0.082 -0.712 -0.254) 0.761 5.385 ( 0.144 0.260 -0.257) 0.393 5.395 ( 0.161 -0.127 -0.063) 0.215 6.525 ( -2.128 0.485 7.363) 7.680 6.552 ( -1.264 -0.600 8.977) 9.085 6.899 ( -0.675 -0.059 1.536) 1.679 6.912 ( -0.812 -0.507 1.745) 1.991 6.928 ( 0.024 0.601 -0.192) 0.632 6.947 ( 0.180 -0.191 -0.397) 0.476 7.293 ( 0.480 3.218 -0.579) 3.305 7.441 ( 0.456 -2.858 -0.227) 2.903 7.796 ( -0.025 0.476 -0.519) 0.704 7.822 ( -0.140 -0.546 -0.472) 0.735 7.880 ( 0.240 2.011 -1.991) 2.840 7.970 ( 0.456 -1.387 -2.205) 2.644 8.060 ( -0.055 0.442 0.136) 0.465 8.082 ( -0.193 -0.988 -0.035) 1.007 8.096 ( -0.351 0.189 -0.343) 0.526 8.117 ( 0.267 -0.411 0.425) 0.648 ======================= Grid point 46 (24/87) ======================= q-point: (-0.43 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.449 ( 1.261 2.568 -8.491) 8.960 0.493 ( -7.080 3.675 8.900) 11.952 0.608 ( 1.516 -3.214 -4.959) 6.101 0.708 ( -5.106 -2.683 5.032) 7.655 0.748 ( -2.792 0.953 6.805) 7.417 0.827 ( -1.108 0.420 -1.611) 2.000 0.873 ( -6.478 -3.129 -0.721) 7.231 0.927 ( -0.396 -3.797 -0.726) 3.886 0.960 ( -0.664 2.130 3.109) 3.827 1.066 ( 2.383 -2.001 2.837) 4.211 1.113 ( -0.757 -1.050 1.003) 1.638 1.149 ( 1.487 -2.478 2.600) 3.887 1.189 ( -4.512 3.965 1.991) 6.328 1.240 ( -1.081 3.921 -1.314) 4.274 1.348 ( -1.382 3.646 0.838) 3.989 1.443 ( 4.500 1.015 1.485) 4.846 1.557 ( 0.057 1.375 -1.369) 1.941 1.568 ( -0.059 -0.989 0.763) 1.250 1.615 ( 1.397 1.026 -0.332) 1.765 1.733 ( 2.527 -5.564 -0.170) 6.113 1.854 ( 0.499 -0.953 -4.160) 4.297 1.915 ( 0.732 -0.896 -1.726) 2.078 1.986 ( -0.223 1.160 0.387) 1.243 2.010 ( -1.426 -0.111 -1.721) 2.238 2.204 ( 0.889 2.477 -4.024) 4.808 2.303 ( -0.280 -1.410 -3.068) 3.388 2.584 ( 1.575 1.052 -2.270) 2.956 2.627 ( 1.401 -0.518 -0.702) 1.651 2.638 ( -1.246 -0.878 3.220) 3.563 2.651 ( -0.381 -1.352 1.754) 2.247 2.709 ( -0.465 1.883 3.289) 3.818 2.745 ( 0.174 0.636 3.692) 3.750 2.817 ( -0.818 1.119 2.348) 2.727 2.884 ( -0.801 -1.658 1.196) 2.195 3.033 ( 0.921 1.229 0.008) 1.536 3.079 ( 0.615 -0.854 -0.765) 1.301 3.340 ( 0.444 0.416 0.183) 0.635 3.378 ( 0.924 -1.136 1.695) 2.240 3.604 ( 0.876 1.371 -3.340) 3.715 3.652 ( 0.305 -0.623 -3.069) 3.146 5.302 ( 0.154 0.463 0.141) 0.508 5.330 ( 0.017 -0.708 -0.204) 0.737 5.384 ( -0.101 0.303 -0.332) 0.460 5.395 ( -0.133 -0.091 -0.129) 0.207 6.529 ( -1.575 0.907 7.466) 7.684 6.587 ( -0.410 -1.534 10.934) 11.048 6.895 ( -0.545 -0.050 1.660) 1.748 6.908 ( -0.567 -0.523 1.584) 1.762 6.932 ( 0.427 0.694 0.220) 0.845 6.950 ( 0.292 -0.095 -0.163) 0.348 7.300 ( 0.500 3.133 -0.296) 3.187 7.436 ( -0.567 -2.491 -0.654) 2.637 7.801 ( 0.760 0.600 -0.245) 0.999 7.833 ( 1.319 -0.658 0.038) 1.475 7.870 ( -0.047 1.857 -2.339) 2.987 7.965 ( 0.302 -1.804 -2.692) 3.255 8.057 ( -0.306 0.126 0.122) 0.353 8.074 ( -0.508 -1.026 -0.432) 1.224 8.091 ( -0.002 0.780 -0.065) 0.783 8.127 ( 0.453 -0.363 0.374) 0.690 ======================= Grid point 47 (25/87) ======================= q-point: (-0.29 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.414 ( -2.955 5.012 1.755) 6.077 0.430 ( -2.483 5.243 0.466) 5.820 0.586 ( -5.006 2.583 1.451) 5.817 0.636 ( 0.239 -3.326 -3.252) 4.658 0.715 ( -8.001 0.234 -1.273) 8.105 0.728 ( -3.126 -5.398 4.986) 7.985 0.843 ( -0.186 1.352 4.905) 5.091 0.909 ( -1.193 -0.433 1.706) 2.126 0.958 ( -0.189 2.091 1.890) 2.825 1.034 ( -5.490 -0.913 1.284) 5.712 1.101 ( -1.700 0.802 2.307) 2.976 1.166 ( 1.641 1.968 2.720) 3.737 1.204 ( 1.391 -1.429 -0.520) 2.061 1.250 ( 3.091 0.274 1.156) 3.311 1.363 ( 2.472 1.340 0.322) 2.830 1.490 ( -0.054 -4.789 1.075) 4.909 1.561 ( -0.058 -0.323 -0.566) 0.654 1.610 ( 4.430 3.287 -0.427) 5.533 1.630 ( 1.005 -0.350 -1.933) 2.207 1.786 ( 1.966 -4.292 0.892) 4.805 1.827 ( -1.120 0.704 -3.773) 3.998 1.907 ( -0.562 1.234 -1.715) 2.187 1.978 ( -0.640 -0.545 -2.452) 2.592 1.985 ( 0.915 -1.023 -1.559) 2.077 2.187 ( -0.500 2.852 -3.298) 4.389 2.269 ( -1.410 -0.732 -3.030) 3.422 2.598 ( 1.016 0.929 -1.906) 2.351 2.629 ( -1.243 -0.627 3.250) 3.536 2.644 ( 0.317 -0.925 0.893) 1.324 2.668 ( 1.355 -1.450 -0.257) 2.001 2.712 ( -1.056 1.746 3.728) 4.250 2.766 ( -0.008 0.417 3.461) 3.486 2.819 ( -0.356 0.987 2.184) 2.422 2.869 ( -1.288 -1.408 0.943) 2.129 3.061 ( 1.900 1.338 -0.131) 2.327 3.093 ( 1.224 -0.304 -0.929) 1.567 3.352 ( 0.626 0.688 0.353) 0.995 3.408 ( 1.128 -1.793 2.426) 3.221 3.604 ( 0.928 1.134 -3.481) 3.777 3.639 ( 0.086 -0.284 -3.334) 3.347 5.306 ( 0.210 0.316 0.280) 0.472 5.328 ( -0.196 -0.579 -0.082) 0.617 5.379 ( -0.209 0.285 -0.375) 0.515 5.390 ( -0.331 -0.092 -0.188) 0.391 6.542 ( -1.413 1.262 7.935) 8.158 6.653 ( 0.502 -4.032 13.395) 13.998 6.896 ( -0.377 -0.107 1.929) 1.968 6.910 ( -0.133 -0.912 2.506) 2.671 6.947 ( 0.735 0.548 1.737) 1.964 6.954 ( 0.212 0.112 0.142) 0.278 7.312 ( 1.136 3.325 -0.115) 3.515 7.419 ( -0.626 -1.517 -1.026) 1.935 7.820 ( 1.152 1.031 -0.072) 1.548 7.843 ( -0.357 0.714 -1.528) 1.724 7.878 ( 2.240 -0.104 -0.701) 2.350 7.949 ( -0.365 -2.415 -4.061) 4.739 8.050 ( -0.551 -0.286 0.073) 0.625 8.059 ( -0.738 -0.741 -0.477) 1.150 8.093 ( 0.110 1.191 0.248) 1.221 8.136 ( 0.311 -0.370 0.095) 0.493 ======================= Grid point 48 (26/87) ======================= q-point: (-0.14 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.373 ( -3.889 7.037 5.013) 9.475 0.374 ( -4.902 7.900 4.296) 10.242 0.497 ( -3.357 4.527 0.658) 5.674 0.567 ( -4.421 6.273 5.658) 9.535 0.660 ( 0.588 -4.526 -1.040) 4.681 0.705 ( -0.677 -4.173 1.080) 4.364 0.851 ( -1.949 -2.174 3.160) 4.302 0.906 ( -1.060 1.688 5.396) 5.752 0.974 ( 0.447 -0.549 6.923) 6.959 1.002 ( 1.650 -0.340 1.757) 2.434 1.074 ( -2.147 0.919 2.647) 3.530 1.215 ( 1.361 1.658 1.902) 2.866 1.226 ( 1.573 -0.472 -1.863) 2.483 1.305 ( 2.261 -0.264 0.241) 2.289 1.425 ( 2.649 -3.497 1.047) 4.511 1.501 ( 1.665 -4.162 -0.006) 4.483 1.544 ( -1.454 -1.215 0.149) 1.901 1.607 ( -2.490 -1.876 -2.229) 3.833 1.691 ( 3.543 2.126 -0.871) 4.223 1.779 ( -1.788 -0.250 0.039) 1.806 1.820 ( 1.293 2.331 -0.955) 2.832 1.873 ( -1.460 1.579 -4.471) 4.961 1.963 ( 0.673 -0.007 -2.531) 2.619 2.008 ( 2.254 -0.995 -2.271) 3.351 2.164 ( 0.196 1.868 -3.455) 3.932 2.220 ( -2.166 -0.453 -2.891) 3.640 2.598 ( -0.167 0.367 -1.061) 1.135 2.624 ( -1.053 -0.541 2.398) 2.674 2.653 ( 0.309 -0.440 0.371) 0.653 2.685 ( 0.443 -1.215 -0.490) 1.383 2.710 ( -1.225 1.370 3.626) 4.065 2.775 ( -0.839 -0.264 2.098) 2.275 2.824 ( -0.155 0.746 1.918) 2.064 2.851 ( -0.836 -0.518 1.272) 1.608 3.093 ( 1.247 1.251 -0.592) 1.863 3.112 ( 1.440 0.587 -1.510) 2.168 3.363 ( 0.324 0.952 0.339) 1.061 3.440 ( 0.552 -2.761 2.169) 3.555 3.603 ( 0.934 0.618 -3.314) 3.498 3.623 ( 0.183 -0.142 -3.529) 3.537 5.311 ( 0.053 0.132 0.262) 0.298 5.323 ( -0.275 -0.357 0.098) 0.461 5.374 ( 0.016 0.232 -0.392) 0.456 5.383 ( -0.262 -0.087 -0.169) 0.324 6.554 ( -1.919 1.308 8.181) 8.504 6.717 ( -1.505 -7.355 10.448) 12.866 6.898 ( -0.439 0.027 1.698) 1.754 6.927 ( 0.187 -1.383 2.114) 2.533 6.955 ( -0.027 0.299 0.023) 0.301 6.995 ( 0.887 -4.934 9.257) 10.527 7.356 ( 3.551 2.492 0.435) 4.360 7.405 ( -0.225 -0.584 -1.264) 1.410 7.821 ( -0.288 0.700 -1.758) 1.914 7.846 ( 0.837 0.690 -0.159) 1.096 7.901 ( -0.723 -0.298 -4.843) 4.906 7.920 ( 1.569 -0.364 -1.613) 2.279 8.034 ( -0.867 0.077 -0.118) 0.879 8.050 ( -0.312 -0.621 0.778) 1.043 8.097 ( 0.093 1.175 0.462) 1.266 8.138 ( -0.088 -0.511 -0.111) 0.530 ======================= Grid point 49 (27/87) ======================= q-point: ( 0.00 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.483 ( -0.967 -2.391 2.248) 3.421 0.483 ( -0.967 2.391 2.248) 3.421 0.526 ( -0.271 -2.066 5.284) 5.680 0.526 ( -0.271 2.066 5.284) 5.680 0.667 ( 2.326 -2.344 0.661) 3.368 0.667 ( 2.326 2.344 0.661) 3.368 0.910 ( 0.711 -5.985 5.880) 8.420 0.910 ( 0.711 5.985 5.880) 8.420 0.997 ( -0.314 -1.973 6.808) 7.095 0.997 ( -0.314 1.973 6.808) 7.095 1.145 ( -0.295 -7.071 0.173) 7.079 1.145 ( -0.295 7.071 0.173) 7.079 1.264 ( -1.943 -2.385 0.427) 3.106 1.264 ( -1.943 2.385 0.427) 3.106 1.474 ( 2.987 -0.864 -0.289) 3.123 1.474 ( 2.987 0.864 -0.289) 3.123 1.526 ( -1.562 -1.039 0.849) 2.059 1.526 ( -1.562 1.039 0.849) 2.059 1.740 ( -0.314 -0.573 -0.311) 0.724 1.740 ( -0.314 0.573 -0.311) 0.724 1.855 ( -0.491 -1.538 -3.009) 3.415 1.855 ( -0.491 1.538 -3.009) 3.415 2.032 ( 3.115 -1.919 -2.726) 4.563 2.032 ( 3.115 1.919 -2.726) 4.563 2.157 ( -0.249 -0.299 -4.021) 4.039 2.157 ( -0.249 0.299 -4.021) 4.039 2.594 ( -0.919 -0.725 0.375) 1.229 2.594 ( -0.919 0.725 0.375) 1.229 2.669 ( 0.005 -0.741 0.618) 0.965 2.669 ( 0.005 0.741 0.618) 0.965 2.735 ( -1.431 -1.673 1.836) 2.867 2.735 ( -1.431 1.673 1.836) 2.867 2.845 ( -0.123 -0.506 2.007) 2.073 2.845 ( -0.123 0.506 2.007) 2.073 3.119 ( -0.136 -0.967 -1.364) 1.677 3.119 ( -0.136 0.967 -1.364) 1.677 3.392 ( -0.913 -1.753 0.716) 2.103 3.392 ( -0.913 1.753 0.716) 2.103 3.613 ( 1.257 -0.165 -3.118) 3.366 3.613 ( 1.257 0.165 -3.118) 3.366 5.314 ( -0.098 -0.407 0.145) 0.443 5.314 ( -0.098 0.407 0.145) 0.443 5.378 ( 0.157 -0.093 -0.220) 0.286 5.378 ( 0.157 0.093 -0.220) 0.286 6.586 ( -4.403 -2.938 10.137) 11.436 6.586 ( -4.403 2.938 10.137) 11.436 6.909 ( -0.500 -1.012 2.491) 2.735 6.909 ( -0.500 1.012 2.491) 2.735 6.961 ( -0.610 -0.593 0.683) 1.091 6.961 ( -0.610 0.593 0.683) 1.091 7.387 ( -0.408 -1.052 -1.800) 2.124 7.387 ( -0.408 1.052 -1.800) 2.124 7.826 ( 0.458 -0.401 -1.545) 1.661 7.826 ( 0.458 0.401 -1.545) 1.661 7.935 ( 1.142 -0.342 -1.641) 2.028 7.935 ( 1.142 0.342 -1.641) 2.028 8.040 ( 0.294 -0.626 1.082) 1.284 8.040 ( 0.294 0.626 1.082) 1.284 8.118 ( -0.249 -0.866 0.113) 0.908 8.118 ( -0.249 0.866 0.113) 0.908 ======================= Grid point 51 (28/87) ======================= q-point: ( 0.14 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.501 ( 0.691 -4.966 3.065) 5.876 0.501 ( 0.691 4.966 3.065) 5.876 0.564 ( 1.765 -3.206 4.258) 5.615 0.564 ( 1.765 3.206 4.258) 5.615 0.728 ( 2.289 -1.320 3.375) 4.286 0.728 ( 2.289 1.320 3.375) 4.286 0.958 ( 1.057 -3.468 4.262) 5.596 0.958 ( 1.057 3.468 4.262) 5.596 1.018 ( -0.815 -1.777 4.935) 5.308 1.018 ( -0.815 1.777 4.935) 5.308 1.147 ( 0.583 -8.852 0.990) 8.926 1.147 ( 0.583 8.852 0.990) 8.926 1.210 ( -3.424 -2.590 0.186) 4.297 1.210 ( -3.424 2.590 0.186) 4.297 1.468 ( -2.862 -4.970 1.522) 5.933 1.468 ( -2.862 4.970 1.522) 5.933 1.557 ( 2.970 -4.319 -0.688) 5.287 1.557 ( 2.970 4.319 -0.688) 5.287 1.733 ( -0.255 -0.415 -0.067) 0.492 1.733 ( -0.255 0.415 -0.067) 0.492 1.826 ( -0.720 -1.511 -3.575) 3.948 1.826 ( -0.720 1.511 -3.575) 3.948 2.041 ( -0.300 -1.750 -1.030) 2.052 2.041 ( -0.300 1.750 -1.030) 2.052 2.173 ( 3.608 -2.261 -4.288) 6.043 2.173 ( 3.608 2.261 -4.288) 6.043 2.581 ( -0.237 -0.810 -0.839) 1.190 2.581 ( -0.237 0.810 -0.839) 1.190 2.670 ( -0.575 -0.586 1.919) 2.087 2.670 ( -0.575 0.586 1.919) 2.087 2.718 ( -1.276 -1.474 1.543) 2.486 2.718 ( -1.276 1.474 1.543) 2.486 2.852 ( -0.235 -0.167 2.035) 2.056 2.852 ( -0.235 0.167 2.035) 2.056 3.098 ( -1.172 -1.101 -1.006) 1.897 3.098 ( -1.172 1.101 -1.006) 1.897 3.371 ( -1.269 -0.956 0.132) 1.594 3.371 ( -1.269 0.956 0.132) 1.594 3.626 ( 1.544 -0.550 -3.046) 3.459 3.626 ( 1.544 0.550 -3.046) 3.459 5.314 ( -0.004 -0.703 -0.019) 0.704 5.314 ( -0.004 0.703 -0.019) 0.704 5.382 ( 0.266 -0.075 -0.139) 0.309 5.382 ( 0.266 0.075 -0.139) 0.309 6.554 ( -3.981 -0.970 8.962) 9.855 6.554 ( -3.981 0.970 8.962) 9.855 6.910 ( -0.696 -0.850 2.269) 2.521 6.910 ( -0.696 0.850 2.269) 2.521 6.951 ( -0.546 -0.174 -0.048) 0.575 6.951 ( -0.546 0.174 -0.048) 0.575 7.367 ( -0.327 -2.681 -1.604) 3.141 7.367 ( -0.327 2.681 -1.604) 3.141 7.830 ( 0.248 -0.412 -1.163) 1.259 7.830 ( 0.248 0.412 -1.163) 1.259 7.935 ( 0.179 -1.885 -1.607) 2.484 7.935 ( 0.179 1.885 -1.607) 2.484 8.056 ( 0.541 -0.403 0.937) 1.154 8.056 ( 0.541 0.403 0.937) 1.154 8.113 ( -0.283 -0.611 -0.054) 0.676 8.113 ( -0.283 0.611 -0.054) 0.676 ======================= Grid point 53 (29/87) ======================= q-point: ( 0.29 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.523 ( -0.260 -4.290 3.402) 5.482 0.523 ( -0.260 4.290 3.402) 5.482 0.631 ( 2.559 -2.084 3.867) 5.084 0.631 ( 2.559 2.084 3.867) 5.084 0.762 ( -0.319 -1.710 3.124) 3.576 0.762 ( -0.319 1.710 3.124) 3.576 0.977 ( -1.155 -2.603 1.227) 3.101 0.977 ( -1.155 2.603 1.227) 3.101 1.008 ( -1.995 -2.338 2.250) 3.809 1.008 ( -1.995 2.338 2.250) 3.809 1.152 ( -2.899 -1.347 2.120) 3.836 1.152 ( -2.899 1.347 2.120) 3.836 1.202 ( 4.188 -7.487 1.619) 8.730 1.202 ( 4.188 7.487 1.619) 8.730 1.420 ( -2.442 -5.233 0.728) 5.820 1.420 ( -2.442 5.233 0.728) 5.820 1.587 ( 0.908 -2.973 -1.133) 3.309 1.587 ( 0.908 2.973 -1.133) 3.309 1.706 ( -3.719 -2.701 1.345) 4.789 1.706 ( -3.719 2.701 1.345) 4.789 1.817 ( 2.558 -1.316 -4.505) 5.345 1.817 ( 2.558 1.316 -4.505) 5.345 2.034 ( -0.245 -2.063 0.061) 2.078 2.034 ( -0.245 2.063 0.061) 2.078 2.220 ( 3.335 -3.063 -3.915) 5.986 2.220 ( 3.335 3.063 -3.915) 5.986 2.578 ( 0.653 -1.033 -1.698) 2.092 2.578 ( 0.653 1.033 -1.698) 2.092 2.665 ( -1.363 -0.478 2.709) 3.069 2.665 ( -1.363 0.478 2.709) 3.069 2.709 ( -0.447 -0.966 1.971) 2.240 2.709 ( -0.447 0.966 1.971) 2.240 2.856 ( -0.524 -0.925 1.892) 2.170 2.856 ( -0.524 0.925 1.892) 2.170 3.071 ( -1.097 -1.303 -0.557) 1.792 3.071 ( -1.097 1.303 -0.557) 1.792 3.352 ( -0.770 -0.529 -0.014) 0.935 3.352 ( -0.770 0.529 -0.014) 0.935 3.635 ( 1.079 -1.100 -3.007) 3.379 3.635 ( 1.079 1.100 -3.007) 3.379 5.314 ( 0.036 -0.872 -0.142) 0.884 5.314 ( 0.036 0.872 -0.142) 0.884 5.387 ( 0.310 -0.217 -0.108) 0.393 5.387 ( 0.310 0.217 -0.108) 0.393 6.536 ( -2.641 -0.141 8.115) 8.536 6.536 ( -2.641 0.141 8.115) 8.536 6.907 ( -0.770 -0.548 1.934) 2.153 6.907 ( -0.770 0.548 1.934) 2.153 6.942 ( -0.221 -0.387 -0.374) 0.582 6.942 ( -0.221 0.387 -0.374) 0.582 7.363 ( 0.450 -3.732 -0.878) 3.861 7.363 ( 0.450 3.732 -0.878) 3.861 7.820 ( -0.566 -0.812 -0.855) 1.308 7.820 ( -0.566 0.812 -0.855) 1.308 7.932 ( 0.408 -2.563 -1.847) 3.186 7.932 ( 0.408 2.563 -1.847) 3.186 8.067 ( 0.191 -0.467 0.551) 0.747 8.067 ( 0.191 0.467 0.551) 0.747 8.107 ( -0.271 -0.401 -0.091) 0.492 8.107 ( -0.271 0.401 -0.091) 0.492 ======================= Grid point 55 (30/87) ======================= q-point: ( 0.43 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.524 ( -0.531 -3.778 0.004) 3.815 0.524 ( -0.531 3.778 0.004) 3.815 0.655 ( -3.341 -2.247 6.900) 7.988 0.655 ( -3.341 2.247 6.900) 7.988 0.796 ( 3.826 -1.878 -0.963) 4.370 0.796 ( 3.826 1.878 -0.963) 4.370 0.915 ( -5.111 -3.608 0.934) 6.326 0.915 ( -5.111 3.608 0.934) 6.326 0.991 ( -1.254 -1.551 3.051) 3.646 0.991 ( -1.254 1.551 3.051) 3.646 1.122 ( -1.626 -0.451 2.563) 3.068 1.122 ( -1.626 0.451 2.563) 3.068 1.277 ( 2.069 -3.143 -0.618) 3.813 1.277 ( 2.069 3.143 -0.618) 3.813 1.407 ( 0.802 -4.144 0.709) 4.280 1.407 ( 0.802 4.144 0.709) 4.280 1.592 ( 0.340 -0.427 -0.776) 0.949 1.592 ( 0.340 0.427 -0.776) 0.949 1.630 ( -3.700 -4.206 0.682) 5.643 1.630 ( -3.700 4.206 0.682) 5.643 1.852 ( 2.895 -1.252 -4.041) 5.126 1.852 ( 2.895 1.252 -4.041) 5.126 2.025 ( -1.024 -1.674 0.680) 2.077 2.025 ( -1.024 1.674 0.680) 2.077 2.253 ( 2.162 -3.239 -3.674) 5.353 2.253 ( 2.162 3.239 -3.674) 5.353 2.588 ( 1.415 -1.108 -1.970) 2.666 2.588 ( 1.415 1.108 -1.970) 2.666 2.648 ( -1.747 -0.466 2.598) 3.165 2.648 ( -1.747 0.466 2.598) 3.165 2.721 ( 0.150 -0.779 3.165) 3.263 2.721 ( 0.150 0.779 3.165) 3.263 2.853 ( -0.714 -1.683 1.693) 2.491 2.853 ( -0.714 1.683 1.693) 2.491 3.055 ( -0.308 -1.393 -0.333) 1.465 3.055 ( -0.308 1.393 -0.333) 1.465 3.345 ( 0.003 -0.664 0.302) 0.730 3.345 ( 0.003 0.664 0.302) 0.730 3.636 ( 0.750 -1.429 -3.010) 3.416 3.636 ( 0.750 1.429 -3.010) 3.416 5.314 ( 0.054 -0.875 -0.141) 0.888 5.314 ( 0.054 0.875 -0.141) 0.888 5.391 ( 0.179 -0.297 -0.146) 0.377 5.391 ( 0.179 0.297 -0.146) 0.377 6.538 ( -1.741 -0.763 8.133) 8.352 6.538 ( -1.741 0.763 8.133) 8.352 6.902 ( -0.712 -0.428 1.614) 1.815 6.902 ( -0.712 0.428 1.614) 1.815 6.939 ( 0.127 -0.531 -0.242) 0.597 6.939 ( 0.127 0.531 -0.242) 0.597 7.369 ( 0.443 -4.151 -0.464) 4.200 7.369 ( 0.443 4.151 -0.464) 4.200 7.809 ( -0.049 -0.718 -0.485) 0.868 7.809 ( -0.049 0.718 -0.485) 0.868 7.929 ( 0.286 -2.622 -2.287) 3.491 7.929 ( 0.286 2.622 -2.287) 3.491 8.068 ( -0.205 -0.449 0.097) 0.503 8.068 ( -0.205 0.449 0.097) 0.503 8.105 ( 0.083 -0.703 0.203) 0.737 8.105 ( 0.083 0.703 0.203) 0.737 ======================= Grid point 57 (31/87) ======================= q-point: (-0.43 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.515 ( 1.190 -3.434 -4.326) 5.650 0.515 ( 1.190 3.434 -4.326) 5.650 0.611 ( -4.637 -5.391 6.726) 9.788 0.611 ( -4.637 5.391 6.726) 9.788 0.799 ( -6.791 -3.405 2.707) 8.065 0.799 ( -6.791 3.405 2.707) 8.065 0.863 ( 1.983 -2.412 -1.277) 3.373 0.863 ( 1.983 2.412 -1.277) 3.373 1.009 ( 0.965 -2.877 3.531) 4.656 1.009 ( 0.965 2.877 3.531) 4.656 1.116 ( -0.040 -0.878 1.613) 1.837 1.116 ( -0.040 0.878 1.613) 1.837 1.266 ( -2.314 -2.144 -0.981) 3.303 1.266 ( -2.314 2.144 -0.981) 3.303 1.411 ( -1.160 -3.359 1.059) 3.708 1.411 ( -1.160 3.359 1.059) 3.708 1.598 ( -0.092 -2.350 -0.350) 2.378 1.598 ( -0.092 2.350 -0.350) 2.378 1.620 ( 3.078 -4.374 -0.090) 5.349 1.620 ( 3.078 4.374 -0.090) 5.349 1.875 ( 1.931 -2.514 -4.266) 5.315 1.875 ( 1.931 2.514 -4.266) 5.315 2.001 ( -1.693 -0.615 0.351) 1.835 2.001 ( -1.693 0.615 0.351) 1.835 2.261 ( 0.568 -2.794 -3.336) 4.388 2.261 ( 0.568 2.794 -3.336) 4.388 2.609 ( 1.606 -1.289 -1.833) 2.757 2.609 ( 1.606 1.289 -1.833) 2.757 2.633 ( -1.117 -0.299 2.674) 2.914 2.633 ( -1.117 0.299 2.674) 2.914 2.740 ( -0.198 -1.105 3.826) 3.987 2.740 ( -0.198 1.105 3.826) 3.987 2.848 ( -0.736 -1.856 1.528) 2.514 2.848 ( -0.736 1.856 1.528) 2.514 3.058 ( 0.872 -1.229 -0.306) 1.538 3.058 ( 0.872 1.229 -0.306) 1.538 3.354 ( 0.641 -1.073 0.806) 1.487 3.354 ( 0.641 1.073 0.806) 1.487 3.633 ( 0.631 -1.353 -3.162) 3.497 3.633 ( 0.631 1.353 -3.162) 3.497 5.314 ( 0.071 -0.794 -0.044) 0.799 5.314 ( 0.071 0.794 -0.044) 0.799 5.391 ( -0.114 -0.331 -0.203) 0.404 5.391 ( -0.114 0.331 -0.203) 0.404 6.554 ( -1.256 -1.617 8.994) 9.224 6.554 ( -1.256 1.617 8.994) 9.224 6.898 ( -0.559 -0.387 1.533) 1.677 6.898 ( -0.559 0.387 1.533) 1.677 6.944 ( 0.396 -0.484 0.133) 0.639 6.944 ( 0.396 0.484 0.133) 0.639 7.372 ( 0.181 -3.839 -0.452) 3.870 7.372 ( 0.181 3.839 -0.452) 3.870 7.817 ( 1.053 -0.885 -0.086) 1.378 7.817 ( 1.053 0.885 -0.086) 1.378 7.917 ( -0.087 -2.754 -2.779) 3.913 7.917 ( -0.087 2.754 -2.779) 3.913 8.061 ( -0.491 -0.346 -0.138) 0.616 8.061 ( -0.491 0.346 -0.138) 0.616 8.111 ( 0.344 -1.091 0.363) 1.200 8.111 ( 0.344 1.091 0.363) 1.200 ======================= Grid point 59 (32/87) ======================= q-point: (-0.29 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.526 ( 0.101 -4.398 0.715) 4.457 0.526 ( 0.101 4.398 0.715) 4.457 0.567 ( -1.014 -5.323 -0.373) 5.432 0.567 ( -1.014 5.323 -0.373) 5.432 0.680 ( -6.545 -3.590 2.650) 7.921 0.680 ( -6.545 3.590 2.650) 7.921 0.885 ( -0.173 -1.955 3.180) 3.736 0.885 ( -0.173 1.955 3.180) 3.736 1.008 ( -2.724 -2.164 1.119) 3.654 1.008 ( -2.724 2.164 1.119) 3.654 1.145 ( 1.345 -3.351 0.972) 3.740 1.145 ( 1.345 3.351 0.972) 3.740 1.225 ( -0.446 -3.667 2.123) 4.261 1.225 ( -0.446 3.667 2.123) 4.261 1.405 ( 0.342 -3.507 0.272) 3.534 1.405 ( 0.342 3.507 0.272) 3.534 1.586 ( -0.717 -2.918 -1.082) 3.194 1.586 ( -0.717 2.918 -1.082) 3.194 1.693 ( 3.602 -4.572 0.437) 5.837 1.693 ( 3.602 4.572 0.437) 5.837 1.884 ( 1.284 -3.400 -3.800) 5.258 1.884 ( 1.284 3.400 -3.800) 5.258 1.970 ( -0.889 -0.185 -1.641) 1.875 1.970 ( -0.889 0.185 -1.641) 1.875 2.241 ( -0.839 -2.252 -2.984) 3.832 2.241 ( -0.839 2.252 -2.984) 3.832 2.617 ( -0.533 -0.751 1.227) 1.535 2.617 ( -0.533 0.751 1.227) 1.535 2.642 ( 1.177 -0.958 -0.190) 1.529 2.642 ( 1.177 0.958 -0.190) 1.529 2.751 ( -0.771 -1.722 3.709) 4.161 2.751 ( -0.771 1.722 3.709) 4.161 2.842 ( -0.692 -1.316 1.527) 2.131 2.842 ( -0.692 1.316 1.527) 2.131 3.083 ( 1.790 -0.806 -0.461) 2.016 3.083 ( 1.790 0.806 -0.461) 2.016 3.374 ( 0.791 -1.542 1.213) 2.115 3.374 ( 0.791 1.542 1.213) 2.115 3.626 ( 0.455 -0.995 -3.392) 3.564 3.626 ( 0.455 0.995 -3.392) 3.564 5.315 ( 0.016 -0.596 0.084) 0.603 5.315 ( 0.016 0.596 0.084) 0.603 5.385 ( -0.302 -0.322 -0.246) 0.506 5.385 ( -0.302 0.322 -0.246) 0.506 6.582 ( -1.336 -2.879 10.286) 10.765 6.582 ( -1.336 2.879 10.286) 10.765 6.898 ( -0.376 -0.345 1.867) 1.936 6.898 ( -0.376 0.345 1.867) 1.936 6.954 ( 0.388 -0.183 0.608) 0.744 6.954 ( 0.388 0.183 0.608) 0.744 7.375 ( 0.590 -2.883 -0.562) 2.996 7.375 ( 0.590 2.883 -0.562) 2.996 7.842 ( 1.234 -0.937 0.043) 1.550 7.842 ( 1.234 0.937 0.043) 1.550 7.898 ( 0.031 -2.231 -3.239) 3.934 7.898 ( 0.031 2.231 -3.239) 3.934 8.050 ( -0.612 -0.255 -0.061) 0.666 8.050 ( -0.612 0.255 -0.061) 0.666 8.118 ( 0.198 -1.249 0.282) 1.296 8.118 ( 0.198 1.249 0.282) 1.296 ======================= Grid point 61 (33/87) ======================= q-point: (-0.14 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.511 ( -2.620 -5.209 5.652) 8.121 0.511 ( -2.620 5.209 5.652) 8.121 0.535 ( -3.282 -3.971 0.390) 5.166 0.535 ( -3.282 3.971 0.390) 5.166 0.635 ( 1.464 -3.104 -1.427) 3.717 0.635 ( 1.464 3.104 -1.427) 3.717 0.887 ( -1.346 -3.895 4.715) 6.262 0.887 ( -1.346 3.895 4.715) 6.262 0.975 ( -1.363 -1.952 5.102) 5.630 0.975 ( -1.363 1.952 5.102) 5.630 1.151 ( -0.375 -5.828 0.293) 5.847 1.151 ( -0.375 5.828 0.293) 5.847 1.263 ( 1.416 -2.243 1.892) 3.258 1.263 ( 1.416 2.243 1.892) 3.258 1.425 ( 1.844 -3.092 -0.171) 3.604 1.425 ( 1.844 3.092 -0.171) 3.604 1.560 ( -1.563 -2.285 -0.727) 2.862 1.560 ( -1.563 2.285 -0.727) 2.862 1.739 ( 0.783 -2.571 0.627) 2.760 1.739 ( 0.783 2.571 0.627) 2.760 1.878 ( -0.263 -1.479 -2.648) 3.045 1.878 ( -0.263 1.479 -2.648) 3.045 1.976 ( 3.439 -1.694 -4.008) 5.546 1.976 ( 3.439 1.694 -4.008) 5.546 2.201 ( -1.650 -1.596 -3.120) 3.874 2.201 ( -1.650 1.596 -3.120) 3.874 2.609 ( -1.022 -0.754 1.378) 1.874 2.609 ( -1.022 0.754 1.378) 1.874 2.661 ( 0.822 -1.077 -0.344) 1.398 2.661 ( 0.822 1.077 -0.344) 1.398 2.749 ( -1.218 -2.004 2.717) 3.589 2.749 ( -1.218 2.004 2.717) 3.589 2.839 ( -0.421 -0.717 1.765) 1.951 2.839 ( -0.421 0.717 1.765) 1.951 3.112 ( 1.439 -0.640 -0.990) 1.861 3.112 ( 1.439 0.640 -0.990) 1.861 3.392 ( 0.290 -1.971 1.279) 2.367 3.392 ( 0.290 1.971 1.279) 2.367 3.615 ( 0.412 -0.594 -3.409) 3.485 3.615 ( 0.412 0.594 -3.409) 3.485 5.315 ( -0.092 -0.320 0.177) 0.377 5.315 ( -0.092 0.320 0.177) 0.377 5.379 ( -0.133 -0.230 -0.255) 0.368 5.379 ( -0.133 0.230 -0.255) 0.368 6.601 ( -2.747 -3.888 10.801) 11.804 6.601 ( -2.747 3.888 10.801) 11.804 6.903 ( -0.292 -0.680 2.406) 2.518 6.903 ( -0.292 0.680 2.406) 2.518 6.963 ( -0.026 -0.474 1.014) 1.120 6.963 ( -0.026 0.474 1.014) 1.120 7.388 ( 0.922 -1.172 -0.933) 1.759 7.388 ( 0.922 1.172 -0.933) 1.759 7.839 ( -0.709 -0.970 -1.762) 2.132 7.839 ( -0.709 0.970 -1.762) 2.132 7.908 ( 2.180 -0.731 -1.747) 2.888 7.908 ( 2.180 0.731 -1.747) 2.888 8.039 ( -0.513 -0.435 0.408) 0.786 8.039 ( -0.513 0.435 0.408) 0.786 8.121 ( -0.102 -1.147 0.194) 1.167 8.121 ( -0.102 1.147 0.194) 1.167 ======================= Grid point 70 (34/87) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.370 ( 3.035 0.000 7.548) 8.136 0.391 ( 4.392 0.000 4.499) 6.288 0.546 ( 0.934 0.000 2.631) 2.792 0.664 ( -0.442 0.000 -0.133) 0.461 0.790 ( 3.026 0.000 4.852) 5.718 0.851 ( 2.557 0.000 4.729) 5.376 0.854 ( -0.364 0.000 2.482) 2.508 0.951 ( -0.120 0.000 -1.109) 1.115 1.084 ( -1.019 0.000 0.507) 1.138 1.097 ( -4.621 0.000 10.449) 11.426 1.206 ( -1.406 0.000 1.221) 1.862 1.248 ( -1.392 0.000 2.839) 3.162 1.332 ( 5.415 0.000 -0.182) 5.418 1.366 ( -1.945 0.000 8.275) 8.501 1.469 ( -3.224 0.000 -1.599) 3.598 1.535 ( 3.654 0.000 0.717) 3.724 1.588 ( -2.997 0.000 3.083) 4.300 1.627 ( 0.927 0.000 -4.962) 5.047 1.665 ( 4.758 0.000 2.141) 5.218 1.729 ( 0.533 0.000 -3.201) 3.245 1.739 ( 0.110 0.000 0.524) 0.536 1.814 ( -4.779 0.000 2.091) 5.217 1.890 ( -0.778 0.000 -2.532) 2.649 2.002 ( 2.137 0.000 -1.884) 2.849 2.076 ( 4.252 0.000 -5.616) 7.044 2.126 ( -2.689 0.000 -0.090) 2.690 2.511 ( 0.561 0.000 -5.314) 5.344 2.588 ( -0.125 0.000 -5.021) 5.023 2.680 ( -0.458 0.000 2.806) 2.843 2.713 ( -0.714 0.000 2.233) 2.344 2.767 ( -1.012 0.000 2.133) 2.361 2.789 ( -0.975 0.000 1.625) 1.895 2.890 ( -0.579 0.000 4.466) 4.503 2.920 ( -0.379 0.000 3.876) 3.894 3.066 ( -0.275 0.000 -0.906) 0.947 3.095 ( 0.587 0.000 -0.323) 0.670 3.349 ( 0.228 0.000 -0.569) 0.613 3.435 ( -2.138 0.000 -1.588) 2.663 3.524 ( 1.185 0.000 -5.369) 5.498 3.540 ( 2.549 0.000 -4.059) 4.793 5.305 ( -0.750 0.000 0.151) 0.765 5.335 ( 0.064 0.000 0.443) 0.447 5.363 ( 0.662 0.000 -0.675) 0.945 5.375 ( 0.015 0.000 -0.384) 0.385 6.713 ( -2.327 0.000 8.984) 9.280 6.802 ( -2.553 0.000 2.509) 3.580 6.936 ( 0.083 0.000 -0.528) 0.534 6.942 ( -0.828 0.000 3.006) 3.118 6.944 ( -0.385 0.000 -0.191) 0.430 7.233 ( -0.166 0.000 -2.047) 2.053 7.273 ( -12.308 0.000 0.151) 12.309 7.380 ( 1.349 0.000 -1.557) 2.060 7.795 ( 1.286 0.000 -0.998) 1.628 7.813 ( -0.123 0.000 -0.861) 0.870 7.874 ( 4.489 0.000 -2.232) 5.013 7.895 ( -0.380 0.000 -1.628) 1.672 8.048 ( 0.425 0.000 1.193) 1.266 8.095 ( 0.171 0.000 1.270) 1.281 8.107 ( 0.324 0.000 0.670) 0.744 8.130 ( -0.387 0.000 -0.533) 0.658 ======================= Grid point 71 (35/87) ======================= q-point: ( 0.14 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.448 ( -0.858 0.000 5.411) 5.478 0.517 ( 7.826 0.000 2.231) 8.138 0.589 ( 1.174 0.000 -2.882) 3.112 0.683 ( 3.713 0.000 1.659) 4.067 0.814 ( 0.786 0.000 -3.886) 3.964 0.901 ( 1.640 0.000 3.747) 4.090 0.927 ( 2.293 0.000 4.910) 5.419 0.987 ( 3.908 0.000 3.297) 5.113 1.044 ( -6.682 0.000 11.699) 13.473 1.048 ( -2.582 0.000 -0.814) 2.708 1.181 ( -1.434 0.000 0.789) 1.636 1.234 ( -1.720 0.000 3.203) 3.636 1.341 ( -4.548 0.000 7.704) 8.947 1.364 ( -5.802 0.000 0.338) 5.812 1.428 ( 2.725 0.000 -0.080) 2.726 1.524 ( -4.502 0.000 3.469) 5.683 1.553 ( -1.053 0.000 -1.015) 1.463 1.671 ( 5.141 0.000 -5.875) 7.807 1.691 ( -3.064 0.000 -1.128) 3.266 1.719 ( -4.625 0.000 2.442) 5.230 1.772 ( 4.160 0.000 0.339) 4.174 1.796 ( 4.228 0.000 0.854) 4.313 1.867 ( 0.267 0.000 -3.908) 3.917 2.038 ( 2.526 0.000 -2.449) 3.518 2.075 ( -2.881 0.000 1.789) 3.391 2.140 ( 5.225 0.000 -5.379) 7.499 2.492 ( 0.457 0.000 -5.124) 5.144 2.559 ( 0.059 0.000 -4.772) 4.773 2.695 ( 0.448 0.000 2.855) 2.890 2.711 ( -0.678 0.000 2.446) 2.538 2.763 ( -1.093 0.000 3.340) 3.514 2.771 ( -1.629 0.000 1.130) 1.983 2.907 ( 0.039 0.000 3.836) 3.837 2.923 ( -1.360 0.000 3.454) 3.712 3.050 ( -0.984 0.000 -0.380) 1.055 3.097 ( -0.128 0.000 -0.456) 0.474 3.351 ( 0.114 0.000 -0.027) 0.117 3.386 ( -1.961 0.000 -1.074) 2.236 3.519 ( 1.176 0.000 -5.301) 5.430 3.569 ( 2.542 0.000 -3.898) 4.654 5.294 ( -0.430 0.000 0.096) 0.441 5.337 ( -0.074 0.000 0.232) 0.244 5.372 ( 0.265 0.000 -0.372) 0.457 5.377 ( 0.667 0.000 -0.513) 0.841 6.716 ( -2.334 0.000 9.654) 9.932 6.753 ( -4.597 0.000 5.727) 7.344 6.929 ( -0.556 0.000 -0.391) 0.679 6.937 ( -0.017 0.000 -0.765) 0.766 6.944 ( -0.631 0.000 2.840) 2.909 7.080 ( -8.220 0.000 4.330) 9.290 7.224 ( 0.428 0.000 -1.968) 2.014 7.409 ( 2.197 0.000 -0.572) 2.271 7.801 ( -0.561 0.000 -0.889) 1.051 7.812 ( 1.065 0.000 -1.320) 1.696 7.868 ( -1.471 0.000 -1.615) 2.185 7.918 ( 1.980 0.000 -3.367) 3.906 8.059 ( 0.127 0.000 0.910) 0.919 8.102 ( -0.020 0.000 0.690) 0.690 8.108 ( -0.432 0.000 -0.374) 0.571 8.123 ( -0.084 0.000 0.222) 0.238 ======================= Grid point 72 (36/87) ======================= q-point: ( 0.29 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.421 ( -3.941 0.000 0.640) 3.993 0.565 ( -0.561 0.000 -3.528) 3.573 0.622 ( 2.960 0.000 -3.942) 4.929 0.777 ( 3.536 0.000 0.000) 3.536 0.830 ( 2.907 0.000 -1.013) 3.079 0.921 ( -2.107 0.000 0.712) 2.224 0.968 ( -0.561 0.000 1.741) 1.829 1.005 ( -1.976 0.000 10.893) 11.071 1.008 ( -0.506 0.000 2.396) 2.448 1.108 ( 5.781 0.000 4.564) 7.366 1.158 ( -1.374 0.000 0.163) 1.383 1.216 ( -1.871 0.000 2.949) 3.492 1.251 ( -6.096 0.000 1.742) 6.340 1.291 ( -4.681 0.000 7.929) 9.208 1.399 ( -5.640 0.000 3.605) 6.694 1.526 ( 2.237 0.000 1.578) 2.738 1.530 ( -0.344 0.000 -1.725) 1.759 1.598 ( -5.983 0.000 -0.064) 5.983 1.649 ( -3.155 0.000 1.777) 3.621 1.713 ( 1.928 0.000 -5.500) 5.828 1.845 ( 3.239 0.000 0.910) 3.364 1.858 ( 0.930 0.000 -4.014) 4.120 1.882 ( 3.777 0.000 0.012) 3.777 2.036 ( -1.707 0.000 0.633) 1.820 2.069 ( 1.759 0.000 -1.957) 2.632 2.205 ( 4.361 0.000 -5.460) 6.988 2.482 ( 1.300 0.000 -4.623) 4.802 2.545 ( 1.077 0.000 -4.724) 4.845 2.714 ( -0.527 0.000 2.833) 2.882 2.723 ( 0.880 0.000 2.747) 2.885 2.744 ( -1.798 0.000 1.295) 2.216 2.757 ( -1.445 0.000 3.540) 3.824 2.905 ( -1.998 0.000 3.470) 4.005 2.931 ( 0.096 0.000 3.352) 3.354 3.030 ( -0.998 0.000 0.125) 1.006 3.087 ( -0.597 0.000 -0.618) 0.859 3.344 ( -0.987 0.000 -0.174) 1.002 3.367 ( 0.511 0.000 0.053) 0.514 3.512 ( 1.082 0.000 -5.244) 5.355 3.591 ( 1.811 0.000 -4.023) 4.412 5.292 ( 0.075 0.000 0.204) 0.218 5.335 ( -0.154 0.000 0.002) 0.154 5.373 ( 0.164 0.000 -0.510) 0.536 5.387 ( 0.573 0.000 -0.416) 0.708 6.705 ( -4.125 0.000 8.234) 9.210 6.730 ( -1.646 0.000 10.175) 10.307 6.917 ( -0.384 0.000 -0.560) 0.679 6.934 ( 0.159 0.000 -0.874) 0.889 6.947 ( -0.611 0.000 3.187) 3.245 6.998 ( -3.578 0.000 3.971) 5.345 7.229 ( 1.017 0.000 -1.509) 1.819 7.447 ( 1.739 0.000 -0.207) 1.751 7.786 ( -0.448 0.000 -0.827) 0.940 7.819 ( 0.615 0.000 -1.983) 2.076 7.832 ( -1.277 0.000 -1.302) 1.824 7.928 ( 1.063 0.000 -3.199) 3.371 8.064 ( -0.048 0.000 0.996) 0.997 8.094 ( -0.585 0.000 -0.742) 0.945 8.101 ( -0.361 0.000 0.201) 0.413 8.125 ( 0.048 0.000 0.458) 0.460 ======================= Grid point 73 (37/87) ======================= q-point: (-0.57 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.308 ( -6.324 0.000 -4.991) 8.056 0.550 ( 0.908 0.000 -3.028) 3.161 0.612 ( -0.940 0.000 -4.222) 4.325 0.774 ( -2.802 0.000 -1.540) 3.197 0.852 ( -4.091 0.000 1.795) 4.467 0.900 ( 3.138 0.000 1.260) 3.381 0.943 ( -2.231 0.000 -1.236) 2.550 1.043 ( -1.615 0.000 9.432) 9.569 1.051 ( 2.187 0.000 4.789) 5.265 1.136 ( -1.680 0.000 -0.516) 1.758 1.168 ( -2.945 0.000 3.499) 4.573 1.173 ( -1.216 0.000 1.368) 1.831 1.224 ( 0.088 0.000 2.270) 2.271 1.293 ( 2.862 0.000 6.958) 7.523 1.317 ( -4.641 0.000 5.333) 7.070 1.469 ( -7.347 0.000 1.718) 7.545 1.520 ( -0.454 0.000 -1.766) 1.823 1.572 ( 1.499 0.000 1.001) 1.803 1.626 ( -0.626 0.000 2.070) 2.163 1.705 ( 0.876 0.000 -5.115) 5.189 1.860 ( 1.515 0.000 -3.924) 4.207 1.899 ( 1.683 0.000 1.513) 2.263 1.926 ( 1.085 0.000 -0.882) 1.398 2.008 ( -1.558 0.000 0.315) 1.590 2.089 ( 1.763 0.000 -3.277) 3.721 2.240 ( 2.209 0.000 -5.332) 5.772 2.492 ( 2.015 0.000 -4.279) 4.730 2.552 ( 2.368 0.000 -4.940) 5.479 2.717 ( -1.011 0.000 2.364) 2.571 2.728 ( -0.403 0.000 2.835) 2.864 2.745 ( -1.692 0.000 3.318) 3.725 2.752 ( 0.736 0.000 2.154) 2.276 2.889 ( -1.612 0.000 3.808) 4.135 2.944 ( -0.564 0.000 3.082) 3.134 3.018 ( -0.294 0.000 0.419) 0.512 3.072 ( -0.434 0.000 -0.838) 0.944 3.330 ( -0.194 0.000 -0.356) 0.405 3.389 ( 1.427 0.000 1.030) 1.760 3.505 ( 1.093 0.000 -5.239) 5.352 3.594 ( 0.898 0.000 -4.343) 4.435 5.297 ( 0.247 0.000 0.377) 0.451 5.333 ( 0.044 0.000 -0.062) 0.076 5.373 ( 0.088 0.000 -0.704) 0.709 5.392 ( 0.158 0.000 -0.465) 0.491 6.684 ( -2.954 0.000 8.761) 9.246 6.762 ( -0.485 0.000 9.815) 9.827 6.912 ( 0.172 0.000 -0.559) 0.585 6.936 ( 0.430 0.000 -0.711) 0.831 6.957 ( -0.574 0.000 4.811) 4.845 6.969 ( -1.493 0.000 3.619) 3.914 7.243 ( 1.083 0.000 -1.117) 1.555 7.460 ( -0.185 0.000 -1.082) 1.097 7.779 ( 0.217 0.000 -0.672) 0.706 7.815 ( 0.226 0.000 -2.380) 2.390 7.817 ( 0.426 0.000 -0.582) 0.722 7.927 ( 0.694 0.000 -3.347) 3.419 8.069 ( -0.065 0.000 1.083) 1.085 8.081 ( -0.319 0.000 -0.521) 0.611 8.092 ( -0.578 0.000 -0.096) 0.585 8.129 ( 0.135 0.000 0.338) 0.364 ======================= Grid point 74 (38/87) ======================= q-point: (-0.43 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.163 ( -2.812 0.000 -12.192) 12.512 0.555 ( -3.475 0.000 -0.699) 3.544 0.570 ( 2.445 0.000 -2.373) 3.407 0.690 ( -4.823 0.000 -0.132) 4.824 0.784 ( -3.094 0.000 -2.796) 4.170 0.887 ( -2.781 0.000 0.084) 2.782 0.955 ( 0.760 0.000 3.013) 3.107 1.016 ( -5.924 0.000 11.834) 13.234 1.057 ( -3.999 0.000 3.304) 5.187 1.128 ( 1.025 0.000 2.464) 2.669 1.160 ( -1.208 0.000 1.655) 2.049 1.175 ( 1.326 0.000 1.581) 2.063 1.235 ( 0.132 0.000 3.338) 3.341 1.312 ( 1.639 0.000 4.083) 4.400 1.324 ( -6.495 0.000 7.514) 9.932 1.420 ( 3.701 0.000 -0.908) 3.810 1.505 ( 1.011 0.000 -1.883) 2.138 1.585 ( -0.410 0.000 0.169) 0.444 1.635 ( 0.026 0.000 2.437) 2.437 1.705 ( 1.739 0.000 -5.217) 5.499 1.881 ( 2.846 0.000 -3.699) 4.667 1.915 ( -1.707 0.000 -0.231) 1.723 1.925 ( 0.004 0.000 1.592) 1.592 1.981 ( -1.218 0.000 -0.603) 1.359 2.096 ( 0.698 0.000 -3.813) 3.876 2.235 ( 0.184 0.000 -4.649) 4.653 2.507 ( 1.994 0.000 -4.596) 5.010 2.579 ( 3.022 0.000 -5.015) 5.856 2.711 ( -0.770 0.000 2.446) 2.565 2.727 ( -1.834 0.000 2.642) 3.216 2.748 ( 0.452 0.000 3.475) 3.504 2.773 ( 0.363 0.000 1.752) 1.789 2.885 ( -1.068 0.000 4.131) 4.267 2.939 ( -1.597 0.000 2.906) 3.316 3.024 ( 0.696 0.000 0.386) 0.796 3.065 ( 0.264 0.000 -1.076) 1.108 3.332 ( 0.459 0.000 -0.442) 0.637 3.427 ( 1.833 0.000 1.246) 2.216 3.500 ( 1.319 0.000 -5.264) 5.427 3.581 ( 0.257 0.000 -4.711) 4.718 5.304 ( 0.281 0.000 0.514) 0.586 5.335 ( 0.083 0.000 0.085) 0.119 5.369 ( -0.050 0.000 -0.850) 0.852 5.389 ( -0.139 0.000 -0.576) 0.592 6.682 ( -2.089 0.000 8.746) 8.992 6.806 ( 0.217 0.000 6.288) 6.292 6.917 ( 0.604 0.000 -0.446) 0.751 6.942 ( 0.511 0.000 -0.402) 0.650 6.953 ( -1.384 0.000 3.468) 3.734 7.017 ( 2.774 0.000 9.914) 10.295 7.255 ( 0.706 0.000 -1.007) 1.230 7.434 ( -1.381 0.000 -2.257) 2.645 7.787 ( 0.864 0.000 -0.538) 1.018 7.805 ( 0.042 0.000 -2.343) 2.343 7.839 ( 1.803 0.000 -0.242) 1.819 7.916 ( 0.010 0.000 -4.021) 4.021 8.068 ( -0.592 0.000 0.198) 0.624 8.077 ( 0.040 0.000 -0.075) 0.085 8.082 ( -0.439 0.000 0.660) 0.793 8.134 ( 0.216 0.000 0.168) 0.273 ======================= Grid point 75 (39/87) ======================= q-point: (-0.29 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.150 ( 7.252 0.000 -9.760) 12.159 0.478 ( -5.313 0.000 1.797) 5.609 0.573 ( -1.895 0.000 -1.307) 2.302 0.646 ( 0.530 0.000 2.154) 2.218 0.702 ( -3.949 0.000 0.578) 3.991 0.837 ( -3.613 0.000 2.854) 4.605 0.939 ( -3.353 0.000 3.471) 4.826 0.996 ( -2.133 0.000 6.017) 6.384 1.031 ( 0.219 0.000 3.667) 3.673 1.125 ( -4.399 0.000 7.207) 8.443 1.148 ( 0.939 0.000 0.383) 1.015 1.226 ( 2.251 0.000 1.866) 2.924 1.252 ( 0.059 0.000 1.001) 1.003 1.281 ( -2.896 0.000 12.795) 13.119 1.394 ( 4.706 0.000 1.676) 4.995 1.455 ( 2.542 0.000 -4.968) 5.580 1.567 ( -1.047 0.000 -0.375) 1.112 1.569 ( 4.747 0.000 -0.379) 4.762 1.643 ( -0.619 0.000 2.289) 2.371 1.708 ( 1.614 0.000 -5.672) 5.897 1.859 ( -3.950 0.000 0.175) 3.954 1.914 ( 1.817 0.000 -3.197) 3.677 1.920 ( -1.754 0.000 2.454) 3.016 1.967 ( 0.938 0.000 -1.693) 1.935 2.074 ( -0.541 0.000 -4.480) 4.512 2.207 ( -0.812 0.000 -3.251) 3.351 2.519 ( 1.885 0.000 -5.028) 5.369 2.605 ( 2.299 0.000 -5.053) 5.552 2.705 ( -1.896 0.000 2.451) 3.099 2.712 ( -0.573 0.000 2.465) 2.530 2.774 ( 0.331 0.000 3.225) 3.242 2.784 ( 0.093 0.000 0.909) 0.913 2.885 ( -1.323 0.000 3.984) 4.198 2.919 ( -2.094 0.000 3.573) 4.141 3.045 ( 1.319 0.000 0.048) 1.320 3.070 ( 0.797 0.000 -1.174) 1.419 3.340 ( 0.629 0.000 -0.627) 0.888 3.463 ( 1.284 0.000 0.304) 1.320 3.502 ( 1.740 0.000 -5.144) 5.430 3.558 ( 0.153 0.000 -4.979) 4.982 5.313 ( 0.262 0.000 0.576) 0.633 5.335 ( -0.221 0.000 0.261) 0.342 5.363 ( -0.070 0.000 -0.905) 0.908 5.383 ( -0.182 0.000 -0.586) 0.614 6.694 ( -1.625 0.000 8.628) 8.779 6.827 ( -0.323 0.000 2.411) 2.433 6.927 ( 0.624 0.000 -0.410) 0.747 6.947 ( -1.159 0.000 3.356) 3.551 6.948 ( 0.266 0.000 -0.114) 0.290 7.187 ( 8.637 0.000 12.770) 15.417 7.257 ( 0.141 0.000 -1.196) 1.204 7.397 ( -0.943 0.000 -2.705) 2.865 7.794 ( 0.023 0.000 -2.050) 2.050 7.802 ( 0.950 0.000 -0.572) 1.109 7.873 ( 1.923 0.000 -0.712) 2.051 7.878 ( -1.824 0.000 -4.972) 5.296 8.051 ( -1.006 0.000 -0.019) 1.006 8.082 ( 0.370 0.000 0.429) 0.567 8.082 ( -0.213 0.000 1.335) 1.352 8.138 ( 0.150 0.000 -0.069) 0.165 ======================= Grid point 76 (40/87) ======================= q-point: (-0.14 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.265 ( 7.116 0.000 -0.863) 7.168 0.374 ( -6.271 0.000 5.165) 8.124 0.542 ( -1.473 0.000 2.550) 2.945 0.668 ( -0.071 0.000 1.683) 1.685 0.698 ( 1.454 0.000 7.648) 7.785 0.805 ( -0.657 0.000 3.795) 3.851 0.885 ( -3.050 0.000 0.603) 3.109 0.974 ( -1.697 0.000 0.406) 1.745 1.077 ( 1.144 0.000 2.991) 3.202 1.106 ( -2.938 0.000 11.204) 11.583 1.186 ( 2.962 0.000 0.350) 2.982 1.253 ( -0.642 0.000 2.324) 2.411 1.263 ( 1.448 0.000 0.394) 1.501 1.324 ( -0.294 0.000 12.296) 12.299 1.481 ( 2.697 0.000 -3.722) 4.597 1.481 ( 3.172 0.000 -0.842) 3.281 1.566 ( 1.648 0.000 0.723) 1.800 1.632 ( 1.705 0.000 -1.531) 2.292 1.634 ( -1.564 0.000 2.653) 3.080 1.715 ( 2.487 0.000 -5.294) 5.849 1.780 ( -4.136 0.000 0.770) 4.207 1.883 ( -3.589 0.000 2.512) 4.381 1.912 ( -0.223 0.000 -1.749) 1.763 1.986 ( 1.325 0.000 -2.561) 2.884 2.049 ( 1.448 0.000 -5.625) 5.808 2.171 ( -1.617 0.000 -1.735) 2.372 2.522 ( 1.265 0.000 -5.284) 5.433 2.608 ( 0.876 0.000 -5.083) 5.158 2.685 ( -1.511 0.000 2.582) 2.992 2.714 ( -0.599 0.000 2.247) 2.325 2.780 ( -0.933 0.000 0.556) 1.086 2.790 ( -0.272 0.000 2.513) 2.528 2.882 ( -1.038 0.000 4.239) 4.364 2.909 ( -1.114 0.000 4.566) 4.700 3.066 ( 0.839 0.000 -0.805) 1.163 3.081 ( 0.917 0.000 -0.573) 1.081 3.347 ( 0.459 0.000 -0.742) 0.872 3.470 ( -0.483 0.000 -1.309) 1.395 3.513 ( 2.281 0.000 -4.788) 5.303 3.538 ( 0.571 0.000 -5.065) 5.097 5.316 ( -0.322 0.000 0.363) 0.485 5.332 ( -0.129 0.000 0.458) 0.476 5.359 ( 0.204 0.000 -0.867) 0.891 5.378 ( -0.065 0.000 -0.455) 0.459 6.707 ( -1.847 0.000 8.635) 8.830 6.824 ( -0.987 0.000 1.451) 1.755 6.934 ( 0.388 0.000 -0.482) 0.619 6.944 ( -1.043 0.000 3.250) 3.413 6.950 ( -0.119 0.000 0.007) 0.119 7.248 ( -0.301 0.000 -1.662) 1.689 7.376 ( 0.202 0.000 -2.387) 2.396 7.391 ( 3.847 0.000 2.371) 4.519 7.781 ( -0.114 0.000 -1.749) 1.752 7.813 ( 0.509 0.000 -0.736) 0.895 7.821 ( 0.001 0.000 -1.717) 1.717 7.897 ( 1.028 0.000 -1.335) 1.684 8.039 ( -0.314 0.000 0.906) 0.959 8.087 ( -0.063 0.000 1.438) 1.440 8.094 ( 0.532 0.000 0.740) 0.911 8.137 ( -0.108 0.000 -0.354) 0.370 ======================= Grid point 77 (41/87) ======================= q-point: ( 0.00 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.388 ( 1.259 3.923 3.972) 5.722 0.480 ( 2.145 5.439 4.061) 7.119 0.559 ( 1.865 0.804 0.184) 2.039 0.634 ( 0.442 -2.165 1.235) 2.531 0.753 ( 1.633 -4.771 2.250) 5.522 0.778 ( 2.587 -1.997 4.935) 5.919 0.930 ( 1.219 2.830 4.373) 5.350 0.975 ( -0.770 2.749 -0.548) 2.907 1.061 ( -1.288 -1.181 1.170) 2.103 1.147 ( -3.082 4.005 7.370) 8.936 1.207 ( 0.728 -3.478 3.045) 4.679 1.227 ( -1.614 1.238 1.828) 2.734 1.291 ( -0.260 -2.311 6.214) 6.635 1.376 ( -1.748 -1.942 3.897) 4.692 1.445 ( -0.436 -0.670 -0.636) 1.021 1.510 ( 1.131 -1.875 1.512) 2.661 1.552 ( -1.119 -1.573 1.007) 2.178 1.586 ( 2.153 -2.492 0.263) 3.304 1.705 ( 2.716 1.624 -1.343) 3.438 1.751 ( -2.231 -0.028 -0.172) 2.238 1.759 ( -1.413 2.329 -0.781) 2.834 1.835 ( -1.074 1.294 0.324) 1.712 1.901 ( 1.503 2.170 -3.112) 4.081 2.011 ( 3.357 0.278 -1.713) 3.780 2.067 ( 2.674 -0.566 -5.566) 6.201 2.110 ( -2.554 -1.409 -0.953) 3.069 2.522 ( 0.470 1.036 -5.053) 5.179 2.575 ( -0.075 -1.188 -4.742) 4.889 2.689 ( -0.268 0.915 2.692) 2.855 2.724 ( -0.213 0.542 2.127) 2.205 2.755 ( -1.387 -0.424 2.330) 2.744 2.789 ( -1.307 -0.396 1.458) 1.998 2.894 ( -0.664 0.425 4.254) 4.327 2.914 ( -0.575 -0.500 3.924) 3.997 3.076 ( -0.160 0.845 -1.035) 1.345 3.098 ( 0.444 0.091 -0.793) 0.913 3.362 ( -0.099 1.180 -0.526) 1.295 3.421 ( -1.668 -1.250 -1.245) 2.428 3.528 ( 1.371 0.339 -5.170) 5.360 3.539 ( 2.235 -0.114 -4.213) 4.770 5.309 ( -0.602 0.355 0.198) 0.726 5.329 ( -0.012 -0.493 0.393) 0.631 5.366 ( 0.537 0.235 -0.654) 0.878 5.374 ( 0.120 -0.110 -0.463) 0.491 6.725 ( -2.638 1.239 8.636) 9.115 6.790 ( -2.800 -1.241 3.808) 4.887 6.936 ( -0.013 -0.032 0.044) 0.056 6.937 ( -0.302 -0.058 0.461) 0.554 6.962 ( -1.251 1.619 2.506) 3.235 7.133 ( -5.657 -6.977 4.399) 10.001 7.306 ( -2.923 1.839 -2.815) 4.456 7.372 ( 0.822 -0.989 -1.947) 2.334 7.796 ( 1.253 0.106 -0.991) 1.601 7.806 ( 0.450 -0.435 -0.994) 1.174 7.884 ( 2.561 0.664 -2.435) 3.595 7.897 ( 0.100 0.065 -1.870) 1.874 8.052 ( 0.359 0.453 1.215) 1.345 8.083 ( 0.223 -0.918 1.341) 1.640 8.112 ( 0.005 0.333 0.439) 0.551 8.126 ( -0.395 -0.326 -0.387) 0.642 ======================= Grid point 78 (42/87) ======================= q-point: ( 0.14 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.448 ( 1.115 1.224 3.692) 4.046 0.551 ( 4.338 1.905 1.024) 4.847 0.581 ( 0.643 -0.682 -2.236) 2.425 0.680 ( 3.167 -0.615 2.487) 4.073 0.799 ( 2.399 -1.827 -0.048) 3.016 0.839 ( 0.938 -1.893 3.107) 3.757 0.961 ( 2.386 -0.583 -0.232) 2.467 0.999 ( -0.115 0.588 3.944) 3.989 1.047 ( -0.090 2.123 2.362) 3.177 1.100 ( -4.995 4.815 7.407) 10.149 1.195 ( -2.986 0.673 3.655) 4.767 1.217 ( -0.772 -1.294 0.541) 1.600 1.298 ( -4.329 -3.103 7.489) 9.190 1.343 ( -1.115 -4.366 1.412) 4.722 1.456 ( -3.054 0.341 1.664) 3.494 1.464 ( 0.357 2.014 1.270) 2.407 1.567 ( -0.864 -2.201 1.187) 2.646 1.637 ( -0.832 -3.511 -0.157) 3.612 1.679 ( 1.059 1.376 -3.898) 4.267 1.741 ( -0.274 -0.091 1.233) 1.266 1.773 ( 1.620 0.396 -0.167) 1.676 1.791 ( -1.940 -0.169 -1.617) 2.531 1.927 ( 2.360 4.986 -2.266) 5.963 2.057 ( 2.243 1.217 -3.385) 4.239 2.067 ( -1.177 -0.759 1.894) 2.355 2.120 ( 5.034 -1.772 -5.324) 7.539 2.504 ( 0.469 1.066 -4.867) 5.004 2.550 ( 0.185 -0.907 -4.573) 4.666 2.704 ( 0.305 0.858 2.753) 2.900 2.724 ( -0.884 1.188 2.104) 2.573 2.748 ( -0.845 -1.126 3.067) 3.375 2.769 ( -1.530 -0.508 1.350) 2.103 2.907 ( -0.297 0.047 3.888) 3.900 2.918 ( -1.231 -0.448 3.628) 3.857 3.061 ( -0.901 0.964 -0.475) 1.402 3.094 ( -0.378 -0.378 -0.600) 0.804 3.355 ( -0.300 0.449 -0.146) 0.559 3.381 ( -1.766 -0.541 -0.914) 2.061 3.528 ( 1.479 0.895 -5.138) 5.421 3.564 ( 2.418 -0.583 -4.140) 4.829 5.300 ( -0.367 0.576 0.112) 0.692 5.330 ( -0.113 -0.644 0.209) 0.687 5.373 ( 0.353 0.104 -0.428) 0.564 5.377 ( 0.574 -0.016 -0.517) 0.773 6.721 ( -2.704 0.432 9.393) 9.784 6.747 ( -4.355 -0.621 6.665) 7.986 6.930 ( -0.430 0.113 -0.386) 0.589 6.935 ( -0.074 -0.143 -0.222) 0.274 6.953 ( -1.071 0.997 2.750) 3.115 7.040 ( -5.476 -3.050 4.660) 7.811 7.265 ( -0.151 3.331 -2.139) 3.962 7.388 ( 1.669 -2.067 -1.014) 2.844 7.802 ( -0.209 0.190 -0.982) 1.022 7.812 ( 0.838 -0.041 -1.125) 1.403 7.874 ( -0.980 0.631 -1.917) 2.244 7.911 ( 1.521 -0.738 -3.130) 3.557 8.063 ( 0.159 0.427 0.930) 1.036 8.091 ( -0.036 -0.851 0.834) 1.192 8.109 ( -0.411 0.056 -0.221) 0.470 8.119 ( -0.166 -0.336 0.147) 0.403 ======================= Grid point 79 (43/87) ======================= q-point: ( 0.29 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.441 ( -2.886 2.154 0.138) 3.604 0.550 ( -1.119 -1.635 -3.255) 3.811 0.640 ( 3.443 1.860 -3.289) 5.112 0.757 ( 3.901 -1.765 1.468) 4.526 0.833 ( -0.002 -2.358 -0.097) 2.360 0.848 ( 0.169 -1.314 2.088) 2.473 0.986 ( -1.917 -0.089 -0.033) 1.920 1.005 ( -1.575 -0.852 5.394) 5.683 1.046 ( 1.244 1.660 4.659) 5.100 1.126 ( 1.772 3.485 3.208) 5.057 1.144 ( -3.830 -2.145 3.757) 5.778 1.190 ( -1.426 1.292 1.337) 2.343 1.250 ( -3.994 -1.348 6.560) 7.797 1.337 ( -1.498 1.211 3.500) 3.995 1.384 ( -4.231 -0.524 3.108) 5.276 1.513 ( 2.228 0.314 0.331) 2.274 1.537 ( -1.870 -3.244 0.901) 3.852 1.574 ( -2.540 1.498 -0.234) 2.958 1.671 ( -3.761 2.150 -1.227) 4.503 1.716 ( -0.274 -0.150 -2.929) 2.946 1.780 ( 1.054 -3.201 -2.048) 3.943 1.812 ( 2.454 -4.095 -0.785) 4.838 1.964 ( 2.165 4.802 -0.296) 5.276 2.049 ( -0.594 0.630 0.644) 1.079 2.092 ( 2.089 2.025 -2.486) 3.827 2.184 ( 4.319 -2.015 -5.178) 7.037 2.495 ( 1.255 1.136 -4.572) 4.875 2.538 ( 1.123 -0.701 -4.635) 4.820 2.715 ( -1.110 0.154 2.306) 2.564 2.724 ( -0.540 -0.011 2.917) 2.967 2.749 ( -0.425 0.323 2.285) 2.347 2.756 ( -0.545 -0.039 2.438) 2.498 2.906 ( -1.784 0.071 3.588) 4.007 2.923 ( -0.321 -0.654 3.517) 3.592 3.041 ( -0.945 1.024 0.032) 1.394 3.080 ( -0.716 -0.656 -0.489) 1.088 3.344 ( -0.871 0.096 -0.218) 0.903 3.360 ( 0.158 -0.582 -0.131) 0.617 3.528 ( 1.281 1.414 -4.981) 5.334 3.582 ( 1.772 -0.855 -4.182) 4.622 5.298 ( 0.027 0.576 0.163) 0.599 5.328 ( -0.132 -0.655 0.016) 0.668 5.376 ( 0.226 0.244 -0.500) 0.601 5.386 ( 0.531 -0.165 -0.436) 0.707 6.708 ( -3.762 0.328 8.583) 9.377 6.726 ( -2.010 -0.377 9.937) 10.145 6.920 ( -0.357 0.273 -0.547) 0.708 6.932 ( 0.053 -0.216 -0.698) 0.732 6.952 ( -0.773 0.469 3.249) 3.373 6.986 ( -2.820 -0.974 3.929) 4.934 7.265 ( 0.894 3.355 -1.462) 3.768 7.417 ( 1.510 -2.934 -0.505) 3.338 7.790 ( -0.384 0.444 -0.875) 1.053 7.814 ( -0.025 -0.479 -1.282) 1.369 7.848 ( -0.432 1.491 -2.136) 2.640 7.916 ( 0.882 -1.197 -3.141) 3.475 8.068 ( -0.083 0.383 0.822) 0.910 8.089 ( -0.403 -0.574 0.040) 0.703 8.099 ( -0.436 0.136 -0.133) 0.476 8.120 ( 0.075 -0.497 0.409) 0.647 ======================= Grid point 80 (44/87) ======================= q-point: (-0.57 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.348 ( -5.198 3.721 -4.463) 7.796 0.513 ( -0.386 -3.284 -3.427) 4.762 0.644 ( -0.628 2.979 -4.345) 5.305 0.776 ( -3.257 -0.035 0.257) 3.267 0.828 ( 0.848 -2.483 -2.108) 3.366 0.875 ( 0.133 -0.702 3.848) 3.914 0.968 ( -0.213 0.577 1.820) 1.921 0.997 ( -1.723 -2.306 7.028) 7.595 1.063 ( -5.150 -2.198 3.753) 6.741 1.098 ( 1.056 -0.218 2.502) 2.725 1.153 ( -0.197 0.294 3.734) 3.750 1.211 ( 0.254 2.670 1.269) 2.967 1.221 ( -1.897 -0.746 5.463) 5.831 1.309 ( -3.951 0.786 2.502) 4.742 1.364 ( 1.683 3.240 4.102) 5.492 1.476 ( -4.445 -0.281 1.912) 4.847 1.544 ( -0.829 2.311 -0.666) 2.544 1.575 ( 2.208 0.639 0.214) 2.308 1.610 ( -1.196 -0.820 0.692) 1.607 1.682 ( -0.599 -2.324 -3.488) 4.233 1.783 ( 0.534 -3.367 -2.987) 4.533 1.848 ( 1.930 -4.680 -2.081) 5.473 1.994 ( 0.589 3.751 0.334) 3.812 2.034 ( -1.509 1.404 0.746) 2.192 2.116 ( 2.041 2.498 -3.331) 4.637 2.222 ( 2.437 -1.789 -4.917) 5.772 2.503 ( 1.978 1.022 -4.416) 4.945 2.545 ( 2.244 -0.720 -4.876) 5.416 2.705 ( -1.179 -0.590 2.515) 2.840 2.716 ( -1.430 -0.785 3.069) 3.475 2.762 ( -0.208 1.100 3.030) 3.230 2.769 ( 0.762 1.022 1.652) 2.087 2.892 ( -1.527 0.411 3.861) 4.172 2.931 ( -0.809 -1.153 3.292) 3.581 3.029 ( -0.298 0.967 0.276) 1.049 3.066 ( -0.430 -0.641 -0.599) 0.977 3.334 ( -0.010 0.433 -0.267) 0.509 3.374 ( 1.077 -1.298 0.487) 1.756 3.525 ( 1.161 1.723 -4.771) 5.204 3.586 ( 0.981 -0.880 -4.365) 4.559 5.301 ( 0.187 0.439 0.310) 0.569 5.327 ( 0.040 -0.601 0.001) 0.602 5.376 ( 0.122 0.346 -0.668) 0.762 5.390 ( 0.190 -0.198 -0.511) 0.580 6.694 ( -2.660 1.059 8.979) 9.424 6.750 ( -0.927 -1.185 9.720) 9.836 6.914 ( 0.078 0.269 -0.408) 0.494 6.931 ( 0.203 -0.398 -0.531) 0.694 6.960 ( -0.531 0.202 4.487) 4.523 6.968 ( -1.181 -0.128 3.608) 3.799 7.277 ( 0.940 3.223 -1.133) 3.544 7.429 ( 0.081 -2.986 -1.069) 3.172 7.784 ( 0.265 0.491 -0.695) 0.891 7.810 ( 0.573 -0.539 -0.737) 1.078 7.833 ( -0.023 1.594 -2.518) 2.981 7.912 ( 0.489 -1.514 -3.349) 3.708 8.068 ( -0.305 0.013 0.544) 0.624 8.080 ( -0.480 -0.474 -0.137) 0.689 8.094 ( -0.141 0.628 0.270) 0.698 8.125 ( 0.230 -0.450 0.322) 0.600 ======================= Grid point 81 (45/87) ======================= q-point: (-0.43 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.243 ( -0.838 6.782 -7.898) 10.444 0.518 ( 2.539 -5.032 -2.636) 6.222 0.585 ( -3.355 2.809 -1.408) 4.596 0.696 ( -4.408 -0.374 -1.389) 4.637 0.794 ( -2.857 1.198 -0.568) 3.149 0.884 ( -4.570 0.450 1.717) 4.902 0.933 ( -1.414 -2.959 4.319) 5.423 1.010 ( -1.733 -1.784 0.830) 2.622 1.033 ( -0.432 1.162 9.179) 9.262 1.129 ( 1.074 -0.550 2.076) 2.401 1.165 ( -2.572 0.189 5.546) 6.117 1.214 ( -1.041 -0.177 3.858) 4.000 1.222 ( 0.733 0.227 1.095) 1.337 1.272 ( -0.567 0.073 4.632) 4.668 1.368 ( -4.434 3.264 3.387) 6.464 1.475 ( 4.353 1.953 1.570) 5.023 1.523 ( -0.873 3.120 -0.967) 3.381 1.582 ( -0.878 -1.058 0.687) 1.537 1.618 ( 0.512 -0.625 0.413) 0.907 1.695 ( 3.259 -1.738 -3.945) 5.404 1.777 ( 0.977 -4.884 -2.942) 5.785 1.863 ( 1.037 -4.598 -2.594) 5.380 1.979 ( -2.071 2.526 -0.734) 3.348 2.007 ( -1.675 0.962 0.989) 2.170 2.130 ( 1.061 3.079 -3.487) 4.771 2.225 ( 0.500 -1.077 -4.234) 4.397 2.518 ( 2.100 1.062 -4.696) 5.252 2.568 ( 2.833 -1.011 -5.014) 5.848 2.700 ( -0.735 -0.741 2.668) 2.865 2.706 ( -1.381 -0.990 3.263) 3.679 2.774 ( -0.122 1.570 2.692) 3.118 2.789 ( 0.395 1.031 1.388) 1.773 2.890 ( -1.022 0.454 4.173) 4.320 2.926 ( -1.481 -1.124 3.298) 3.786 3.034 ( 0.703 0.831 0.112) 1.094 3.061 ( 0.379 -0.420 -0.873) 1.040 3.340 ( 0.653 0.842 -0.271) 1.099 3.402 ( 1.542 -1.977 0.390) 2.537 3.523 ( 1.213 1.755 -4.503) 4.983 3.575 ( 0.437 -0.623 -4.640) 4.702 5.307 ( 0.230 0.323 0.457) 0.605 5.329 ( 0.084 -0.570 0.156) 0.597 5.373 ( -0.048 0.397 -0.809) 0.903 5.388 ( -0.095 -0.166 -0.641) 0.669 6.699 ( -1.839 1.662 8.837) 9.178 6.787 ( -0.130 -1.821 7.254) 7.480 6.918 ( 0.475 0.159 -0.146) 0.522 6.933 ( 0.019 -0.557 0.328) 0.646 6.964 ( -0.656 0.756 3.148) 3.303 7.003 ( 1.496 -1.191 8.079) 8.302 7.287 ( 0.796 2.950 -1.080) 3.241 7.412 ( -0.855 -2.189 -2.014) 3.094 7.794 ( 1.025 0.687 -0.556) 1.353 7.818 ( -0.136 1.323 -2.580) 2.902 7.830 ( 1.750 -0.768 -0.375) 1.948 7.897 ( -0.223 -1.824 -3.879) 4.292 8.064 ( -0.518 -0.237 0.354) 0.671 8.069 ( -0.499 -0.462 0.057) 0.682 8.096 ( 0.118 1.056 0.578) 1.210 8.131 ( 0.271 -0.357 0.110) 0.461 ======================= Grid point 82 (46/87) ======================= q-point: (-0.29 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.271 ( 6.411 9.211 -5.213) 12.374 0.503 ( -3.298 1.242 0.017) 3.524 0.570 ( 0.339 -0.268 -1.796) 1.847 0.634 ( -0.184 -1.568 1.844) 2.428 0.721 ( -5.699 1.308 0.772) 5.898 0.772 ( -5.241 -3.721 4.644) 7.930 0.950 ( -1.466 0.436 1.562) 2.186 0.985 ( -0.194 -1.686 1.331) 2.157 1.065 ( -1.206 2.954 7.593) 8.236 1.114 ( -2.691 -0.182 3.859) 4.708 1.155 ( -0.404 0.106 2.916) 2.946 1.223 ( -1.332 0.268 6.118) 6.267 1.264 ( 2.163 -0.641 0.674) 2.355 1.299 ( -1.290 1.330 10.895) 11.051 1.359 ( 3.210 0.580 -0.961) 3.401 1.511 ( 0.089 -1.428 1.056) 1.778 1.525 ( -0.584 0.455 -1.141) 1.360 1.606 ( 3.792 2.782 -0.653) 4.748 1.624 ( -0.057 -1.215 1.223) 1.725 1.714 ( 1.591 1.316 -5.422) 5.802 1.802 ( 1.917 -4.929 -0.933) 5.371 1.866 ( 0.783 -3.738 -2.601) 4.621 1.928 ( -2.217 1.165 -0.581) 2.571 1.974 ( -1.835 -0.672 -0.494) 2.015 2.116 ( -0.431 3.433 -3.789) 5.131 2.202 ( -0.799 -0.642 -3.262) 3.419 2.531 ( 1.914 1.200 -5.026) 5.510 2.592 ( 2.250 -1.261 -5.115) 5.728 2.696 ( -1.448 -0.442 3.023) 3.381 2.704 ( -0.292 -0.729 2.522) 2.641 2.781 ( -0.744 1.029 2.580) 2.876 2.799 ( 0.118 0.643 1.071) 1.254 2.891 ( -1.225 0.470 3.936) 4.149 2.913 ( -1.756 -0.508 3.974) 4.374 3.055 ( 1.435 0.753 -0.433) 1.677 3.070 ( 1.040 -0.038 -1.120) 1.529 3.352 ( 0.787 1.232 -0.439) 1.526 3.431 ( 1.383 -2.360 -0.481) 2.777 3.524 ( 1.206 1.379 -4.221) 4.602 3.556 ( 0.285 -0.269 -4.891) 4.906 5.314 ( 0.193 0.183 0.528) 0.591 5.330 ( -0.151 -0.465 0.291) 0.569 5.367 ( -0.090 0.393 -0.829) 0.922 5.381 ( -0.183 -0.157 -0.655) 0.698 6.714 ( -1.518 2.000 8.463) 8.828 6.811 ( -0.472 -1.658 3.725) 4.105 6.928 ( 0.551 0.097 -0.144) 0.578 6.936 ( -0.189 -0.431 1.163) 1.255 6.969 ( -0.533 1.446 2.840) 3.231 7.104 ( 3.245 -5.664 10.422) 12.297 7.304 ( 1.929 2.781 -0.556) 3.430 7.386 ( -0.494 -1.142 -2.486) 2.780 7.799 ( -0.245 0.770 -2.129) 2.277 7.817 ( 1.413 1.153 -0.716) 1.960 7.859 ( -1.185 -1.479 -3.945) 4.376 7.866 ( 1.760 -0.928 -1.220) 2.334 8.051 ( -0.762 0.107 0.304) 0.827 8.067 ( -0.119 -0.655 0.849) 1.079 8.102 ( 0.136 1.088 0.611) 1.255 8.135 ( 0.123 -0.343 -0.124) 0.385 ======================= Grid point 83 (47/87) ======================= q-point: (-0.14 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.363 ( 3.666 7.595 -1.849) 8.634 0.446 ( -2.842 6.233 3.905) 7.886 0.544 ( -0.767 0.522 0.621) 1.117 0.639 ( -2.305 -2.535 2.028) 3.982 0.692 ( 2.538 -2.117 4.696) 5.743 0.741 ( -0.954 -3.874 3.234) 5.136 0.912 ( -2.132 1.578 3.648) 4.510 0.998 ( -0.262 0.804 -0.641) 1.061 1.066 ( -0.615 0.046 3.115) 3.175 1.132 ( 0.744 0.687 5.652) 5.742 1.166 ( -0.142 -0.178 5.352) 5.357 1.231 ( -0.985 0.196 5.417) 5.510 1.283 ( -0.677 0.238 2.489) 2.590 1.349 ( 0.669 1.353 7.604) 7.753 1.428 ( 3.689 -1.982 -0.301) 4.198 1.489 ( -1.390 -3.333 -1.323) 3.846 1.540 ( 1.769 -0.385 0.966) 2.052 1.603 ( -2.426 -2.685 1.486) 3.912 1.668 ( 2.177 3.299 -1.532) 4.239 1.735 ( 3.125 2.688 -3.546) 5.437 1.807 ( -0.677 1.138 -1.049) 1.689 1.848 ( -1.980 -2.654 0.858) 3.421 1.910 ( -0.305 -0.232 -1.491) 1.540 1.960 ( 2.334 -2.505 -2.658) 4.334 2.081 ( -0.666 2.689 -4.554) 5.330 2.162 ( -1.857 -0.966 -2.313) 3.119 2.534 ( 1.160 1.157 -5.145) 5.399 2.595 ( 0.844 -1.316 -5.035) 5.272 2.687 ( -1.001 0.376 2.807) 3.004 2.714 ( -0.036 -0.353 2.242) 2.270 2.772 ( -1.421 0.367 1.976) 2.461 2.801 ( -0.715 0.077 1.388) 1.564 2.889 ( -1.044 0.554 4.019) 4.189 2.907 ( -1.144 -0.231 4.431) 4.582 3.075 ( 0.905 0.701 -1.195) 1.655 3.086 ( 1.156 0.322 -0.876) 1.486 3.362 ( 0.443 1.452 -0.606) 1.635 3.443 ( 0.229 -2.134 -1.246) 2.481 3.525 ( 1.394 0.711 -4.380) 4.652 3.538 ( 0.623 -0.050 -4.950) 4.989 5.317 ( -0.265 0.119 0.376) 0.475 5.328 ( -0.117 -0.360 0.402) 0.552 5.363 ( 0.145 0.361 -0.770) 0.863 5.376 ( -0.055 -0.182 -0.530) 0.563 6.725 ( -1.969 1.836 8.259) 8.687 6.810 ( -1.240 -1.385 2.624) 3.216 6.935 ( 0.226 0.035 -0.108) 0.253 6.938 ( -0.236 -0.177 1.177) 1.213 6.970 ( -0.937 1.845 2.705) 3.406 7.172 ( -0.993 -7.570 5.202) 9.238 7.352 ( 1.178 -1.025 -0.759) 1.737 7.370 ( 0.505 -0.611 -2.237) 2.373 7.785 ( 0.150 0.465 -1.637) 1.709 7.811 ( -0.741 -0.567 -2.343) 2.522 7.846 ( 2.087 1.934 -1.231) 3.100 7.893 ( 1.331 -0.465 -1.475) 2.040 8.044 ( -0.246 0.458 0.977) 1.106 8.072 ( 0.103 -0.875 1.289) 1.561 8.108 ( 0.126 0.816 0.578) 1.008 8.134 ( -0.165 -0.370 -0.304) 0.506 ======================= Grid point 84 (48/87) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.490 ( 0.358 -5.196 -0.396) 5.223 0.490 ( 0.358 5.196 -0.396) 5.223 0.594 ( 0.402 -3.973 2.363) 4.640 0.594 ( 0.402 3.973 2.363) 4.640 0.719 ( 3.377 -2.570 4.103) 5.903 0.719 ( 3.377 2.570 4.103) 5.903 0.987 ( 0.004 -2.500 0.542) 2.559 0.987 ( 0.004 2.500 0.542) 2.559 1.094 ( 0.772 -5.349 1.980) 5.756 1.094 ( 0.772 5.349 1.980) 5.756 1.244 ( -1.810 -2.874 8.414) 9.074 1.244 ( -1.810 2.874 8.414) 9.074 1.286 ( -3.838 -4.522 2.845) 6.578 1.286 ( -3.838 4.522 2.845) 6.578 1.471 ( 2.714 -2.117 0.675) 3.508 1.471 ( 2.714 2.117 0.675) 3.508 1.546 ( -0.723 -1.180 1.338) 1.925 1.546 ( -0.723 1.180 1.338) 1.925 1.733 ( -1.111 -1.361 -0.409) 1.804 1.733 ( -1.111 1.361 -0.409) 1.804 1.813 ( -0.596 -2.624 -1.343) 3.007 1.813 ( -0.596 2.624 -1.343) 3.007 1.976 ( 4.934 -3.772 -2.662) 6.757 1.976 ( 4.934 3.772 -2.662) 6.757 2.079 ( -1.270 -1.542 -3.143) 3.724 2.079 ( -1.270 1.542 -3.143) 3.724 2.547 ( 0.190 -1.447 -4.675) 4.898 2.547 ( 0.190 1.447 -4.675) 4.898 2.712 ( -0.016 -1.239 2.595) 2.876 2.712 ( -0.016 1.239 2.595) 2.876 2.771 ( -1.602 -1.322 1.659) 2.658 2.771 ( -1.602 1.322 1.659) 2.658 2.904 ( -0.735 -0.526 4.039) 4.139 2.904 ( -0.735 0.526 4.039) 4.139 3.092 ( 0.115 -0.677 -1.159) 1.347 3.092 ( 0.115 0.677 -1.159) 1.347 3.391 ( -0.829 -1.692 -0.700) 2.010 3.391 ( -0.829 1.692 -0.700) 2.010 3.535 ( 1.750 -0.330 -4.671) 4.999 3.535 ( 1.750 0.330 -4.671) 4.999 5.318 ( -0.278 -0.570 0.302) 0.702 5.318 ( -0.278 0.570 0.302) 0.702 5.371 ( 0.326 -0.228 -0.591) 0.712 5.371 ( 0.326 0.228 -0.591) 0.712 6.757 ( -3.050 -1.873 6.807) 7.690 6.757 ( -3.050 1.873 6.807) 7.690 6.937 ( -0.118 -0.047 0.094) 0.159 6.937 ( -0.118 0.047 0.094) 0.159 7.017 ( -3.036 -4.309 4.946) 7.228 7.017 ( -3.036 4.309 4.946) 7.228 7.343 ( -0.222 -1.858 -2.594) 3.199 7.343 ( -0.222 1.858 -2.594) 3.199 7.800 ( 0.930 -0.236 -1.076) 1.442 7.800 ( 0.930 0.236 -1.076) 1.442 7.894 ( 0.936 -0.342 -2.254) 2.465 7.894 ( 0.936 0.342 -2.254) 2.465 8.065 ( 0.258 -0.824 1.287) 1.549 8.065 ( 0.258 0.824 1.287) 1.549 8.119 ( -0.303 -0.386 -0.010) 0.490 8.119 ( -0.303 0.386 -0.010) 0.490 ======================= Grid point 86 (49/87) ======================= q-point: ( 0.14 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.506 ( 0.981 -4.021 -0.229) 4.145 0.506 ( 0.981 4.021 -0.229) 4.145 0.632 ( 2.393 -3.788 1.642) 4.772 0.632 ( 2.393 3.788 1.642) 4.772 0.800 ( 2.269 -1.940 3.612) 4.686 0.800 ( 2.269 1.940 3.612) 4.686 0.974 ( -0.020 -1.827 -1.782) 2.552 0.974 ( -0.020 1.827 -1.782) 2.552 1.129 ( -0.203 -4.937 3.092) 5.828 1.129 ( -0.203 4.937 3.092) 5.828 1.213 ( -3.361 -5.505 4.844) 8.066 1.213 ( -3.361 5.505 4.844) 8.066 1.252 ( -2.155 -2.495 5.470) 6.387 1.252 ( -2.155 2.495 5.470) 6.387 1.493 ( -2.372 -3.071 1.979) 4.356 1.493 ( -2.372 3.071 1.979) 4.356 1.552 ( 1.615 -4.512 -0.149) 4.794 1.552 ( 1.615 4.512 -0.149) 4.794 1.718 ( 0.468 -1.980 -1.364) 2.450 1.718 ( 0.468 1.980 -1.364) 2.450 1.785 ( -2.208 -0.586 -0.795) 2.419 1.785 ( -2.208 0.586 -0.795) 2.419 2.019 ( 0.970 -3.787 -0.851) 4.001 2.019 ( 0.970 3.787 -0.851) 4.001 2.087 ( 3.765 -1.447 -3.797) 5.539 2.087 ( 3.765 1.447 -3.797) 5.539 2.528 ( 0.395 -1.262 -4.509) 4.699 2.528 ( 0.395 1.262 -4.509) 4.699 2.725 ( -0.194 -1.188 2.837) 3.082 2.725 ( -0.194 1.188 2.837) 3.082 2.750 ( -1.279 -1.276 1.595) 2.410 2.750 ( -1.279 1.276 1.595) 2.410 2.910 ( -0.866 -0.275 3.856) 3.962 2.910 ( -0.866 0.275 3.856) 3.962 3.081 ( -0.714 -0.950 -0.637) 1.348 3.081 ( -0.714 0.950 -0.637) 1.348 3.367 ( -1.135 -0.723 -0.511) 1.439 3.367 ( -1.135 0.723 -0.511) 1.439 3.548 ( 2.029 -0.973 -4.670) 5.184 3.548 ( 2.029 0.973 -4.670) 5.184 5.315 ( -0.228 -0.841 0.159) 0.886 5.315 ( -0.228 0.841 0.159) 0.886 5.375 ( 0.461 -0.089 -0.501) 0.687 5.375 ( 0.461 0.089 -0.501) 0.687 6.733 ( -3.578 -0.744 8.374) 9.137 6.733 ( -3.578 0.744 8.374) 9.137 6.933 ( -0.213 -0.119 -0.321) 0.403 6.933 ( -0.213 0.119 -0.321) 0.403 6.985 ( -2.576 -2.304 3.973) 5.266 6.985 ( -2.576 2.304 3.973) 5.266 7.333 ( 0.601 -3.359 -1.808) 3.862 7.333 ( 0.601 3.359 -1.808) 3.862 7.808 ( 0.349 -0.340 -1.017) 1.128 7.808 ( 0.349 0.340 -1.017) 1.128 7.892 ( 0.292 -1.078 -2.532) 2.767 7.892 ( 0.292 1.078 -2.532) 2.767 8.075 ( 0.098 -0.732 0.953) 1.206 8.075 ( 0.098 0.732 0.953) 1.206 8.112 ( -0.349 -0.277 -0.032) 0.447 8.112 ( -0.349 0.277 -0.032) 0.447 ======================= Grid point 88 (50/87) ======================= q-point: ( 0.29 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.499 ( -1.612 -3.310 -1.731) 4.069 0.499 ( -1.612 3.310 -1.731) 4.069 0.696 ( 3.690 -3.704 -0.847) 5.297 0.696 ( 3.690 3.704 -0.847) 5.297 0.823 ( -0.893 -1.566 2.966) 3.471 0.823 ( -0.893 1.566 2.966) 3.471 0.986 ( 0.371 -0.406 0.765) 0.943 0.986 ( 0.371 0.406 0.765) 0.943 1.088 ( -3.517 -2.616 3.557) 5.645 1.088 ( -3.517 2.616 3.557) 5.645 1.203 ( -2.012 -3.224 3.434) 5.122 1.203 ( -2.012 3.224 3.434) 5.122 1.266 ( 0.993 -5.325 4.845) 7.268 1.266 ( 0.993 5.325 4.845) 7.268 1.438 ( -3.296 -4.333 1.854) 5.751 1.438 ( -3.296 4.333 1.854) 5.751 1.575 ( 0.685 -2.710 0.058) 2.796 1.575 ( 0.685 2.710 0.058) 2.796 1.709 ( -2.783 -1.063 -3.265) 4.420 1.709 ( -2.783 1.063 -3.265) 4.420 1.747 ( 0.989 -1.405 -0.421) 1.769 1.747 ( 0.989 1.405 -0.421) 1.769 2.037 ( 0.723 -2.216 0.670) 2.425 2.037 ( 0.723 2.216 0.670) 2.425 2.137 ( 3.491 -2.466 -4.213) 6.002 2.137 ( 3.491 2.466 -4.213) 6.002 2.519 ( 1.199 -1.188 -4.523) 4.828 2.519 ( 1.199 1.188 -4.523) 4.828 2.720 ( -1.635 -0.318 2.533) 3.031 2.720 ( -1.635 0.318 2.533) 3.031 2.754 ( 0.462 -0.207 2.212) 2.269 2.754 ( 0.462 0.207 2.212) 2.269 2.911 ( -1.141 -0.489 3.689) 3.892 2.911 ( -1.141 0.489 3.689) 3.892 3.063 ( -0.877 -1.077 -0.210) 1.404 3.063 ( -0.877 1.077 -0.210) 1.404 3.349 ( -0.462 -0.428 -0.261) 0.682 3.349 ( -0.462 0.428 -0.261) 0.682 3.558 ( 1.596 -1.494 -4.551) 5.049 3.558 ( 1.596 1.494 -4.551) 5.049 5.312 ( -0.068 -0.853 0.078) 0.859 5.312 ( -0.068 0.853 0.078) 0.859 5.381 ( 0.391 -0.277 -0.475) 0.675 5.381 ( 0.391 0.277 -0.475) 0.675 6.717 ( -2.883 -0.500 9.316) 9.765 6.717 ( -2.883 0.500 9.316) 9.765 6.926 ( -0.182 -0.363 -0.580) 0.708 6.926 ( -0.182 0.363 -0.580) 0.708 6.966 ( -1.561 -0.977 3.642) 4.081 6.966 ( -1.561 0.977 3.642) 4.081 7.344 ( 1.076 -4.250 -1.104) 4.521 7.344 ( 1.076 4.250 -1.104) 4.521 7.802 ( -0.269 -0.666 -0.989) 1.223 7.802 ( -0.269 0.666 -0.989) 1.223 7.884 ( 0.321 -1.945 -2.773) 3.402 7.884 ( 0.321 1.945 -2.773) 3.402 8.077 ( -0.273 -0.508 0.473) 0.746 8.077 ( -0.273 0.508 0.473) 0.746 8.108 ( -0.098 -0.649 0.187) 0.683 8.108 ( -0.098 0.649 0.187) 0.683 ======================= Grid point 90 (51/87) ======================= q-point: (-0.57 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.434 ( -2.926 -4.563 -3.984) 6.728 0.434 ( -2.926 4.563 -3.984) 6.728 0.719 ( -0.776 -4.364 -4.209) 6.112 0.719 ( -0.776 4.364 -4.209) 6.112 0.844 ( 1.342 -2.743 4.775) 5.668 0.844 ( 1.342 2.743 4.775) 5.668 0.961 ( -3.322 -0.813 3.530) 4.915 0.961 ( -3.322 0.813 3.530) 4.915 1.071 ( -1.009 -1.761 3.451) 4.004 1.071 ( -1.009 1.761 3.451) 4.004 1.188 ( -1.610 -2.350 5.486) 6.181 1.188 ( -1.610 2.350 5.486) 6.181 1.280 ( -1.542 -3.289 0.596) 3.681 1.280 ( -1.542 3.289 0.596) 3.681 1.431 ( 1.279 -3.488 2.606) 4.538 1.431 ( 1.279 3.488 2.606) 4.538 1.585 ( 0.320 -0.773 0.240) 0.870 1.585 ( 0.320 0.773 0.240) 0.870 1.629 ( -3.407 -2.534 -1.165) 4.403 1.629 ( -3.407 2.534 -1.165) 4.403 1.769 ( 1.839 -2.269 -3.697) 4.711 1.769 ( 1.839 2.269 -3.697) 4.711 2.040 ( -1.010 -0.970 1.008) 1.726 2.040 ( -1.010 0.970 1.008) 1.726 2.174 ( 2.625 -2.978 -4.106) 5.711 2.174 ( 2.625 2.978 -4.106) 5.711 2.526 ( 2.026 -1.169 -4.670) 5.222 2.526 ( 2.026 1.169 -4.670) 5.222 2.703 ( -1.506 -0.382 2.815) 3.215 2.703 ( -1.506 0.382 2.815) 3.215 2.777 ( 0.649 -0.263 2.121) 2.233 2.777 ( 0.649 0.263 2.121) 2.233 2.907 ( -1.244 -1.082 3.705) 4.055 2.907 ( -1.244 1.082 3.705) 4.055 3.049 ( -0.378 -0.980 -0.117) 1.057 3.049 ( -0.378 0.980 -0.117) 1.057 3.349 ( 0.476 -1.087 -0.009) 1.187 3.349 ( 0.476 1.087 -0.009) 1.187 3.560 ( 1.123 -1.649 -4.451) 4.878 3.560 ( 1.123 1.649 -4.451) 4.878 5.313 ( 0.082 -0.716 0.154) 0.737 5.313 ( 0.082 0.716 0.154) 0.737 5.384 ( 0.189 -0.398 -0.595) 0.741 5.384 ( 0.189 0.398 -0.595) 0.741 6.721 ( -1.864 -1.568 9.416) 9.726 6.721 ( -1.864 1.568 9.416) 9.726 6.922 ( 0.005 -0.499 -0.305) 0.585 6.922 ( 0.005 0.499 -0.305) 0.585 6.964 ( -0.712 -0.232 3.875) 3.947 6.964 ( -0.712 0.232 3.875) 3.947 7.355 ( 0.575 -4.298 -1.107) 4.475 7.355 ( 0.575 4.298 -1.107) 4.475 7.797 ( 0.396 -0.741 -0.711) 1.100 7.797 ( 0.396 0.741 -0.711) 1.100 7.873 ( 0.122 -2.266 -3.073) 3.820 7.873 ( 0.122 2.266 -3.073) 3.820 8.071 ( -0.485 -0.300 0.199) 0.604 8.071 ( -0.485 0.300 0.199) 0.604 8.111 ( 0.211 -0.934 0.380) 1.030 8.111 ( 0.211 0.934 0.380) 1.030 ======================= Grid point 92 (52/87) ======================= q-point: (-0.43 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.390 ( 1.442 -7.586 -4.218) 8.799 0.390 ( 1.442 7.586 -4.218) 8.799 0.652 ( -3.454 -3.529 -2.499) 5.535 0.652 ( -3.454 3.529 -2.499) 5.535 0.845 ( -5.129 -3.524 2.979) 6.899 0.845 ( -5.129 3.524 2.979) 6.899 0.944 ( 0.562 -3.302 2.863) 4.406 0.944 ( 0.562 3.302 2.863) 4.406 1.091 ( 0.993 -3.114 4.100) 5.243 1.091 ( 0.993 3.114 4.100) 5.243 1.176 ( -3.264 -1.666 5.872) 6.921 1.176 ( -3.264 1.666 5.872) 6.921 1.264 ( 0.412 -1.652 1.329) 2.160 1.264 ( 0.412 1.652 1.329) 2.160 1.446 ( -2.351 -4.077 3.490) 5.859 1.446 ( -2.351 4.077 3.490) 5.859 1.591 ( -0.386 -2.674 -0.017) 2.701 1.591 ( -0.386 2.674 -0.017) 2.701 1.613 ( 3.408 -4.597 -1.063) 5.820 1.613 ( 3.408 4.597 -1.063) 5.820 1.775 ( 1.416 -3.548 -4.966) 6.265 1.775 ( 1.416 3.548 -4.966) 6.265 2.009 ( -2.560 -0.696 0.321) 2.672 2.009 ( -2.560 0.696 0.321) 2.672 2.189 ( 1.064 -2.581 -3.553) 4.518 2.189 ( 1.064 2.581 -3.553) 4.518 2.543 ( 2.414 -1.405 -4.895) 5.636 2.543 ( 2.414 1.405 -4.895) 5.636 2.694 ( -1.074 -0.218 3.113) 3.301 2.694 ( -1.074 0.218 3.113) 3.301 2.796 ( 0.167 -0.449 1.700) 1.767 2.796 ( 0.167 0.449 1.700) 1.767 2.904 ( -1.213 -0.987 3.967) 4.265 2.904 ( -1.213 0.987 3.967) 4.265 3.050 ( 0.613 -0.701 -0.401) 1.014 3.050 ( 0.613 0.701 -0.401) 1.014 3.365 ( 1.078 -1.681 0.011) 1.997 3.365 ( 1.078 1.681 0.011) 1.997 3.555 ( 0.833 -1.373 -4.454) 4.734 3.555 ( 0.833 1.373 -4.454) 4.734 5.317 ( 0.134 -0.606 0.315) 0.696 5.317 ( 0.134 0.606 0.315) 0.696 5.382 ( -0.053 -0.431 -0.738) 0.856 5.382 ( -0.053 0.431 -0.738) 0.856 6.742 ( -1.059 -2.505 8.579) 8.999 6.742 ( -1.059 2.505 8.579) 8.999 6.924 ( 0.183 -0.397 0.244) 0.500 6.924 ( 0.183 0.397 0.244) 0.500 6.980 ( 0.011 -1.001 4.926) 5.026 6.980 ( 0.011 1.001 4.926) 5.026 7.354 ( 0.205 -3.500 -1.503) 3.814 7.354 ( 0.205 3.500 -1.503) 3.814 7.812 ( 1.420 -1.038 -0.459) 1.818 7.812 ( 1.420 1.038 -0.459) 1.818 7.855 ( -0.349 -2.226 -3.329) 4.020 7.855 ( -0.349 2.226 -3.329) 4.020 8.063 ( -0.508 -0.152 0.297) 0.608 8.063 ( -0.508 0.152 0.297) 0.608 8.118 ( 0.264 -0.990 0.299) 1.067 8.118 ( 0.264 0.990 0.299) 1.067 ======================= Grid point 94 (53/87) ======================= q-point: (-0.29 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.442 ( 5.049 -7.229 -3.443) 9.466 0.442 ( 5.049 7.229 -3.443) 9.466 0.593 ( -1.509 -2.279 0.460) 2.772 0.593 ( -1.509 2.279 0.460) 2.772 0.734 ( -7.290 -0.947 3.376) 8.090 0.734 ( -7.290 0.947 3.376) 8.090 0.962 ( -0.133 -0.809 1.001) 1.294 0.962 ( -0.133 0.809 1.001) 1.294 1.102 ( -2.190 -1.104 4.461) 5.091 1.102 ( -2.190 1.104 4.461) 5.091 1.181 ( 1.369 -2.819 3.318) 4.564 1.181 ( 1.369 2.819 3.318) 4.564 1.296 ( -0.022 -2.194 7.372) 7.691 1.296 ( -0.022 2.194 7.372) 7.691 1.417 ( -1.177 -4.774 1.552) 5.156 1.417 ( -1.177 4.774 1.552) 5.156 1.574 ( -1.259 -2.887 0.195) 3.156 1.574 ( -1.259 2.887 0.195) 3.156 1.697 ( 4.590 -5.234 -0.503) 6.980 1.697 ( 4.590 5.234 -0.503) 6.980 1.780 ( 2.424 -4.542 -5.496) 7.531 1.780 ( 2.424 4.542 -5.496) 7.531 1.953 ( -3.120 -1.263 -0.302) 3.379 1.953 ( -3.120 1.263 -0.302) 3.379 2.175 ( -0.678 -2.216 -3.335) 4.061 2.175 ( -0.678 2.216 -3.335) 4.061 2.561 ( 2.052 -1.699 -5.074) 5.731 2.561 ( 2.052 1.699 -5.074) 5.731 2.694 ( -0.700 -0.251 3.028) 3.118 2.694 ( -0.700 0.251 3.028) 3.118 2.800 ( -0.593 -0.590 1.513) 1.729 2.800 ( -0.593 0.590 1.513) 1.729 2.902 ( -1.324 -0.584 4.178) 4.422 2.902 ( -1.324 0.584 4.178) 4.422 3.067 ( 1.417 -0.366 -0.944) 1.742 3.067 ( 1.417 0.366 -0.944) 1.742 3.385 ( 1.116 -2.101 -0.305) 2.399 3.385 ( 1.116 2.101 -0.305) 2.399 3.546 ( 0.644 -0.828 -4.515) 4.635 3.546 ( 0.644 0.828 -4.515) 4.635 5.320 ( 0.022 -0.428 0.409) 0.592 5.320 ( 0.022 0.428 0.409) 0.592 5.376 ( -0.150 -0.414 -0.745) 0.865 5.376 ( -0.150 0.414 -0.745) 0.865 6.764 ( -1.028 -2.833 6.874) 7.506 6.764 ( -1.028 2.833 6.874) 7.506 6.930 ( 0.243 -0.147 0.515) 0.589 6.930 ( 0.243 0.147 0.515) 0.589 7.013 ( 0.048 -3.335 6.377) 7.197 7.013 ( 0.048 3.335 6.377) 7.197 7.353 ( 0.675 -2.167 -1.802) 2.898 7.353 ( 0.675 2.167 -1.802) 2.898 7.823 ( -0.837 -1.497 -2.620) 3.132 7.823 ( -0.837 1.497 -2.620) 3.132 7.844 ( 2.019 -1.118 -1.262) 2.630 7.844 ( 2.019 1.118 -1.262) 2.630 8.056 ( -0.404 -0.403 0.654) 0.868 8.056 ( -0.404 0.403 0.654) 0.868 8.122 ( 0.111 -0.920 0.145) 0.938 8.122 ( 0.111 0.920 0.145) 0.938 ======================= Grid point 96 (54/87) ======================= q-point: (-0.14 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.490 ( 1.417 -4.224 -2.812) 5.269 0.490 ( 1.417 4.224 -2.812) 5.269 0.598 ( -1.367 -3.474 3.426) 5.067 0.598 ( -1.367 3.474 3.426) 5.067 0.655 ( -0.375 -2.205 3.177) 3.886 0.655 ( -0.375 2.205 3.177) 3.886 0.968 ( 0.242 -3.344 2.737) 4.328 0.968 ( 0.242 3.344 2.737) 4.328 1.090 ( -0.851 -2.390 1.746) 3.079 1.090 ( -0.851 2.390 1.746) 3.079 1.220 ( 0.089 -2.673 5.773) 6.362 1.220 ( 0.089 2.673 5.773) 6.362 1.320 ( -1.977 -4.118 6.814) 8.204 1.320 ( -1.977 4.118 6.814) 8.204 1.426 ( 1.478 -1.847 0.381) 2.396 1.426 ( 1.478 1.847 0.381) 2.396 1.554 ( -0.887 -1.761 0.565) 2.051 1.554 ( -0.887 1.761 0.565) 2.051 1.742 ( 0.673 -3.547 -0.599) 3.659 1.742 ( 0.673 3.547 -0.599) 3.659 1.819 ( 2.521 -1.876 -3.110) 4.421 1.819 ( 2.521 1.876 -3.110) 4.421 1.913 ( 0.910 -1.222 -1.671) 2.261 1.913 ( 0.910 1.222 -1.671) 2.261 2.132 ( -1.930 -2.181 -3.348) 4.437 2.132 ( -1.930 2.181 -3.348) 4.437 2.563 ( 0.944 -1.695 -4.972) 5.337 2.563 ( 0.944 1.695 -4.972) 5.337 2.700 ( -0.247 -0.854 2.707) 2.849 2.700 ( -0.247 0.854 2.707) 2.849 2.790 ( -1.300 -1.039 1.616) 2.320 2.790 ( -1.300 1.039 1.616) 2.320 2.899 ( -1.112 -0.511 4.155) 4.332 2.899 ( -1.112 0.511 4.155) 4.332 3.087 ( 1.149 -0.344 -1.323) 1.786 3.087 ( 1.149 0.344 -1.323) 1.786 3.399 ( 0.430 -2.226 -0.668) 2.364 3.399 ( 0.430 2.226 -0.668) 2.364 3.535 ( 0.851 -0.305 -4.588) 4.676 3.535 ( 0.851 0.305 -4.588) 4.676 5.321 ( -0.163 -0.299 0.386) 0.514 5.321 ( -0.163 0.299 0.386) 0.514 5.370 ( 0.025 -0.358 -0.653) 0.745 5.370 ( 0.025 0.358 -0.653) 0.745 6.771 ( -1.849 -2.489 5.967) 6.725 6.771 ( -1.849 2.489 5.967) 6.725 6.936 ( 0.072 -0.078 0.388) 0.403 6.936 ( 0.072 0.078 0.388) 0.403 7.034 ( -1.557 -5.194 6.175) 8.218 7.034 ( -1.557 5.194 6.175) 8.218 7.356 ( 0.479 -0.761 -2.324) 2.492 7.356 ( 0.479 0.761 -2.324) 2.492 7.798 ( -0.169 -0.756 -1.959) 2.107 7.798 ( -0.169 0.756 -1.959) 2.107 7.877 ( 1.938 -1.209 -1.598) 2.787 7.877 ( 1.938 1.209 -1.598) 2.787 8.056 ( -0.072 -0.741 1.142) 1.364 8.056 ( -0.072 0.741 1.142) 1.364 8.123 ( -0.117 -0.705 0.050) 0.716 8.123 ( -0.117 0.705 0.050) 0.716 ======================= Grid point 105 (55/87) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.445 ( 7.307 0.000 2.441) 7.704 0.481 ( 0.769 0.000 3.632) 3.712 0.584 ( -1.179 0.000 1.751) 2.111 0.729 ( 0.382 0.000 -5.837) 5.849 0.736 ( -2.475 0.000 6.346) 6.811 0.896 ( -0.396 0.000 -0.860) 0.947 0.974 ( 0.236 0.000 6.256) 6.261 0.979 ( 2.503 0.000 3.197) 4.060 1.085 ( -2.904 0.000 -0.157) 2.909 1.164 ( 1.856 0.000 -0.949) 2.084 1.241 ( -1.663 0.000 2.984) 3.417 1.339 ( -3.507 0.000 2.914) 4.560 1.348 ( 5.454 0.000 1.219) 5.589 1.440 ( 1.645 0.000 -2.788) 3.238 1.450 ( -2.565 0.000 -0.100) 2.567 1.530 ( 1.524 0.000 -1.638) 2.238 1.600 ( -2.223 0.000 2.345) 3.231 1.642 ( -0.478 0.000 2.782) 2.823 1.718 ( 1.055 0.000 3.068) 3.244 1.723 ( 1.053 0.000 3.842) 3.984 1.735 ( 1.577 0.000 -1.101) 1.923 1.825 ( -1.968 0.000 -4.926) 5.304 1.849 ( -4.986 0.000 1.795) 5.299 1.970 ( 4.470 0.000 -4.783) 6.547 2.017 ( -0.288 0.000 4.695) 4.704 2.171 ( -1.967 0.000 4.994) 5.368 2.374 ( 1.745 0.000 -8.930) 9.099 2.465 ( 1.013 0.000 -7.568) 7.636 2.724 ( -0.215 0.000 1.781) 1.794 2.744 ( -0.277 0.000 0.897) 0.939 2.792 ( 0.451 0.000 0.785) 0.905 2.809 ( -1.170 0.000 0.301) 1.208 2.981 ( -0.456 0.000 4.311) 4.335 3.001 ( -1.529 0.000 4.281) 4.546 3.054 ( 0.079 0.000 -0.323) 0.333 3.093 ( 0.369 0.000 -0.217) 0.428 3.338 ( 0.555 0.000 -0.316) 0.639 3.409 ( -1.994 0.000 -0.801) 2.149 3.422 ( 0.958 0.000 -4.852) 4.946 3.463 ( 2.730 0.000 -3.638) 4.548 5.313 ( -0.948 0.000 0.613) 1.129 5.344 ( -0.084 0.000 0.489) 0.496 5.347 ( 0.952 0.000 -0.937) 1.336 5.365 ( 0.087 0.000 -0.584) 0.590 6.849 ( -1.113 0.000 3.248) 3.433 6.857 ( -0.446 0.000 4.391) 4.414 6.920 ( 0.159 0.000 -1.114) 1.126 6.939 ( -0.645 0.000 -0.496) 0.814 7.018 ( -1.516 0.000 4.847) 5.078 7.184 ( 0.121 0.000 -3.057) 3.059 7.282 ( -7.728 0.000 0.832) 7.772 7.346 ( 2.846 0.000 -1.994) 3.475 7.782 ( 0.783 0.000 -0.337) 0.853 7.795 ( -0.089 0.000 -0.894) 0.898 7.843 ( 2.379 0.000 -0.840) 2.523 7.866 ( -0.659 0.000 -1.424) 1.569 8.070 ( 0.310 0.000 1.127) 1.169 8.108 ( -0.331 0.000 -0.627) 0.709 8.115 ( -0.113 0.000 0.759) 0.767 8.125 ( 0.170 0.000 0.079) 0.187 ======================= Grid point 106 (56/87) ======================= q-point: ( 0.14 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.507 ( 1.289 0.000 -3.795) 4.008 0.546 ( 0.846 0.000 2.012) 2.183 0.562 ( -1.988 0.000 2.219) 2.980 0.725 ( 2.851 0.000 -4.073) 4.972 0.741 ( 0.474 0.000 5.257) 5.278 0.896 ( 0.975 0.000 -1.674) 1.937 1.002 ( -0.851 0.000 0.654) 1.073 1.034 ( -0.936 0.000 0.710) 1.175 1.060 ( 3.903 0.000 2.551) 4.663 1.176 ( -1.558 0.000 2.881) 3.275 1.225 ( -2.166 0.000 4.153) 4.684 1.294 ( -1.681 0.000 0.467) 1.744 1.375 ( -4.442 0.000 0.942) 4.541 1.419 ( -1.616 0.000 -2.643) 3.098 1.444 ( 3.238 0.000 1.637) 3.628 1.526 ( -1.415 0.000 -2.258) 2.664 1.591 ( -4.439 0.000 3.078) 5.402 1.605 ( 1.344 0.000 1.311) 1.878 1.714 ( -3.444 0.000 2.293) 4.138 1.753 ( -4.004 0.000 0.613) 4.051 1.783 ( 3.557 0.000 1.126) 3.731 1.795 ( 1.024 0.000 -3.039) 3.206 1.812 ( 3.499 0.000 1.142) 3.681 2.030 ( 0.508 0.000 2.195) 2.253 2.040 ( 4.091 0.000 -3.316) 5.266 2.157 ( -2.724 0.000 6.313) 6.876 2.362 ( 1.997 0.000 -8.343) 8.579 2.442 ( 0.804 0.000 -7.310) 7.354 2.736 ( 0.495 0.000 1.424) 1.508 2.747 ( 0.041 0.000 1.083) 1.084 2.785 ( -1.368 0.000 0.236) 1.388 2.805 ( 0.193 0.000 1.378) 1.392 2.987 ( -1.653 0.000 2.977) 3.405 2.995 ( -0.789 0.000 4.639) 4.706 3.048 ( -0.634 0.000 -0.062) 0.637 3.093 ( -0.264 0.000 -0.231) 0.351 3.350 ( 0.820 0.000 0.060) 0.823 3.368 ( -1.886 0.000 -0.441) 1.937 3.416 ( 1.088 0.000 -4.973) 5.091 3.494 ( 2.429 0.000 -3.549) 4.301 5.301 ( -0.517 0.000 0.657) 0.836 5.343 ( -0.285 0.000 0.407) 0.496 5.362 ( 0.716 0.000 -0.946) 1.186 5.364 ( 0.388 0.000 -0.499) 0.632 6.841 ( -1.577 0.000 3.601) 3.931 6.872 ( -0.767 0.000 5.437) 5.491 6.914 ( -0.180 0.000 -1.152) 1.166 6.923 ( -0.529 0.000 -0.803) 0.962 7.021 ( -0.887 0.000 5.415) 5.487 7.157 ( -6.319 0.000 3.935) 7.444 7.180 ( 1.046 0.000 -2.703) 2.898 7.398 ( 3.079 0.000 -0.583) 3.133 7.784 ( -0.502 0.000 -0.803) 0.947 7.789 ( 0.315 0.000 -0.841) 0.898 7.836 ( -1.434 0.000 -1.654) 2.189 7.871 ( 1.206 0.000 -1.458) 1.892 8.080 ( 0.089 0.000 1.183) 1.187 8.094 ( -0.606 0.000 -0.835) 1.031 8.113 ( -0.400 0.000 0.382) 0.553 8.128 ( 0.099 0.000 0.143) 0.174 ======================= Grid point 107 (57/87) ======================= q-point: ( 0.29 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.495 ( 1.521 0.000 -8.456) 8.591 0.495 ( -7.831 0.000 5.453) 9.543 0.538 ( -0.744 0.000 0.690) 1.015 0.786 ( 0.671 0.000 2.168) 2.269 0.790 ( 5.381 0.000 -2.858) 6.093 0.895 ( -0.900 0.000 -2.217) 2.393 0.965 ( -1.273 0.000 -0.291) 1.305 1.061 ( 1.785 0.000 1.664) 2.441 1.121 ( 0.754 0.000 0.705) 1.032 1.168 ( 0.950 0.000 1.326) 1.632 1.187 ( -3.589 0.000 2.581) 4.421 1.275 ( -1.221 0.000 1.134) 1.666 1.306 ( -4.210 0.000 4.001) 5.807 1.376 ( -1.701 0.000 -0.672) 1.829 1.469 ( -2.618 0.000 3.516) 4.384 1.494 ( 0.334 0.000 -3.215) 3.232 1.558 ( 0.335 0.000 1.425) 1.464 1.604 ( -2.360 0.000 -0.075) 2.361 1.667 ( -2.282 0.000 2.583) 3.446 1.684 ( -2.776 0.000 1.791) 3.304 1.805 ( 1.007 0.000 -1.119) 1.506 1.862 ( 3.378 0.000 0.620) 3.434 1.875 ( 2.913 0.000 -0.511) 2.957 2.037 ( -0.868 0.000 3.441) 3.549 2.097 ( 2.657 0.000 -4.188) 4.960 2.138 ( -1.867 0.000 5.501) 5.809 2.367 ( 2.910 0.000 -7.399) 7.951 2.422 ( 1.313 0.000 -7.850) 7.959 2.753 ( 0.642 0.000 0.752) 0.989 2.755 ( -0.123 0.000 0.987) 0.994 2.766 ( -0.659 0.000 1.131) 1.309 2.810 ( -0.550 0.000 1.852) 1.932 2.966 ( -1.868 0.000 2.736) 3.313 3.007 ( -0.536 0.000 3.966) 4.003 3.033 ( -0.769 0.000 -0.050) 0.771 3.082 ( -0.759 0.000 -0.045) 0.760 3.338 ( -1.130 0.000 -0.211) 1.150 3.372 ( 1.316 0.000 0.523) 1.416 3.410 ( 1.057 0.000 -4.969) 5.080 3.513 ( 1.478 0.000 -3.656) 3.943 5.301 ( 0.050 0.000 0.755) 0.756 5.339 ( -0.320 0.000 0.408) 0.518 5.360 ( 0.041 0.000 -0.820) 0.821 5.375 ( 0.652 0.000 -0.803) 1.034 6.829 ( -1.869 0.000 4.507) 4.879 6.883 ( -0.956 0.000 4.827) 4.921 6.902 ( -0.289 0.000 -1.015) 1.055 6.917 ( 0.283 0.000 -0.917) 0.960 7.045 ( 0.054 0.000 6.799) 6.799 7.087 ( -3.890 0.000 5.462) 6.706 7.193 ( 1.618 0.000 -2.422) 2.913 7.438 ( 1.131 0.000 -0.802) 1.387 7.771 ( -0.356 0.000 -0.704) 0.789 7.786 ( -0.037 0.000 -1.216) 1.217 7.806 ( -0.595 0.000 -1.254) 1.388 7.877 ( 0.458 0.000 -1.890) 1.945 8.080 ( -0.386 0.000 -0.616) 0.727 8.086 ( -0.099 0.000 1.119) 1.123 8.105 ( -0.562 0.000 0.258) 0.619 8.130 ( 0.048 0.000 0.004) 0.048 ======================= Grid point 108 (58/87) ======================= q-point: (-0.57 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.342 ( -10.936 0.000 6.420) 12.681 0.493 ( 2.656 0.000 -7.099) 7.579 0.548 ( 0.850 0.000 2.854) 2.978 0.772 ( -2.875 0.000 1.948) 3.473 0.823 ( -4.320 0.000 -3.239) 5.400 0.883 ( 5.171 0.000 -2.624) 5.798 0.946 ( -1.578 0.000 1.742) 2.351 1.114 ( 2.740 0.000 1.910) 3.340 1.139 ( -2.441 0.000 1.225) 2.731 1.152 ( 2.734 0.000 -2.326) 3.590 1.166 ( -0.597 0.000 -1.619) 1.725 1.243 ( -3.285 0.000 0.523) 3.326 1.258 ( -3.103 0.000 5.412) 6.238 1.374 ( 1.603 0.000 0.960) 1.868 1.415 ( -4.494 0.000 4.592) 6.425 1.504 ( 1.075 0.000 -1.680) 1.995 1.552 ( -2.874 0.000 3.177) 4.284 1.580 ( 0.793 0.000 -0.222) 0.823 1.639 ( -1.981 0.000 1.903) 2.747 1.672 ( -0.168 0.000 2.618) 2.624 1.820 ( 1.011 0.000 -0.342) 1.067 1.893 ( 1.137 0.000 -2.488) 2.735 1.932 ( 2.207 0.000 1.911) 2.920 2.032 ( -1.862 0.000 4.014) 4.425 2.078 ( -2.122 0.000 -0.001) 2.122 2.160 ( 1.571 0.000 -0.396) 1.620 2.387 ( 2.496 0.000 -6.556) 7.016 2.416 ( 3.119 0.000 -9.225) 9.738 2.749 ( -0.492 0.000 0.955) 1.075 2.762 ( -0.112 0.000 0.196) 0.226 2.778 ( 0.545 0.000 2.023) 2.095 2.807 ( -0.712 0.000 1.856) 1.988 2.951 ( -1.144 0.000 2.690) 2.923 3.013 ( -0.900 0.000 3.577) 3.688 3.021 ( -0.306 0.000 -0.401) 0.504 3.068 ( -0.662 0.000 0.327) 0.738 3.324 ( -0.304 0.000 -0.132) 0.331 3.404 ( 1.061 0.000 -4.815) 4.931 3.405 ( 1.756 0.000 0.693) 1.888 3.511 ( 0.420 0.000 -3.929) 3.951 5.308 ( 0.215 0.000 0.792) 0.821 5.338 ( 0.006 0.000 0.546) 0.546 5.356 ( -0.029 0.000 -1.028) 1.028 5.378 ( 0.167 0.000 -0.920) 0.935 6.819 ( -1.720 0.000 4.815) 5.113 6.885 ( -1.168 0.000 3.386) 3.582 6.898 ( 0.360 0.000 -0.949) 1.015 6.923 ( 0.737 0.000 -0.639) 0.975 7.053 ( -2.464 0.000 5.405) 5.940 7.106 ( 1.855 0.000 9.020) 9.209 7.211 ( 1.536 0.000 -2.423) 2.869 7.424 ( -1.437 0.000 -2.748) 3.101 7.767 ( 0.307 0.000 -0.624) 0.696 7.778 ( -0.129 0.000 -1.332) 1.338 7.808 ( 1.080 0.000 -0.283) 1.117 7.870 ( -0.072 0.000 -2.396) 2.397 8.075 ( 0.039 0.000 -0.200) 0.203 8.083 ( -0.651 0.000 0.201) 0.682 8.100 ( -0.204 0.000 1.039) 1.059 8.131 ( 0.112 0.000 -0.135) 0.175 ======================= Grid point 109 (59/87) ======================= q-point: (-0.43 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.182 ( -9.412 0.000 9.831) 13.610 0.515 ( 1.931 0.000 -2.605) 3.243 0.586 ( 0.339 0.000 4.661) 4.673 0.718 ( -3.925 0.000 -3.946) 5.566 0.725 ( -2.635 0.000 3.720) 4.559 0.936 ( -0.865 0.000 4.431) 4.515 0.950 ( 2.796 0.000 -2.621) 3.833 1.100 ( -2.002 0.000 1.725) 2.643 1.107 ( -2.924 0.000 -2.600) 3.913 1.171 ( 1.119 0.000 2.099) 2.379 1.174 ( -2.360 0.000 -2.704) 3.589 1.233 ( 4.851 0.000 -1.183) 4.994 1.246 ( -1.206 0.000 5.298) 5.434 1.379 ( -0.669 0.000 2.871) 2.948 1.402 ( 0.190 0.000 0.033) 0.193 1.498 ( -1.433 0.000 4.503) 4.726 1.547 ( -0.435 0.000 5.103) 5.121 1.576 ( -0.713 0.000 -0.889) 1.139 1.629 ( 0.700 0.000 -1.167) 1.361 1.686 ( -0.220 0.000 2.669) 2.678 1.844 ( 1.855 0.000 -0.533) 1.931 1.889 ( -0.294 0.000 -2.276) 2.295 1.967 ( 0.179 0.000 2.510) 2.517 2.005 ( -3.427 0.000 4.882) 5.965 2.038 ( -1.401 0.000 -2.132) 2.552 2.179 ( 0.507 0.000 0.221) 0.553 2.388 ( 2.049 0.000 -7.852) 8.115 2.442 ( 4.203 0.000 -8.922) 9.862 2.748 ( -0.238 0.000 1.226) 1.249 2.753 ( -0.871 0.000 0.509) 1.009 2.801 ( 0.687 0.000 1.931) 2.050 2.802 ( -0.616 0.000 0.912) 1.101 2.950 ( -0.603 0.000 2.913) 2.975 3.011 ( -1.358 0.000 3.787) 4.023 3.019 ( 0.531 0.000 -0.917) 1.060 3.063 ( -0.089 0.000 0.647) 0.653 3.322 ( 0.195 0.000 -0.276) 0.338 3.401 ( 1.288 0.000 -4.572) 4.750 3.440 ( 1.503 0.000 0.319) 1.536 3.490 ( -0.210 0.000 -4.279) 4.284 5.317 ( 0.265 0.000 0.810) 0.852 5.342 ( 0.057 0.000 0.659) 0.661 5.349 ( -0.051 0.000 -1.151) 1.152 5.373 ( -0.077 0.000 -1.003) 1.006 6.816 ( -1.194 0.000 4.616) 4.768 6.876 ( -1.225 0.000 2.271) 2.580 6.904 ( 0.775 0.000 -0.906) 1.192 6.935 ( 0.818 0.000 -0.341) 0.887 7.041 ( -1.993 0.000 5.523) 5.872 7.216 ( 4.623 0.000 8.959) 10.081 7.223 ( 1.056 0.000 -2.476) 2.692 7.371 ( -1.760 0.000 -4.298) 4.644 7.769 ( -0.053 0.000 -1.248) 1.249 7.775 ( 0.842 0.000 -0.663) 1.072 7.834 ( 1.552 0.000 -0.138) 1.558 7.847 ( -0.921 0.000 -2.795) 2.943 8.069 ( -0.815 0.000 0.107) 0.822 8.079 ( 0.425 0.000 0.232) 0.484 8.104 ( -0.144 0.000 1.193) 1.202 8.132 ( 0.137 0.000 -0.315) 0.343 ======================= Grid point 110 (60/87) ======================= q-point: (-0.29 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.152 ( 2.050 0.000 7.635) 7.906 0.511 ( -2.562 0.000 1.872) 3.173 0.591 ( -1.726 0.000 4.452) 4.775 0.676 ( 2.062 0.000 -2.953) 3.602 0.730 ( -0.147 0.000 5.660) 5.661 0.950 ( -1.666 0.000 7.366) 7.552 0.951 ( -1.489 0.000 -1.038) 1.815 1.032 ( -3.620 0.000 -1.312) 3.850 1.102 ( 1.289 0.000 3.572) 3.797 1.136 ( 0.228 0.000 -4.158) 4.165 1.168 ( -1.428 0.000 2.031) 2.483 1.273 ( 0.767 0.000 2.970) 3.068 1.316 ( 4.894 0.000 -3.780) 6.183 1.394 ( -1.721 0.000 5.497) 5.760 1.410 ( 2.478 0.000 0.026) 2.478 1.506 ( -0.324 0.000 3.648) 3.662 1.563 ( 0.084 0.000 0.410) 0.419 1.588 ( 2.202 0.000 4.003) 4.569 1.636 ( 0.629 0.000 -1.766) 1.875 1.687 ( -0.970 0.000 2.094) 2.307 1.855 ( -2.460 0.000 -0.900) 2.619 1.881 ( 2.643 0.000 -2.085) 3.366 1.958 ( -2.984 0.000 0.243) 2.994 1.964 ( -1.860 0.000 2.261) 2.928 2.007 ( -1.645 0.000 1.938) 2.542 2.184 ( -0.434 0.000 1.495) 1.557 2.388 ( 2.401 0.000 -8.656) 8.983 2.470 ( 3.424 0.000 -8.675) 9.327 2.738 ( -1.123 0.000 1.171) 1.622 2.749 ( -0.384 0.000 1.194) 1.254 2.793 ( -0.548 0.000 -0.002) 0.548 2.820 ( 0.257 0.000 1.414) 1.437 2.956 ( -0.655 0.000 3.635) 3.694 3.006 ( -1.357 0.000 4.401) 4.605 3.031 ( 1.176 0.000 -1.086) 1.601 3.070 ( 0.436 0.000 0.534) 0.689 3.326 ( 0.387 0.000 -0.491) 0.625 3.407 ( 1.811 0.000 -4.267) 4.635 3.458 ( 0.305 0.000 -0.432) 0.529 3.463 ( -0.159 0.000 -4.548) 4.551 5.326 ( 0.140 0.000 0.787) 0.799 5.342 ( 0.007 0.000 -1.173) 1.173 5.344 ( -0.267 0.000 0.648) 0.701 5.368 ( 0.052 0.000 -0.899) 0.900 6.823 ( -0.571 0.000 4.389) 4.426 6.865 ( -1.068 0.000 1.815) 2.106 6.914 ( 0.714 0.000 -0.936) 1.177 6.947 ( 0.454 0.000 -0.183) 0.490 7.033 ( -1.859 0.000 5.314) 5.630 7.222 ( 0.177 0.000 -2.562) 2.568 7.327 ( -0.260 0.000 -4.667) 4.675 7.353 ( 4.994 0.000 5.094) 7.134 7.763 ( 0.002 0.000 -0.957) 0.957 7.788 ( 0.844 0.000 -0.838) 1.190 7.809 ( -1.330 0.000 -2.083) 2.471 7.860 ( 1.303 0.000 -0.569) 1.421 8.058 ( -0.466 0.000 0.579) 0.744 8.091 ( 0.634 0.000 0.462) 0.784 8.107 ( -0.125 0.000 1.145) 1.152 8.132 ( 0.018 0.000 -0.543) 0.543 ======================= Grid point 111 (61/87) ======================= q-point: (-0.14 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.283 ( 7.621 0.000 3.246) 8.284 0.471 ( -2.348 0.000 4.391) 4.979 0.588 ( -0.820 0.000 3.304) 3.404 0.726 ( 3.107 0.000 -2.903) 4.253 0.747 ( -1.536 0.000 5.570) 5.778 0.912 ( -1.725 0.000 1.158) 2.078 0.950 ( -2.110 0.000 8.970) 9.215 0.968 ( -2.144 0.000 -0.601) 2.226 1.128 ( -1.962 0.000 2.388) 3.091 1.136 ( 1.913 0.000 -3.606) 4.082 1.208 ( 4.919 0.000 1.879) 5.265 1.281 ( -0.586 0.000 1.461) 1.574 1.367 ( 0.570 0.000 0.819) 0.997 1.402 ( 1.136 0.000 1.355) 1.768 1.456 ( 2.102 0.000 -1.125) 2.384 1.518 ( 0.120 0.000 1.582) 1.586 1.596 ( 2.255 0.000 2.431) 3.316 1.628 ( -0.670 0.000 -1.010) 1.212 1.661 ( 2.864 0.000 3.897) 4.836 1.681 ( -0.078 0.000 1.897) 1.899 1.790 ( -4.002 0.000 0.128) 4.004 1.893 ( -2.459 0.000 -3.366) 4.168 1.922 ( -3.629 0.000 1.790) 4.047 1.922 ( 3.058 0.000 -4.208) 5.202 2.001 ( -1.003 0.000 5.300) 5.395 2.180 ( -1.189 0.000 3.068) 3.291 2.385 ( 2.113 0.000 -8.994) 9.239 2.478 ( 2.091 0.000 -8.196) 8.459 2.726 ( -0.904 0.000 1.713) 1.937 2.747 ( -0.465 0.000 0.986) 1.090 2.786 ( -0.121 0.000 0.098) 0.156 2.823 ( -0.547 0.000 0.790) 0.961 2.966 ( -0.414 0.000 4.287) 4.307 3.004 ( -1.367 0.000 4.662) 4.858 3.047 ( 0.920 0.000 -0.761) 1.194 3.083 ( 0.662 0.000 0.091) 0.668 3.331 ( 0.461 0.000 -0.534) 0.706 3.423 ( 1.936 0.000 -4.204) 4.628 3.443 ( 0.902 0.000 -4.422) 4.513 3.445 ( -1.170 0.000 -0.905) 1.480 5.326 ( -0.628 0.000 0.696) 0.937 5.340 ( 0.410 0.000 -1.091) 1.166 5.342 ( -0.128 0.000 0.569) 0.583 5.366 ( 0.157 0.000 -0.695) 0.713 6.838 ( -0.357 0.000 4.622) 4.636 6.856 ( -0.851 0.000 1.859) 2.045 6.920 ( 0.440 0.000 -1.006) 1.098 6.949 ( -0.139 0.000 -0.243) 0.279 7.025 ( -1.832 0.000 4.950) 5.278 7.204 ( -0.400 0.000 -2.982) 3.009 7.318 ( 1.590 0.000 -3.660) 3.991 7.396 ( -2.723 0.000 -0.538) 2.776 7.765 ( 0.863 0.000 -0.043) 0.864 7.796 ( 0.465 0.000 -0.935) 1.044 7.802 ( 1.501 0.000 -0.390) 1.550 7.873 ( 0.512 0.000 -1.041) 1.160 8.059 ( 0.143 0.000 1.028) 1.038 8.106 ( 0.539 0.000 0.351) 0.643 8.111 ( -0.051 0.000 1.041) 1.042 8.127 ( -0.165 0.000 -0.644) 0.665 ======================= Grid point 112 (62/87) ======================= q-point: ( 0.00 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.452 ( 2.935 1.843 3.209) 4.723 0.529 ( 1.022 1.587 0.735) 2.026 0.580 ( 0.210 0.970 2.790) 2.961 0.679 ( -0.230 -2.642 0.471) 2.694 0.774 ( -0.140 0.759 1.484) 1.672 0.839 ( 1.258 -2.597 1.306) 3.167 0.941 ( 0.594 -1.173 1.322) 1.864 1.020 ( -0.354 -1.117 0.472) 1.263 1.080 ( -1.380 1.171 1.952) 2.662 1.157 ( 2.352 -0.896 -1.333) 2.848 1.271 ( -0.725 2.634 3.015) 4.068 1.311 ( -1.535 -1.010 3.408) 3.871 1.359 ( 1.432 -0.282 0.072) 1.461 1.401 ( -3.099 -2.236 -0.127) 3.823 1.470 ( 0.595 0.814 -0.578) 1.162 1.512 ( 2.724 -1.612 -1.735) 3.610 1.598 ( -2.979 0.474 4.851) 5.712 1.655 ( -1.383 -0.434 6.089) 6.259 1.694 ( 2.640 0.489 0.455) 2.723 1.747 ( -1.621 1.623 -0.869) 2.453 1.760 ( 0.529 0.249 1.296) 1.422 1.827 ( -2.360 -0.713 -2.785) 3.720 1.857 ( 0.269 1.903 -0.932) 2.136 1.956 ( 4.110 -1.459 -4.677) 6.395 2.037 ( -0.819 2.092 4.975) 5.458 2.148 ( -1.907 -2.210 5.105) 5.880 2.390 ( 1.666 1.487 -8.611) 8.896 2.453 ( 1.153 -1.161 -7.678) 7.851 2.732 ( -0.056 0.793 1.731) 1.905 2.754 ( -0.115 0.740 0.842) 1.127 2.784 ( -0.058 -0.531 0.917) 1.061 2.806 ( -1.206 -0.436 0.173) 1.294 2.983 ( -0.619 0.200 4.324) 4.373 2.997 ( -1.414 -0.364 4.332) 4.571 3.062 ( 0.168 0.705 -0.422) 0.839 3.089 ( 0.358 -0.394 -0.388) 0.659 3.350 ( 0.259 1.080 -0.390) 1.177 3.399 ( -1.426 -0.964 -0.765) 1.883 3.430 ( 1.108 0.718 -4.631) 4.815 3.459 ( 2.190 -0.433 -3.821) 4.426 5.317 ( -0.787 0.378 0.593) 1.055 5.338 ( -0.047 -0.498 0.404) 0.643 5.351 ( 0.659 0.259 -0.802) 1.070 5.363 ( 0.204 -0.240 -0.659) 0.731 6.851 ( -1.039 0.164 3.332) 3.494 6.857 ( -0.579 -0.052 4.082) 4.124 6.923 ( 0.061 0.276 -1.013) 1.052 6.936 ( -0.483 -0.291 -0.544) 0.783 7.043 ( -2.069 2.569 5.037) 6.021 7.178 ( -1.757 -1.568 0.017) 2.355 7.266 ( -4.118 -0.354 -0.666) 4.187 7.330 ( 2.079 -1.546 -2.338) 3.490 7.783 ( 0.729 0.138 -0.288) 0.796 7.792 ( 0.360 -0.214 -0.472) 0.631 7.846 ( 1.553 0.324 -1.290) 2.045 7.863 ( -0.318 -0.286 -1.579) 1.636 8.074 ( 0.273 0.418 1.066) 1.177 8.101 ( -0.018 -0.664 0.340) 0.746 8.114 ( -0.325 0.036 -0.030) 0.328 8.122 ( -0.013 -0.235 -0.008) 0.236 ======================= Grid point 113 (63/87) ======================= q-point: ( 0.14 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.510 ( 1.825 0.351 0.612) 1.957 0.543 ( -0.357 -0.676 0.713) 1.045 0.582 ( -1.737 2.125 1.155) 2.978 0.684 ( 1.869 -1.715 -2.118) 3.305 0.801 ( 1.936 3.249 1.711) 4.151 0.854 ( 0.308 -2.702 -0.503) 2.765 0.984 ( -0.699 -2.171 -1.555) 2.761 0.997 ( 2.629 -2.613 2.237) 4.329 1.102 ( 1.667 2.456 1.303) 3.241 1.175 ( -1.169 0.347 1.419) 1.871 1.250 ( -2.867 -0.324 2.718) 3.963 1.275 ( -2.360 1.289 2.053) 3.383 1.323 ( -2.592 -3.459 -0.974) 4.431 1.423 ( 0.568 -1.753 2.499) 3.105 1.457 ( 1.265 2.417 -1.387) 3.061 1.538 ( -4.253 1.345 3.398) 5.608 1.582 ( 2.803 -0.909 -1.099) 3.145 1.636 ( -3.047 1.294 3.531) 4.840 1.661 ( -4.744 -2.688 1.813) 5.746 1.741 ( -2.222 -1.276 -3.487) 4.327 1.772 ( 2.537 -0.767 1.139) 2.885 1.790 ( -1.108 -0.064 2.497) 2.732 1.884 ( 3.477 5.000 -2.657) 6.644 2.021 ( 4.979 -1.809 -4.547) 6.981 2.055 ( -0.081 2.103 4.277) 4.767 2.142 ( -1.996 -1.486 6.098) 6.586 2.378 ( 1.842 1.417 -8.173) 8.497 2.433 ( 1.018 -0.904 -7.419) 7.543 2.744 ( 0.222 0.825 1.277) 1.536 2.755 ( 0.034 0.766 1.041) 1.293 2.782 ( -1.247 -0.342 0.259) 1.318 2.793 ( 0.115 -1.095 1.547) 1.899 2.987 ( -1.541 0.019 3.255) 3.601 2.993 ( -0.946 -0.197 4.427) 4.531 3.057 ( -0.513 0.835 -0.116) 0.987 3.088 ( -0.289 -0.479 -0.255) 0.615 3.352 ( 0.140 0.153 -0.203) 0.290 3.364 ( -1.665 -0.357 -0.463) 1.764 3.431 ( 1.490 1.335 -4.550) 4.970 3.485 ( 2.346 -0.935 -3.659) 4.446 5.307 ( -0.483 0.539 0.602) 0.941 5.336 ( -0.320 -0.644 0.400) 0.823 5.363 ( 0.761 0.038 -0.873) 1.159 5.364 ( 0.372 -0.012 -0.559) 0.672 6.845 ( -1.467 0.439 3.842) 4.136 6.867 ( -0.918 -0.466 5.070) 5.173 6.916 ( -0.219 0.165 -1.087) 1.121 6.922 ( -0.438 -0.087 -0.859) 0.968 7.037 ( -1.452 1.545 5.555) 5.946 7.125 ( -4.356 -2.217 3.944) 6.280 7.224 ( 0.250 3.340 -2.007) 3.904 7.369 ( 2.593 -2.801 -0.997) 3.945 7.786 ( -0.287 0.224 -0.697) 0.786 7.793 ( 0.192 0.174 -0.840) 0.879 7.838 ( -1.077 0.256 -1.704) 2.032 7.864 ( 0.883 -0.648 -1.570) 1.914 8.083 ( -0.005 0.254 0.967) 1.000 8.094 ( -0.465 -0.019 -0.445) 0.643 8.109 ( -0.390 -0.219 0.334) 0.558 8.123 ( 0.072 -0.491 0.138) 0.515 ======================= Grid point 114 (64/87) ======================= q-point: ( 0.29 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.495 ( -5.838 0.326 4.227) 7.215 0.529 ( -2.907 1.055 -1.311) 3.359 0.538 ( 1.761 2.041 -3.824) 4.678 0.739 ( 4.367 -2.947 -2.421) 5.798 0.823 ( -2.036 -1.610 -0.885) 2.742 0.856 ( 2.432 0.793 0.088) 2.560 0.987 ( 0.558 1.163 0.384) 1.346 1.063 ( 2.827 -0.612 1.382) 3.205 1.117 ( -1.877 -2.580 1.996) 3.764 1.153 ( -0.009 2.754 -0.180) 2.760 1.186 ( -3.595 -3.436 0.643) 5.014 1.247 ( -1.750 2.020 1.836) 3.243 1.317 ( 0.610 -1.653 0.869) 1.964 1.401 ( -2.003 1.884 1.375) 3.074 1.467 ( -4.354 1.322 4.891) 6.680 1.517 ( 3.029 -0.309 0.209) 3.052 1.558 ( -3.068 0.958 -2.335) 3.973 1.609 ( -2.507 -1.000 3.363) 4.313 1.611 ( -1.305 -0.943 0.324) 1.642 1.688 ( -1.171 -1.638 -1.445) 2.479 1.782 ( -1.277 -0.931 2.462) 2.925 1.814 ( 1.229 -3.425 1.211) 3.835 1.943 ( 3.543 4.767 -2.062) 6.287 2.073 ( -0.108 2.179 3.575) 4.188 2.081 ( 2.926 -1.286 -4.073) 5.177 2.135 ( -1.487 -0.416 5.084) 5.314 2.379 ( 2.602 1.047 -7.517) 8.023 2.417 ( 1.506 -0.535 -7.756) 7.919 2.747 ( -0.403 0.061 0.964) 1.047 2.764 ( -0.810 -0.233 0.810) 1.169 2.771 ( 0.751 0.894 1.038) 1.562 2.801 ( -0.196 -0.736 1.818) 1.971 2.970 ( -1.708 0.428 2.902) 3.394 2.998 ( -0.864 -0.717 3.683) 3.850 3.045 ( -0.673 0.963 0.140) 1.183 3.077 ( -0.737 -0.465 0.025) 0.872 3.337 ( -0.878 0.022 -0.351) 0.946 3.357 ( 0.562 -0.952 -0.319) 1.151 3.436 ( 1.444 1.995 -3.911) 4.622 3.503 ( 1.532 -0.995 -3.614) 4.050 5.306 ( -0.009 0.470 0.684) 0.830 5.332 ( -0.258 -0.604 0.407) 0.773 5.363 ( 0.131 0.253 -0.782) 0.833 5.373 ( 0.580 -0.180 -0.801) 1.005 6.837 ( -1.714 0.766 4.570) 4.941 6.875 ( -1.055 -0.802 4.766) 4.947 6.905 ( -0.217 0.262 -0.973) 1.031 6.915 ( 0.195 -0.151 -0.937) 0.969 7.050 ( -0.458 0.528 6.665) 6.702 7.078 ( -3.092 -0.722 5.544) 6.389 7.232 ( 1.340 3.630 -2.075) 4.390 7.403 ( 1.180 -3.420 -1.054) 3.768 7.774 ( -0.309 0.342 -0.756) 0.885 7.789 ( 0.063 -0.009 -1.081) 1.082 7.812 ( -0.653 0.813 -1.507) 1.833 7.866 ( 0.281 -1.115 -1.895) 2.216 8.080 ( -0.415 0.043 -0.122) 0.435 8.088 ( -0.306 -0.055 0.390) 0.498 8.104 ( -0.277 0.152 0.517) 0.606 8.126 ( 0.099 -0.450 0.112) 0.474 ======================= Grid point 115 (65/87) ======================= q-point: (-0.57 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.369 ( -9.149 2.598 5.318) 10.897 0.493 ( 0.257 -1.452 -1.122) 1.853 0.549 ( 0.782 1.771 -2.206) 2.935 0.750 ( -2.796 -5.285 -2.741) 6.578 0.811 ( 0.988 2.795 0.601) 3.025 0.891 ( 1.908 0.887 -1.134) 2.390 0.981 ( -1.425 2.049 1.066) 2.714 1.080 ( -2.798 -3.800 1.426) 4.930 1.114 ( 1.625 -0.565 1.775) 2.472 1.147 ( -1.295 -2.572 1.567) 3.278 1.172 ( 3.030 1.663 -2.597) 4.324 1.216 ( -1.942 1.501 -0.857) 2.599 1.318 ( -1.732 1.245 3.232) 3.873 1.366 ( -3.611 -1.073 3.435) 5.098 1.443 ( 0.245 2.757 2.815) 3.948 1.523 ( 0.751 0.994 -1.932) 2.299 1.560 ( -1.347 0.514 -0.271) 1.467 1.571 ( 1.142 0.470 -0.572) 1.361 1.607 ( -0.495 -2.246 4.125) 4.723 1.664 ( -2.184 -1.093 2.478) 3.479 1.770 ( -1.093 -2.658 1.679) 3.328 1.836 ( 0.611 -5.222 1.198) 5.393 1.980 ( 1.035 4.057 -1.380) 4.409 2.072 ( -2.147 -0.389 0.409) 2.220 2.085 ( 0.040 3.006 1.800) 3.504 2.156 ( 1.473 -0.573 0.433) 1.639 2.393 ( 2.527 0.552 -6.937) 7.403 2.413 ( 2.919 -0.269 -8.759) 9.237 2.742 ( -0.578 -0.236 1.310) 1.451 2.757 ( -0.535 -0.499 0.962) 1.209 2.791 ( 0.680 0.874 1.048) 1.525 2.806 ( -0.158 -0.045 1.400) 1.410 2.958 ( -1.076 0.685 2.834) 3.108 2.998 ( -0.973 -1.044 2.833) 3.172 3.036 ( -0.393 0.917 0.424) 1.085 3.064 ( -0.654 -0.396 0.346) 0.839 3.327 ( -0.023 0.429 -0.253) 0.498 3.369 ( 1.050 -1.618 -1.298) 2.325 3.445 ( 1.359 2.058 -2.723) 3.674 3.503 ( 0.586 -0.742 -3.734) 3.852 5.312 ( 0.171 0.340 0.754) 0.844 5.332 ( 0.029 -0.506 0.538) 0.740 5.360 ( 0.012 0.386 -0.972) 1.046 5.376 ( 0.162 -0.263 -0.947) 0.997 6.830 ( -1.564 1.016 4.630) 4.992 6.876 ( -1.152 -0.862 3.599) 3.876 6.902 ( 0.375 0.381 -0.871) 1.022 6.919 ( 0.636 -0.333 -0.668) 0.981 7.060 ( -1.926 0.632 5.906) 6.245 7.097 ( 1.060 -0.882 8.304) 8.418 7.245 ( 1.229 3.246 -2.220) 4.120 7.395 ( -0.864 -2.853 -2.602) 3.957 7.771 ( 0.389 0.439 -0.646) 0.872 7.787 ( 0.084 0.735 -1.411) 1.593 7.803 ( 0.612 -0.241 -0.564) 0.867 7.855 ( -0.208 -1.359 -2.307) 2.685 8.074 ( -0.136 -0.017 0.038) 0.142 8.080 ( -0.621 -0.287 0.119) 0.694 8.106 ( 0.005 0.529 0.859) 1.009 8.128 ( 0.149 -0.327 -0.030) 0.361 ======================= Grid point 116 (66/87) ======================= q-point: (-0.43 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.255 ( -4.976 6.527 6.893) 10.718 0.529 ( 3.281 -2.262 0.445) 4.010 0.541 ( -1.132 -0.553 1.361) 1.854 0.672 ( -3.341 -2.841 -1.586) 4.664 0.799 ( -2.482 4.866 1.022) 5.557 0.929 ( 1.309 0.440 1.702) 2.192 0.950 ( -1.935 -1.097 -0.042) 2.225 1.028 ( -2.967 -3.646 1.624) 4.973 1.126 ( -0.971 -1.213 1.417) 2.103 1.158 ( 0.942 -1.277 0.938) 1.843 1.173 ( -0.715 1.814 -2.924) 3.514 1.227 ( 2.025 -1.057 -2.473) 3.366 1.287 ( -0.915 2.404 3.197) 4.103 1.357 ( 0.628 0.470 4.828) 4.891 1.475 ( 0.920 3.947 -0.513) 4.085 1.507 ( -1.741 1.149 3.774) 4.312 1.567 ( 0.659 1.602 1.807) 2.503 1.583 ( 1.297 0.981 -1.908) 2.507 1.621 ( -1.082 -0.566 2.212) 2.526 1.650 ( 0.520 -3.318 2.326) 4.085 1.760 ( -0.611 -4.436 1.388) 4.688 1.853 ( 0.344 -5.944 1.898) 6.250 1.967 ( -1.650 2.689 -0.057) 3.155 2.022 ( -2.892 -0.320 -0.612) 2.973 2.092 ( -0.435 3.918 1.384) 4.178 2.176 ( 0.400 -0.458 0.362) 0.707 2.397 ( 2.335 0.851 -7.892) 8.274 2.435 ( 3.832 -0.714 -8.650) 9.488 2.740 ( -0.432 -0.368 1.425) 1.533 2.750 ( -0.830 -0.440 1.171) 1.502 2.808 ( 0.056 0.500 0.589) 0.774 2.809 ( 0.341 0.529 1.069) 1.240 2.959 ( -0.617 0.752 3.016) 3.169 2.995 ( -0.742 -0.962 2.854) 3.102 3.033 ( -0.013 0.841 0.166) 0.858 3.059 ( -0.067 -0.398 0.519) 0.657 3.330 ( 0.457 0.803 -0.468) 1.035 3.380 ( 1.250 -1.520 -2.538) 3.211 3.458 ( 1.151 1.255 -1.677) 2.390 3.488 ( -0.016 -0.251 -3.958) 3.966 5.319 ( 0.207 0.251 0.786) 0.851 5.336 ( 0.037 -0.476 0.533) 0.716 5.354 ( -0.012 0.435 -0.981) 1.074 5.371 ( -0.043 -0.253 -1.040) 1.071 6.827 ( -1.107 1.063 4.192) 4.464 6.870 ( -1.153 -0.675 2.510) 2.844 6.909 ( 0.756 0.430 -0.778) 1.166 6.930 ( 0.743 -0.479 -0.357) 0.953 7.060 ( -1.481 1.930 6.103) 6.570 7.175 ( 2.317 -2.866 7.129) 8.025 7.259 ( 1.653 2.424 -1.177) 3.161 7.355 ( -1.162 -1.629 -3.936) 4.416 7.776 ( -0.127 0.767 -1.347) 1.556 7.782 ( 0.935 0.702 -0.821) 1.429 7.824 ( 1.498 -0.921 -0.238) 1.774 7.833 ( -0.886 -1.346 -2.510) 2.983 8.069 ( -0.624 0.002 0.258) 0.675 8.075 ( 0.143 -0.289 0.391) 0.507 8.110 ( 0.018 0.577 0.777) 0.968 8.130 ( 0.135 -0.246 -0.230) 0.363 ======================= Grid point 117 (67/87) ======================= q-point: (-0.29 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.273 ( 2.893 9.234 4.406) 10.632 0.527 ( -1.446 0.048 2.884) 3.227 0.568 ( -0.984 -0.805 1.870) 2.262 0.661 ( 3.623 -2.604 -0.486) 4.488 0.744 ( -3.643 1.982 2.667) 4.930 0.883 ( -5.392 -4.430 4.371) 8.234 0.967 ( 0.861 0.445 2.157) 2.365 1.002 ( -0.825 -1.601 0.399) 1.845 1.113 ( -0.548 0.054 -0.188) 0.582 1.148 ( -1.520 1.071 0.902) 2.066 1.165 ( 0.800 -0.144 -0.284) 0.861 1.250 ( 2.784 -3.031 -1.292) 4.313 1.336 ( 3.085 3.188 -0.390) 4.454 1.409 ( 1.269 2.523 4.786) 5.557 1.454 ( -2.415 0.784 4.212) 4.918 1.508 ( -0.476 1.652 -0.397) 1.764 1.589 ( 1.384 1.674 -0.709) 2.285 1.609 ( -0.020 -2.207 0.931) 2.395 1.622 ( 2.056 2.851 4.239) 5.507 1.668 ( -0.179 -0.936 0.548) 1.099 1.773 ( 1.640 -4.925 -0.705) 5.238 1.866 ( -0.209 -5.418 2.260) 5.874 1.931 ( -2.091 1.200 1.155) 2.673 1.961 ( -2.989 -0.399 -1.584) 3.407 2.077 ( -1.988 4.158 1.612) 4.883 2.176 ( -0.865 -0.905 1.315) 1.816 2.401 ( 2.529 1.260 -8.484) 8.942 2.458 ( 3.246 -1.116 -8.537) 9.201 2.736 ( -0.840 -0.089 1.402) 1.637 2.744 ( -0.338 -0.403 1.350) 1.449 2.802 ( -0.592 0.794 0.040) 0.991 2.823 ( 0.212 0.111 0.868) 0.900 2.963 ( -0.708 0.741 3.609) 3.751 2.998 ( -0.985 -0.699 3.977) 4.156 3.040 ( 0.856 0.740 -0.662) 1.311 3.066 ( 0.532 -0.397 0.293) 0.726 3.338 ( 0.620 1.082 -0.804) 1.484 3.391 ( 1.532 -1.311 -2.951) 3.575 3.463 ( 0.031 0.357 -3.129) 3.149 3.467 ( 0.210 0.310 -2.728) 2.754 5.326 ( 0.076 0.101 0.731) 0.742 5.336 ( -0.206 -0.350 0.103) 0.419 5.350 ( 0.005 0.413 -0.563) 0.699 5.366 ( 0.037 -0.235 -0.925) 0.955 6.832 ( -0.596 0.837 3.825) 3.960 6.861 ( -0.985 -0.404 2.046) 2.307 6.919 ( 0.666 0.435 -0.789) 1.120 6.941 ( 0.443 -0.530 -0.189) 0.716 7.063 ( -1.596 2.974 5.711) 6.634 7.214 ( 0.017 -1.551 -0.004) 1.551 7.317 ( 2.121 -1.524 -0.100) 2.614 7.323 ( 1.091 -1.303 -1.254) 2.112 7.766 ( -0.092 0.420 -0.990) 1.080 7.794 ( -0.137 -0.120 -1.708) 1.717 7.805 ( 0.316 0.363 -1.040) 1.146 7.850 ( 1.425 -0.931 -0.660) 1.825 8.062 ( -0.326 0.351 0.638) 0.798 8.083 ( 0.321 -0.633 0.714) 1.006 8.114 ( 0.019 0.518 0.605) 0.797 8.130 ( 0.001 -0.203 -0.438) 0.483 ======================= Grid point 118 (68/87) ======================= q-point: (-0.14 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.367 ( 4.472 6.821 2.595) 8.559 0.516 ( -1.068 2.796 3.104) 4.312 0.564 ( -0.172 -0.468 2.294) 2.347 0.689 ( -1.243 -2.367 0.741) 2.775 0.760 ( 2.925 -0.965 2.984) 4.288 0.813 ( -3.292 -5.890 3.962) 7.825 0.965 ( -2.053 0.799 -0.343) 2.230 1.000 ( 0.320 1.240 3.268) 3.510 1.116 ( -1.926 -0.936 0.606) 2.226 1.123 ( 1.239 -1.054 -0.265) 1.648 1.217 ( 3.851 0.916 1.319) 4.172 1.295 ( 1.612 -0.569 0.023) 1.709 1.369 ( -0.520 1.841 1.745) 2.590 1.417 ( 0.373 1.137 0.578) 1.329 1.459 ( -0.300 0.255 0.029) 0.395 1.502 ( -0.493 -1.332 2.989) 3.309 1.601 ( 0.267 -0.577 1.433) 1.568 1.633 ( 1.568 -1.686 1.171) 2.583 1.661 ( -1.035 2.569 3.022) 4.099 1.699 ( 3.771 2.665 1.572) 4.878 1.787 ( -0.254 -0.434 -1.475) 1.558 1.862 ( -0.910 -4.240 0.661) 4.386 1.895 ( -2.811 -0.090 -2.327) 3.650 1.921 ( 0.995 -1.076 -0.555) 1.567 2.045 ( -2.317 3.536 3.374) 5.408 2.162 ( -1.661 -1.780 2.944) 3.821 2.400 ( 2.094 1.446 -8.699) 9.063 2.465 ( 2.083 -1.247 -8.191) 8.543 2.730 ( -0.611 0.409 1.681) 1.835 2.748 ( 0.033 -0.096 1.181) 1.185 2.789 ( -0.674 0.617 0.168) 0.929 2.823 ( -0.655 -0.238 0.433) 0.820 2.971 ( -0.601 0.526 4.270) 4.344 2.999 ( -1.276 -0.547 4.529) 4.737 3.054 ( 0.903 0.653 -0.735) 1.335 3.080 ( 0.754 -0.352 -0.172) 0.850 3.345 ( 0.586 1.272 -0.806) 1.616 3.407 ( 1.371 -1.469 -2.269) 3.031 3.442 ( 0.100 0.452 -4.239) 4.264 3.456 ( 0.051 0.248 -2.695) 2.707 5.327 ( -0.507 0.089 0.618) 0.804 5.335 ( 0.093 -0.288 0.082) 0.314 5.348 ( 0.083 0.383 -0.510) 0.643 5.363 ( 0.139 -0.285 -0.739) 0.804 6.844 ( -0.448 0.428 4.028) 4.076 6.855 ( -0.787 -0.131 2.139) 2.283 6.924 ( 0.359 0.388 -0.872) 1.020 6.943 ( -0.053 -0.468 -0.265) 0.541 7.057 ( -2.028 3.203 5.144) 6.390 7.202 ( -0.657 -0.810 -1.317) 1.680 7.310 ( 0.924 -0.714 -3.496) 3.686 7.346 ( -1.814 -3.790 -0.173) 4.205 7.768 ( 0.742 0.261 -0.134) 0.798 7.785 ( 0.388 -0.551 -0.572) 0.883 7.822 ( 1.462 1.308 -1.067) 2.233 7.867 ( 0.730 -0.689 -1.180) 1.550 8.064 ( 0.143 0.483 0.995) 1.115 8.094 ( 0.348 -0.829 0.825) 1.220 8.117 ( -0.020 0.298 0.358) 0.466 8.126 ( -0.174 -0.142 -0.507) 0.554 ======================= Grid point 119 (69/87) ======================= q-point: ( 0.00 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.504 ( 0.342 -2.782 1.900) 3.386 0.504 ( 0.342 2.782 1.900) 3.386 0.627 ( -0.041 -2.925 0.749) 3.020 0.627 ( -0.041 2.925 0.749) 3.020 0.796 ( 3.271 -2.774 3.379) 5.460 0.796 ( 3.271 2.774 3.379) 5.460 0.961 ( -2.067 -3.226 -1.909) 4.281 0.961 ( -2.067 3.226 -1.909) 4.281 1.122 ( 1.464 -2.367 0.942) 2.938 1.122 ( 1.464 2.367 0.942) 2.938 1.310 ( 0.712 -1.079 1.802) 2.217 1.310 ( 0.712 1.079 1.802) 2.217 1.359 ( -3.443 -1.929 1.523) 4.230 1.359 ( -3.443 1.929 1.523) 4.230 1.485 ( 1.765 -0.904 -1.117) 2.275 1.485 ( 1.765 0.904 -1.117) 2.275 1.622 ( -1.520 -1.854 6.315) 6.755 1.622 ( -1.520 1.854 6.315) 6.755 1.733 ( -1.359 -2.314 0.914) 2.835 1.733 ( -1.359 2.314 0.914) 2.835 1.790 ( -0.487 -2.524 -1.379) 2.917 1.790 ( -0.487 2.524 -1.379) 2.917 1.913 ( 3.716 -2.880 -3.999) 6.172 1.913 ( 3.716 2.880 -3.999) 6.172 2.093 ( -1.712 -3.191 5.231) 6.362 2.093 ( -1.712 3.191 5.231) 6.362 2.423 ( 1.444 -1.757 -8.054) 8.369 2.423 ( 1.444 1.757 -8.054) 8.369 2.751 ( 0.332 -0.947 1.515) 1.817 2.751 ( 0.332 0.947 1.515) 1.817 2.790 ( -1.155 -1.003 0.274) 1.554 2.790 ( -1.155 1.003 0.274) 1.554 2.989 ( -1.042 -0.390 4.358) 4.497 2.989 ( -1.042 0.390 4.358) 4.497 3.078 ( 0.301 -0.777 -0.530) 0.988 3.078 ( 0.301 0.777 -0.530) 0.988 3.375 ( -0.472 -1.380 -0.580) 1.570 3.375 ( -0.472 1.380 -0.580) 1.570 3.446 ( 1.477 -0.832 -4.223) 4.550 3.446 ( 1.477 0.832 -4.223) 4.550 5.326 ( -0.416 -0.586 0.531) 0.893 5.326 ( -0.416 0.586 0.531) 0.893 5.357 ( 0.442 -0.316 -0.786) 0.955 5.357 ( 0.442 0.316 -0.786) 0.955 6.855 ( -0.837 -0.208 3.613) 3.714 6.855 ( -0.837 0.208 3.613) 3.714 6.929 ( -0.194 -0.349 -0.759) 0.858 6.929 ( -0.194 0.349 -0.759) 0.858 7.113 ( -3.178 -4.150 4.385) 6.823 7.113 ( -3.178 4.150 4.385) 6.823 7.291 ( 0.457 -2.192 -2.686) 3.496 7.291 ( 0.457 2.192 -2.686) 3.496 7.787 ( 0.694 -0.260 -0.197) 0.767 7.787 ( 0.694 0.260 -0.197) 0.767 7.855 ( 0.427 -0.496 -1.686) 1.809 7.855 ( 0.427 0.496 -1.686) 1.809 8.086 ( 0.172 -0.755 0.869) 1.164 8.086 ( 0.172 0.755 0.869) 1.164 8.117 ( -0.271 -0.238 -0.175) 0.400 8.117 ( -0.271 0.238 -0.175) 0.400 ======================= Grid point 121 (70/87) ======================= q-point: ( 0.14 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.523 ( 0.452 -1.021 1.783) 2.104 0.523 ( 0.452 1.021 1.783) 2.104 0.639 ( 0.574 -3.156 -0.547) 3.255 0.639 ( 0.574 3.156 -0.547) 3.255 0.835 ( -0.116 -0.299 -0.836) 0.896 0.835 ( -0.116 0.299 -0.836) 0.896 0.955 ( 2.597 -0.978 0.977) 2.942 0.955 ( 2.597 0.978 0.977) 2.942 1.151 ( 0.584 -2.732 0.149) 2.798 1.151 ( 0.584 2.732 0.149) 2.798 1.256 ( -4.034 -2.350 0.328) 4.680 1.256 ( -4.034 2.350 0.328) 4.680 1.357 ( -0.393 -4.388 3.683) 5.742 1.357 ( -0.393 4.388 3.683) 5.742 1.525 ( 3.006 -3.814 -2.337) 5.389 1.525 ( 3.006 3.814 -2.337) 5.389 1.587 ( -5.117 -2.958 6.239) 8.594 1.587 ( -5.117 2.958 6.239) 8.594 1.696 ( -2.523 -2.790 -1.179) 3.942 1.696 ( -2.523 2.790 -1.179) 3.942 1.781 ( -0.250 -0.950 0.618) 1.161 1.781 ( -0.250 0.950 0.618) 1.161 1.969 ( 4.275 -3.471 -3.898) 6.747 1.969 ( 4.275 3.471 -3.898) 6.747 2.102 ( -0.566 -2.439 5.408) 5.960 2.102 ( -0.566 2.439 5.408) 5.960 2.409 ( 1.474 -1.535 -7.761) 8.048 2.409 ( 1.474 1.535 -7.761) 8.048 2.766 ( 0.087 -1.130 0.840) 1.411 2.766 ( 0.087 1.130 0.840) 1.411 2.773 ( -0.639 -0.616 1.223) 1.511 2.773 ( -0.639 0.616 1.223) 1.511 2.989 ( -1.266 -0.200 3.879) 4.085 2.989 ( -1.266 0.200 3.879) 4.085 3.075 ( -0.360 -0.876 -0.224) 0.973 3.075 ( -0.360 0.876 -0.224) 0.973 3.357 ( -0.959 -0.360 -0.419) 1.107 3.357 ( -0.959 0.360 -0.419) 1.107 3.460 ( 2.047 -1.497 -4.001) 4.737 3.460 ( 2.047 1.497 -4.001) 4.737 5.321 ( -0.402 -0.808 0.481) 1.023 5.321 ( -0.402 0.808 0.481) 1.023 5.363 ( 0.582 -0.033 -0.722) 0.928 5.363 ( 0.582 0.033 -0.722) 0.928 6.856 ( -1.206 -0.616 4.417) 4.620 6.856 ( -1.206 0.616 4.417) 4.620 6.920 ( -0.306 -0.165 -0.966) 1.027 6.920 ( -0.306 0.165 -0.966) 1.027 7.078 ( -2.910 -2.458 5.216) 6.459 7.078 ( -2.910 2.458 5.216) 6.459 7.299 ( 1.485 -4.030 -1.782) 4.650 7.299 ( 1.485 4.030 -1.782) 4.650 7.792 ( -0.046 -0.298 -0.705) 0.767 7.792 ( -0.046 0.298 -0.705) 0.767 7.849 ( -0.043 -0.788 -1.727) 1.899 7.849 ( -0.043 0.788 -1.727) 1.899 8.089 ( -0.253 -0.393 0.457) 0.654 8.089 ( -0.253 0.393 0.457) 0.654 8.112 ( -0.125 -0.505 0.096) 0.529 8.112 ( -0.125 0.505 0.096) 0.529 ======================= Grid point 123 (71/87) ======================= q-point: ( 0.29 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.511 ( -3.776 -1.192 2.812) 4.856 0.511 ( -3.776 1.192 2.812) 4.856 0.637 ( 1.114 -6.158 -4.343) 7.618 0.637 ( 1.114 6.158 -4.343) 7.618 0.843 ( 1.810 -2.344 -0.534) 3.009 0.843 ( 1.810 2.344 -0.534) 3.009 1.021 ( 2.029 -2.472 2.162) 3.860 1.021 ( 2.029 2.472 2.162) 3.860 1.121 ( -2.761 -2.407 0.723) 3.734 1.121 ( -2.761 2.407 0.723) 3.734 1.219 ( 0.105 -3.766 -1.851) 4.198 1.219 ( 0.105 3.766 -1.851) 4.198 1.361 ( -1.599 -4.674 3.885) 6.284 1.361 ( -1.599 4.674 3.885) 6.284 1.514 ( -3.741 -2.695 4.180) 6.223 1.514 ( -3.741 2.695 4.180) 6.223 1.569 ( 1.461 -3.682 -1.213) 4.143 1.569 ( 1.461 3.682 -1.213) 4.143 1.643 ( -1.697 -2.652 -1.846) 3.650 1.643 ( -1.697 2.652 -1.846) 3.650 1.774 ( -1.558 -0.453 2.940) 3.358 1.774 ( -1.558 0.453 2.940) 3.358 2.027 ( 3.426 -3.618 -3.083) 5.860 2.027 ( 3.426 3.618 -3.083) 5.860 2.117 ( -0.544 -1.566 4.003) 4.332 2.117 ( -0.544 1.566 4.003) 4.332 2.401 ( 2.010 -1.078 -7.632) 7.965 2.401 ( 2.010 1.078 -7.632) 7.965 2.755 ( -0.886 -0.606 0.903) 1.402 2.755 ( -0.886 0.606 0.903) 1.402 2.787 ( 0.573 -0.719 1.367) 1.647 2.787 ( 0.573 0.719 1.367) 1.647 2.983 ( -1.330 -0.795 3.321) 3.664 2.983 ( -1.330 0.795 3.321) 3.664 3.064 ( -0.689 -0.890 0.127) 1.132 3.064 ( -0.689 0.890 0.127) 1.132 3.342 ( -0.283 -0.519 -0.424) 0.727 3.342 ( -0.283 0.519 -0.424) 0.727 3.475 ( 1.586 -1.800 -3.612) 4.336 3.475 ( 1.586 1.800 -3.612) 4.336 5.318 ( -0.139 -0.728 0.525) 0.908 5.318 ( -0.139 0.728 0.525) 0.908 5.369 ( 0.370 -0.282 -0.788) 0.915 5.369 ( 0.370 0.282 -0.788) 0.915 6.856 ( -1.359 -1.058 4.689) 4.995 6.856 ( -1.359 1.058 4.689) 4.995 6.911 ( -0.016 -0.295 -0.957) 1.002 6.911 ( -0.016 0.295 -0.957) 1.002 7.063 ( -1.728 -0.773 6.149) 6.434 7.063 ( -1.728 0.773 6.149) 6.434 7.318 ( 1.239 -4.799 -1.595) 5.207 7.318 ( 1.239 4.799 -1.595) 5.207 7.783 ( -0.176 -0.485 -0.909) 1.045 7.783 ( -0.176 0.485 -0.909) 1.045 7.837 ( -0.179 -1.596 -1.793) 2.407 7.837 ( -0.179 1.596 -1.793) 2.407 8.083 ( -0.483 -0.296 0.123) 0.580 8.083 ( -0.483 0.296 0.123) 0.580 8.114 ( 0.086 -0.686 0.386) 0.792 8.114 ( 0.086 0.686 0.386) 0.792 ======================= Grid point 125 (72/87) ======================= q-point: (-0.57 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.433 ( -4.834 -3.702 3.444) 6.996 0.433 ( -4.834 3.702 3.444) 6.996 0.632 ( 0.194 -5.852 -4.351) 7.295 0.632 ( 0.194 5.852 -4.351) 7.295 0.880 ( 1.847 -2.796 -0.000) 3.351 0.880 ( 1.847 2.796 -0.000) 3.351 1.016 ( -2.975 -2.373 2.058) 4.326 1.016 ( -2.975 2.373 2.058) 4.326 1.112 ( 0.336 -0.973 1.506) 1.824 1.112 ( 0.336 0.973 1.506) 1.824 1.221 ( 1.234 -2.162 -3.134) 4.002 1.221 ( 1.234 2.162 -3.134) 4.002 1.329 ( -3.055 -1.700 4.033) 5.338 1.329 ( -3.055 1.700 4.033) 5.338 1.503 ( 0.909 -2.908 1.917) 3.600 1.503 ( 0.909 2.908 1.917) 3.600 1.575 ( 0.066 -0.113 -1.769) 1.774 1.575 ( 0.066 0.113 -1.769) 1.774 1.622 ( -0.806 -2.716 1.758) 3.334 1.622 ( -0.806 2.716 1.758) 3.334 1.756 ( -1.926 -1.893 3.460) 4.389 1.756 ( -1.926 1.893 3.460) 4.389 2.045 ( -0.390 -2.359 -1.805) 2.995 2.045 ( -0.390 2.359 -1.805) 2.995 2.134 ( 0.811 -1.768 1.890) 2.712 2.134 ( 0.811 1.768 1.890) 2.712 2.405 ( 2.628 -0.585 -7.797) 8.249 2.405 ( 2.628 0.585 -7.797) 8.249 2.746 ( -0.741 -0.527 1.410) 1.678 2.746 ( -0.741 0.527 1.410) 1.678 2.803 ( 0.540 -0.358 0.797) 1.027 2.803 ( 0.540 0.358 0.797) 1.027 2.976 ( -1.041 -1.085 2.991) 3.347 2.976 ( -1.041 1.085 2.991) 3.347 3.053 ( -0.553 -0.756 0.350) 1.000 3.053 ( -0.553 0.756 0.350) 1.000 3.342 ( 0.522 -1.071 -0.634) 1.349 3.342 ( 0.522 1.071 -0.634) 1.349 3.481 ( 0.983 -1.540 -3.282) 3.757 3.481 ( 0.983 1.540 -3.282) 3.757 5.321 ( 0.087 -0.570 0.648) 0.868 5.321 ( 0.087 0.570 0.648) 0.868 5.368 ( 0.107 -0.444 -0.970) 1.072 5.368 ( 0.107 0.444 -0.970) 1.072 6.854 ( -1.278 -1.302 4.129) 4.514 6.854 ( -1.278 1.302 4.129) 4.514 6.911 ( 0.470 -0.500 -0.748) 1.015 6.911 ( 0.470 0.500 -0.748) 1.015 7.077 ( -0.554 -1.036 7.097) 7.193 7.077 ( -0.554 1.036 7.097) 7.193 7.322 ( 0.302 -4.225 -2.336) 4.838 7.322 ( 0.302 4.225 -2.336) 4.838 7.783 ( 0.654 -0.711 -0.672) 1.177 7.783 ( 0.654 0.711 -0.672) 1.177 7.823 ( -0.367 -1.760 -1.929) 2.637 7.823 ( -0.367 1.760 -1.929) 2.637 8.075 ( -0.404 -0.168 0.182) 0.473 8.075 ( -0.404 0.168 0.182) 0.473 8.118 ( 0.155 -0.651 0.346) 0.754 8.118 ( 0.155 0.651 0.346) 0.754 ======================= Grid point 127 (73/87) ======================= q-point: (-0.43 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.402 ( -0.407 -7.783 4.632) 9.066 0.402 ( -0.407 7.783 4.632) 9.066 0.602 ( -0.930 -3.942 -2.214) 4.616 0.602 ( -0.930 3.942 -2.214) 4.616 0.893 ( -2.172 -4.181 0.375) 4.726 0.893 ( -2.172 4.181 0.375) 4.726 0.966 ( -1.867 -2.734 2.339) 4.054 0.966 ( -1.867 2.734 2.339) 4.054 1.128 ( 0.766 -1.262 0.672) 1.622 1.128 ( 0.766 1.262 0.672) 1.622 1.202 ( -1.398 -1.332 -2.139) 2.882 1.202 ( -1.398 1.332 -2.139) 2.882 1.339 ( 1.825 -2.516 3.539) 4.710 1.339 ( 1.825 2.516 3.539) 4.710 1.540 ( -0.027 -1.980 0.196) 1.990 1.540 ( -0.027 1.980 0.196) 1.990 1.569 ( 1.992 -2.882 -1.063) 3.662 1.569 ( 1.992 2.882 -1.063) 3.662 1.619 ( -0.723 -1.785 3.082) 3.634 1.619 ( -0.723 1.785 3.082) 3.634 1.745 ( -1.171 -3.836 3.720) 5.470 1.745 ( -1.171 3.836 3.720) 5.470 2.007 ( -2.541 -1.315 -0.867) 2.989 2.007 ( -2.541 1.315 -0.867) 2.989 2.153 ( 0.119 -2.118 0.844) 2.283 2.153 ( 0.119 2.118 0.844) 2.283 2.417 ( 3.028 -1.056 -8.152) 8.760 2.417 ( 3.028 1.056 -8.152) 8.760 2.741 ( -0.654 -0.360 1.564) 1.733 2.741 ( -0.654 0.360 1.564) 1.733 2.815 ( 0.304 -0.067 0.394) 0.503 2.815 ( 0.304 0.067 0.394) 0.503 2.976 ( -0.655 -0.987 3.096) 3.314 2.976 ( -0.655 0.987 3.096) 3.314 3.049 ( -0.025 -0.682 0.250) 0.727 3.049 ( -0.025 0.682 0.250) 0.727 3.352 ( 0.931 -1.323 -1.168) 1.995 3.352 ( 0.931 1.323 -1.168) 1.995 3.479 ( 0.521 -0.759 -3.068) 3.203 3.479 ( 0.521 0.759 -3.068) 3.203 5.327 ( 0.097 -0.474 0.689) 0.842 5.327 ( 0.097 0.474 0.689) 0.842 5.364 ( -0.006 -0.468 -1.048) 1.148 5.364 ( -0.006 0.468 -1.048) 1.148 6.851 ( -1.048 -1.185 3.243) 3.609 6.851 ( -1.048 1.185 3.243) 3.609 6.919 ( 0.714 -0.600 -0.520) 1.068 6.919 ( 0.714 0.600 -0.520) 1.068 7.112 ( 0.110 -3.214 7.214) 7.898 7.112 ( 0.110 3.214 7.214) 7.898 7.311 ( 0.240 -2.688 -2.927) 3.981 7.311 ( 0.240 2.688 -2.927) 3.981 7.795 ( 0.478 -0.423 -1.486) 1.618 7.795 ( 0.478 0.423 -1.486) 1.618 7.807 ( 0.240 -0.295 -1.006) 1.075 7.807 ( 0.240 0.295 -1.006) 1.075 8.071 ( -0.251 -0.182 0.421) 0.523 8.071 ( -0.251 0.182 0.421) 0.523 8.122 ( 0.117 -0.561 0.163) 0.596 8.122 ( 0.117 0.561 0.163) 0.596 ======================= Grid point 129 (74/87) ======================= q-point: (-0.29 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.445 ( 1.718 -7.441 3.561) 8.426 0.445 ( 1.718 7.441 3.561) 8.426 0.600 ( 1.756 -2.750 -0.033) 3.263 0.600 ( 1.756 2.750 -0.033) 3.263 0.800 ( -6.637 -3.663 2.688) 8.043 0.800 ( -6.637 3.663 2.688) 8.043 0.981 ( 0.943 -0.842 1.858) 2.247 0.981 ( 0.943 0.842 1.858) 2.247 1.128 ( -1.356 -1.396 0.248) 1.962 1.128 ( -1.356 1.396 0.248) 1.962 1.195 ( 2.167 -2.222 -1.089) 3.290 1.195 ( 2.167 2.222 -1.089) 3.290 1.400 ( 2.477 -2.742 1.959) 4.182 1.400 ( 2.477 2.742 1.959) 4.182 1.507 ( -3.374 -3.555 3.547) 6.049 1.507 ( -3.374 3.555 3.547) 6.049 1.587 ( -0.093 -1.922 -0.903) 2.125 1.587 ( -0.093 1.922 -0.903) 2.125 1.669 ( 4.857 -3.601 -0.603) 6.076 1.669 ( 4.857 3.601 -0.603) 6.076 1.751 ( -0.423 -5.464 4.173) 6.888 1.751 ( -0.423 5.464 4.173) 6.888 1.950 ( -3.017 -0.726 -0.360) 3.124 1.950 ( -3.017 0.726 -0.360) 3.124 2.143 ( -1.572 -2.510 1.168) 3.183 2.143 ( -1.572 2.510 1.168) 3.183 2.430 ( 2.856 -1.595 -8.364) 8.981 2.430 ( 2.856 1.595 -8.364) 8.981 2.737 ( -0.476 -0.219 1.509) 1.598 2.737 ( -0.476 0.219 1.509) 1.598 2.818 ( -0.196 -0.670 0.256) 0.743 2.818 ( -0.196 0.670 0.256) 0.743 2.981 ( -0.789 -0.970 3.706) 3.911 2.981 ( -0.789 0.970 3.706) 3.911 3.055 ( 0.689 -0.727 -0.223) 1.026 3.055 ( 0.689 0.727 -0.223) 1.026 3.364 ( 1.093 -1.459 -1.644) 2.455 3.364 ( 1.093 1.459 -1.644) 2.455 3.469 ( 0.126 -0.135 -3.095) 3.101 3.469 ( 0.126 0.135 -3.095) 3.101 5.330 ( -0.089 -0.267 0.528) 0.598 5.330 ( -0.089 0.267 0.528) 0.598 5.359 ( 0.035 -0.418 -0.863) 0.960 5.359 ( 0.035 0.418 -0.863) 0.960 6.849 ( -0.767 -0.779 2.755) 2.964 6.849 ( -0.767 0.779 2.755) 2.964 6.929 ( 0.542 -0.598 -0.447) 0.923 6.929 ( 0.542 0.598 -0.447) 0.923 7.143 ( -0.663 -4.794 5.509) 7.333 7.143 ( -0.663 4.794 5.509) 7.333 7.307 ( 0.818 -0.605 -2.725) 2.909 7.307 ( 0.818 0.605 -2.725) 2.909 7.780 ( -0.442 -0.874 -1.398) 1.707 7.780 ( -0.442 0.874 -1.398) 1.707 7.827 ( 1.505 -1.338 -0.781) 2.160 7.827 ( 1.505 1.338 -0.781) 2.160 8.071 ( -0.024 -0.569 0.728) 0.924 8.071 ( -0.024 0.569 0.728) 0.924 8.124 ( 0.006 -0.424 -0.027) 0.425 8.124 ( 0.006 0.424 -0.027) 0.425 ======================= Grid point 131 (75/87) ======================= q-point: (-0.14 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.484 ( 0.837 -4.162 2.195) 4.780 0.484 ( 0.837 4.162 2.195) 4.780 0.638 ( 0.016 -4.064 0.619) 4.111 0.638 ( 0.016 4.064 0.619) 4.111 0.730 ( -0.505 -1.271 3.967) 4.196 0.730 ( -0.505 1.271 3.967) 4.196 0.996 ( -0.485 -1.545 0.373) 1.662 0.996 ( -0.485 1.545 0.373) 1.662 1.106 ( -0.679 -0.314 1.094) 1.325 1.106 ( -0.679 0.314 1.094) 1.325 1.252 ( 3.659 -2.646 -0.030) 4.516 1.252 ( 3.659 2.646 -0.030) 4.516 1.421 ( -2.200 -1.606 1.018) 2.908 1.421 ( -2.200 1.606 1.018) 2.908 1.472 ( -0.869 -1.381 2.013) 2.591 1.472 ( -0.869 1.381 2.013) 2.591 1.596 ( 0.736 -0.763 2.869) 3.058 1.596 ( 0.736 0.763 2.869) 3.058 1.737 ( 1.012 -2.653 0.838) 2.960 1.737 ( 1.012 2.653 0.838) 2.960 1.778 ( 2.399 -2.899 -0.292) 3.774 1.778 ( 2.399 2.899 -0.292) 3.774 1.899 ( -1.479 -0.802 -0.678) 1.813 1.899 ( -1.479 0.802 -0.678) 1.813 2.113 ( -2.421 -3.116 2.762) 4.817 2.113 ( -2.421 3.116 2.762) 4.817 2.434 ( 2.076 -1.802 -8.312) 8.755 2.434 ( 2.076 1.802 -8.312) 8.755 2.740 ( -0.043 -0.581 1.508) 1.616 2.740 ( -0.043 0.581 1.508) 1.616 2.809 ( -0.848 -1.089 0.172) 1.391 2.809 ( -0.848 1.089 0.172) 1.391 2.985 ( -0.984 -0.787 4.334) 4.513 2.985 ( -0.984 0.787 4.334) 4.513 3.069 ( 0.865 -0.720 -0.576) 1.265 3.069 ( 0.865 0.720 -0.576) 1.265 3.375 ( 0.903 -1.685 -1.422) 2.382 3.375 ( 0.903 1.685 -1.422) 2.382 3.453 ( 0.138 -0.503 -3.553) 3.591 3.453 ( 0.138 0.503 -3.553) 3.591 5.330 ( -0.209 -0.219 0.462) 0.552 5.330 ( -0.209 0.219 0.462) 0.552 5.356 ( 0.110 -0.404 -0.750) 0.859 5.356 ( 0.110 0.404 -0.750) 0.859 6.851 ( -0.637 -0.295 2.930) 3.013 6.851 ( -0.637 0.295 2.930) 3.013 6.933 ( 0.157 -0.520 -0.543) 0.768 6.933 ( 0.157 0.520 -0.543) 0.768 7.141 ( -2.045 -4.837 4.066) 6.641 7.141 ( -2.045 4.837 4.066) 6.641 7.303 ( 0.147 -0.619 -2.890) 2.959 7.303 ( 0.147 0.619 -2.890) 2.959 7.775 ( 0.488 -0.443 -0.357) 0.749 7.775 ( 0.488 0.443 -0.357) 0.749 7.848 ( 1.185 -1.201 -1.320) 2.142 7.848 ( 1.185 1.201 -1.320) 2.142 8.077 ( 0.214 -0.798 0.935) 1.248 8.077 ( 0.214 0.798 0.935) 1.248 8.122 ( -0.145 -0.219 -0.152) 0.303 8.122 ( -0.145 0.219 -0.152) 0.303 ======================= Grid point 140 (76/87) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.496 ( -4.012 0.000 -1.975) 4.472 0.496 ( 4.012 0.000 1.975) 4.472 0.631 ( 1.384 0.000 -3.501) 3.765 0.631 ( -1.384 0.000 3.501) 3.765 0.848 ( 0.626 0.000 -4.330) 4.375 0.848 ( -0.626 0.000 4.330) 4.375 1.027 ( -2.379 0.000 -1.143) 2.639 1.027 ( 2.379 0.000 1.143) 2.639 1.113 ( 4.546 0.000 -3.403) 5.679 1.113 ( -4.546 0.000 3.403) 5.679 1.332 ( -0.102 0.000 -5.584) 5.585 1.332 ( 0.102 0.000 5.584) 5.585 1.362 ( -3.086 0.000 -0.539) 3.133 1.362 ( 3.086 0.000 0.539) 3.133 1.477 ( 1.524 0.000 -2.763) 3.156 1.477 ( -1.524 0.000 2.763) 3.156 1.674 ( -0.432 0.000 -2.801) 2.834 1.674 ( 0.432 0.000 2.801) 2.834 1.725 ( -2.034 0.000 -3.644) 4.173 1.725 ( 2.034 0.000 3.644) 4.173 1.764 ( -0.350 0.000 -0.896) 0.962 1.764 ( 0.350 0.000 0.896) 0.962 1.894 ( 4.495 0.000 -3.039) 5.426 1.894 ( -4.495 0.000 3.039) 5.426 2.179 ( 2.572 0.000 -10.528) 10.838 2.179 ( -2.572 0.000 10.528) 10.838 2.307 ( 1.749 0.000 -8.319) 8.500 2.307 ( -1.749 0.000 8.319) 8.500 2.747 ( 0.099 0.000 -0.547) 0.556 2.747 ( -0.099 0.000 0.547) 0.556 2.804 ( -1.004 0.000 -0.556) 1.148 2.804 ( 1.004 0.000 0.556) 1.148 3.040 ( 0.411 0.000 -1.674) 1.723 3.040 ( -0.411 0.000 1.674) 1.723 3.070 ( 0.990 0.000 -2.459) 2.651 3.070 ( -0.990 0.000 2.459) 2.651 3.352 ( -0.007 0.000 -2.100) 2.100 3.352 ( 0.007 0.000 2.100) 2.100 3.413 ( 2.314 0.000 -1.345) 2.677 3.413 ( -2.314 0.000 1.345) 2.677 5.328 ( 1.037 0.000 -0.962) 1.414 5.328 ( -1.037 0.000 0.962) 1.414 5.354 ( 0.135 0.000 -0.558) 0.574 5.354 ( -0.135 0.000 0.558) 0.574 6.892 ( 0.341 0.000 -1.793) 1.825 6.892 ( -0.341 0.000 1.793) 1.825 6.919 ( -0.538 0.000 -1.837) 1.914 6.919 ( 0.538 0.000 1.837) 1.914 7.112 ( 0.906 0.000 -4.434) 4.525 7.112 ( -0.906 0.000 4.434) 4.525 7.307 ( 4.982 0.000 -1.785) 5.292 7.307 ( -4.982 0.000 1.785) 5.292 7.782 ( -0.242 0.000 -0.343) 0.419 7.782 ( 0.242 0.000 0.343) 0.419 7.843 ( -1.290 0.000 -0.745) 1.489 7.843 ( 1.290 0.000 0.745) 1.489 8.091 ( -0.423 0.000 -1.009) 1.094 8.091 ( 0.423 0.000 1.009) 1.094 8.124 ( 0.278 0.000 -0.227) 0.359 8.124 ( -0.278 0.000 0.227) 0.359 ======================= Grid point 142 (77/87) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.389 ( -3.700 0.000 -7.015) 7.930 0.532 ( 0.672 0.000 -1.876) 1.993 0.645 ( -0.967 0.000 4.612) 4.712 0.659 ( 3.131 0.000 -3.469) 4.673 0.845 ( 1.118 0.000 -3.946) 4.101 0.866 ( -0.427 0.000 5.976) 5.991 0.978 ( -1.447 0.000 -1.550) 2.121 1.069 ( -1.406 0.000 2.528) 2.893 1.073 ( 2.531 0.000 -2.256) 3.390 1.179 ( 3.437 0.000 -2.479) 4.238 1.251 ( -4.187 0.000 -2.941) 5.117 1.314 ( -4.192 0.000 4.068) 5.841 1.330 ( 0.388 0.000 -3.915) 3.935 1.404 ( 0.054 0.000 1.801) 1.802 1.466 ( -1.610 0.000 -2.506) 2.979 1.484 ( 1.239 0.000 2.447) 2.743 1.629 ( -2.925 0.000 0.531) 2.973 1.651 ( -2.902 0.000 -1.685) 3.356 1.692 ( 0.427 0.000 0.037) 0.429 1.738 ( -1.294 0.000 -2.295) 2.635 1.787 ( 2.006 0.000 0.254) 2.022 1.819 ( 3.323 0.000 2.939) 4.436 1.850 ( -1.190 0.000 2.915) 3.149 1.964 ( 4.291 0.000 -2.859) 5.157 2.177 ( 3.135 0.000 -10.407) 10.869 2.187 ( -2.544 0.000 10.701) 10.999 2.291 ( 1.029 0.000 -7.722) 7.790 2.308 ( -2.928 0.000 8.865) 9.336 2.750 ( 0.525 0.000 -0.707) 0.880 2.752 ( 0.335 0.000 0.316) 0.460 2.786 ( -0.649 0.000 0.021) 0.649 2.823 ( 0.610 0.000 0.556) 0.825 3.030 ( -1.423 0.000 1.403) 1.999 3.031 ( -0.195 0.000 -2.085) 2.094 3.065 ( -0.773 0.000 2.269) 2.397 3.073 ( 0.549 0.000 -2.211) 2.278 3.343 ( 0.234 0.000 -2.174) 2.186 3.364 ( -0.206 0.000 1.763) 1.775 3.380 ( -1.442 0.000 1.880) 2.370 3.446 ( 1.793 0.000 -1.217) 2.166 5.318 ( -0.521 0.000 1.046) 1.169 5.342 ( 0.784 0.000 -1.001) 1.271 5.353 ( -0.305 0.000 0.628) 0.699 5.353 ( 0.241 0.000 -0.570) 0.619 6.888 ( 0.036 0.000 -1.595) 1.595 6.893 ( -0.649 0.000 1.915) 2.022 6.899 ( -0.272 0.000 -1.843) 1.863 6.934 ( 0.032 0.000 1.572) 1.573 7.115 ( 1.700 0.000 -4.071) 4.411 7.129 ( 0.045 0.000 4.909) 4.909 7.238 ( -3.908 0.000 4.386) 5.874 7.390 ( 3.620 0.000 -0.077) 3.621 7.771 ( -0.592 0.000 -0.514) 0.784 7.783 ( -0.258 0.000 0.228) 0.344 7.809 ( -1.574 0.000 -1.033) 1.883 7.860 ( 0.220 0.000 0.217) 0.309 8.078 ( -0.419 0.000 -0.868) 0.964 8.101 ( 0.050 0.000 0.857) 0.859 8.118 ( -0.413 0.000 0.213) 0.465 8.126 ( 0.089 0.000 -0.450) 0.459 ======================= Grid point 143 (78/87) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.319 ( 1.394 0.000 -9.272) 9.376 0.537 ( -0.241 0.000 -0.357) 0.431 0.602 ( -4.392 0.000 4.302) 6.148 0.708 ( 4.439 0.000 -5.905) 7.387 0.833 ( -0.491 0.000 -4.409) 4.437 0.882 ( -1.776 0.000 6.389) 6.631 0.979 ( 0.972 0.000 2.019) 2.241 1.078 ( -0.163 0.000 -5.045) 5.048 1.084 ( 1.803 0.000 1.284) 2.213 1.156 ( -2.109 0.000 -1.869) 2.818 1.234 ( 2.088 0.000 -4.278) 4.761 1.243 ( -4.713 0.000 3.269) 5.736 1.335 ( 1.811 0.000 -2.751) 3.293 1.390 ( -2.884 0.000 3.840) 4.803 1.418 ( -1.072 0.000 -2.271) 2.511 1.519 ( 0.664 0.000 1.129) 1.310 1.584 ( -2.372 0.000 1.652) 2.891 1.589 ( -2.095 0.000 -1.888) 2.820 1.698 ( -0.725 0.000 -1.956) 2.086 1.712 ( 0.968 0.000 0.237) 0.996 1.818 ( 0.425 0.000 2.323) 2.362 1.846 ( -0.071 0.000 -0.114) 0.134 1.906 ( 3.463 0.000 2.815) 4.463 2.017 ( 2.775 0.000 -3.400) 4.389 2.188 ( 3.899 0.000 -11.095) 11.760 2.193 ( -2.662 0.000 10.713) 11.039 2.269 ( 0.824 0.000 -6.939) 6.988 2.290 ( -3.925 0.000 9.264) 10.061 2.755 ( 0.248 0.000 -0.570) 0.622 2.760 ( 0.296 0.000 -0.043) 0.300 2.786 ( 0.457 0.000 0.739) 0.869 2.830 ( -0.150 0.000 0.267) 0.307 3.008 ( -1.552 0.000 1.557) 2.198 3.015 ( -0.345 0.000 -2.104) 2.132 3.064 ( -0.506 0.000 1.614) 1.691 3.069 ( 0.171 0.000 -1.839) 1.847 3.338 ( 0.390 0.000 -2.142) 2.177 3.349 ( -1.389 0.000 1.670) 2.172 3.396 ( 0.941 0.000 2.242) 2.431 3.463 ( 0.633 0.000 -1.322) 1.465 5.320 ( -0.009 0.000 1.116) 1.116 5.343 ( -0.046 0.000 -0.951) 0.952 5.351 ( -0.260 0.000 0.813) 0.854 5.359 ( 0.486 0.000 -0.849) 0.979 6.876 ( -0.054 0.000 -1.741) 1.742 6.888 ( -0.941 0.000 1.940) 2.156 6.896 ( 0.690 0.000 -1.325) 1.494 6.935 ( -0.654 0.000 1.255) 1.415 7.129 ( 1.984 0.000 -4.231) 4.673 7.156 ( -0.332 0.000 4.372) 4.384 7.214 ( -1.256 0.000 6.885) 6.999 7.414 ( -0.934 0.000 -1.829) 2.053 7.759 ( -0.263 0.000 -0.423) 0.498 7.776 ( -0.546 0.000 0.165) 0.570 7.791 ( 0.301 0.000 -0.074) 0.310 7.856 ( -0.527 0.000 -0.335) 0.625 8.069 ( -0.017 0.000 -0.555) 0.555 8.097 ( -0.638 0.000 -0.034) 0.639 8.117 ( -0.056 0.000 0.921) 0.923 8.124 ( 0.080 0.000 -0.606) 0.612 ======================= Grid point 144 (79/87) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.350 ( 6.230 0.000 -7.714) 9.916 0.453 ( -7.434 0.000 4.251) 8.563 0.632 ( 3.241 0.000 4.838) 5.823 0.722 ( -1.304 0.000 -7.392) 7.506 0.810 ( 2.848 0.000 -4.518) 5.341 0.859 ( -4.067 0.000 6.194) 7.410 1.010 ( 0.291 0.000 4.872) 4.880 1.043 ( -0.066 0.000 -6.324) 6.324 1.137 ( 1.291 0.000 -1.976) 2.360 1.143 ( 3.268 0.000 1.251) 3.499 1.180 ( -3.635 0.000 2.899) 4.650 1.214 ( -2.302 0.000 -2.383) 3.313 1.351 ( 1.557 0.000 -4.230) 4.508 1.358 ( -2.146 0.000 4.377) 4.875 1.429 ( 3.585 0.000 -3.151) 4.773 1.493 ( -4.204 0.000 3.374) 5.390 1.564 ( -0.115 0.000 0.091) 0.147 1.569 ( -0.000 0.000 -0.596) 0.596 1.700 ( 1.499 0.000 -1.700) 2.267 1.718 ( -0.744 0.000 0.918) 1.182 1.831 ( -0.334 0.000 2.657) 2.678 1.839 ( -0.014 0.000 -1.718) 1.718 1.979 ( 2.583 0.000 2.863) 3.856 2.024 ( -0.215 0.000 -3.378) 3.385 2.201 ( -2.539 0.000 11.044) 11.332 2.203 ( 3.876 0.000 -12.183) 12.784 2.254 ( 1.455 0.000 -6.498) 6.659 2.263 ( -3.623 0.000 8.573) 9.307 2.757 ( 0.187 0.000 0.048) 0.194 2.761 ( -0.066 0.000 -0.254) 0.262 2.804 ( 0.895 0.000 0.661) 1.112 2.822 ( -0.692 0.000 -0.220) 0.726 2.994 ( -0.713 0.000 1.748) 1.888 2.999 ( -0.101 0.000 -1.927) 1.929 3.063 ( -0.385 0.000 1.222) 1.281 3.063 ( 0.221 0.000 -1.379) 1.397 3.335 ( 0.521 0.000 -2.036) 2.101 3.337 ( -0.819 0.000 1.891) 2.060 3.428 ( 1.157 0.000 2.065) 2.367 3.455 ( -0.573 0.000 -1.677) 1.772 5.327 ( 0.113 0.000 1.095) 1.101 5.335 ( -0.165 0.000 -1.044) 1.057 5.353 ( 0.027 0.000 1.005) 1.006 5.359 ( 0.070 0.000 -1.000) 1.002 6.872 ( 0.616 0.000 -1.793) 1.896 6.879 ( -1.007 0.000 1.879) 2.132 6.908 ( 1.108 0.000 -1.065) 1.537 6.924 ( -1.112 0.000 1.060) 1.536 7.144 ( 1.939 0.000 -4.595) 4.988 7.155 ( -1.795 0.000 4.588) 4.926 7.264 ( 2.126 0.000 6.926) 7.245 7.350 ( -3.204 0.000 -5.154) 6.069 7.758 ( 0.257 0.000 -0.088) 0.272 7.766 ( -0.555 0.000 0.080) 0.561 7.812 ( 1.295 0.000 0.893) 1.573 7.839 ( -0.962 0.000 -0.816) 1.262 8.072 ( 0.461 0.000 -0.130) 0.479 8.083 ( -0.693 0.000 -0.137) 0.706 8.121 ( -0.096 0.000 0.895) 0.900 8.123 ( 0.124 0.000 -0.735) 0.746 ======================= Grid point 148 (80/87) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 58 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.514 ( -1.815 1.434 -2.436) 3.359 0.514 ( 1.815 1.434 2.436) 3.359 0.636 ( -0.572 0.026 -2.912) 2.968 0.636 ( 0.572 0.026 2.912) 2.968 0.827 ( 0.071 -0.925 -2.330) 2.508 0.827 ( -0.071 -0.925 2.330) 2.508 0.989 ( -2.342 -3.190 -2.747) 4.817 0.989 ( 2.342 -3.190 2.747) 4.817 1.124 ( 2.016 0.630 -2.019) 2.921 1.124 ( -2.016 0.630 2.019) 2.921 1.328 ( -1.458 -0.285 -2.278) 2.719 1.328 ( 1.458 -0.285 2.278) 2.719 1.371 ( 2.510 0.763 -3.261) 4.185 1.371 ( -2.510 0.763 3.261) 4.185 1.468 ( 0.001 -0.813 -1.772) 1.950 1.468 ( -0.001 -0.813 1.772) 1.950 1.683 ( -0.029 0.782 -2.951) 3.053 1.683 ( 0.029 0.782 2.951) 3.053 1.745 ( 0.048 1.399 -2.551) 2.910 1.745 ( -0.048 1.399 2.551) 2.910 1.761 ( -1.903 0.145 -0.429) 1.956 1.761 ( 1.903 0.145 0.429) 1.956 1.879 ( 1.769 -1.401 -2.677) 3.501 1.879 ( -1.769 -1.401 2.677) 3.501 2.200 ( 2.374 1.947 -10.116) 10.571 2.200 ( -2.374 1.947 10.116) 10.571 2.291 ( 1.822 -1.555 -8.481) 8.813 2.291 ( -1.822 -1.555 8.481) 8.813 2.756 ( -0.128 0.778 -0.615) 1.000 2.756 ( 0.128 0.778 0.615) 1.000 2.799 ( -0.849 -0.554 -0.684) 1.223 2.799 ( 0.849 -0.554 0.684) 1.223 3.045 ( 0.492 0.443 -1.861) 1.975 3.045 ( -0.492 0.443 1.861) 1.975 3.066 ( 0.914 -0.418 -2.408) 2.609 3.066 ( -0.914 -0.418 2.408) 2.609 3.362 ( -0.055 0.914 -1.956) 2.160 3.362 ( 0.055 0.914 1.956) 2.160 3.405 ( 0.730 -0.728 -1.319) 1.673 3.405 ( -0.730 -0.728 1.319) 1.673 5.331 ( 0.809 0.267 -0.853) 1.205 5.331 ( -0.809 0.267 0.853) 1.205 5.350 ( 0.202 -0.336 -0.568) 0.689 5.350 ( -0.202 -0.336 0.568) 0.689 6.896 ( 0.230 0.380 -1.803) 1.857 6.896 ( -0.230 0.380 1.803) 1.857 6.915 ( -0.374 -0.377 -1.819) 1.895 6.915 ( 0.374 -0.377 1.819) 1.895 7.134 ( 1.139 1.997 -3.927) 4.550 7.134 ( -1.139 1.997 3.927) 4.550 7.286 ( 2.898 -1.982 -1.854) 3.970 7.286 ( -2.898 -1.982 1.854) 3.970 7.785 ( -0.178 0.208 -0.331) 0.430 7.785 ( 0.178 0.208 0.331) 0.430 7.840 ( -0.936 -0.272 -0.612) 1.150 7.840 ( 0.936 -0.272 0.612) 1.150 8.093 ( -0.349 0.179 -0.826) 0.914 8.093 ( 0.349 0.179 0.826) 0.914 8.120 ( -0.019 -0.389 -0.283) 0.482 8.120 ( 0.019 -0.389 0.283) 0.482 ======================= Grid point 150 (81/87) ======================= q-point: ( 0.14 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.450 ( -2.201 5.131 -5.042) 7.523 0.555 ( 0.994 1.469 -0.626) 1.881 0.605 ( -0.426 -1.463 -0.738) 1.693 0.663 ( 0.549 -1.095 1.373) 1.840 0.824 ( -0.581 -2.071 -2.633) 3.400 0.845 ( 1.142 -2.495 1.152) 2.976 0.955 ( 0.984 -0.592 -0.487) 1.247 1.039 ( 1.717 -2.037 1.201) 2.922 1.100 ( -0.399 1.571 -1.014) 1.912 1.168 ( 2.781 -1.163 -2.177) 3.719 1.244 ( -4.474 -0.345 -1.790) 4.831 1.293 ( -4.311 -2.596 0.296) 5.041 1.350 ( -1.651 2.986 2.714) 4.360 1.423 ( 1.923 2.320 -0.924) 3.151 1.461 ( 1.536 -1.340 0.592) 2.123 1.506 ( 0.943 1.053 -0.491) 1.497 1.633 ( -3.017 0.214 -1.031) 3.196 1.648 ( -3.169 -0.880 -0.255) 3.298 1.679 ( -2.687 0.270 -0.433) 2.735 1.733 ( -3.068 -0.779 2.925) 4.310 1.783 ( 2.317 0.287 -1.858) 2.984 1.834 ( 1.681 -0.818 1.814) 2.605 1.853 ( 1.973 1.927 1.181) 3.001 1.948 ( 4.270 -1.622 -2.882) 5.401 2.196 ( 2.817 1.794 -9.636) 10.198 2.209 ( -2.230 1.972 9.625) 10.075 2.278 ( 1.319 -1.249 -7.638) 7.851 2.294 ( -2.709 -1.376 8.826) 9.334 2.752 ( 0.110 0.367 -0.434) 0.579 2.763 ( 0.237 0.553 -0.379) 0.711 2.785 ( -0.264 0.104 0.376) 0.471 2.817 ( 0.542 -0.682 0.860) 1.224 3.030 ( -1.090 0.334 0.111) 1.146 3.042 ( -0.444 0.689 -0.695) 1.075 3.059 ( -0.622 -0.569 1.304) 1.553 3.070 ( 0.405 -0.348 -1.403) 1.502 3.344 ( -0.566 0.322 -0.702) 0.957 3.372 ( -1.830 -0.560 1.052) 2.184 3.384 ( 1.001 1.413 0.909) 1.956 3.438 ( 1.722 -0.803 -0.843) 2.078 5.322 ( -0.479 0.360 0.886) 1.069 5.341 ( 0.198 -0.286 -0.436) 0.558 5.349 ( 0.304 -0.098 -0.060) 0.325 5.354 ( 0.198 -0.098 -0.290) 0.364 6.890 ( 0.015 0.209 -1.610) 1.624 6.898 ( -0.212 -0.118 -1.782) 1.798 6.899 ( -0.547 0.564 1.858) 2.018 6.927 ( -0.074 -0.610 1.617) 1.730 7.138 ( 0.555 1.597 0.413) 1.740 7.145 ( 0.433 1.739 1.181) 2.146 7.235 ( -2.727 0.076 3.725) 4.617 7.352 ( 3.112 -3.599 -0.656) 4.803 7.774 ( -0.592 0.228 -0.556) 0.843 7.783 ( -0.339 -0.079 -0.212) 0.407 7.814 ( -1.230 0.630 -0.491) 1.467 7.852 ( 0.032 -0.802 0.214) 0.831 8.081 ( -0.404 0.343 -0.737) 0.907 8.099 ( -0.155 -0.283 0.366) 0.488 8.115 ( -0.165 -0.125 0.335) 0.394 8.123 ( 0.121 -0.259 -0.129) 0.314 ======================= Grid point 151 (82/87) ======================= q-point: ( 0.29 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.391 ( -0.027 6.632 -7.239) 9.818 0.553 ( -1.356 1.193 0.704) 1.938 0.591 ( -2.442 -1.106 2.903) 3.951 0.672 ( 1.507 -3.924 -4.098) 5.870 0.799 ( 0.910 -1.379 -2.026) 2.614 0.880 ( 0.705 -1.117 2.351) 2.697 0.997 ( 2.038 1.597 0.629) 2.665 1.064 ( 0.955 -1.395 -4.410) 4.723 1.092 ( 0.721 0.795 0.078) 1.076 1.154 ( -2.573 0.420 -0.284) 2.623 1.199 ( -1.059 -3.492 -1.237) 3.853 1.221 ( -1.673 -1.927 -0.246) 2.564 1.340 ( -0.334 2.552 0.380) 2.602 1.424 ( -1.094 3.000 1.029) 3.355 1.483 ( -1.929 3.735 -0.512) 4.235 1.510 ( 2.201 -1.156 -0.681) 2.577 1.571 ( -4.019 -0.752 2.258) 4.671 1.587 ( -2.196 -0.042 -0.846) 2.354 1.667 ( 0.785 -3.042 -0.406) 3.168 1.691 ( -1.735 -1.810 1.881) 3.135 1.808 ( 1.633 0.140 -2.723) 3.178 1.849 ( -0.643 -0.471 2.819) 2.929 1.922 ( 3.362 1.619 1.127) 3.897 2.001 ( 3.031 -1.545 -4.028) 5.273 2.205 ( 2.857 1.510 -8.060) 8.684 2.215 ( -1.813 1.901 7.803) 8.233 2.263 ( 0.931 -0.668 -6.263) 6.367 2.281 ( -3.379 -0.874 8.588) 9.270 2.754 ( 0.231 0.021 -0.272) 0.357 2.760 ( 0.022 -0.081 -0.606) 0.611 2.793 ( 0.492 0.703 0.865) 1.218 2.825 ( -0.118 -0.536 0.616) 0.825 3.010 ( -1.138 0.421 0.558) 1.335 3.025 ( -0.796 0.595 -0.944) 1.371 3.056 ( -0.201 -0.492 0.535) 0.754 3.067 ( -0.010 -0.300 -0.961) 1.007 3.334 ( -0.193 -0.021 -0.390) 0.435 3.349 ( -1.050 -0.264 0.751) 1.317 3.409 ( 1.055 1.290 1.205) 2.056 3.457 ( 0.710 -0.634 -0.928) 1.329 5.323 ( -0.016 0.305 0.995) 1.041 5.339 ( -0.056 -0.347 -0.168) 0.390 5.351 ( -0.119 0.092 0.094) 0.177 5.357 ( 0.387 -0.136 -0.793) 0.893 6.880 ( 0.052 0.359 -1.632) 1.672 6.894 ( 0.281 -0.021 -0.739) 0.791 6.895 ( -0.577 0.482 1.208) 1.423 6.928 ( -0.662 -0.685 1.336) 1.641 7.152 ( 1.204 1.747 -2.079) 2.970 7.162 ( -0.179 0.549 4.336) 4.374 7.224 ( -0.802 1.353 4.649) 4.908 7.373 ( -0.379 -3.848 -2.085) 4.393 7.762 ( -0.213 0.295 -0.405) 0.545 7.778 ( 0.046 -0.149 0.023) 0.157 7.795 ( -0.563 0.732 -0.094) 0.928 7.845 ( -0.643 -1.067 -0.285) 1.278 8.073 ( -0.094 0.336 -0.485) 0.597 8.092 ( -0.548 -0.481 -0.160) 0.747 8.118 ( 0.021 0.096 0.772) 0.778 8.124 ( 0.075 -0.087 -0.295) 0.317 ======================= Grid point 152 (83/87) ======================= q-point: ( 0.43 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.392 ( 4.135 4.190 -6.676) 8.901 0.470 ( -6.641 1.752 4.216) 8.059 0.612 ( 1.489 -2.219 4.584) 5.306 0.662 ( -0.093 -5.436 -6.518) 8.488 0.832 ( 2.868 2.240 -1.154) 3.817 0.877 ( -2.431 1.237 2.536) 3.724 1.018 ( 0.276 0.412 1.440) 1.523 1.041 ( -0.273 -0.149 -4.413) 4.424 1.130 ( 2.750 -0.723 0.296) 2.859 1.142 ( 0.951 0.529 0.031) 1.089 1.164 ( -1.495 -2.175 0.748) 2.743 1.191 ( -2.754 -0.633 -0.456) 2.862 1.351 ( 2.278 0.409 -1.698) 2.870 1.396 ( -2.486 1.380 0.471) 2.882 1.460 ( 0.760 2.576 -0.905) 2.834 1.499 ( -3.983 0.340 2.957) 4.972 1.546 ( 1.304 -0.665 -0.805) 1.670 1.563 ( -0.820 0.187 0.604) 1.036 1.680 ( 0.468 -2.252 0.622) 2.382 1.687 ( 0.127 -2.840 -0.394) 2.870 1.823 ( 1.843 -0.093 -3.528) 3.981 1.841 ( -1.874 -0.227 3.559) 4.029 1.983 ( 2.054 0.463 2.045) 2.936 2.014 ( 0.487 -0.826 -3.739) 3.860 2.214 ( 0.728 1.159 -0.696) 1.536 2.223 ( -0.079 1.586 0.464) 1.654 2.251 ( 1.081 -0.329 -4.268) 4.415 2.262 ( -2.529 -0.150 5.740) 6.275 2.756 ( 0.141 -0.038 0.085) 0.169 2.759 ( 0.024 -0.149 -0.360) 0.390 2.807 ( 0.612 0.305 0.525) 0.862 2.820 ( -0.547 -0.202 0.048) 0.585 2.999 ( -0.312 0.488 0.842) 1.022 3.006 ( -0.548 0.502 -0.971) 1.223 3.057 ( 0.069 -0.387 0.307) 0.498 3.061 ( -0.163 -0.311 -0.520) 0.627 3.333 ( 0.158 -0.056 -0.075) 0.184 3.338 ( -0.477 -0.083 0.236) 0.538 3.435 ( 0.939 0.641 1.334) 1.753 3.455 ( -0.350 -0.125 -1.172) 1.229 5.329 ( 0.114 0.242 1.001) 1.036 5.336 ( -0.073 0.065 -0.759) 0.765 5.351 ( -0.012 -0.129 0.737) 0.748 5.356 ( 0.027 -0.235 -0.921) 0.951 6.879 ( 0.659 0.572 -1.634) 1.852 6.886 ( -0.985 0.678 1.719) 2.094 6.903 ( 1.006 -0.436 -1.129) 1.573 6.917 ( -1.052 -0.610 1.142) 1.669 7.163 ( 0.747 1.594 -0.670) 1.884 7.171 ( -0.514 1.571 1.305) 2.106 7.258 ( 1.417 -0.453 5.830) 6.016 7.325 ( -2.325 -2.401 -4.755) 5.812 7.763 ( 0.375 0.496 -0.014) 0.622 7.773 ( -0.608 0.683 -0.004) 0.914 7.803 ( 1.035 -0.806 0.660) 1.469 7.827 ( -0.986 -1.134 -0.703) 1.659 8.073 ( 0.281 0.117 -0.139) 0.335 8.081 ( -0.500 -0.224 -0.119) 0.561 8.121 ( -0.038 0.070 0.661) 0.666 8.123 ( 0.079 0.022 -0.465) 0.472 ======================= Grid point 156 (84/87) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.533 ( -0.000 0.000 0.000) 0.000 0.533 ( 0.000 0.000 0.000) 0.000 0.628 ( -0.000 0.000 0.000) 0.000 0.628 ( -0.000 0.000 0.000) 0.000 0.832 ( 0.000 0.000 0.000) 0.000 0.832 ( 0.000 0.000 0.000) 0.000 0.941 ( 0.000 0.000 0.000) 0.000 0.941 ( -0.000 0.000 0.000) 0.000 1.131 ( -0.000 0.000 0.000) 0.000 1.131 ( 0.000 0.000 0.000) 0.000 1.325 ( -0.000 0.000 0.000) 0.000 1.325 ( 0.000 0.000 0.000) 0.000 1.380 ( -0.000 0.000 0.000) 0.000 1.380 ( 0.000 0.000 0.000) 0.000 1.458 ( -0.000 0.000 -0.000) 0.000 1.458 ( 0.000 0.000 0.000) 0.000 1.695 ( -0.000 0.000 0.000) 0.000 1.695 ( -0.000 0.000 0.000) 0.000 1.745 ( -0.000 0.000 0.000) 0.000 1.745 ( 0.000 0.000 0.000) 0.000 1.786 ( 0.000 0.000 0.000) 0.000 1.786 ( 0.000 0.000 0.000) 0.000 1.855 ( 0.000 0.000 -0.000) 0.000 1.855 ( -0.000 0.000 0.000) 0.000 2.236 ( -0.000 0.000 0.000) 0.000 2.236 ( -0.000 0.000 0.000) 0.000 2.259 ( 0.000 -0.000 -0.000) 0.000 2.259 ( 0.000 0.000 -0.000) 0.000 2.769 ( 0.000 -0.000 0.000) 0.000 2.769 ( 0.000 0.000 0.000) 0.000 2.788 ( -0.000 0.000 0.000) 0.000 2.788 ( 0.000 0.000 0.000) 0.000 3.055 ( 0.000 -0.000 -0.000) 0.000 3.055 ( -0.000 -0.000 0.000) 0.000 3.056 ( 0.000 0.000 -0.000) 0.000 3.056 ( -0.000 0.000 0.000) 0.000 3.379 ( -0.000 -0.000 0.000) 0.000 3.379 ( -0.000 0.000 0.000) 0.000 3.391 ( 0.000 -0.000 -0.000) 0.000 3.391 ( 0.000 0.000 -0.000) 0.000 5.336 ( 0.000 0.000 -0.000) 0.000 5.336 ( -0.000 0.000 0.000) 0.000 5.345 ( 0.000 0.000 0.000) 0.000 5.345 ( 0.000 0.000 0.000) 0.000 6.905 ( -0.000 0.000 -0.000) 0.000 6.905 ( -0.000 0.000 -0.000) 0.000 6.906 ( -0.000 -0.000 0.000) 0.000 6.906 ( 0.000 -0.000 0.000) 0.000 7.165 ( 0.000 0.000 0.000) 0.000 7.165 ( -0.000 -0.000 0.000) 0.000 7.255 ( -0.000 0.000 0.000) 0.000 7.255 ( 0.000 0.000 0.000) 0.000 7.787 ( -0.000 0.000 0.000) 0.000 7.787 ( 0.000 0.000 0.000) 0.000 7.837 ( -0.000 -0.000 0.000) 0.000 7.837 ( 0.000 0.000 0.000) 0.000 8.096 ( 0.000 0.000 0.000) 0.000 8.096 ( 0.000 0.000 0.000) 0.000 8.114 ( 0.000 0.000 0.000) 0.000 8.114 ( -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): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.535 ( 0.778 -2.850 -1.629) 3.374 0.535 ( 0.778 2.850 -1.629) 3.374 0.632 ( -1.052 -2.345 0.455) 2.610 0.632 ( -1.052 2.345 0.455) 2.610 0.793 ( -0.401 -0.709 -2.682) 2.803 0.793 ( -0.401 0.709 -2.682) 2.803 0.987 ( 2.767 -2.897 1.355) 4.229 0.987 ( 2.767 2.897 1.355) 4.229 1.136 ( 0.781 -1.988 -1.653) 2.701 1.136 ( 0.781 1.988 -1.653) 2.701 1.251 ( -4.942 -1.248 -0.175) 5.100 1.251 ( -4.942 1.248 -0.175) 5.100 1.416 ( 0.606 -3.042 2.132) 3.763 1.416 ( 0.606 3.042 2.132) 3.763 1.482 ( 2.836 -2.977 -1.256) 4.299 1.482 ( 2.836 2.977 -1.256) 4.299 1.635 ( -3.945 -0.218 -1.678) 4.292 1.635 ( -3.945 0.218 -1.678) 4.292 1.707 ( -4.569 -1.756 2.958) 5.719 1.707 ( -4.569 1.756 2.958) 5.719 1.804 ( 1.712 -1.713 0.431) 2.460 1.804 ( 1.712 1.713 0.431) 2.460 1.904 ( 4.079 -2.726 -2.285) 5.412 1.904 ( 4.079 2.726 -2.285) 5.412 2.235 ( 1.360 -1.303 -5.161) 5.494 2.235 ( 1.360 1.303 -5.161) 5.494 2.261 ( -1.534 -1.361 5.698) 6.055 2.261 ( -1.534 1.361 5.698) 6.055 2.762 ( -0.227 -0.517 -0.755) 0.943 2.762 ( -0.227 0.517 -0.755) 0.943 2.798 ( 0.444 -1.079 1.079) 1.590 2.798 ( 0.444 1.079 1.079) 1.590 3.042 ( -1.064 -0.702 0.460) 1.356 3.042 ( -1.064 0.702 0.460) 1.356 3.060 ( 0.228 -0.641 -0.831) 1.074 3.060 ( 0.228 0.641 -0.831) 1.074 3.356 ( -1.323 -0.823 0.429) 1.616 3.356 ( -1.323 0.823 0.429) 1.616 3.415 ( 1.465 -1.508 -0.138) 2.107 3.415 ( 1.465 1.508 -0.138) 2.107 5.331 ( -0.347 -0.555 0.462) 0.801 5.331 ( -0.347 0.555 0.462) 0.801 5.351 ( 0.467 -0.166 -0.415) 0.646 5.351 ( 0.467 0.166 -0.415) 0.646 6.895 ( -0.073 -0.228 -1.688) 1.704 6.895 ( -0.073 0.228 -1.688) 1.704 6.913 ( -0.315 -0.784 1.746) 1.939 6.913 ( -0.315 0.784 1.746) 1.939 7.162 ( -0.735 -0.644 2.519) 2.702 7.162 ( -0.735 0.644 2.519) 2.702 7.271 ( 1.386 -3.827 -0.423) 4.092 7.271 ( 1.386 3.827 -0.423) 4.092 7.779 ( -0.524 -0.288 -0.582) 0.835 7.779 ( -0.524 0.288 -0.582) 0.835 7.832 ( -0.511 -1.084 0.085) 1.201 7.832 ( -0.511 1.084 0.085) 1.201 8.090 ( -0.382 -0.550 -0.369) 0.765 8.090 ( -0.382 0.550 -0.369) 0.765 8.117 ( 0.126 -0.288 0.328) 0.454 8.117 ( 0.126 0.288 0.328) 0.454 ======================= Grid point 162 (86/87) ======================= q-point: ( 0.29 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.541 ( 0.664 -7.315 -5.332) 9.076 0.541 ( 0.664 7.315 -5.332) 9.076 0.575 ( -3.787 -1.454 2.691) 4.868 0.575 ( -3.787 1.454 2.691) 4.868 0.828 ( 3.687 -3.414 -0.741) 5.079 0.828 ( 3.687 3.414 -0.741) 5.079 1.031 ( 1.628 -1.732 -1.869) 3.024 1.031 ( 1.628 1.732 -1.869) 3.024 1.129 ( -1.171 -3.000 0.141) 3.223 1.129 ( -1.171 3.000 0.141) 3.223 1.181 ( -1.516 -1.980 -0.621) 2.570 1.181 ( -1.516 1.980 -0.621) 2.570 1.415 ( -1.647 -3.917 1.159) 4.404 1.415 ( -1.647 3.917 1.159) 4.404 1.524 ( 0.873 -0.764 -0.580) 1.297 1.524 ( 0.873 0.764 -0.580) 1.297 1.563 ( -2.205 -1.469 0.286) 2.665 1.563 ( -2.205 1.469 0.286) 2.665 1.649 ( -2.177 -1.850 1.506) 3.230 1.649 ( -2.177 1.850 1.506) 3.230 1.827 ( 0.477 -1.436 0.390) 1.562 1.827 ( 0.477 1.436 0.390) 1.562 1.962 ( 3.334 -2.225 -2.741) 4.855 1.962 ( 3.334 2.225 -2.741) 4.855 2.236 ( 1.532 -1.216 -4.933) 5.307 2.236 ( 1.532 1.216 -4.933) 5.307 2.257 ( -2.054 -1.363 6.044) 6.527 2.257 ( -2.054 1.363 6.044) 6.527 2.757 ( 0.046 -0.230 -0.530) 0.580 2.757 ( 0.046 0.230 -0.530) 0.580 2.810 ( 0.160 -0.927 0.933) 1.325 2.810 ( 0.160 0.927 0.933) 1.325 3.023 ( -1.029 -0.738 0.238) 1.289 3.023 ( -1.029 0.738 0.238) 1.289 3.057 ( -0.005 -0.571 -0.662) 0.875 3.057 ( -0.005 0.571 -0.662) 0.875 3.340 ( -0.667 -0.529 0.482) 0.978 3.340 ( -0.667 0.529 0.482) 0.978 3.437 ( 0.903 -1.365 -0.068) 1.638 3.437 ( 0.903 1.365 -0.068) 1.638 5.331 ( -0.038 -0.469 0.610) 0.771 5.331 ( -0.038 0.469 0.610) 0.771 5.354 ( 0.148 -0.172 -0.547) 0.592 5.354 ( 0.148 0.172 -0.547) 0.592 6.888 ( 0.317 -0.384 -1.465) 1.548 6.888 ( 0.317 0.384 -1.465) 1.548 6.911 ( -0.747 -0.917 1.572) 1.968 6.911 ( -0.747 0.917 1.572) 1.968 7.170 ( -0.153 -0.124 3.544) 3.550 7.170 ( -0.153 0.124 3.544) 3.550 7.285 ( 0.255 -4.564 -1.317) 4.757 7.285 ( 0.255 4.564 -1.317) 4.757 7.770 ( -0.009 -0.491 -0.276) 0.563 7.770 ( -0.009 0.491 -0.276) 0.563 7.819 ( -0.835 -1.463 -0.151) 1.691 7.819 ( -0.835 1.463 -0.151) 1.691 8.081 ( -0.308 -0.519 -0.325) 0.685 8.081 ( -0.308 0.519 -0.325) 0.685 8.121 ( 0.079 -0.187 0.291) 0.354 8.121 ( 0.079 0.187 0.291) 0.354 ======================= Grid point 164 (87/87) ======================= q-point: ( 0.43 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.487 ( -1.948 -3.054 -1.211) 3.820 0.487 ( -1.948 3.054 -1.211) 3.820 0.571 ( 0.564 -0.434 -0.292) 0.769 0.571 ( 0.564 0.434 -0.292) 0.769 0.878 ( 1.134 -1.586 0.495) 2.012 0.878 ( 1.134 1.586 0.495) 2.012 1.028 ( -0.020 -0.929 -1.892) 2.107 1.028 ( -0.020 0.929 -1.892) 2.107 1.130 ( 0.960 -0.828 0.285) 1.300 1.130 ( 0.960 0.828 0.285) 1.300 1.168 ( -0.254 -1.778 -0.192) 1.807 1.168 ( -0.254 1.778 -0.192) 1.807 1.377 ( -1.846 -2.191 0.168) 2.870 1.377 ( -1.846 2.191 0.168) 2.870 1.496 ( -1.571 -0.867 0.596) 1.891 1.496 ( -1.571 0.867 0.596) 1.891 1.571 ( 0.763 -1.523 0.263) 1.724 1.571 ( 0.763 1.523 0.263) 1.724 1.639 ( 0.024 -0.701 0.194) 0.728 1.639 ( 0.024 0.701 0.194) 0.728 1.831 ( -0.074 -0.669 0.102) 0.681 1.831 ( -0.074 0.669 0.102) 0.681 1.997 ( 1.392 -0.889 -1.396) 2.163 1.997 ( 1.392 0.889 -1.396) 2.163 2.236 ( 0.080 -0.803 -1.041) 1.317 2.236 ( 0.080 0.803 -1.041) 1.317 2.253 ( -0.480 -0.829 1.764) 2.008 2.253 ( -0.480 0.829 1.764) 2.008 2.757 ( 0.098 -0.077 -0.172) 0.213 2.757 ( 0.098 0.077 -0.172) 0.213 2.814 ( -0.026 -0.361 0.352) 0.505 2.814 ( -0.026 0.361 0.352) 0.505 3.009 ( -0.432 -0.345 0.064) 0.557 3.009 ( -0.432 0.345 0.064) 0.557 3.054 ( -0.035 -0.232 -0.237) 0.333 3.054 ( -0.035 0.232 -0.237) 0.333 3.335 ( -0.153 -0.203 0.223) 0.338 3.335 ( -0.153 0.203 0.223) 0.338 3.448 ( 0.279 -0.566 -0.023) 0.631 3.448 ( 0.279 0.566 -0.023) 0.631 5.335 ( 0.090 -0.236 0.432) 0.501 5.335 ( 0.090 0.236 0.432) 0.501 5.352 ( -0.056 -0.185 -0.403) 0.447 5.352 ( -0.056 0.185 -0.403) 0.447 6.892 ( 0.808 -0.688 -1.338) 1.708 6.892 ( 0.808 0.688 -1.338) 1.708 6.902 ( -0.984 -0.879 1.397) 1.922 6.902 ( -0.984 0.879 1.397) 1.922 7.189 ( 0.268 -0.585 2.324) 2.411 7.189 ( 0.268 0.585 2.324) 2.411 7.271 ( -0.475 -2.354 -1.497) 2.829 7.271 ( -0.475 2.354 -1.497) 2.829 7.777 ( 0.531 -0.735 0.221) 0.933 7.777 ( 0.531 0.735 0.221) 0.933 7.802 ( -0.734 -1.136 -0.314) 1.389 7.802 ( -0.734 1.136 -0.314) 1.389 8.076 ( -0.103 -0.206 -0.122) 0.261 8.076 ( -0.103 0.206 -0.122) 0.261 8.123 ( 0.029 -0.056 0.113) 0.130 8.123 ( 0.029 0.056 0.113) 0.130 =================== 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 0.373 0.479 0.457 0.000 0.016 0.000 3/13440 20.0 0.176 0.190 0.237 0.000 -0.008 0.000 3/13440 30.0 0.125 0.126 0.203 0.000 -0.021 0.000 3/13440 40.0 0.101 0.098 0.193 0.000 -0.027 0.000 3/13440 50.0 0.087 0.082 0.188 0.000 -0.031 0.000 3/13440 60.0 0.077 0.071 0.184 0.000 -0.032 0.000 3/13440 70.0 0.071 0.064 0.181 0.000 -0.033 0.000 3/13440 80.0 0.066 0.058 0.178 0.000 -0.033 0.000 3/13440 90.0 0.061 0.054 0.173 0.000 -0.033 0.000 3/13440 100.0 0.058 0.050 0.169 0.000 -0.032 0.000 3/13440 110.0 0.055 0.047 0.163 0.000 -0.031 0.000 3/13440 120.0 0.052 0.045 0.158 0.000 -0.030 0.000 3/13440 130.0 0.049 0.042 0.152 0.000 -0.029 0.000 3/13440 140.0 0.047 0.040 0.146 0.000 -0.028 0.000 3/13440 150.0 0.045 0.038 0.141 0.000 -0.027 0.000 3/13440 160.0 0.043 0.036 0.135 0.000 -0.026 0.000 3/13440 170.0 0.041 0.035 0.130 0.000 -0.025 0.000 3/13440 180.0 0.039 0.033 0.126 0.000 -0.024 0.000 3/13440 190.0 0.038 0.032 0.121 0.000 -0.023 0.000 3/13440 200.0 0.036 0.030 0.117 0.000 -0.023 0.000 3/13440 210.0 0.035 0.029 0.113 0.000 -0.022 0.000 3/13440 220.0 0.034 0.028 0.109 0.000 -0.021 0.000 3/13440 230.0 0.032 0.027 0.105 0.000 -0.020 0.000 3/13440 240.0 0.031 0.026 0.102 0.000 -0.020 0.000 3/13440 250.0 0.030 0.025 0.099 0.000 -0.019 0.000 3/13440 260.0 0.029 0.024 0.096 0.000 -0.018 0.000 3/13440 270.0 0.028 0.024 0.093 0.000 -0.018 0.000 3/13440 280.0 0.028 0.023 0.090 0.000 -0.017 0.000 3/13440 290.0 0.027 0.022 0.087 0.000 -0.017 0.000 3/13440 300.0 0.026 0.022 0.085 0.000 -0.016 0.000 3/13440 310.0 0.025 0.021 0.083 0.000 -0.016 0.000 3/13440 320.0 0.025 0.020 0.080 0.000 -0.015 0.000 3/13440 330.0 0.024 0.020 0.078 0.000 -0.015 0.000 3/13440 340.0 0.023 0.019 0.076 0.000 -0.015 0.000 3/13440 350.0 0.023 0.019 0.074 0.000 -0.014 0.000 3/13440 360.0 0.022 0.018 0.072 0.000 -0.014 0.000 3/13440 370.0 0.022 0.018 0.071 0.000 -0.014 0.000 3/13440 380.0 0.021 0.017 0.069 0.000 -0.013 0.000 3/13440 390.0 0.021 0.017 0.068 0.000 -0.013 0.000 3/13440 400.0 0.020 0.017 0.066 0.000 -0.013 0.000 3/13440 410.0 0.020 0.016 0.065 0.000 -0.012 0.000 3/13440 420.0 0.019 0.016 0.063 0.000 -0.012 0.000 3/13440 430.0 0.019 0.016 0.062 0.000 -0.012 0.000 3/13440 440.0 0.018 0.015 0.061 0.000 -0.012 0.000 3/13440 450.0 0.018 0.015 0.059 0.000 -0.011 0.000 3/13440 460.0 0.018 0.015 0.058 0.000 -0.011 0.000 3/13440 470.0 0.017 0.014 0.057 0.000 -0.011 0.000 3/13440 480.0 0.017 0.014 0.056 0.000 -0.011 0.000 3/13440 490.0 0.017 0.014 0.055 0.000 -0.011 0.000 3/13440 500.0 0.016 0.013 0.054 0.000 -0.010 0.000 3/13440 510.0 0.016 0.013 0.053 0.000 -0.010 0.000 3/13440 520.0 0.016 0.013 0.052 0.000 -0.010 0.000 3/13440 530.0 0.015 0.013 0.051 0.000 -0.010 0.000 3/13440 540.0 0.015 0.013 0.050 0.000 -0.010 0.000 3/13440 550.0 0.015 0.012 0.049 0.000 -0.009 0.000 3/13440 560.0 0.015 0.012 0.048 0.000 -0.009 0.000 3/13440 570.0 0.014 0.012 0.048 0.000 -0.009 0.000 3/13440 580.0 0.014 0.012 0.047 0.000 -0.009 0.000 3/13440 590.0 0.014 0.012 0.046 0.000 -0.009 0.000 3/13440 600.0 0.014 0.011 0.045 0.000 -0.009 0.000 3/13440 610.0 0.014 0.011 0.045 0.000 -0.009 0.000 3/13440 620.0 0.013 0.011 0.044 0.000 -0.008 0.000 3/13440 630.0 0.013 0.011 0.043 0.000 -0.008 0.000 3/13440 640.0 0.013 0.011 0.043 0.000 -0.008 0.000 3/13440 650.0 0.013 0.010 0.042 0.000 -0.008 0.000 3/13440 660.0 0.013 0.010 0.041 0.000 -0.008 0.000 3/13440 670.0 0.012 0.010 0.041 0.000 -0.008 0.000 3/13440 680.0 0.012 0.010 0.040 0.000 -0.008 0.000 3/13440 690.0 0.012 0.010 0.040 0.000 -0.008 0.000 3/13440 700.0 0.012 0.010 0.039 0.000 -0.008 0.000 3/13440 710.0 0.012 0.010 0.039 0.000 -0.007 0.000 3/13440 720.0 0.012 0.010 0.038 0.000 -0.007 0.000 3/13440 730.0 0.011 0.009 0.038 0.000 -0.007 0.000 3/13440 740.0 0.011 0.009 0.037 0.000 -0.007 0.000 3/13440 750.0 0.011 0.009 0.037 0.000 -0.007 0.000 3/13440 760.0 0.011 0.009 0.036 0.000 -0.007 0.000 3/13440 770.0 0.011 0.009 0.036 0.000 -0.007 0.000 3/13440 780.0 0.011 0.009 0.035 0.000 -0.007 0.000 3/13440 790.0 0.011 0.009 0.035 0.000 -0.007 0.000 3/13440 800.0 0.010 0.009 0.034 0.000 -0.007 0.000 3/13440 810.0 0.010 0.008 0.034 0.000 -0.007 0.000 3/13440 820.0 0.010 0.008 0.034 0.000 -0.006 0.000 3/13440 830.0 0.010 0.008 0.033 0.000 -0.006 0.000 3/13440 840.0 0.010 0.008 0.033 0.000 -0.006 0.000 3/13440 850.0 0.010 0.008 0.033 0.000 -0.006 0.000 3/13440 860.0 0.010 0.008 0.032 0.000 -0.006 0.000 3/13440 870.0 0.010 0.008 0.032 0.000 -0.006 0.000 3/13440 880.0 0.009 0.008 0.031 0.000 -0.006 0.000 3/13440 890.0 0.009 0.008 0.031 0.000 -0.006 0.000 3/13440 900.0 0.009 0.008 0.031 0.000 -0.006 0.000 3/13440 910.0 0.009 0.008 0.030 0.000 -0.006 0.000 3/13440 920.0 0.009 0.008 0.030 0.000 -0.006 0.000 3/13440 930.0 0.009 0.007 0.030 0.000 -0.006 0.000 3/13440 940.0 0.009 0.007 0.029 0.000 -0.006 0.000 3/13440 950.0 0.009 0.007 0.029 0.000 -0.006 0.000 3/13440 960.0 0.009 0.007 0.029 0.000 -0.006 0.000 3/13440 970.0 0.009 0.007 0.029 0.000 -0.005 0.000 3/13440 980.0 0.009 0.007 0.028 0.000 -0.005 0.000 3/13440 990.0 0.008 0.007 0.028 0.000 -0.005 0.000 3/13440 1000.0 0.008 0.007 0.028 0.000 -0.005 0.000 3/13440 Thermal conductivity related properties were written into "kappa-m748.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:52:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|