----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:48:04]------------------------- 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: [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.432673860000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.016778790000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.476730050000000 Atomic positions (fractional): *1 K 0.15453352829336 0.62615733287793 0.03243821854692 39.098 2 K 0.15453352829336 0.37384266712207 0.53243821854692 39.098 3 K 0.34546647170665 0.87384266712207 0.53243821854692 39.098 4 K 0.34546647170665 0.12615733287793 0.03243821854692 39.098 5 K 0.65453352829335 0.87384266712207 0.96756178145308 39.098 6 K 0.65453352829335 0.12615733287793 0.46756178145308 39.098 7 K 0.84546647170665 0.62615733287793 0.46756178145308 39.098 8 K 0.84546647170665 0.37384266712207 0.96756178145308 39.098 *9 Mg 0.00000000000000 0.99238071085809 0.75000000000000 24.305 10 Mg 0.00000000000000 0.00761928914191 0.25000000000000 24.305 11 Mg 0.50000000000000 0.50761928914191 0.25000000000000 24.305 12 Mg 0.50000000000000 0.49238071085809 0.75000000000000 24.305 *13 O 0.09410362987312 0.18050820531128 0.99574337014382 15.999 14 O 0.09410362987312 0.81949179468872 0.49574337014382 15.999 15 O 0.40589637012689 0.68050820531128 0.99574337014382 15.999 16 O 0.40589637012689 0.31949179468872 0.49574337014382 15.999 17 O 0.59410362987312 0.68050820531128 0.50425662985618 15.999 18 O 0.59410362987312 0.31949179468872 0.00425662985618 15.999 19 O 0.90589637012688 0.81949179468872 0.00425662985618 15.999 20 O 0.90589637012688 0.18050820531128 0.50425662985618 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.432673860000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.016778790000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.476730050000000 Atomic positions (fractional): *1 K 0.15453352829336 0.62615733287793 0.03243821854692 39.098 > 1 2 K 0.15453352829336 0.37384266712207 0.53243821854692 39.098 > 2 3 K 0.34546647170665 0.87384266712207 0.53243821854692 39.098 > 3 4 K 0.34546647170665 0.12615733287793 0.03243821854692 39.098 > 4 5 K 0.65453352829335 0.87384266712207 0.96756178145308 39.098 > 5 6 K 0.65453352829335 0.12615733287793 0.46756178145308 39.098 > 6 7 K 0.84546647170665 0.62615733287793 0.46756178145308 39.098 > 7 8 K 0.84546647170665 0.37384266712207 0.96756178145308 39.098 > 8 *9 Mg 0.00000000000000 0.99238071085809 0.75000000000000 24.305 > 9 10 Mg 0.00000000000000 0.00761928914191 0.25000000000000 24.305 > 10 11 Mg 0.50000000000000 0.50761928914191 0.25000000000000 24.305 > 11 12 Mg 0.50000000000000 0.49238071085809 0.75000000000000 24.305 > 12 *13 O 0.09410362987312 0.18050820531128 0.99574337014382 15.999 > 13 14 O 0.09410362987312 0.81949179468872 0.49574337014382 15.999 > 14 15 O 0.40589637012689 0.68050820531128 0.99574337014382 15.999 > 15 16 O 0.40589637012689 0.31949179468872 0.49574337014382 15.999 > 16 17 O 0.59410362987312 0.68050820531128 0.50425662985618 15.999 > 17 18 O 0.59410362987312 0.31949179468872 0.00425662985618 15.999 > 18 19 O 0.90589637012688 0.81949179468872 0.00425662985618 15.999 > 19 20 O 0.90589637012688 0.18050820531128 0.50425662985618 15.999 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.432673860000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.033557580000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.953460099999999 Atomic positions (fractional): *1 K 0.15453352829336 0.31307866643896 0.01621910927346 39.098 > 1 2 K 0.15453352829336 0.81307866643896 0.01621910927346 39.098 > 1 3 K 0.15453352829336 0.31307866643896 0.51621910927346 39.098 > 1 4 K 0.15453352829336 0.81307866643896 0.51621910927346 39.098 > 1 5 K 0.15453352829336 0.18692133356104 0.26621910927346 39.098 > 2 6 K 0.15453352829336 0.68692133356104 0.26621910927346 39.098 > 2 7 K 0.15453352829336 0.18692133356104 0.76621910927346 39.098 > 2 8 K 0.15453352829336 0.68692133356104 0.76621910927346 39.098 > 2 9 K 0.34546647170665 0.43692133356104 0.26621910927346 39.098 > 3 10 K 0.34546647170665 0.93692133356104 0.26621910927346 39.098 > 3 11 K 0.34546647170665 0.43692133356104 0.76621910927346 39.098 > 3 12 K 0.34546647170665 0.93692133356104 0.76621910927346 39.098 > 3 13 K 0.34546647170665 0.06307866643896 0.01621910927346 39.098 > 4 14 K 0.34546647170665 0.56307866643896 0.01621910927346 39.098 > 4 15 K 0.34546647170665 0.06307866643896 0.51621910927346 39.098 > 4 16 K 0.34546647170665 0.56307866643896 0.51621910927346 39.098 > 4 17 K 0.65453352829335 0.43692133356104 0.48378089072654 39.098 > 5 18 K 0.65453352829335 0.93692133356104 0.48378089072654 39.098 > 5 19 K 0.65453352829335 0.43692133356104 0.98378089072654 39.098 > 5 20 K 0.65453352829335 0.93692133356104 0.98378089072654 39.098 > 5 21 K 0.65453352829335 0.06307866643896 0.23378089072654 39.098 > 6 22 K 0.65453352829335 0.56307866643896 0.23378089072654 39.098 > 6 23 K 0.65453352829335 0.06307866643896 0.73378089072654 39.098 > 6 24 K 0.65453352829335 0.56307866643896 0.73378089072654 39.098 > 6 25 K 0.84546647170665 0.31307866643896 0.23378089072654 39.098 > 7 26 K 0.84546647170665 0.81307866643896 0.23378089072654 39.098 > 7 27 K 0.84546647170665 0.31307866643896 0.73378089072654 39.098 > 7 28 K 0.84546647170665 0.81307866643896 0.73378089072654 39.098 > 7 29 K 0.84546647170665 0.18692133356104 0.48378089072654 39.098 > 8 30 K 0.84546647170665 0.68692133356104 0.48378089072654 39.098 > 8 31 K 0.84546647170665 0.18692133356104 0.98378089072654 39.098 > 8 32 K 0.84546647170665 0.68692133356104 0.98378089072654 39.098 > 8 *33 Mg 0.00000000000000 0.49619035542905 0.37500000000000 24.305 > 9 34 Mg 0.00000000000000 0.99619035542905 0.37500000000000 24.305 > 9 35 Mg 0.00000000000000 0.49619035542905 0.87500000000000 24.305 > 9 36 Mg 0.00000000000000 0.99619035542905 0.87500000000000 24.305 > 9 37 Mg 0.00000000000000 0.00380964457095 0.12500000000000 24.305 > 10 38 Mg 0.00000000000000 0.50380964457095 0.12500000000000 24.305 > 10 39 Mg 0.00000000000000 0.00380964457095 0.62500000000000 24.305 > 10 40 Mg 0.00000000000000 0.50380964457095 0.62500000000000 24.305 > 10 41 Mg 0.50000000000000 0.25380964457095 0.12500000000000 24.305 > 11 42 Mg 0.50000000000000 0.75380964457095 0.12500000000000 24.305 > 11 43 Mg 0.50000000000000 0.25380964457095 0.62500000000000 24.305 > 11 44 Mg 0.50000000000000 0.75380964457095 0.62500000000000 24.305 > 11 45 Mg 0.50000000000000 0.24619035542905 0.37500000000000 24.305 > 12 46 Mg 0.50000000000000 0.74619035542905 0.37500000000000 24.305 > 12 47 Mg 0.50000000000000 0.24619035542905 0.87500000000000 24.305 > 12 48 Mg 0.50000000000000 0.74619035542905 0.87500000000000 24.305 > 12 *49 O 0.09410362987312 0.09025410265564 0.49787168507191 15.999 > 13 50 O 0.09410362987312 0.59025410265564 0.49787168507191 15.999 > 13 51 O 0.09410362987312 0.09025410265564 0.99787168507191 15.999 > 13 52 O 0.09410362987312 0.59025410265564 0.99787168507191 15.999 > 13 53 O 0.09410362987312 0.40974589734436 0.24787168507191 15.999 > 14 54 O 0.09410362987312 0.90974589734436 0.24787168507191 15.999 > 14 55 O 0.09410362987312 0.40974589734436 0.74787168507191 15.999 > 14 56 O 0.09410362987312 0.90974589734436 0.74787168507191 15.999 > 14 57 O 0.40589637012689 0.34025410265564 0.49787168507191 15.999 > 15 58 O 0.40589637012689 0.84025410265564 0.49787168507191 15.999 > 15 59 O 0.40589637012689 0.34025410265564 0.99787168507191 15.999 > 15 60 O 0.40589637012689 0.84025410265564 0.99787168507191 15.999 > 15 61 O 0.40589637012689 0.15974589734436 0.24787168507191 15.999 > 16 62 O 0.40589637012689 0.65974589734436 0.24787168507191 15.999 > 16 63 O 0.40589637012689 0.15974589734436 0.74787168507191 15.999 > 16 64 O 0.40589637012689 0.65974589734436 0.74787168507191 15.999 > 16 65 O 0.59410362987312 0.34025410265564 0.25212831492809 15.999 > 17 66 O 0.59410362987312 0.84025410265564 0.25212831492809 15.999 > 17 67 O 0.59410362987312 0.34025410265564 0.75212831492809 15.999 > 17 68 O 0.59410362987312 0.84025410265564 0.75212831492809 15.999 > 17 69 O 0.59410362987312 0.15974589734436 0.00212831492809 15.999 > 18 70 O 0.59410362987312 0.65974589734436 0.00212831492809 15.999 > 18 71 O 0.59410362987312 0.15974589734436 0.50212831492809 15.999 > 18 72 O 0.59410362987312 0.65974589734436 0.50212831492809 15.999 > 18 73 O 0.90589637012688 0.40974589734436 0.00212831492809 15.999 > 19 74 O 0.90589637012688 0.90974589734436 0.00212831492809 15.999 > 19 75 O 0.90589637012688 0.40974589734436 0.50212831492809 15.999 > 19 76 O 0.90589637012688 0.90974589734436 0.50212831492809 15.999 > 19 77 O 0.90589637012688 0.09025410265564 0.25212831492809 15.999 > 20 78 O 0.90589637012688 0.59025410265564 0.25212831492809 15.999 > 20 79 O 0.90589637012688 0.09025410265564 0.75212831492809 15.999 > 20 80 O 0.90589637012688 0.59025410265564 0.75212831492809 15.999 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9526126 0.0000000 0.0000000 0.0000000 3.0402105 0.0000000 0.0000000 0.0000000 3.0578805 -------------------------- Born effective charges -------------------------- 1 K 1.1911312 -0.0303941 -0.0144944 -0.0500990 1.1297273 0.0196933 -0.0077008 0.0221962 1.0506641 2 K 1.1911312 0.0303941 -0.0144944 0.0500990 1.1297273 -0.0196933 -0.0077008 -0.0221962 1.0506641 3 K 1.1911312 -0.0303941 0.0144944 -0.0500990 1.1297273 -0.0196933 0.0077008 -0.0221962 1.0506641 4 K 1.1911312 0.0303941 0.0144944 0.0500990 1.1297273 0.0196933 0.0077008 0.0221962 1.0506641 5 K 1.1911312 0.0303941 0.0144944 0.0500990 1.1297273 0.0196933 0.0077008 0.0221962 1.0506641 6 K 1.1911312 -0.0303941 0.0144944 -0.0500990 1.1297273 -0.0196933 0.0077008 -0.0221962 1.0506641 7 K 1.1911312 0.0303941 -0.0144944 0.0500990 1.1297273 -0.0196933 -0.0077008 -0.0221962 1.0506641 8 K 1.1911312 -0.0303941 -0.0144944 -0.0500990 1.1297273 0.0196933 -0.0077008 0.0221962 1.0506641 9 Mg 1.2951594 0.0000000 -0.0095832 0.0000000 1.4298588 0.0000000 0.0189368 0.0000000 1.9188665 10 Mg 1.2951594 0.0000000 -0.0095832 0.0000000 1.4298588 0.0000000 0.0189368 0.0000000 1.9188665 11 Mg 1.2951594 0.0000000 0.0095832 0.0000000 1.4298588 0.0000000 -0.0189368 0.0000000 1.9188665 12 Mg 1.2951594 0.0000000 0.0095832 0.0000000 1.4298588 0.0000000 -0.0189368 0.0000000 1.9188665 13 O -1.8387108 -0.1903333 0.0024401 -0.2130546 -1.8446568 0.0337732 -0.0152515 -0.0117445 -2.0100973 14 O -1.8387108 0.1903333 0.0024401 0.2130546 -1.8446568 -0.0337732 -0.0152515 0.0117445 -2.0100973 15 O -1.8387108 0.1903333 -0.0024401 0.2130546 -1.8446568 0.0337732 0.0152515 -0.0117445 -2.0100973 16 O -1.8387108 -0.1903333 -0.0024401 -0.2130546 -1.8446568 -0.0337732 0.0152515 0.0117445 -2.0100973 17 O -1.8387108 -0.1903333 -0.0024401 -0.2130546 -1.8446568 -0.0337732 0.0152515 0.0117445 -2.0100973 18 O -1.8387108 0.1903333 -0.0024401 0.2130546 -1.8446568 0.0337732 0.0152515 -0.0117445 -2.0100973 19 O -1.8387108 -0.1903333 0.0024401 -0.2130546 -1.8446568 0.0337732 -0.0152515 -0.0117445 -2.0100973 20 O -1.8387108 0.1903333 0.0024401 0.2130546 -1.8446568 -0.0337732 -0.0152515 0.0117445 -2.0100973 ---------------------------------------------------------------------------- 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: 962 Number of blocks in projector: 962 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: 204 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 196 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 196 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 122 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 122 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 122 Use standard eigh solver. Tree of FC basis block matrices: - (962, 939), data: False |-- (122, 119), data: True |-- (122, 119), data: True |-- (122, 119), data: True |-- (196, 192), data: True |-- (196, 192), data: True |-- (204, 198), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 320 - Time: 0.707 Solver_block: 200 / 320 - Time: 0.715 Solver_block: 300 / 320 - Time: 0.723 Solver_block: 320 / 320 - Time: 0.207 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.368 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) 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: 962 Number of blocks in projector: 962 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: 204 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 196 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 196 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 122 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 122 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 122 Use standard eigh solver. Tree of FC basis block matrices: - (962, 939), data: False |-- (122, 119), data: True |-- (122, 119), data: True |-- (122, 119), data: True |-- (196, 192), data: True |-- (196, 192), data: True |-- (204, 198), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 23:48:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:48:17]------------------------- 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: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.432673860000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.016778790000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.476730050000000 Atomic positions (fractional): 1 K 0.15453352829336 0.62615733287793 0.03243821854692 39.098 2 K 0.15453352829336 0.37384266712207 0.53243821854692 39.098 3 K 0.34546647170665 0.87384266712207 0.53243821854692 39.098 4 K 0.34546647170665 0.12615733287793 0.03243821854692 39.098 5 K 0.65453352829335 0.87384266712207 0.96756178145308 39.098 6 K 0.65453352829335 0.12615733287793 0.46756178145308 39.098 7 K 0.84546647170665 0.62615733287793 0.46756178145308 39.098 8 K 0.84546647170665 0.37384266712207 0.96756178145308 39.098 9 Mg 0.00000000000000 0.99238071085809 0.75000000000000 24.305 10 Mg 0.00000000000000 0.00761928914191 0.25000000000000 24.305 11 Mg 0.50000000000000 0.50761928914191 0.25000000000000 24.305 12 Mg 0.50000000000000 0.49238071085809 0.75000000000000 24.305 13 O 0.09410362987312 0.18050820531128 0.99574337014382 15.999 14 O 0.09410362987312 0.81949179468872 0.49574337014382 15.999 15 O 0.40589637012689 0.68050820531128 0.99574337014382 15.999 16 O 0.40589637012689 0.31949179468872 0.49574337014382 15.999 17 O 0.59410362987312 0.68050820531128 0.50425662985618 15.999 18 O 0.59410362987312 0.31949179468872 0.00425662985618 15.999 19 O 0.90589637012688 0.81949179468872 0.00425662985618 15.999 20 O 0.90589637012688 0.18050820531128 0.50425662985618 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.432673860000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.033557580000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.953460099999999 Atomic positions (fractional): 1 K 0.15453352829336 0.31307866643896 0.01621910927346 39.098 > 1 2 K 0.15453352829336 0.81307866643896 0.01621910927346 39.098 > 1 3 K 0.15453352829336 0.31307866643896 0.51621910927346 39.098 > 1 4 K 0.15453352829336 0.81307866643896 0.51621910927346 39.098 > 1 5 K 0.15453352829336 0.18692133356104 0.26621910927346 39.098 > 5 6 K 0.15453352829336 0.68692133356104 0.26621910927346 39.098 > 5 7 K 0.15453352829336 0.18692133356104 0.76621910927346 39.098 > 5 8 K 0.15453352829336 0.68692133356104 0.76621910927346 39.098 > 5 9 K 0.34546647170665 0.43692133356104 0.26621910927346 39.098 > 9 10 K 0.34546647170665 0.93692133356104 0.26621910927346 39.098 > 9 11 K 0.34546647170665 0.43692133356104 0.76621910927346 39.098 > 9 12 K 0.34546647170665 0.93692133356104 0.76621910927346 39.098 > 9 13 K 0.34546647170665 0.06307866643896 0.01621910927346 39.098 > 13 14 K 0.34546647170665 0.56307866643896 0.01621910927346 39.098 > 13 15 K 0.34546647170665 0.06307866643896 0.51621910927346 39.098 > 13 16 K 0.34546647170665 0.56307866643896 0.51621910927346 39.098 > 13 17 K 0.65453352829335 0.43692133356104 0.48378089072654 39.098 > 17 18 K 0.65453352829335 0.93692133356104 0.48378089072654 39.098 > 17 19 K 0.65453352829335 0.43692133356104 0.98378089072654 39.098 > 17 20 K 0.65453352829335 0.93692133356104 0.98378089072654 39.098 > 17 21 K 0.65453352829335 0.06307866643896 0.23378089072654 39.098 > 21 22 K 0.65453352829335 0.56307866643896 0.23378089072654 39.098 > 21 23 K 0.65453352829335 0.06307866643896 0.73378089072654 39.098 > 21 24 K 0.65453352829335 0.56307866643896 0.73378089072654 39.098 > 21 25 K 0.84546647170665 0.31307866643896 0.23378089072654 39.098 > 25 26 K 0.84546647170665 0.81307866643896 0.23378089072654 39.098 > 25 27 K 0.84546647170665 0.31307866643896 0.73378089072654 39.098 > 25 28 K 0.84546647170665 0.81307866643896 0.73378089072654 39.098 > 25 29 K 0.84546647170665 0.18692133356104 0.48378089072654 39.098 > 29 30 K 0.84546647170665 0.68692133356104 0.48378089072654 39.098 > 29 31 K 0.84546647170665 0.18692133356104 0.98378089072654 39.098 > 29 32 K 0.84546647170665 0.68692133356104 0.98378089072654 39.098 > 29 33 Mg 0.00000000000000 0.49619035542905 0.37500000000000 24.305 > 33 34 Mg 0.00000000000000 0.99619035542905 0.37500000000000 24.305 > 33 35 Mg 0.00000000000000 0.49619035542905 0.87500000000000 24.305 > 33 36 Mg 0.00000000000000 0.99619035542905 0.87500000000000 24.305 > 33 37 Mg 0.00000000000000 0.00380964457095 0.12500000000000 24.305 > 37 38 Mg 0.00000000000000 0.50380964457095 0.12500000000000 24.305 > 37 39 Mg 0.00000000000000 0.00380964457095 0.62500000000000 24.305 > 37 40 Mg 0.00000000000000 0.50380964457095 0.62500000000000 24.305 > 37 41 Mg 0.50000000000000 0.25380964457095 0.12500000000000 24.305 > 41 42 Mg 0.50000000000000 0.75380964457095 0.12500000000000 24.305 > 41 43 Mg 0.50000000000000 0.25380964457095 0.62500000000000 24.305 > 41 44 Mg 0.50000000000000 0.75380964457095 0.62500000000000 24.305 > 41 45 Mg 0.50000000000000 0.24619035542905 0.37500000000000 24.305 > 45 46 Mg 0.50000000000000 0.74619035542905 0.37500000000000 24.305 > 45 47 Mg 0.50000000000000 0.24619035542905 0.87500000000000 24.305 > 45 48 Mg 0.50000000000000 0.74619035542905 0.87500000000000 24.305 > 45 49 O 0.09410362987312 0.09025410265564 0.49787168507191 15.999 > 49 50 O 0.09410362987312 0.59025410265564 0.49787168507191 15.999 > 49 51 O 0.09410362987312 0.09025410265564 0.99787168507191 15.999 > 49 52 O 0.09410362987312 0.59025410265564 0.99787168507191 15.999 > 49 53 O 0.09410362987312 0.40974589734436 0.24787168507191 15.999 > 53 54 O 0.09410362987312 0.90974589734436 0.24787168507191 15.999 > 53 55 O 0.09410362987312 0.40974589734436 0.74787168507191 15.999 > 53 56 O 0.09410362987312 0.90974589734436 0.74787168507191 15.999 > 53 57 O 0.40589637012689 0.34025410265564 0.49787168507191 15.999 > 57 58 O 0.40589637012689 0.84025410265564 0.49787168507191 15.999 > 57 59 O 0.40589637012689 0.34025410265564 0.99787168507191 15.999 > 57 60 O 0.40589637012689 0.84025410265564 0.99787168507191 15.999 > 57 61 O 0.40589637012689 0.15974589734436 0.24787168507191 15.999 > 61 62 O 0.40589637012689 0.65974589734436 0.24787168507191 15.999 > 61 63 O 0.40589637012689 0.15974589734436 0.74787168507191 15.999 > 61 64 O 0.40589637012689 0.65974589734436 0.74787168507191 15.999 > 61 65 O 0.59410362987312 0.34025410265564 0.25212831492809 15.999 > 65 66 O 0.59410362987312 0.84025410265564 0.25212831492809 15.999 > 65 67 O 0.59410362987312 0.34025410265564 0.75212831492809 15.999 > 65 68 O 0.59410362987312 0.84025410265564 0.75212831492809 15.999 > 65 69 O 0.59410362987312 0.15974589734436 0.00212831492809 15.999 > 69 70 O 0.59410362987312 0.65974589734436 0.00212831492809 15.999 > 69 71 O 0.59410362987312 0.15974589734436 0.50212831492809 15.999 > 69 72 O 0.59410362987312 0.65974589734436 0.50212831492809 15.999 > 69 73 O 0.90589637012688 0.40974589734436 0.00212831492809 15.999 > 73 74 O 0.90589637012688 0.90974589734436 0.00212831492809 15.999 > 73 75 O 0.90589637012688 0.40974589734436 0.50212831492809 15.999 > 73 76 O 0.90589637012688 0.90974589734436 0.50212831492809 15.999 > 73 77 O 0.90589637012688 0.09025410265564 0.25212831492809 15.999 > 77 78 O 0.90589637012688 0.59025410265564 0.25212831492809 15.999 > 77 79 O 0.90589637012688 0.09025410265564 0.75212831492809 15.999 > 77 80 O 0.90589637012688 0.59025410265564 0.75212831492809 15.999 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9526126 0.0000000 0.0000000 0.0000000 3.0402105 0.0000000 0.0000000 0.0000000 3.0578805 -------------------------- Born effective charges -------------------------- 1 K 1.1911312 -0.0303941 -0.0144944 -0.0500990 1.1297273 0.0196933 -0.0077008 0.0221962 1.0506641 2 K 1.1911312 0.0303941 -0.0144944 0.0500990 1.1297273 -0.0196933 -0.0077008 -0.0221962 1.0506641 3 K 1.1911312 -0.0303941 0.0144944 -0.0500990 1.1297273 -0.0196933 0.0077008 -0.0221962 1.0506641 4 K 1.1911312 0.0303941 0.0144944 0.0500990 1.1297273 0.0196933 0.0077008 0.0221962 1.0506641 5 K 1.1911312 0.0303941 0.0144944 0.0500990 1.1297273 0.0196933 0.0077008 0.0221962 1.0506641 6 K 1.1911312 -0.0303941 0.0144944 -0.0500990 1.1297273 -0.0196933 0.0077008 -0.0221962 1.0506641 7 K 1.1911312 0.0303941 -0.0144944 0.0500990 1.1297273 -0.0196933 -0.0077008 -0.0221962 1.0506641 8 K 1.1911312 -0.0303941 -0.0144944 -0.0500990 1.1297273 0.0196933 -0.0077008 0.0221962 1.0506641 9 Mg 1.2951594 0.0000000 -0.0095832 0.0000000 1.4298588 0.0000000 0.0189368 0.0000000 1.9188665 10 Mg 1.2951594 0.0000000 -0.0095832 0.0000000 1.4298588 0.0000000 0.0189368 0.0000000 1.9188665 11 Mg 1.2951594 0.0000000 0.0095832 0.0000000 1.4298588 0.0000000 -0.0189368 0.0000000 1.9188665 12 Mg 1.2951594 0.0000000 0.0095832 0.0000000 1.4298588 0.0000000 -0.0189368 0.0000000 1.9188665 13 O -1.8387108 -0.1903333 0.0024401 -0.2130546 -1.8446568 0.0337732 -0.0152515 -0.0117445 -2.0100973 14 O -1.8387108 0.1903333 0.0024401 0.2130546 -1.8446568 -0.0337732 -0.0152515 0.0117445 -2.0100973 15 O -1.8387108 0.1903333 -0.0024401 0.2130546 -1.8446568 0.0337732 0.0152515 -0.0117445 -2.0100973 16 O -1.8387108 -0.1903333 -0.0024401 -0.2130546 -1.8446568 -0.0337732 0.0152515 0.0117445 -2.0100973 17 O -1.8387108 -0.1903333 -0.0024401 -0.2130546 -1.8446568 -0.0337732 0.0152515 0.0117445 -2.0100973 18 O -1.8387108 0.1903333 -0.0024401 0.2130546 -1.8446568 0.0337732 0.0152515 -0.0117445 -2.0100973 19 O -1.8387108 -0.1903333 0.0024401 -0.2130546 -1.8446568 0.0337732 -0.0152515 -0.0117445 -2.0100973 20 O -1.8387108 0.1903333 0.0024401 0.2130546 -1.8446568 -0.0337732 -0.0152515 0.0117445 -2.0100973 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (xyx) -0.00000001 (xyx) -0.00000001 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xy) -0.00000000 (xy) 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 23:48:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:48:26]------------------------- 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): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.432673860000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.016778790000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.476730050000000 Atomic positions (fractional): 1 K 0.15453352829336 0.62615733287793 0.03243821854692 39.098 2 K 0.15453352829336 0.37384266712207 0.53243821854692 39.098 3 K 0.34546647170665 0.87384266712207 0.53243821854692 39.098 4 K 0.34546647170665 0.12615733287793 0.03243821854692 39.098 5 K 0.65453352829335 0.87384266712207 0.96756178145308 39.098 6 K 0.65453352829335 0.12615733287793 0.46756178145308 39.098 7 K 0.84546647170665 0.62615733287793 0.46756178145308 39.098 8 K 0.84546647170665 0.37384266712207 0.96756178145308 39.098 9 Mg 0.00000000000000 0.99238071085809 0.75000000000000 24.305 10 Mg 0.00000000000000 0.00761928914191 0.25000000000000 24.305 11 Mg 0.50000000000000 0.50761928914191 0.25000000000000 24.305 12 Mg 0.50000000000000 0.49238071085809 0.75000000000000 24.305 13 O 0.09410362987312 0.18050820531128 0.99574337014382 15.999 14 O 0.09410362987312 0.81949179468872 0.49574337014382 15.999 15 O 0.40589637012689 0.68050820531128 0.99574337014382 15.999 16 O 0.40589637012689 0.31949179468872 0.49574337014382 15.999 17 O 0.59410362987312 0.68050820531128 0.50425662985618 15.999 18 O 0.59410362987312 0.31949179468872 0.00425662985618 15.999 19 O 0.90589637012688 0.81949179468872 0.00425662985618 15.999 20 O 0.90589637012688 0.18050820531128 0.50425662985618 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.432673860000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.033557580000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.953460099999999 Atomic positions (fractional): 1 K 0.15453352829336 0.31307866643896 0.01621910927346 39.098 > 1 2 K 0.15453352829336 0.81307866643896 0.01621910927346 39.098 > 1 3 K 0.15453352829336 0.31307866643896 0.51621910927346 39.098 > 1 4 K 0.15453352829336 0.81307866643896 0.51621910927346 39.098 > 1 5 K 0.15453352829336 0.18692133356104 0.26621910927346 39.098 > 5 6 K 0.15453352829336 0.68692133356104 0.26621910927346 39.098 > 5 7 K 0.15453352829336 0.18692133356104 0.76621910927346 39.098 > 5 8 K 0.15453352829336 0.68692133356104 0.76621910927346 39.098 > 5 9 K 0.34546647170665 0.43692133356104 0.26621910927346 39.098 > 9 10 K 0.34546647170665 0.93692133356104 0.26621910927346 39.098 > 9 11 K 0.34546647170665 0.43692133356104 0.76621910927346 39.098 > 9 12 K 0.34546647170665 0.93692133356104 0.76621910927346 39.098 > 9 13 K 0.34546647170665 0.06307866643896 0.01621910927346 39.098 > 13 14 K 0.34546647170665 0.56307866643896 0.01621910927346 39.098 > 13 15 K 0.34546647170665 0.06307866643896 0.51621910927346 39.098 > 13 16 K 0.34546647170665 0.56307866643896 0.51621910927346 39.098 > 13 17 K 0.65453352829335 0.43692133356104 0.48378089072654 39.098 > 17 18 K 0.65453352829335 0.93692133356104 0.48378089072654 39.098 > 17 19 K 0.65453352829335 0.43692133356104 0.98378089072654 39.098 > 17 20 K 0.65453352829335 0.93692133356104 0.98378089072654 39.098 > 17 21 K 0.65453352829335 0.06307866643896 0.23378089072654 39.098 > 21 22 K 0.65453352829335 0.56307866643896 0.23378089072654 39.098 > 21 23 K 0.65453352829335 0.06307866643896 0.73378089072654 39.098 > 21 24 K 0.65453352829335 0.56307866643896 0.73378089072654 39.098 > 21 25 K 0.84546647170665 0.31307866643896 0.23378089072654 39.098 > 25 26 K 0.84546647170665 0.81307866643896 0.23378089072654 39.098 > 25 27 K 0.84546647170665 0.31307866643896 0.73378089072654 39.098 > 25 28 K 0.84546647170665 0.81307866643896 0.73378089072654 39.098 > 25 29 K 0.84546647170665 0.18692133356104 0.48378089072654 39.098 > 29 30 K 0.84546647170665 0.68692133356104 0.48378089072654 39.098 > 29 31 K 0.84546647170665 0.18692133356104 0.98378089072654 39.098 > 29 32 K 0.84546647170665 0.68692133356104 0.98378089072654 39.098 > 29 33 Mg 0.00000000000000 0.49619035542905 0.37500000000000 24.305 > 33 34 Mg 0.00000000000000 0.99619035542905 0.37500000000000 24.305 > 33 35 Mg 0.00000000000000 0.49619035542905 0.87500000000000 24.305 > 33 36 Mg 0.00000000000000 0.99619035542905 0.87500000000000 24.305 > 33 37 Mg 0.00000000000000 0.00380964457095 0.12500000000000 24.305 > 37 38 Mg 0.00000000000000 0.50380964457095 0.12500000000000 24.305 > 37 39 Mg 0.00000000000000 0.00380964457095 0.62500000000000 24.305 > 37 40 Mg 0.00000000000000 0.50380964457095 0.62500000000000 24.305 > 37 41 Mg 0.50000000000000 0.25380964457095 0.12500000000000 24.305 > 41 42 Mg 0.50000000000000 0.75380964457095 0.12500000000000 24.305 > 41 43 Mg 0.50000000000000 0.25380964457095 0.62500000000000 24.305 > 41 44 Mg 0.50000000000000 0.75380964457095 0.62500000000000 24.305 > 41 45 Mg 0.50000000000000 0.24619035542905 0.37500000000000 24.305 > 45 46 Mg 0.50000000000000 0.74619035542905 0.37500000000000 24.305 > 45 47 Mg 0.50000000000000 0.24619035542905 0.87500000000000 24.305 > 45 48 Mg 0.50000000000000 0.74619035542905 0.87500000000000 24.305 > 45 49 O 0.09410362987312 0.09025410265564 0.49787168507191 15.999 > 49 50 O 0.09410362987312 0.59025410265564 0.49787168507191 15.999 > 49 51 O 0.09410362987312 0.09025410265564 0.99787168507191 15.999 > 49 52 O 0.09410362987312 0.59025410265564 0.99787168507191 15.999 > 49 53 O 0.09410362987312 0.40974589734436 0.24787168507191 15.999 > 53 54 O 0.09410362987312 0.90974589734436 0.24787168507191 15.999 > 53 55 O 0.09410362987312 0.40974589734436 0.74787168507191 15.999 > 53 56 O 0.09410362987312 0.90974589734436 0.74787168507191 15.999 > 53 57 O 0.40589637012689 0.34025410265564 0.49787168507191 15.999 > 57 58 O 0.40589637012689 0.84025410265564 0.49787168507191 15.999 > 57 59 O 0.40589637012689 0.34025410265564 0.99787168507191 15.999 > 57 60 O 0.40589637012689 0.84025410265564 0.99787168507191 15.999 > 57 61 O 0.40589637012689 0.15974589734436 0.24787168507191 15.999 > 61 62 O 0.40589637012689 0.65974589734436 0.24787168507191 15.999 > 61 63 O 0.40589637012689 0.15974589734436 0.74787168507191 15.999 > 61 64 O 0.40589637012689 0.65974589734436 0.74787168507191 15.999 > 61 65 O 0.59410362987312 0.34025410265564 0.25212831492809 15.999 > 65 66 O 0.59410362987312 0.84025410265564 0.25212831492809 15.999 > 65 67 O 0.59410362987312 0.34025410265564 0.75212831492809 15.999 > 65 68 O 0.59410362987312 0.84025410265564 0.75212831492809 15.999 > 65 69 O 0.59410362987312 0.15974589734436 0.00212831492809 15.999 > 69 70 O 0.59410362987312 0.65974589734436 0.00212831492809 15.999 > 69 71 O 0.59410362987312 0.15974589734436 0.50212831492809 15.999 > 69 72 O 0.59410362987312 0.65974589734436 0.50212831492809 15.999 > 69 73 O 0.90589637012688 0.40974589734436 0.00212831492809 15.999 > 73 74 O 0.90589637012688 0.90974589734436 0.00212831492809 15.999 > 73 75 O 0.90589637012688 0.40974589734436 0.50212831492809 15.999 > 73 76 O 0.90589637012688 0.90974589734436 0.50212831492809 15.999 > 73 77 O 0.90589637012688 0.09025410265564 0.25212831492809 15.999 > 77 78 O 0.90589637012688 0.59025410265564 0.25212831492809 15.999 > 77 79 O 0.90589637012688 0.09025410265564 0.75212831492809 15.999 > 77 80 O 0.90589637012688 0.59025410265564 0.75212831492809 15.999 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.9526126 0.0000000 0.0000000 0.0000000 3.0402105 0.0000000 0.0000000 0.0000000 3.0578805 -------------------------- Born effective charges -------------------------- 1 K 1.1911312 -0.0303941 -0.0144944 -0.0500990 1.1297273 0.0196933 -0.0077008 0.0221962 1.0506641 2 K 1.1911312 0.0303941 -0.0144944 0.0500990 1.1297273 -0.0196933 -0.0077008 -0.0221962 1.0506641 3 K 1.1911312 -0.0303941 0.0144944 -0.0500990 1.1297273 -0.0196933 0.0077008 -0.0221962 1.0506641 4 K 1.1911312 0.0303941 0.0144944 0.0500990 1.1297273 0.0196933 0.0077008 0.0221962 1.0506641 5 K 1.1911312 0.0303941 0.0144944 0.0500990 1.1297273 0.0196933 0.0077008 0.0221962 1.0506641 6 K 1.1911312 -0.0303941 0.0144944 -0.0500990 1.1297273 -0.0196933 0.0077008 -0.0221962 1.0506641 7 K 1.1911312 0.0303941 -0.0144944 0.0500990 1.1297273 -0.0196933 -0.0077008 -0.0221962 1.0506641 8 K 1.1911312 -0.0303941 -0.0144944 -0.0500990 1.1297273 0.0196933 -0.0077008 0.0221962 1.0506641 9 Mg 1.2951594 0.0000000 -0.0095832 0.0000000 1.4298588 0.0000000 0.0189368 0.0000000 1.9188665 10 Mg 1.2951594 0.0000000 -0.0095832 0.0000000 1.4298588 0.0000000 0.0189368 0.0000000 1.9188665 11 Mg 1.2951594 0.0000000 0.0095832 0.0000000 1.4298588 0.0000000 -0.0189368 0.0000000 1.9188665 12 Mg 1.2951594 0.0000000 0.0095832 0.0000000 1.4298588 0.0000000 -0.0189368 0.0000000 1.9188665 13 O -1.8387108 -0.1903333 0.0024401 -0.2130546 -1.8446568 0.0337732 -0.0152515 -0.0117445 -2.0100973 14 O -1.8387108 0.1903333 0.0024401 0.2130546 -1.8446568 -0.0337732 -0.0152515 0.0117445 -2.0100973 15 O -1.8387108 0.1903333 -0.0024401 0.2130546 -1.8446568 0.0337732 0.0152515 -0.0117445 -2.0100973 16 O -1.8387108 -0.1903333 -0.0024401 -0.2130546 -1.8446568 -0.0337732 0.0152515 0.0117445 -2.0100973 17 O -1.8387108 -0.1903333 -0.0024401 -0.2130546 -1.8446568 -0.0337732 0.0152515 0.0117445 -2.0100973 18 O -1.8387108 0.1903333 -0.0024401 0.2130546 -1.8446568 0.0337732 0.0152515 -0.0117445 -2.0100973 19 O -1.8387108 -0.1903333 0.0024401 -0.2130546 -1.8446568 0.0337732 -0.0152515 -0.0117445 -2.0100973 20 O -1.8387108 0.1903333 0.0024401 0.2130546 -1.8446568 -0.0337732 -0.0152515 0.0117445 -2.0100973 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (xyx) -0.00000001 (xyx) -0.00000001 (xxy) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- 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 ... [ 5 8 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.59, Number of G-points: 297, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/75) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 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 0.974 ( 0.000 0.000 0.000) 0.000 1.592 ( 0.000 0.000 0.000) 0.000 1.785 ( 0.000 0.000 0.000) 0.000 1.900 ( 0.000 0.000 0.000) 0.000 2.062 ( 0.000 0.000 0.000) 0.000 2.500 ( 0.000 0.000 0.000) 0.000 2.626 ( 0.000 0.000 0.000) 0.000 3.188 ( 0.000 0.000 0.000) 0.000 3.232 ( 0.000 0.000 0.000) 0.000 3.496 ( 0.000 0.000 0.000) 0.000 3.610 ( 0.000 0.000 0.000) 0.000 3.727 ( 0.000 0.000 0.000) 0.000 4.048 ( 0.000 0.000 0.000) 0.000 4.139 ( 0.000 0.000 0.000) 0.000 4.237 ( 0.000 0.000 0.000) 0.000 4.245 ( 0.000 0.000 0.000) 0.000 4.615 ( 0.000 0.000 0.000) 0.000 4.629 ( 0.000 0.000 0.000) 0.000 4.680 ( 0.000 0.000 0.000) 0.000 4.897 ( 0.000 0.000 0.000) 0.000 4.985 ( 0.000 0.000 0.000) 0.000 5.408 ( 0.000 0.000 0.000) 0.000 5.414 ( 0.000 0.000 0.000) 0.000 5.502 ( 0.000 0.000 0.000) 0.000 5.667 ( 0.000 0.000 0.000) 0.000 5.776 ( 0.000 0.000 0.000) 0.000 6.024 ( 0.000 0.000 0.000) 0.000 6.122 ( 0.000 0.000 0.000) 0.000 6.341 ( 0.000 0.000 0.000) 0.000 7.176 ( 0.000 0.000 0.000) 0.000 7.526 ( 0.000 0.000 0.000) 0.000 7.653 ( 0.000 0.000 0.000) 0.000 7.781 ( 0.000 0.000 0.000) 0.000 7.854 ( 0.000 0.000 0.000) 0.000 8.039 ( 0.000 0.000 0.000) 0.000 8.371 ( 0.000 0.000 0.000) 0.000 8.800 ( 0.000 0.000 0.000) 0.000 9.399 ( 0.000 0.000 0.000) 0.000 9.664 ( 0.000 0.000 0.000) 0.000 11.583 ( 0.000 0.000 0.000) 0.000 11.683 ( 0.000 0.000 0.000) 0.000 12.231 ( 0.000 0.000 0.000) 0.000 12.319 ( 0.000 0.000 0.000) 0.000 12.370 ( 0.000 0.000 0.000) 0.000 12.472 ( 0.000 0.000 0.000) 0.000 12.592 ( 0.000 0.000 0.000) 0.000 12.771 ( 0.000 0.000 0.000) 0.000 13.397 ( 0.000 0.000 0.000) 0.000 13.598 ( 0.000 0.000 0.000) 0.000 14.297 ( 0.000 0.000 0.000) 0.000 14.334 ( 0.000 0.000 0.000) 0.000 14.551 ( 0.000 0.000 0.000) 0.000 14.694 ( 0.000 0.000 0.000) 0.000 14.753 ( 0.000 0.000 0.000) 0.000 16.269 ( 0.000 0.000 0.000) 0.000 16.438 ( 0.000 0.000 0.000) 0.000 16.576 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/75) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.355 ( 17.618 0.000 0.000) 17.618 0.571 ( 29.088 0.000 0.000) 29.088 0.919 ( 5.312 0.000 0.000) 5.312 1.158 ( 49.436 0.000 0.000) 49.436 1.596 ( 0.086 0.000 0.000) 0.086 1.726 ( -6.282 0.000 0.000) 6.282 1.794 ( -7.412 0.000 0.000) 7.412 2.178 ( 8.444 0.000 0.000) 8.444 2.469 ( -2.381 0.000 0.000) 2.381 2.593 ( -3.405 0.000 0.000) 3.405 3.008 ( -15.068 0.000 0.000) 15.068 3.264 ( 1.963 0.000 0.000) 1.963 3.547 ( 8.230 0.000 0.000) 8.230 3.774 ( 12.492 0.000 0.000) 12.492 3.842 ( 8.013 0.000 0.000) 8.013 3.941 ( -19.206 0.000 0.000) 19.206 3.977 ( -7.247 0.000 0.000) 7.247 4.228 ( -1.385 0.000 0.000) 1.385 4.317 ( 2.851 0.000 0.000) 2.851 4.562 ( -3.927 0.000 0.000) 3.927 4.564 ( -4.514 0.000 0.000) 4.514 4.766 ( 5.886 0.000 0.000) 5.886 4.879 ( -8.386 0.000 0.000) 8.386 4.984 ( -0.414 0.000 0.000) 0.414 5.163 ( -8.090 0.000 0.000) 8.090 5.389 ( -2.136 0.000 0.000) 2.136 5.469 ( -3.119 0.000 0.000) 3.119 5.575 ( -7.000 0.000 0.000) 7.000 5.833 ( 3.939 0.000 0.000) 3.939 6.084 ( -3.642 0.000 0.000) 3.642 6.390 ( 26.235 0.000 0.000) 26.235 7.228 ( 5.174 0.000 0.000) 5.174 7.440 ( -8.315 0.000 0.000) 8.315 7.612 ( -4.136 0.000 0.000) 4.136 7.765 ( -0.080 0.000 0.000) 0.080 7.843 ( -1.076 0.000 0.000) 1.076 7.984 ( 5.051 0.000 0.000) 5.051 8.038 ( -0.064 0.000 0.000) 0.064 8.537 ( 7.068 0.000 0.000) 7.068 8.892 ( 9.130 0.000 0.000) 9.130 9.308 ( -9.286 0.000 0.000) 9.286 9.589 ( -7.655 0.000 0.000) 7.655 11.592 ( 0.909 0.000 0.000) 0.909 11.673 ( -1.036 0.000 0.000) 1.036 12.249 ( 1.861 0.000 0.000) 1.861 12.324 ( 0.435 0.000 0.000) 0.435 12.364 ( -0.541 0.000 0.000) 0.541 12.443 ( -2.838 0.000 0.000) 2.838 12.611 ( 1.832 0.000 0.000) 1.832 12.755 ( -1.628 0.000 0.000) 1.628 13.606 ( 0.718 0.000 0.000) 0.718 13.661 ( -0.617 0.000 0.000) 0.617 14.339 ( 4.198 0.000 0.000) 4.198 14.569 ( 1.852 0.000 0.000) 1.852 14.659 ( -3.508 0.000 0.000) 3.508 14.732 ( -2.068 0.000 0.000) 2.068 16.295 ( 2.657 0.000 0.000) 2.657 16.451 ( 1.382 0.000 0.000) 1.382 16.495 ( -2.147 0.000 0.000) 2.147 16.563 ( -1.280 0.000 0.000) 1.280 ======================= Grid point 2 (3/75) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.658 ( 13.562 0.000 0.000) 13.562 0.859 ( -7.119 0.000 0.000) 7.119 1.098 ( 25.350 0.000 0.000) 25.350 1.512 ( -16.810 0.000 0.000) 16.810 1.589 ( 2.194 0.000 0.000) 2.194 1.664 ( -5.637 0.000 0.000) 5.637 2.190 ( 47.693 0.000 0.000) 47.693 2.339 ( 7.775 0.000 0.000) 7.775 2.490 ( 6.367 0.000 0.000) 6.367 2.511 ( -2.722 0.000 0.000) 2.722 2.706 ( -14.911 0.000 0.000) 14.911 3.069 ( -31.291 0.000 0.000) 31.291 3.657 ( -0.365 0.000 0.000) 0.365 3.770 ( 12.398 0.000 0.000) 12.398 3.797 ( -10.393 0.000 0.000) 10.393 3.922 ( -1.566 0.000 0.000) 1.566 4.004 ( 10.418 0.000 0.000) 10.418 4.160 ( -5.956 0.000 0.000) 5.956 4.415 ( 7.494 0.000 0.000) 7.494 4.492 ( -1.838 0.000 0.000) 1.838 4.500 ( -2.235 0.000 0.000) 2.235 4.612 ( -13.281 0.000 0.000) 13.281 4.880 ( 5.481 0.000 0.000) 5.481 4.959 ( -2.528 0.000 0.000) 2.528 5.208 ( 6.313 0.000 0.000) 6.313 5.321 ( -4.941 0.000 0.000) 4.941 5.414 ( -1.353 0.000 0.000) 1.353 5.450 ( -5.007 0.000 0.000) 5.007 5.911 ( 4.254 0.000 0.000) 4.254 5.999 ( -4.815 0.000 0.000) 4.815 6.864 ( 22.067 0.000 0.000) 22.067 7.219 ( -14.892 0.000 0.000) 14.892 7.356 ( 7.671 0.000 0.000) 7.671 7.502 ( -7.058 0.000 0.000) 7.058 7.782 ( 1.537 0.000 0.000) 1.537 7.815 ( -1.731 0.000 0.000) 1.731 8.037 ( 0.728 0.000 0.000) 0.728 8.038 ( 0.156 0.000 0.000) 0.156 8.759 ( 15.129 0.000 0.000) 15.129 9.064 ( -15.369 0.000 0.000) 15.369 9.121 ( 13.814 0.000 0.000) 13.814 9.386 ( -12.937 0.000 0.000) 12.937 11.616 ( 1.520 0.000 0.000) 1.520 11.646 ( -1.598 0.000 0.000) 1.598 12.300 ( 3.422 0.000 0.000) 3.422 12.335 ( 0.747 0.000 0.000) 0.747 12.351 ( -0.811 0.000 0.000) 0.811 12.374 ( -4.008 0.000 0.000) 4.008 12.657 ( 2.833 0.000 0.000) 2.833 12.712 ( -2.711 0.000 0.000) 2.711 13.624 ( 1.101 0.000 0.000) 1.101 13.645 ( -1.039 0.000 0.000) 1.039 14.445 ( 6.348 0.000 0.000) 6.348 14.566 ( -5.936 0.000 0.000) 5.936 14.618 ( 3.066 0.000 0.000) 3.066 14.680 ( -3.194 0.000 0.000) 3.194 16.362 ( 3.993 0.000 0.000) 3.993 16.438 ( -3.683 0.000 0.000) 3.683 16.487 ( 2.182 0.000 0.000) 2.182 16.529 ( -2.120 0.000 0.000) 2.120 ======================= Grid point 5 (4/75) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.427 ( 0.000 19.996 0.000) 19.996 0.626 ( 0.000 29.798 0.000) 29.798 1.041 ( 0.000 39.862 0.000) 39.862 1.103 ( 0.000 20.422 0.000) 20.422 1.584 ( 0.000 -0.664 0.000) 0.664 1.888 ( 0.000 5.424 0.000) 5.424 1.976 ( 0.000 -7.189 0.000) 7.189 2.009 ( 0.000 13.670 0.000) 13.670 2.463 ( 0.000 -3.014 0.000) 3.014 2.539 ( 0.000 -7.936 0.000) 7.936 3.141 ( 0.000 -6.176 0.000) 6.176 3.260 ( 0.000 1.794 0.000) 1.794 3.369 ( 0.000 -10.921 0.000) 10.921 3.453 ( 0.000 -11.776 0.000) 11.776 3.654 ( 0.000 -6.809 0.000) 6.809 4.122 ( 0.000 -8.796 0.000) 8.796 4.138 ( 0.000 7.819 0.000) 7.819 4.249 ( 0.000 7.265 0.000) 7.265 4.346 ( 0.000 5.706 0.000) 5.706 4.593 ( 0.000 -0.913 0.000) 0.913 4.598 ( 0.000 -2.625 0.000) 2.625 4.693 ( 0.000 1.322 0.000) 1.322 4.949 ( 0.000 3.648 0.000) 3.648 5.156 ( 0.000 -7.126 0.000) 7.126 5.332 ( 0.000 -7.408 0.000) 7.408 5.419 ( 0.000 1.372 0.000) 1.372 5.685 ( 0.000 0.295 0.000) 0.295 5.751 ( 0.000 -1.979 0.000) 1.979 6.024 ( 0.000 0.194 0.000) 0.194 6.066 ( 0.000 -4.284 0.000) 4.284 6.331 ( 0.000 -1.027 0.000) 1.027 7.080 ( 0.000 -18.541 0.000) 18.541 7.183 ( 0.000 0.782 0.000) 0.782 7.622 ( 0.000 -2.704 0.000) 2.704 7.727 ( 0.000 9.810 0.000) 9.810 7.824 ( 0.000 3.899 0.000) 3.899 7.887 ( 0.000 2.982 0.000) 2.982 8.162 ( 0.000 11.015 0.000) 11.015 8.497 ( 0.000 10.771 0.000) 10.771 8.635 ( 0.000 -13.821 0.000) 13.821 9.419 ( 0.000 1.233 0.000) 1.233 9.673 ( 0.000 -1.775 0.000) 1.775 11.586 ( 0.000 0.343 0.000) 0.343 11.680 ( 0.000 -0.268 0.000) 0.268 12.265 ( 0.000 3.187 0.000) 3.187 12.324 ( 0.000 0.444 0.000) 0.444 12.371 ( 0.000 0.151 0.000) 0.151 12.499 ( 0.000 2.524 0.000) 2.524 12.590 ( 0.000 -0.233 0.000) 0.233 12.761 ( 0.000 -1.520 0.000) 1.520 13.393 ( 0.000 -0.279 0.000) 0.279 13.597 ( 0.000 -0.181 0.000) 0.181 14.320 ( 0.000 -1.113 0.000) 1.113 14.585 ( 0.000 3.116 0.000) 3.116 14.762 ( 0.000 1.934 0.000) 1.934 14.869 ( 0.000 14.561 0.000) 14.561 15.974 ( 0.000 -21.967 0.000) 21.967 16.449 ( 0.000 1.107 0.000) 1.107 16.558 ( 0.000 -3.013 0.000) 3.013 16.695 ( 0.000 5.717 0.000) 5.717 ======================= Grid point 6 (5/75) ======================= q-point: ( 0.20 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.546 ( 10.562 14.797 0.000) 18.180 0.679 ( 15.289 17.121 0.000) 22.954 1.074 ( -2.158 10.283 0.000) 10.507 1.575 ( 21.142 20.195 0.000) 29.238 1.610 ( 20.713 14.404 0.000) 25.229 1.787 ( -7.856 2.410 0.000) 8.217 1.905 ( -6.860 12.048 0.000) 13.864 2.089 ( 4.819 -6.573 0.000) 8.151 2.429 ( -1.526 -2.862 0.000) 3.243 2.506 ( -3.218 -7.682 0.000) 8.329 2.988 ( -12.842 -3.452 0.000) 13.298 3.300 ( 3.560 2.049 0.000) 4.108 3.430 ( 8.025 -7.912 0.000) 11.270 3.610 ( 10.960 -12.234 0.000) 16.425 3.764 ( 8.100 -8.528 0.000) 11.762 3.978 ( -9.519 1.272 0.000) 9.604 4.103 ( -13.548 9.764 0.000) 16.700 4.177 ( -1.830 -4.242 0.000) 4.620 4.360 ( 2.231 5.452 0.000) 5.890 4.558 ( -2.714 -0.396 0.000) 2.743 4.562 ( -3.119 0.209 0.000) 3.126 4.752 ( 4.644 -0.975 0.000) 4.745 4.929 ( -9.057 4.039 0.000) 9.917 5.038 ( -8.367 -3.193 0.000) 8.956 5.156 ( -10.181 -0.905 0.000) 10.221 5.256 ( -3.899 -7.102 0.000) 8.102 5.576 ( -3.910 0.523 0.000) 3.945 5.841 ( 3.154 0.815 0.000) 3.258 5.875 ( -18.324 15.301 0.000) 23.872 6.057 ( -2.732 0.366 0.000) 2.756 6.375 ( 25.671 -2.001 0.000) 25.749 7.227 ( 4.418 0.066 0.000) 4.419 7.513 ( -2.754 -14.629 0.000) 14.886 7.580 ( -4.216 -2.772 0.000) 5.046 7.617 ( 11.307 -3.216 0.000) 11.755 7.850 ( 4.208 1.835 0.000) 4.591 7.881 ( -0.712 3.296 0.000) 3.372 8.145 ( -1.504 8.923 0.000) 9.049 8.521 ( 2.252 6.781 0.000) 7.145 8.698 ( 5.211 -14.352 0.000) 15.269 9.365 ( -4.656 3.375 0.000) 5.751 9.607 ( -6.417 -0.044 0.000) 6.417 11.595 ( 0.868 0.299 0.000) 0.918 11.671 ( -0.966 -0.200 0.000) 0.986 12.286 ( 2.195 3.480 0.000) 4.115 12.328 ( 0.420 0.436 0.000) 0.605 12.367 ( -0.475 0.219 0.000) 0.523 12.495 ( -1.866 3.879 0.000) 4.304 12.606 ( 1.668 -0.400 0.000) 1.715 12.743 ( -1.695 -1.263 0.000) 2.114 13.519 ( 7.210 -6.382 0.000) 9.628 13.601 ( 0.388 -0.433 0.000) 0.582 14.356 ( 4.281 -0.660 0.000) 4.332 14.601 ( 1.670 2.953 0.000) 3.393 14.744 ( -1.873 2.341 0.000) 2.998 14.808 ( -5.953 11.235 0.000) 12.715 16.020 ( 4.332 -19.154 0.000) 19.638 16.330 ( -6.298 -2.004 0.000) 6.609 16.622 ( 2.339 1.582 0.000) 2.824 16.687 ( -0.723 5.768 0.000) 5.814 ======================= Grid point 7 (6/75) ======================= q-point: ( 0.40 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( 11.067 9.348 0.000) 14.487 0.928 ( -3.314 6.737 0.000) 7.509 1.157 ( 20.572 6.228 0.000) 21.494 1.564 ( -17.659 3.639 0.000) 18.030 1.633 ( 3.531 3.843 0.000) 5.219 1.737 ( -7.821 6.872 0.000) 10.411 2.193 ( 6.647 -9.778 0.000) 11.824 2.263 ( 10.912 1.296 0.000) 10.989 2.478 ( 6.225 -0.808 0.000) 6.277 2.508 ( 11.958 4.299 0.000) 12.707 2.784 ( 0.163 6.553 0.000) 6.555 3.229 ( -20.964 10.936 0.000) 23.645 3.562 ( 6.200 -4.293 0.000) 7.541 3.743 ( -10.710 -4.186 0.000) 11.499 3.784 ( 9.498 -6.371 0.000) 11.437 3.904 ( 0.605 -1.863 0.000) 1.959 3.956 ( 2.792 -0.317 0.000) 2.810 4.066 ( -7.979 -9.366 0.000) 12.304 4.439 ( 5.833 3.487 0.000) 6.796 4.514 ( -1.882 1.346 0.000) 2.314 4.517 ( -0.468 2.601 0.000) 2.643 4.636 ( -13.294 2.407 0.000) 13.510 4.851 ( 4.866 -2.357 0.000) 5.407 4.934 ( -3.837 -3.038 0.000) 4.894 5.155 ( 2.714 -4.607 0.000) 5.347 5.199 ( -2.303 -6.824 0.000) 7.202 5.534 ( 0.619 6.328 0.000) 6.358 5.627 ( -8.931 11.177 0.000) 14.307 5.911 ( 4.176 0.676 0.000) 4.231 5.993 ( -4.088 0.865 0.000) 4.178 6.845 ( 22.454 -2.929 0.000) 22.645 7.228 ( -17.728 -1.636 0.000) 17.803 7.339 ( 6.812 -1.368 0.000) 6.948 7.472 ( -6.663 -2.480 0.000) 7.109 7.805 ( 3.879 0.922 0.000) 3.987 7.856 ( -1.910 3.429 0.000) 3.925 8.011 ( 8.528 -4.375 0.000) 9.585 8.108 ( -2.637 4.334 0.000) 5.074 8.611 ( 7.562 -4.210 0.000) 8.655 8.743 ( -2.988 -14.790 0.000) 15.089 9.319 ( 2.324 6.899 0.000) 7.280 9.449 ( -9.102 3.353 0.000) 9.700 11.618 ( 1.420 0.165 0.000) 1.429 11.646 ( -1.490 -0.030 0.000) 1.490 12.339 ( 0.710 0.405 0.000) 0.817 12.345 ( 3.387 3.719 0.000) 5.030 12.355 ( -0.184 0.827 0.000) 0.847 12.430 ( -4.347 4.811 0.000) 6.484 12.649 ( 2.635 -0.755 0.000) 2.741 12.701 ( -2.587 -1.079 0.000) 2.803 13.598 ( 1.647 -3.515 0.000) 3.882 13.608 ( 0.183 -1.335 0.000) 1.348 14.483 ( 8.442 1.317 0.000) 8.544 14.645 ( 2.765 2.525 0.000) 3.745 14.654 ( -8.701 6.179 0.000) 10.672 14.702 ( -3.088 1.941 0.000) 3.647 16.120 ( 5.695 -13.685 0.000) 14.823 16.226 ( -5.189 -8.055 0.000) 9.582 16.650 ( 1.031 4.802 0.000) 4.911 16.670 ( -1.044 5.712 0.000) 5.807 ======================= Grid point 10 (7/75) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( 0.000 17.192 0.000) 17.192 1.227 ( 0.000 27.442 0.000) 27.442 1.351 ( 0.000 14.339 0.000) 14.339 1.568 ( 0.000 -0.689 0.000) 0.689 1.835 ( 0.000 -4.624 0.000) 4.624 1.973 ( 0.000 2.988 0.000) 2.988 2.056 ( 0.000 44.419 0.000) 44.419 2.330 ( 0.000 -11.203 0.000) 11.203 2.399 ( 0.000 -2.549 0.000) 2.549 2.411 ( 0.000 21.476 0.000) 21.476 3.017 ( 0.000 -3.868 0.000) 3.868 3.106 ( 0.000 -13.129 0.000) 13.129 3.232 ( 0.000 -6.898 0.000) 6.898 3.268 ( 0.000 -1.582 0.000) 1.582 3.467 ( 0.000 -10.506 0.000) 10.506 3.819 ( 0.000 -19.928 0.000) 19.928 4.331 ( 0.000 9.888 0.000) 9.888 4.349 ( 0.000 1.413 0.000) 1.413 4.472 ( 0.000 6.379 0.000) 6.379 4.541 ( 0.000 -2.297 0.000) 2.297 4.626 ( 0.000 3.971 0.000) 3.971 4.730 ( 0.000 2.016 0.000) 2.016 4.944 ( 0.000 -13.401 0.000) 13.401 4.990 ( 0.000 -0.595 0.000) 0.595 5.106 ( 0.000 -13.548 0.000) 13.548 5.499 ( 0.000 5.544 0.000) 5.544 5.612 ( 0.000 -7.568 0.000) 7.568 5.722 ( 0.000 -0.119 0.000) 0.119 5.982 ( 0.000 -3.582 0.000) 3.582 6.045 ( 0.000 1.983 0.000) 1.983 6.298 ( 0.000 -2.070 0.000) 2.070 6.684 ( 0.000 -18.880 0.000) 18.880 7.211 ( 0.000 1.962 0.000) 1.962 7.548 ( 0.000 -4.317 0.000) 4.317 7.884 ( 0.000 5.600 0.000) 5.600 7.924 ( 0.000 5.091 0.000) 5.091 7.961 ( 0.000 3.701 0.000) 3.701 8.329 ( 0.000 -13.473 0.000) 13.473 8.447 ( 0.000 15.113 0.000) 15.113 8.744 ( 0.000 11.306 0.000) 11.306 9.437 ( 0.000 0.655 0.000) 0.655 9.621 ( 0.000 -3.026 0.000) 3.026 11.597 ( 0.000 0.641 0.000) 0.641 11.671 ( 0.000 -0.662 0.000) 0.662 12.337 ( 0.000 0.733 0.000) 0.733 12.357 ( 0.000 5.484 0.000) 5.484 12.375 ( 0.000 0.161 0.000) 0.161 12.567 ( 0.000 3.598 0.000) 3.598 12.586 ( 0.000 -0.057 0.000) 0.057 12.718 ( 0.000 -2.449 0.000) 2.449 13.393 ( 0.000 0.570 0.000) 0.570 13.589 ( 0.000 -0.652 0.000) 0.652 14.302 ( 0.000 -0.113 0.000) 0.113 14.669 ( 0.000 4.617 0.000) 4.617 14.803 ( 0.000 1.957 0.000) 1.957 15.254 ( 0.000 20.701 0.000) 20.701 15.462 ( 0.000 -26.034 0.000) 26.034 16.461 ( 0.000 -6.355 0.000) 6.355 16.484 ( 0.000 2.326 0.000) 2.326 16.753 ( 0.000 0.043 0.000) 0.043 ======================= Grid point 11 (8/75) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( 5.217 15.267 0.000) 16.133 1.140 ( -2.512 22.433 0.000) 22.574 1.329 ( -2.918 14.464 0.000) 14.756 1.623 ( 5.010 2.448 0.000) 5.576 1.791 ( -4.504 -1.567 0.000) 4.769 1.983 ( 0.683 -0.814 0.000) 1.063 2.200 ( -14.971 8.674 0.000) 17.302 2.249 ( 1.293 2.491 0.000) 2.806 2.420 ( 22.117 24.660 0.000) 33.125 2.423 ( 0.687 6.264 0.000) 6.301 2.895 ( -9.602 -4.175 0.000) 10.470 3.240 ( 8.815 -12.850 0.000) 15.583 3.318 ( 8.961 -0.245 0.000) 8.965 3.379 ( 10.483 -5.318 0.000) 11.755 3.528 ( 3.533 -13.492 0.000) 13.947 3.816 ( 0.166 -15.933 0.000) 15.934 4.223 ( -11.540 8.212 0.000) 14.164 4.252 ( -9.644 3.719 0.000) 10.337 4.493 ( 2.276 6.425 0.000) 6.816 4.540 ( 0.061 -1.265 0.000) 1.267 4.607 ( -1.832 3.393 0.000) 3.857 4.746 ( 1.336 0.646 0.000) 1.484 4.884 ( -3.815 -10.057 0.000) 10.757 4.995 ( -1.177 -0.349 0.000) 1.228 5.068 ( -2.360 -10.798 0.000) 11.053 5.141 ( -22.073 1.484 0.000) 22.123 5.612 ( 2.147 2.759 0.000) 3.496 5.861 ( 4.180 0.594 0.000) 4.222 5.921 ( -7.248 -2.654 0.000) 7.718 6.165 ( -6.182 4.380 0.000) 7.576 6.288 ( 20.608 -6.060 0.000) 21.480 6.947 ( 15.171 -27.133 0.000) 31.086 7.237 ( 2.709 0.955 0.000) 2.872 7.508 ( -3.937 -4.043 0.000) 5.643 7.778 ( -7.523 7.556 0.000) 10.663 7.937 ( 1.929 5.091 0.000) 5.444 7.959 ( -0.552 3.608 0.000) 3.650 8.228 ( -6.836 -6.115 0.000) 9.172 8.556 ( 7.121 6.861 0.000) 9.888 8.732 ( -1.246 10.810 0.000) 10.881 9.416 ( -1.616 1.681 0.000) 2.332 9.584 ( -3.779 -1.865 0.000) 4.214 11.604 ( 0.697 0.516 0.000) 0.867 11.663 ( -0.755 -0.527 0.000) 0.920 12.341 ( 0.401 0.726 0.000) 0.830 12.372 ( -0.264 0.398 0.000) 0.478 12.387 ( 2.944 5.834 0.000) 6.535 12.587 ( 0.585 4.665 0.000) 4.701 12.597 ( 1.183 -0.372 0.000) 1.240 12.705 ( -1.356 -2.223 0.000) 2.604 13.438 ( 4.269 -2.093 0.000) 4.754 13.587 ( -0.276 -0.985 0.000) 1.023 14.324 ( 2.989 -1.512 0.000) 3.349 14.681 ( 1.230 4.366 0.000) 4.536 14.789 ( -1.409 2.132 0.000) 2.555 15.007 ( -16.638 1.361 0.000) 16.693 15.688 ( 14.529 -6.844 0.000) 16.060 16.320 ( -8.095 -0.234 0.000) 8.098 16.601 ( 5.351 -2.327 0.000) 5.835 16.745 ( -0.814 -0.004 0.000) 0.814 ======================= Grid point 12 (9/75) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( 7.233 11.714 0.000) 13.768 1.118 ( -4.153 10.307 0.000) 11.113 1.367 ( 10.567 13.684 0.000) 17.289 1.634 ( -12.952 3.621 0.000) 13.448 1.734 ( 6.446 5.393 0.000) 8.404 1.888 ( -10.457 4.917 0.000) 11.556 2.065 ( 3.629 -0.969 0.000) 3.756 2.171 ( -6.057 -6.583 0.000) 8.946 2.486 ( 5.975 2.515 0.000) 6.483 2.636 ( -8.264 3.781 0.000) 9.088 3.031 ( 26.877 16.388 0.000) 31.479 3.337 ( 0.058 -5.689 0.000) 5.689 3.496 ( 0.902 -7.859 0.000) 7.910 3.531 ( -2.924 -15.556 0.000) 15.828 3.590 ( 14.515 0.589 0.000) 14.527 3.821 ( -3.457 -11.365 0.000) 11.879 3.970 ( -9.023 7.924 0.000) 12.009 4.026 ( -10.818 5.819 0.000) 12.283 4.548 ( 0.716 0.968 0.000) 1.204 4.553 ( 3.295 6.638 0.000) 7.410 4.575 ( -0.386 1.448 0.000) 1.498 4.698 ( -10.069 2.783 0.000) 10.446 4.825 ( -1.176 1.594 0.000) 1.981 4.843 ( -1.238 -4.397 0.000) 4.568 5.025 ( 0.017 -7.653 0.000) 7.653 5.034 ( -1.108 -8.975 0.000) 9.043 5.655 ( 2.892 4.824 0.000) 5.625 5.756 ( -7.911 2.047 0.000) 8.172 5.957 ( 6.108 3.254 0.000) 6.921 6.070 ( -5.171 5.284 0.000) 7.393 6.684 ( 19.502 -13.205 0.000) 23.553 6.994 ( -10.502 -21.496 0.000) 23.924 7.311 ( 4.798 -1.182 0.000) 4.942 7.413 ( -5.517 -3.048 0.000) 6.303 7.784 ( 7.847 0.249 0.000) 7.851 7.920 ( -4.265 1.342 0.000) 4.471 7.993 ( 3.916 3.333 0.000) 5.143 8.096 ( -6.706 -3.414 0.000) 7.525 8.661 ( 3.454 6.379 0.000) 7.254 8.703 ( -1.575 9.084 0.000) 9.220 9.412 ( 2.015 2.746 0.000) 3.406 9.490 ( -5.330 0.857 0.000) 5.399 11.621 ( 1.124 0.206 0.000) 1.143 11.644 ( -1.170 -0.188 0.000) 1.185 12.351 ( 0.640 0.677 0.000) 0.931 12.363 ( -0.588 0.530 0.000) 0.792 12.465 ( 4.845 6.853 0.000) 8.393 12.554 ( -3.831 6.800 0.000) 7.805 12.629 ( 2.029 -1.073 0.000) 2.296 12.670 ( -2.134 -1.743 0.000) 2.756 13.524 ( 3.858 -3.483 0.000) 5.198 13.573 ( -1.400 -2.060 0.000) 2.491 14.445 ( 9.948 -4.394 0.000) 10.875 14.692 ( -14.816 -4.331 0.000) 15.437 14.714 ( 2.080 3.725 0.000) 4.267 14.757 ( -2.588 2.992 0.000) 3.955 15.947 ( 12.216 -1.389 0.000) 12.294 16.154 ( -9.469 0.404 0.000) 9.478 16.679 ( 2.942 -1.235 0.000) 3.190 16.722 ( -1.659 -0.312 0.000) 1.688 ======================= Grid point 15 (10/75) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( 0.000 13.033 0.000) 13.033 1.501 ( 0.000 -3.249 0.000) 3.249 1.645 ( 0.000 13.307 0.000) 13.307 1.775 ( 0.000 20.113 0.000) 20.113 1.822 ( 0.000 2.832 0.000) 2.832 1.990 ( 0.000 -1.972 0.000) 1.972 2.127 ( 0.000 -5.759 0.000) 5.759 2.380 ( 0.000 0.514 0.000) 0.514 2.666 ( 0.000 7.619 0.000) 7.619 2.700 ( 0.000 3.389 0.000) 3.389 2.857 ( 0.000 -9.664 0.000) 9.664 3.211 ( 0.000 -2.824 0.000) 2.824 3.214 ( 0.000 -15.815 0.000) 15.815 3.218 ( 0.000 29.416 0.000) 29.416 3.346 ( 0.000 20.197 0.000) 20.197 3.392 ( 0.000 -16.596 0.000) 16.596 4.278 ( 0.000 -9.277 0.000) 9.277 4.436 ( 0.000 -11.416 0.000) 11.416 4.527 ( 0.000 1.585 0.000) 1.585 4.611 ( 0.000 6.891 0.000) 6.891 4.671 ( 0.000 -1.229 0.000) 1.229 4.722 ( 0.000 4.510 0.000) 4.510 4.762 ( 0.000 0.708 0.000) 0.708 4.831 ( 0.000 -11.576 0.000) 11.576 4.924 ( 0.000 -5.175 0.000) 5.175 5.285 ( 0.000 -19.043 0.000) 19.043 5.721 ( 0.000 11.854 0.000) 11.854 5.755 ( 0.000 2.994 0.000) 2.994 5.910 ( 0.000 -3.542 0.000) 3.542 6.104 ( 0.000 3.505 0.000) 3.505 6.247 ( 0.000 -2.869 0.000) 2.869 6.315 ( 0.000 -16.510 0.000) 16.510 7.266 ( 0.000 3.332 0.000) 3.332 7.449 ( 0.000 -4.990 0.000) 4.990 7.967 ( 0.000 2.538 0.000) 2.538 8.018 ( 0.000 1.111 0.000) 1.111 8.019 ( 0.000 3.828 0.000) 3.828 8.130 ( 0.000 -5.353 0.000) 5.353 8.740 ( 0.000 12.110 0.000) 12.110 8.917 ( 0.000 4.568 0.000) 4.568 9.455 ( 0.000 1.215 0.000) 1.215 9.554 ( 0.000 -3.279 0.000) 3.279 11.612 ( 0.000 0.884 0.000) 0.884 11.654 ( 0.000 -0.964 0.000) 0.964 12.353 ( 0.000 0.790 0.000) 0.790 12.376 ( 0.000 -0.157 0.000) 0.157 12.480 ( 0.000 5.980 0.000) 5.980 12.592 ( 0.000 0.758 0.000) 0.758 12.620 ( 0.000 0.802 0.000) 0.802 12.665 ( 0.000 -2.522 0.000) 2.522 13.430 ( 0.000 3.095 0.000) 3.095 13.565 ( 0.000 -1.854 0.000) 1.854 14.344 ( 0.000 4.987 0.000) 4.987 14.761 ( 0.000 3.944 0.000) 3.944 14.833 ( 0.000 0.640 0.000) 0.640 14.940 ( 0.000 -23.130 0.000) 23.130 15.676 ( 0.000 19.115 0.000) 19.115 16.289 ( 0.000 -10.278 0.000) 10.278 16.546 ( 0.000 3.579 0.000) 3.579 16.713 ( 0.000 -3.401 0.000) 3.401 ======================= Grid point 16 (11/75) ======================= q-point: ( 0.20 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( 2.165 11.599 0.000) 11.800 1.414 ( -6.515 3.372 0.000) 7.336 1.705 ( -0.240 13.491 0.000) 13.493 1.728 ( 1.703 13.200 0.000) 13.310 1.812 ( -1.220 4.195 0.000) 4.369 1.969 ( -2.135 -2.019 0.000) 2.939 2.101 ( -1.993 -5.688 0.000) 6.027 2.243 ( -9.937 -0.282 0.000) 9.941 2.636 ( -5.408 6.848 0.000) 8.726 2.782 ( 3.406 -2.374 0.000) 4.152 2.966 ( 7.963 -8.816 0.000) 11.880 3.094 ( -1.446 18.201 0.000) 18.258 3.207 ( -0.098 -16.239 0.000) 16.239 3.225 ( 2.839 -6.556 0.000) 7.145 3.518 ( 14.174 16.196 0.000) 21.522 3.566 ( 11.200 1.014 0.000) 11.246 4.237 ( -3.881 -5.692 0.000) 6.889 4.413 ( -13.839 6.016 0.000) 15.090 4.455 ( 1.888 -12.210 0.000) 12.356 4.525 ( -0.141 0.432 0.000) 0.454 4.680 ( -1.123 4.597 0.000) 4.733 4.766 ( 0.025 0.555 0.000) 0.556 4.780 ( 3.572 3.651 0.000) 5.107 4.849 ( 1.385 -8.546 0.000) 8.657 4.896 ( -2.514 -7.032 0.000) 7.468 5.173 ( -12.160 -3.410 0.000) 12.630 5.674 ( 3.971 3.503 0.000) 5.295 5.858 ( -4.938 -3.506 0.000) 6.056 5.864 ( 3.649 1.856 0.000) 4.094 6.198 ( 8.846 -1.012 0.000) 8.904 6.199 ( -1.776 -1.254 0.000) 2.174 6.444 ( 7.386 -20.341 0.000) 21.640 7.271 ( 0.640 2.314 0.000) 2.401 7.418 ( -2.948 -4.364 0.000) 5.266 7.895 ( -5.941 3.854 0.000) 7.082 7.995 ( -3.158 -0.978 0.000) 3.306 8.034 ( 1.648 3.836 0.000) 4.175 8.106 ( -1.299 -2.290 0.000) 2.633 8.776 ( 3.108 10.291 0.000) 10.750 8.905 ( -1.250 4.999 0.000) 5.152 9.448 ( -0.404 1.636 0.000) 1.685 9.538 ( -1.631 -2.394 0.000) 2.897 11.616 ( 0.382 0.705 0.000) 0.802 11.649 ( -0.419 -0.781 0.000) 0.887 12.357 ( 0.363 0.764 0.000) 0.846 12.376 ( -0.020 -0.012 0.000) 0.023 12.520 ( 3.977 6.531 0.000) 7.646 12.596 ( 0.453 0.377 0.000) 0.589 12.653 ( -0.041 -1.242 0.000) 1.242 12.665 ( 2.364 0.609 0.000) 2.442 13.430 ( 0.379 1.522 0.000) 1.569 13.555 ( -1.089 -2.260 0.000) 2.509 14.328 ( -0.854 2.755 0.000) 2.885 14.768 ( 0.648 3.654 0.000) 3.711 14.773 ( -12.225 -14.617 0.000) 19.055 14.834 ( -2.036 -1.406 0.000) 2.474 15.811 ( 11.283 13.055 0.000) 17.255 16.268 ( -2.441 -5.710 0.000) 6.210 16.575 ( 2.733 0.726 0.000) 2.828 16.705 ( -0.832 -3.321 0.000) 3.423 ======================= Grid point 17 (12/75) ======================= q-point: ( 0.40 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( 3.918 8.414 0.000) 9.281 1.299 ( -5.248 5.921 0.000) 7.911 1.690 ( 1.957 16.042 0.000) 16.161 1.761 ( -4.123 8.969 0.000) 9.871 1.823 ( 5.127 2.518 0.000) 5.712 1.911 ( -3.875 -1.286 0.000) 4.083 2.068 ( -1.008 -2.573 0.000) 2.763 2.093 ( -4.552 0.998 0.000) 4.660 2.585 ( 1.230 4.427 0.000) 4.594 2.681 ( -7.915 0.031 0.000) 7.915 3.071 ( 3.232 -11.005 0.000) 11.470 3.116 ( -1.451 -10.580 0.000) 10.680 3.296 ( 6.204 -6.254 0.000) 8.810 3.308 ( 3.962 -10.082 0.000) 10.833 3.774 ( 9.763 10.030 0.000) 13.997 3.778 ( 10.330 13.083 0.000) 16.670 4.141 ( -5.548 3.669 0.000) 6.652 4.167 ( -9.912 9.548 0.000) 13.763 4.498 ( 2.067 -8.661 0.000) 8.905 4.521 ( -0.391 -3.114 0.000) 3.138 4.671 ( 0.937 2.719 0.000) 2.876 4.731 ( -4.198 -0.779 0.000) 4.270 4.835 ( 2.376 3.310 0.000) 4.074 4.857 ( -0.768 -5.070 0.000) 5.128 4.869 ( 0.716 -3.773 0.000) 3.840 4.943 ( -8.515 6.083 0.000) 10.465 5.745 ( 1.074 4.446 0.000) 4.574 5.771 ( -2.958 0.192 0.000) 2.964 5.980 ( 9.364 -3.163 0.000) 9.884 6.139 ( -5.661 -0.570 0.000) 5.690 6.378 ( 8.825 -11.465 0.000) 14.468 6.499 ( -2.484 -21.304 0.000) 21.449 7.296 ( 2.150 -0.091 0.000) 2.152 7.352 ( -3.509 -2.611 0.000) 4.374 7.829 ( 0.475 2.678 0.000) 2.719 7.900 ( -5.643 -1.598 0.000) 5.865 8.071 ( 1.795 3.251 0.000) 3.714 8.094 ( -0.571 1.669 0.000) 1.764 8.833 ( 2.447 7.472 0.000) 7.862 8.873 ( -1.904 5.927 0.000) 6.225 9.455 ( 1.377 1.649 0.000) 2.149 9.496 ( -2.527 -0.185 0.000) 2.533 11.626 ( 0.623 0.251 0.000) 0.671 11.639 ( -0.651 -0.313 0.000) 0.723 12.365 ( 0.485 0.636 0.000) 0.800 12.373 ( -0.279 0.335 0.000) 0.436 12.610 ( 1.116 -0.313 0.000) 1.159 12.616 ( 5.184 6.837 0.000) 8.580 12.633 ( -1.286 -1.533 0.000) 2.001 12.689 ( -1.439 5.075 0.000) 5.275 13.460 ( 2.835 -2.181 0.000) 3.577 13.519 ( -2.694 -3.135 0.000) 4.134 14.355 ( 4.606 -2.985 0.000) 5.489 14.518 ( -12.003 -9.937 0.000) 15.583 14.785 ( 1.125 2.840 0.000) 3.055 14.809 ( -1.264 1.753 0.000) 2.161 16.028 ( 10.245 6.899 0.000) 12.351 16.187 ( -6.227 1.268 0.000) 6.355 16.633 ( 2.938 -2.201 0.000) 3.671 16.680 ( -1.860 -3.069 0.000) 3.589 ======================= Grid point 20 (13/75) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( 0.000 -9.397 0.000) 9.397 1.365 ( 0.000 9.397 0.000) 9.397 1.879 ( 0.000 -8.657 0.000) 8.657 1.879 ( 0.000 8.657 0.000) 8.657 1.898 ( 0.000 -3.401 0.000) 3.401 1.898 ( 0.000 3.401 0.000) 3.401 2.281 ( 0.000 -12.906 0.000) 12.906 2.281 ( 0.000 12.906 0.000) 12.906 2.701 ( 0.000 -0.508 0.000) 0.508 2.701 ( 0.000 0.508 0.000) 0.508 2.858 ( 0.000 -12.501 0.000) 12.501 2.858 ( 0.000 12.501 0.000) 12.501 3.206 ( 0.000 -3.374 0.000) 3.374 3.206 ( 0.000 3.374 0.000) 3.374 3.793 ( 0.000 -2.901 0.000) 2.901 3.793 ( 0.000 2.901 0.000) 2.901 4.010 ( 0.000 -4.796 0.000) 4.796 4.010 ( 0.000 4.796 0.000) 4.796 4.620 ( 0.000 -7.263 0.000) 7.263 4.620 ( 0.000 7.263 0.000) 7.263 4.737 ( 0.000 -3.996 0.000) 3.996 4.737 ( 0.000 3.996 0.000) 3.996 4.810 ( 0.000 -4.756 0.000) 4.756 4.810 ( 0.000 4.756 0.000) 4.756 4.899 ( 0.000 -15.862 0.000) 15.862 4.899 ( 0.000 15.862 0.000) 15.862 5.831 ( 0.000 -3.982 0.000) 3.982 5.831 ( 0.000 3.982 0.000) 3.982 5.996 ( 0.000 -14.294 0.000) 14.294 5.996 ( 0.000 14.294 0.000) 14.294 6.180 ( 0.000 -3.569 0.000) 3.569 6.180 ( 0.000 3.569 0.000) 3.569 7.349 ( 0.000 -4.549 0.000) 4.549 7.349 ( 0.000 4.549 0.000) 4.549 8.005 ( 0.000 -1.448 0.000) 1.448 8.005 ( 0.000 1.448 0.000) 1.448 8.076 ( 0.000 -1.704 0.000) 1.704 8.076 ( 0.000 1.704 0.000) 1.704 8.918 ( 0.000 -4.492 0.000) 4.492 8.918 ( 0.000 4.492 0.000) 4.492 9.493 ( 0.000 -2.464 0.000) 2.464 9.493 ( 0.000 2.464 0.000) 2.464 11.633 ( 0.000 -1.025 0.000) 1.025 11.633 ( 0.000 1.025 0.000) 1.025 12.368 ( 0.000 -0.581 0.000) 0.581 12.368 ( 0.000 0.581 0.000) 0.581 12.587 ( 0.000 -3.805 0.000) 3.805 12.587 ( 0.000 3.805 0.000) 3.805 12.619 ( 0.000 -1.831 0.000) 1.831 12.619 ( 0.000 1.831 0.000) 1.831 13.507 ( 0.000 -3.662 0.000) 3.662 13.507 ( 0.000 3.662 0.000) 3.662 14.542 ( 0.000 -14.507 0.000) 14.507 14.542 ( 0.000 14.507 0.000) 14.507 14.822 ( 0.000 -1.749 0.000) 1.749 14.822 ( 0.000 1.749 0.000) 1.749 16.030 ( 0.000 -14.784 0.000) 14.784 16.030 ( 0.000 14.784 0.000) 14.784 16.629 ( 0.000 -4.289 0.000) 4.289 16.629 ( 0.000 4.289 0.000) 4.289 ======================= Grid point 22 (14/75) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( -1.110 -7.313 0.000) 7.397 1.353 ( -1.110 7.313 0.000) 7.397 1.870 ( -0.637 -5.500 0.000) 5.537 1.870 ( -0.637 5.500 0.000) 5.537 1.906 ( 0.628 -0.737 0.000) 0.968 1.906 ( 0.628 0.737 0.000) 0.968 2.169 ( -7.729 -7.886 0.000) 11.042 2.169 ( -7.729 7.886 0.000) 11.042 2.686 ( -4.012 -4.577 0.000) 6.086 2.686 ( -4.012 4.577 0.000) 6.086 2.969 ( 10.171 -5.416 0.000) 11.523 2.969 ( 10.171 5.416 0.000) 11.523 3.147 ( -5.000 -0.730 0.000) 5.053 3.147 ( -5.000 0.730 0.000) 5.053 3.855 ( 5.864 -1.487 0.000) 6.050 3.855 ( 5.864 1.487 0.000) 6.050 4.077 ( 6.152 -5.577 0.000) 8.303 4.077 ( 6.152 5.577 0.000) 8.303 4.553 ( -6.039 -0.035 0.000) 6.039 4.553 ( -6.039 0.035 0.000) 6.039 4.717 ( -2.812 -1.787 0.000) 3.332 4.717 ( -2.812 1.787 0.000) 3.332 4.796 ( 1.216 -0.535 0.000) 1.328 4.796 ( 1.216 0.535 0.000) 1.328 4.965 ( 3.493 -12.346 0.000) 12.830 4.965 ( 3.493 12.346 0.000) 12.830 5.771 ( -2.863 -4.558 0.000) 5.383 5.771 ( -2.863 4.558 0.000) 5.383 6.022 ( 0.143 -12.602 0.000) 12.603 6.022 ( 0.143 12.602 0.000) 12.603 6.224 ( 4.007 -2.879 0.000) 4.934 6.224 ( 4.007 2.879 0.000) 4.934 7.333 ( -1.343 -3.648 0.000) 3.888 7.333 ( -1.343 3.648 0.000) 3.888 7.954 ( -4.685 -1.806 0.000) 5.021 7.954 ( -4.685 1.806 0.000) 5.021 8.087 ( 1.229 -0.903 0.000) 1.525 8.087 ( 1.229 0.903 0.000) 1.525 8.923 ( 0.319 -3.163 0.000) 3.179 8.923 ( 0.319 3.163 0.000) 3.179 9.489 ( -0.339 -2.114 0.000) 2.141 9.489 ( -0.339 2.114 0.000) 2.141 11.632 ( -0.016 -0.801 0.000) 0.801 11.632 ( -0.016 0.801 0.000) 0.801 12.370 ( 0.239 -0.479 0.000) 0.535 12.370 ( 0.239 0.479 0.000) 0.535 12.615 ( -0.271 -0.211 0.000) 0.344 12.615 ( -0.271 0.211 0.000) 0.344 12.636 ( 4.532 -1.213 0.000) 4.692 12.636 ( 4.532 1.213 0.000) 4.692 13.491 ( -1.567 -2.875 0.000) 3.274 13.491 ( -1.567 2.875 0.000) 3.274 14.469 ( -6.327 -11.199 0.000) 12.862 14.469 ( -6.327 11.199 0.000) 12.862 14.823 ( 0.002 -1.414 0.000) 1.414 14.823 ( 0.002 1.414 0.000) 1.414 16.082 ( 4.512 -11.690 0.000) 12.530 16.082 ( 4.512 11.690 0.000) 12.530 16.627 ( -0.196 -3.679 0.000) 3.684 16.627 ( -0.196 3.679 0.000) 3.684 ======================= Grid point 24 (15/75) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( -0.759 -2.528 0.000) 2.640 1.332 ( -0.759 2.528 0.000) 2.640 1.860 ( -0.293 -1.845 0.000) 1.868 1.860 ( -0.293 1.845 0.000) 1.868 1.917 ( 0.389 -0.345 0.000) 0.520 1.917 ( 0.389 0.345 0.000) 0.520 2.064 ( -2.756 -2.379 0.000) 3.641 2.064 ( -2.756 2.379 0.000) 3.641 2.601 ( -3.135 -2.670 0.000) 4.118 2.601 ( -3.135 2.670 0.000) 4.118 3.063 ( -2.520 -1.433 0.000) 2.899 3.063 ( -2.520 1.433 0.000) 2.899 3.129 ( 4.584 -0.216 0.000) 4.589 3.129 ( 4.584 0.216 0.000) 4.589 3.974 ( 4.737 -0.990 0.000) 4.839 3.974 ( 4.737 0.990 0.000) 4.839 4.207 ( 6.115 -6.369 0.000) 8.829 4.207 ( 6.115 6.369 0.000) 8.829 4.424 ( -6.157 -5.575 0.000) 8.306 4.424 ( -6.157 5.575 0.000) 8.306 4.674 ( -1.223 -0.628 0.000) 1.374 4.674 ( -1.223 0.628 0.000) 1.374 4.823 ( 0.974 -0.001 0.000) 0.974 4.823 ( 0.974 0.001 0.000) 0.974 4.982 ( -1.039 -3.880 0.000) 4.017 4.982 ( -1.039 3.880 0.000) 4.017 5.792 ( 4.326 -1.211 0.000) 4.492 5.792 ( 4.326 1.211 0.000) 4.492 5.970 ( -4.643 -9.485 0.000) 10.560 5.970 ( -4.643 9.485 0.000) 10.560 6.293 ( 2.249 -1.089 0.000) 2.499 6.293 ( 2.249 1.089 0.000) 2.499 7.310 ( -0.800 -1.377 0.000) 1.592 7.310 ( -0.800 1.377 0.000) 1.592 7.872 ( -2.701 -1.302 0.000) 2.998 7.872 ( -2.701 1.302 0.000) 2.998 8.111 ( 0.851 -0.324 0.000) 0.910 8.111 ( 0.851 0.324 0.000) 0.910 8.925 ( -0.063 -0.896 0.000) 0.898 8.925 ( -0.063 0.896 0.000) 0.898 9.483 ( -0.145 -0.911 0.000) 0.922 9.483 ( -0.145 0.911 0.000) 0.922 11.632 ( -0.012 -0.293 0.000) 0.293 11.632 ( -0.012 0.293 0.000) 0.293 12.375 ( 0.155 -0.191 0.000) 0.246 12.375 ( 0.155 0.191 0.000) 0.246 12.610 ( -0.195 -0.239 0.000) 0.308 12.610 ( -0.195 0.239 0.000) 0.308 12.724 ( 3.232 -1.459 0.000) 3.546 12.724 ( 3.232 1.459 0.000) 3.546 13.457 ( -1.403 -1.397 0.000) 1.980 13.457 ( -1.403 1.397 0.000) 1.980 14.361 ( -3.562 -3.995 0.000) 5.352 14.361 ( -3.562 3.995 0.000) 5.352 14.822 ( -0.032 -0.545 0.000) 0.546 14.822 ( -0.032 0.545 0.000) 0.546 16.158 ( 2.513 -4.417 0.000) 5.082 16.158 ( 2.513 4.417 0.000) 5.082 16.623 ( -0.159 -1.571 0.000) 1.579 16.623 ( -0.159 1.571 0.000) 1.579 ======================= Grid point 45 (16/75) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.404 ( 0.000 0.000 19.544) 19.544 0.470 ( 0.000 0.000 22.853) 22.853 1.009 ( 0.000 0.000 38.740) 38.740 1.442 ( 0.000 0.000 41.140) 41.140 1.751 ( 0.000 0.000 5.167) 5.167 1.770 ( 0.000 0.000 -1.416) 1.416 2.025 ( 0.000 0.000 9.154) 9.154 2.668 ( 0.000 0.000 15.332) 15.332 3.016 ( 0.000 0.000 43.258) 43.258 3.076 ( 0.000 0.000 -4.299) 4.299 3.237 ( 0.000 0.000 4.762) 4.762 3.495 ( 0.000 0.000 0.136) 0.136 3.511 ( 0.000 0.000 -9.229) 9.229 3.757 ( 0.000 0.000 2.366) 2.366 3.947 ( 0.000 0.000 -5.463) 5.463 4.149 ( 0.000 0.000 -12.397) 12.397 4.200 ( 0.000 0.000 5.372) 5.372 4.300 ( 0.000 0.000 5.338) 5.338 4.324 ( 0.000 0.000 -8.736) 8.736 4.550 ( 0.000 0.000 -10.544) 10.544 4.640 ( 0.000 0.000 14.178) 14.178 4.891 ( 0.000 0.000 10.363) 10.363 5.027 ( 0.000 0.000 9.949) 9.949 5.048 ( 0.000 0.000 3.978) 3.978 5.346 ( 0.000 0.000 -6.397) 6.397 5.381 ( 0.000 0.000 -2.352) 2.352 5.448 ( 0.000 0.000 -5.119) 5.119 5.683 ( 0.000 0.000 1.465) 1.465 5.818 ( 0.000 0.000 4.112) 4.112 5.915 ( 0.000 0.000 -10.554) 10.554 6.250 ( 0.000 0.000 12.207) 12.207 6.323 ( 0.000 0.000 -1.745) 1.745 7.078 ( 0.000 0.000 -8.723) 8.723 7.230 ( 0.000 0.000 -26.810) 26.810 7.491 ( 0.000 0.000 -25.055) 25.055 7.500 ( 0.000 0.000 -6.608) 6.608 7.504 ( 0.000 0.000 -13.354) 13.354 8.626 ( 0.000 0.000 34.317) 34.317 8.714 ( 0.000 0.000 23.126) 23.126 8.938 ( 0.000 0.000 12.506) 12.506 9.280 ( 0.000 0.000 -11.021) 11.021 9.813 ( 0.000 0.000 13.287) 13.287 11.623 ( 0.000 0.000 3.850) 3.850 11.707 ( 0.000 0.000 -1.535) 1.535 11.731 ( 0.000 0.000 -42.326) 42.326 11.759 ( 0.000 0.000 -30.572) 30.572 12.319 ( 0.000 0.000 -0.107) 0.107 12.358 ( 0.000 0.000 -0.973) 0.973 13.112 ( 0.000 0.000 21.523) 21.523 13.198 ( 0.000 0.000 28.887) 28.887 13.517 ( 0.000 0.000 9.436) 9.436 14.276 ( 0.000 0.000 -1.886) 1.886 14.352 ( 0.000 0.000 2.032) 2.032 14.526 ( 0.000 0.000 -2.414) 2.414 14.625 ( 0.000 0.000 -6.570) 6.570 14.784 ( 0.000 0.000 3.708) 3.708 15.950 ( 0.000 0.000 -12.346) 12.346 16.396 ( 0.000 0.000 -3.986) 3.986 16.585 ( 0.000 0.000 0.954) 0.954 17.167 ( 0.000 0.000 -3.059) 3.059 ======================= Grid point 46 (17/75) ======================= q-point: ( 0.20 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( 21.787 0.000 13.842) 25.812 0.849 ( 17.457 0.000 22.143) 28.197 1.312 ( 25.277 0.000 17.127) 30.533 1.444 ( 11.004 0.000 39.979) 41.466 1.729 ( -4.805 0.000 0.221) 4.810 1.782 ( 3.055 0.000 7.751) 8.332 2.007 ( -2.087 0.000 9.154) 9.389 2.604 ( -4.667 0.000 12.201) 13.064 2.977 ( -3.642 0.000 37.469) 37.646 3.033 ( -7.736 0.000 18.741) 20.274 3.071 ( -14.033 0.000 5.937) 15.237 3.548 ( 8.718 0.000 0.126) 8.719 3.584 ( -29.755 0.000 42.074) 51.532 3.665 ( 10.329 0.000 -9.607) 14.106 3.857 ( 7.088 0.000 0.665) 7.119 3.962 ( -13.634 0.000 3.665) 14.118 4.008 ( -17.092 0.000 4.933) 17.789 4.125 ( -2.678 0.000 -12.444) 12.729 4.341 ( 1.832 0.000 -6.610) 6.859 4.414 ( -0.718 0.000 11.342) 11.364 4.534 ( -2.226 0.000 -9.086) 9.354 4.874 ( -9.899 0.000 -0.350) 9.905 4.880 ( 0.226 0.000 7.527) 7.530 5.049 ( -0.632 0.000 4.073) 4.122 5.124 ( -5.531 0.000 -3.369) 6.477 5.364 ( -1.979 0.000 -2.185) 2.948 5.435 ( -0.968 0.000 -2.986) 3.139 5.605 ( -6.169 0.000 2.664) 6.720 5.873 ( 4.260 0.000 3.999) 5.843 6.200 ( -4.825 0.000 11.247) 12.238 6.251 ( 23.677 0.000 -12.816) 26.923 6.955 ( 10.972 0.000 -32.284) 34.098 7.126 ( 4.745 0.000 -9.116) 10.278 7.262 ( 2.992 0.000 -26.616) 26.784 7.469 ( -3.588 0.000 -12.864) 13.356 7.504 ( 2.897 0.000 -24.836) 25.004 7.726 ( 22.318 0.000 -10.046) 24.475 8.591 ( -3.842 0.000 30.589) 30.829 8.777 ( 5.323 0.000 21.442) 22.093 9.029 ( 9.075 0.000 12.403) 15.368 9.206 ( -7.204 0.000 -8.090) 10.832 9.735 ( -7.916 0.000 13.042) 15.256 11.628 ( 0.505 0.000 2.533) 2.583 11.689 ( -1.342 0.000 -7.439) 7.559 11.744 ( 0.915 0.000 -34.946) 34.958 11.764 ( 0.387 0.000 -30.601) 30.603 12.321 ( 0.266 0.000 -0.192) 0.328 12.355 ( -0.389 0.000 -0.852) 0.937 13.112 ( 0.090 0.000 22.067) 22.067 13.179 ( -1.711 0.000 27.942) 27.994 13.607 ( 7.549 0.000 9.055) 11.789 14.162 ( -13.859 0.000 16.730) 21.725 14.317 ( 3.990 0.000 -2.045) 4.484 14.552 ( 2.153 0.000 -2.159) 3.049 14.597 ( -2.875 0.000 -5.951) 6.609 14.739 ( -3.287 0.000 1.621) 3.665 16.060 ( 8.928 0.000 -13.540) 16.218 16.415 ( 1.844 0.000 -3.531) 3.984 16.567 ( -1.795 0.000 0.466) 1.855 16.791 ( -23.134 0.000 10.307) 25.326 ======================= Grid point 47 (18/75) ======================= q-point: ( 0.40 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( 10.651 0.000 28.177) 30.122 1.173 ( 22.565 0.000 7.015) 23.631 1.273 ( -8.374 0.000 29.885) 31.036 1.545 ( -15.056 0.000 3.200) 15.392 1.844 ( 4.829 0.000 9.259) 10.443 1.938 ( -4.684 0.000 10.239) 11.259 2.268 ( 45.455 0.000 11.421) 46.868 2.593 ( 5.122 0.000 9.382) 10.689 2.788 ( -13.890 0.000 7.674) 15.869 2.816 ( -10.348 0.000 33.193) 34.769 2.934 ( -0.224 0.000 44.391) 44.391 3.210 ( -26.308 0.000 24.301) 35.815 3.663 ( -2.528 0.000 0.774) 2.643 3.760 ( 10.727 0.000 -1.670) 10.856 3.786 ( -10.147 0.000 -0.523) 10.161 3.834 ( 5.155 0.000 -11.391) 12.503 3.946 ( 2.446 0.000 -2.758) 3.686 4.041 ( -6.043 0.000 -9.710) 11.437 4.393 ( 3.442 0.000 -4.742) 5.859 4.466 ( 5.575 0.000 5.571) 7.881 4.466 ( -4.097 0.000 -5.875) 7.162 4.626 ( -11.307 0.000 1.738) 11.440 4.926 ( 4.087 0.000 3.351) 5.285 5.007 ( -3.674 0.000 2.757) 4.593 5.187 ( 6.405 0.000 -1.924) 6.687 5.299 ( -4.827 0.000 -1.980) 5.217 5.431 ( 1.160 0.000 1.735) 2.087 5.491 ( -4.988 0.000 3.660) 6.187 5.966 ( 5.521 0.000 5.591) 7.858 6.085 ( -6.614 0.000 8.582) 10.835 6.656 ( 17.492 0.000 -18.159) 25.213 6.910 ( -9.105 0.000 -24.120) 25.781 7.243 ( 6.911 0.000 -10.198) 12.319 7.347 ( 5.939 0.000 -23.526) 24.264 7.372 ( -6.227 0.000 -11.631) 13.193 7.468 ( -5.492 0.000 -21.416) 22.109 8.162 ( 19.817 0.000 -2.980) 20.040 8.458 ( -10.815 0.000 16.500) 19.729 8.889 ( 6.456 0.000 16.702) 17.906 9.038 ( -9.097 0.000 3.111) 9.614 9.258 ( 13.908 0.000 12.330) 18.587 9.527 ( -13.215 0.000 12.578) 18.244 11.642 ( 0.945 0.000 -0.789) 1.231 11.663 ( -1.262 0.000 -4.845) 5.007 11.760 ( 0.683 0.000 -33.013) 33.020 11.768 ( -0.079 0.000 -31.604) 31.605 12.330 ( 0.653 0.000 -0.414) 0.773 12.344 ( -0.716 0.000 -0.615) 0.944 13.119 ( 0.758 0.000 23.616) 23.628 13.144 ( -1.722 0.000 25.819) 25.876 13.761 ( 8.289 0.000 12.991) 15.410 13.932 ( -10.050 0.000 18.154) 20.750 14.414 ( 5.693 0.000 -2.889) 6.384 14.520 ( -5.043 0.000 -4.443) 6.721 14.605 ( 3.290 0.000 -1.599) 3.658 14.672 ( -3.627 0.000 -0.682) 3.690 16.243 ( 10.056 0.000 -8.655) 13.268 16.458 ( -13.057 0.000 0.525) 13.067 16.462 ( 2.956 0.000 -2.322) 3.759 16.520 ( -2.926 0.000 -0.795) 3.032 ======================= Grid point 50 (19/75) ======================= q-point: ( 0.00 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( 0.000 25.753 11.435) 28.178 0.851 ( 0.000 19.104 17.893) 26.175 1.259 ( 0.000 21.536 21.230) 30.241 1.524 ( 0.000 12.370 36.715) 38.743 1.772 ( 0.000 1.579 6.735) 6.918 1.931 ( 0.000 13.512 -0.009) 13.512 2.008 ( 0.000 -0.222 3.632) 3.639 2.526 ( 0.000 -11.565 16.431) 20.093 2.965 ( 0.000 -4.367 45.173) 45.384 3.000 ( 0.000 -9.715 24.584) 26.434 3.194 ( 0.000 -5.042 4.873) 7.012 3.374 ( 0.000 -10.456 1.024) 10.506 3.394 ( 0.000 -21.219 28.217) 35.305 3.398 ( 0.000 -9.566 -5.589) 11.079 3.686 ( 0.000 -6.804 3.159) 7.501 4.003 ( 0.000 -9.416 -10.981) 14.465 4.195 ( 0.000 3.563 8.117) 8.864 4.210 ( 0.000 2.062 -6.183) 6.518 4.402 ( 0.000 5.652 0.948) 5.731 4.442 ( 0.000 7.502 3.632) 8.335 4.618 ( 0.000 2.021 -6.600) 6.903 4.785 ( 0.000 -8.666 6.986) 11.131 4.941 ( 0.000 2.747 -0.787) 2.857 5.129 ( 0.000 -6.812 -2.297) 7.189 5.278 ( 0.000 -7.783 -5.213) 9.367 5.364 ( 0.000 2.234 -5.123) 5.589 5.694 ( 0.000 -0.081 0.743) 0.747 5.775 ( 0.000 -2.662 1.221) 2.929 5.944 ( 0.000 2.330 -6.219) 6.641 6.186 ( 0.000 -4.975 11.107) 12.170 6.315 ( 0.000 -1.024 -1.344) 1.689 6.389 ( 0.000 20.250 -38.726) 43.701 7.087 ( 0.000 0.985 -8.568) 8.625 7.295 ( 0.000 6.379 -26.712) 27.463 7.467 ( 0.000 -2.245 -9.534) 9.795 7.545 ( 0.000 4.504 -24.334) 24.747 7.626 ( 0.000 9.890 -12.217) 15.718 8.679 ( 0.000 -17.802 2.698) 18.006 8.710 ( 0.000 7.816 33.480) 34.380 8.833 ( 0.000 9.333 23.150) 24.961 9.399 ( 0.000 6.701 -0.162) 6.703 9.824 ( 0.000 -0.237 13.597) 13.599 11.630 ( 0.000 0.656 4.049) 4.102 11.727 ( 0.000 1.215 0.141) 1.224 11.736 ( 0.000 0.547 -42.555) 42.559 11.767 ( 0.000 0.539 -32.271) 32.275 12.325 ( 0.000 0.552 -0.098) 0.560 12.360 ( 0.000 0.195 -0.945) 0.965 13.120 ( 0.000 0.548 21.889) 21.896 13.217 ( 0.000 1.810 29.336) 29.392 13.505 ( 0.000 -0.860 8.947) 8.989 14.024 ( 0.000 -13.874 17.939) 22.679 14.339 ( 0.000 -1.016 2.075) 2.310 14.567 ( 0.000 3.307 -2.121) 3.929 14.753 ( 0.000 7.449 -3.814) 8.369 14.828 ( 0.000 7.766 -0.408) 7.777 15.818 ( 0.000 -13.626 -12.312) 18.365 16.404 ( 0.000 0.784 -4.334) 4.405 16.555 ( 0.000 -6.012 0.019) 6.012 16.832 ( 0.000 -12.311 5.797) 13.607 ======================= Grid point 51 (20/75) ======================= q-point: ( 0.20 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( 13.838 13.718 11.498) 22.625 1.006 ( 7.937 10.204 25.525) 28.612 1.402 ( 0.495 4.182 24.240) 24.603 1.726 ( 23.062 21.221 12.417) 33.710 1.814 ( 10.145 8.068 13.220) 18.515 1.867 ( -7.188 11.895 0.750) 13.918 1.990 ( -1.888 -0.798 5.498) 5.868 2.447 ( -5.540 -11.546 15.083) 19.786 2.892 ( -8.381 -7.870 33.272) 35.203 2.939 ( -3.645 -4.530 40.538) 40.953 3.087 ( -8.890 -4.108 16.142) 18.881 3.355 ( -0.590 -6.717 14.243) 15.759 3.442 ( 8.315 -7.658 1.411) 11.392 3.551 ( 10.564 -10.128 -6.102) 15.856 3.795 ( 7.582 -8.015 2.915) 11.412 3.942 ( -6.170 -5.517 -7.089) 10.898 4.058 ( -13.219 6.274 0.824) 14.655 4.151 ( -6.960 3.111 -3.375) 8.338 4.402 ( -0.910 4.302 3.901) 5.878 4.415 ( 0.672 5.078 -2.582) 5.737 4.585 ( -4.116 1.510 -5.413) 6.966 4.790 ( 0.984 -6.697 2.894) 7.362 4.922 ( -9.355 2.817 0.254) 9.773 5.035 ( -4.883 -4.737 -0.718) 6.841 5.132 ( -7.810 0.415 -2.255) 8.140 5.221 ( -2.913 -6.992 -3.332) 8.275 5.598 ( -3.499 -0.122 2.005) 4.035 5.835 ( -14.329 17.325 -4.201) 22.873 5.880 ( 2.716 1.311 3.591) 4.689 6.151 ( -3.418 -3.578 9.732) 10.918 6.251 ( 23.031 -0.620 -11.344) 25.681 6.945 ( 12.404 -4.532 -31.641) 34.286 7.123 ( 3.707 0.042 -9.436) 10.139 7.328 ( 3.442 6.046 -24.893) 25.847 7.497 ( 3.067 0.460 -20.024) 20.262 7.519 ( -3.736 0.150 -11.904) 12.478 7.674 ( 10.123 0.977 -9.762) 14.097 8.567 ( -7.630 -8.923 13.039) 17.546 8.821 ( 6.102 -0.960 20.179) 21.104 8.868 ( 2.999 5.661 22.714) 23.600 9.377 ( -1.290 8.067 2.912) 8.673 9.756 ( -6.778 0.763 13.306) 14.952 11.636 ( 0.539 0.656 2.971) 3.090 11.707 ( -1.537 1.227 -4.851) 5.234 11.751 ( 1.020 0.537 -35.071) 35.090 11.768 ( 0.224 0.514 -34.092) 34.096 12.327 ( 0.266 0.574 -0.226) 0.672 12.357 ( -0.357 0.198 -0.840) 0.934 13.120 ( 0.187 0.625 22.424) 22.433 13.204 ( -1.547 2.382 27.980) 28.123 13.585 ( 7.057 -1.813 9.002) 11.581 13.982 ( -4.575 -10.132 19.599) 22.533 14.355 ( 2.881 0.246 0.277) 2.905 14.585 ( 1.675 2.990 -1.987) 3.962 14.722 ( -3.431 9.035 -4.970) 10.868 14.774 ( -4.390 4.314 -0.008) 6.155 15.898 ( 7.186 -13.569 -10.287) 18.482 16.351 ( -5.464 -5.921 0.172) 8.058 16.557 ( 0.536 -0.917 -3.196) 3.368 16.739 ( -6.520 -1.682 1.732) 6.953 ======================= Grid point 52 (21/75) ======================= q-point: ( 0.40 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( 10.575 5.971 21.976) 25.108 1.188 ( 15.569 2.372 15.204) 21.890 1.337 ( -2.341 6.126 22.289) 23.234 1.622 ( -18.027 6.597 3.375) 19.491 1.847 ( 3.969 0.299 8.282) 9.189 1.926 ( -3.970 -0.965 7.323) 8.386 2.389 ( 20.105 8.229 11.446) 24.555 2.424 ( 4.211 -8.200 13.755) 16.558 2.795 ( 6.716 4.464 18.000) 19.724 2.896 ( 1.503 -0.925 37.202) 37.244 2.934 ( -5.648 -0.281 37.141) 37.569 3.274 ( -18.652 6.195 7.898) 21.181 3.569 ( 5.117 -4.295 0.718) 6.719 3.722 ( 1.694 -7.458 -4.953) 9.112 3.755 ( -3.423 -4.872 -2.266) 6.371 3.839 ( -2.907 1.808 -7.518) 8.260 3.932 ( 3.003 -2.106 -0.699) 3.734 4.006 ( -6.727 -2.017 -2.695) 7.522 4.404 ( 1.748 1.066 -3.294) 3.879 4.450 ( -0.491 0.968 -4.447) 4.577 4.517 ( 0.978 3.108 1.039) 3.420 4.646 ( -11.063 2.645 0.213) 11.377 4.867 ( 4.327 -5.052 1.658) 6.855 4.955 ( -4.340 -4.786 0.921) 6.526 5.147 ( 3.071 -3.775 -0.853) 4.940 5.186 ( -1.270 -6.656 -1.123) 6.869 5.559 ( 0.335 5.610 2.305) 6.074 5.634 ( -7.316 11.677 0.312) 13.783 5.959 ( 5.024 -0.133 4.904) 7.022 6.062 ( -5.431 -1.185 7.194) 9.092 6.655 ( 17.888 -1.138 -16.769) 24.546 6.918 ( -9.374 -0.717 -23.640) 25.441 7.224 ( 6.732 -1.315 -10.384) 12.445 7.372 ( -7.563 0.120 -10.750) 13.144 7.418 ( 4.250 4.943 -22.241) 23.177 7.503 ( -3.336 2.709 -21.709) 22.130 8.029 ( 20.695 -10.937 -4.927) 23.920 8.367 ( -13.920 -10.813 4.218) 18.124 8.897 ( 2.399 3.005 22.725) 23.048 8.919 ( 0.833 -0.486 20.331) 20.354 9.412 ( 6.154 7.866 9.345) 13.678 9.585 ( -10.212 3.669 12.275) 16.384 11.651 ( 1.076 0.722 0.478) 1.381 11.676 ( -1.538 0.950 -2.287) 2.915 11.768 ( 0.602 0.644 -34.928) 34.940 11.773 ( 0.067 0.544 -34.766) 34.770 12.336 ( 0.572 0.492 -0.450) 0.879 12.347 ( -0.611 0.323 -0.648) 0.947 13.132 ( 1.190 1.228 23.822) 23.883 13.165 ( -2.145 2.100 25.815) 25.989 13.729 ( 7.446 -2.537 12.540) 14.803 13.866 ( -6.855 -4.665 17.454) 19.323 14.457 ( 7.095 1.899 -2.318) 7.702 14.594 ( -5.234 4.329 -4.382) 8.083 14.647 ( 0.735 4.822 -1.578) 5.126 14.700 ( -3.376 2.428 -0.303) 4.169 16.054 ( 8.575 -12.395 -5.688) 16.109 16.215 ( -8.058 -10.776 -0.535) 13.466 16.583 ( 2.196 3.855 -5.065) 6.734 16.641 ( -3.860 4.184 -3.318) 6.589 ======================= Grid point 55 (22/75) ======================= q-point: ( 0.00 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( 0.000 11.304 20.656) 23.547 1.315 ( 0.000 26.241 7.880) 27.398 1.513 ( 0.000 8.341 14.841) 17.024 1.783 ( 0.000 -1.112 10.428) 10.487 1.970 ( 0.000 -0.183 0.074) 0.198 2.128 ( 0.000 30.783 8.867) 32.035 2.341 ( 0.000 21.101 -3.309) 21.359 2.358 ( 0.000 1.735 24.988) 25.048 2.799 ( 0.000 -7.111 45.872) 46.420 2.859 ( 0.000 -5.445 48.888) 49.190 3.063 ( 0.000 -3.544 5.158) 6.258 3.125 ( 0.000 -12.380 2.478) 12.625 3.200 ( 0.000 -6.827 -3.168) 7.526 3.263 ( 0.000 -2.452 0.871) 2.602 3.496 ( 0.000 -10.604 2.697) 10.942 3.740 ( 0.000 -16.830 -7.060) 18.250 4.289 ( 0.000 4.422 -7.976) 9.120 4.323 ( 0.000 6.478 -0.618) 6.507 4.492 ( 0.000 1.529 1.630) 2.235 4.535 ( 0.000 0.912 2.046) 2.240 4.634 ( 0.000 -2.595 1.392) 2.944 4.679 ( 0.000 3.773 -4.536) 5.900 4.905 ( 0.000 -13.411 -3.932) 13.975 4.982 ( 0.000 -0.782 -0.417) 0.886 5.045 ( 0.000 -13.841 -5.914) 15.052 5.464 ( 0.000 7.289 -3.406) 8.046 5.619 ( 0.000 -8.028 0.552) 8.047 5.748 ( 0.000 0.552 1.911) 1.989 5.996 ( 0.000 2.875 -3.902) 4.847 6.080 ( 0.000 -4.876 8.948) 10.191 6.280 ( 0.000 -2.263 -1.670) 2.813 6.413 ( 0.000 -8.990 -21.424) 23.234 7.123 ( 0.000 2.591 -7.877) 8.292 7.396 ( 0.000 -1.186 -12.976) 13.030 7.480 ( 0.000 6.860 -24.722) 25.656 7.645 ( 0.000 4.465 -23.400) 23.823 7.805 ( 0.000 6.169 -10.387) 12.081 8.302 ( 0.000 -16.301 -3.159) 16.604 8.923 ( 0.000 11.712 31.473) 33.582 9.069 ( 0.000 11.439 24.026) 26.610 9.505 ( 0.000 3.801 6.983) 7.950 9.788 ( 0.000 -2.931 14.843) 15.130 11.646 ( 0.000 0.838 3.634) 3.730 11.734 ( 0.000 -0.574 4.522) 4.559 11.753 ( 0.000 1.067 -42.317) 42.331 11.784 ( 0.000 1.107 -37.223) 37.240 12.341 ( 0.000 0.879 -0.292) 0.926 12.366 ( 0.000 0.273 -0.902) 0.942 13.134 ( 0.000 0.908 23.141) 23.159 13.262 ( 0.000 1.850 29.521) 29.579 13.500 ( 0.000 1.104 9.235) 9.301 13.833 ( 0.000 -5.507 18.221) 19.035 14.322 ( 0.000 -0.109 2.369) 2.371 14.652 ( 0.000 4.491 -1.872) 4.866 14.818 ( 0.000 1.876 1.811) 2.607 15.155 ( 0.000 19.096 -9.412) 21.289 15.423 ( 0.000 -22.372 -4.403) 22.801 16.367 ( 0.000 -9.590 -6.524) 11.599 16.431 ( 0.000 1.904 -5.136) 5.478 16.731 ( 0.000 -2.602 -2.929) 3.917 ======================= Grid point 56 (23/75) ======================= q-point: ( 0.20 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( 2.468 12.911 14.943) 19.902 1.278 ( -0.044 18.155 15.448) 23.838 1.526 ( -0.600 8.858 16.059) 18.350 1.797 ( 1.878 -0.913 8.697) 8.944 1.948 ( -2.050 -0.077 1.178) 2.365 2.126 ( -15.104 4.373 5.137) 16.542 2.333 ( 2.284 11.600 10.880) 16.067 2.443 ( 18.276 30.203 10.366) 36.792 2.753 ( -2.641 -4.856 40.561) 40.936 2.828 ( -2.032 -5.128 42.992) 43.344 2.978 ( -6.283 -4.187 16.050) 17.737 3.229 ( 7.318 -13.132 -0.035) 15.033 3.318 ( 8.191 -1.615 0.196) 8.351 3.358 ( 11.380 -4.283 -1.539) 12.256 3.560 ( 3.289 -13.705 2.483) 14.311 3.744 ( 1.207 -12.827 -5.991) 14.209 4.207 ( -9.537 6.809 -2.418) 11.966 4.253 ( -8.207 6.089 -1.079) 10.276 4.477 ( -3.516 1.440 -1.392) 4.046 4.500 ( -0.373 1.113 -2.187) 2.483 4.575 ( -3.310 -2.474 -1.583) 4.426 4.708 ( 2.606 1.477 -3.623) 4.701 4.853 ( -4.644 -10.572 -2.012) 11.721 4.976 ( -2.451 -0.620 -1.943) 3.189 5.020 ( -0.968 -10.210 -2.891) 10.655 5.191 ( -16.063 4.933 2.302) 16.960 5.609 ( 2.396 0.786 -0.003) 2.522 5.892 ( 3.867 0.492 3.167) 5.023 5.992 ( -10.328 -1.422 4.402) 11.317 6.126 ( -1.602 1.278 -2.280) 3.066 6.202 ( 17.250 -3.659 -7.735) 19.256 6.702 ( 14.030 -16.813 -18.520) 28.679 7.139 ( 1.747 1.524 -8.901) 9.198 7.386 ( -0.802 -3.437 -10.667) 11.236 7.502 ( 1.877 7.116 -24.556) 25.635 7.626 ( -3.356 5.873 -20.326) 21.421 7.760 ( -0.587 4.563 -9.872) 10.891 8.251 ( -5.427 -15.398 -2.909) 16.584 8.960 ( 3.361 10.552 29.594) 31.598 9.070 ( -0.148 10.598 24.755) 26.929 9.500 ( -0.035 4.257 8.299) 9.327 9.745 ( -4.268 -1.615 14.396) 15.102 11.651 ( 0.448 0.734 2.938) 3.061 11.719 ( -1.391 -0.233 2.604) 2.962 11.765 ( 1.020 0.917 -41.046) 41.069 11.787 ( 0.291 1.130 -37.238) 37.256 12.343 ( 0.215 0.846 -0.395) 0.958 12.363 ( -0.276 0.314 -0.837) 0.936 13.139 ( 0.896 1.390 23.254) 23.313 13.272 ( -0.429 3.711 28.870) 29.111 13.545 ( 5.089 -1.567 9.209) 10.638 13.829 ( -0.903 -4.840 18.713) 19.350 14.337 ( 2.318 -1.159 1.669) 3.082 14.662 ( 0.915 4.035 -1.987) 4.590 14.800 ( -1.837 1.976 1.246) 2.972 14.957 ( -13.864 4.871 -5.120) 15.561 15.616 ( 13.520 -8.481 -6.923) 17.397 16.245 ( -8.215 -4.344 -5.972) 11.046 16.524 ( 5.133 -1.706 -6.364) 8.352 16.713 ( -1.728 -1.905 -3.664) 4.477 ======================= Grid point 57 (24/75) ======================= q-point: ( 0.40 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( 6.427 5.076 16.346) 18.283 1.314 ( 2.066 8.636 16.235) 18.505 1.531 ( 4.650 12.695 13.826) 19.338 1.777 ( -17.670 8.032 7.337) 20.751 1.848 ( 3.089 -0.495 5.238) 6.101 1.909 ( -3.355 -0.566 0.940) 3.530 2.379 ( 5.040 5.483 16.416) 18.027 2.520 ( -8.251 4.367 20.639) 22.652 2.820 ( 1.567 -4.026 42.798) 43.016 2.876 ( -4.138 -4.022 35.196) 35.666 3.041 ( 25.679 14.808 3.107) 29.805 3.325 ( 0.366 -6.407 -0.508) 6.438 3.468 ( 3.073 -10.664 -2.970) 11.488 3.540 ( -4.203 -11.180 -0.063) 11.944 3.580 ( 11.574 -0.324 -1.125) 11.633 3.768 ( -3.075 -7.054 -3.395) 8.411 3.986 ( -7.244 7.726 1.616) 10.713 4.046 ( -10.308 5.338 1.252) 11.676 4.434 ( -0.409 0.887 -7.281) 7.346 4.463 ( -3.007 -0.059 -7.414) 8.001 4.592 ( 4.192 1.485 0.987) 4.555 4.710 ( -8.028 -0.767 -1.260) 8.163 4.777 ( 3.962 -0.508 -1.524) 4.276 4.869 ( -5.506 1.069 -0.099) 5.610 5.026 ( 0.940 -7.818 0.152) 7.876 5.051 ( -1.993 -5.614 1.423) 6.125 5.671 ( 4.217 4.286 1.205) 6.133 5.793 ( -8.735 3.256 2.261) 9.592 5.978 ( 5.155 1.754 2.580) 6.026 6.073 ( -4.068 2.081 1.387) 4.775 6.550 ( 16.510 -9.878 -12.235) 22.801 6.781 ( -5.806 -14.133 -17.364) 23.129 7.199 ( 4.709 -0.880 -9.893) 10.992 7.318 ( -6.833 -4.350 -9.177) 12.240 7.540 ( 2.820 6.391 -21.329) 22.444 7.582 ( -1.108 5.097 -21.289) 21.919 7.864 ( 10.699 -3.339 -7.087) 13.261 8.092 ( -11.039 -11.892 -4.025) 16.717 9.023 ( 2.641 8.938 27.044) 28.605 9.058 ( -1.136 9.224 25.949) 27.563 9.532 ( 3.900 4.095 11.168) 12.518 9.638 ( -6.328 1.484 13.270) 14.777 11.665 ( 1.027 0.503 1.755) 2.095 11.690 ( -1.533 0.201 1.399) 2.085 11.784 ( 0.763 0.913 -39.629) 39.647 11.791 ( -0.020 1.055 -38.089) 38.104 12.349 ( 0.370 0.688 -0.569) 0.966 12.356 ( -0.395 0.463 -0.709) 0.935 13.173 ( 2.569 2.771 24.150) 24.444 13.231 ( -3.159 4.211 25.964) 26.492 13.671 ( 6.821 -2.997 12.691) 14.717 13.780 ( -4.306 -3.426 16.917) 17.789 14.441 ( 8.641 -3.224 -0.162) 9.224 14.634 ( -8.407 -1.328 -3.755) 9.303 14.739 ( -1.871 2.771 0.567) 3.391 14.768 ( -3.112 3.623 0.972) 4.874 15.865 ( 12.059 -3.894 -7.501) 14.726 16.073 ( -9.778 -3.028 -6.881) 12.334 16.608 ( 3.675 -1.026 -6.237) 7.311 16.669 ( -2.778 -0.987 -5.109) 5.898 ======================= Grid point 60 (25/75) ======================= q-point: ( 0.00 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( 0.000 7.258 15.687) 17.284 1.619 ( 0.000 -3.173 8.311) 8.896 1.713 ( 0.000 10.155 6.729) 12.182 1.904 ( 0.000 14.007 4.991) 14.869 1.992 ( 0.000 6.260 2.741) 6.834 2.343 ( 0.000 7.649 19.855) 21.278 2.651 ( 0.000 5.095 16.960) 17.708 2.657 ( 0.000 -0.751 27.191) 27.201 2.707 ( 0.000 0.967 20.125) 20.148 2.750 ( 0.000 -4.503 35.667) 35.950 2.887 ( 0.000 -9.290 5.208) 10.650 3.192 ( 0.000 1.330 -0.243) 1.352 3.215 ( 0.000 -12.217 -1.307) 12.287 3.293 ( 0.000 24.427 6.254) 25.215 3.303 ( 0.000 12.874 -3.011) 13.221 3.375 ( 0.000 -13.217 -0.259) 13.220 4.306 ( 0.000 -6.952 2.127) 7.270 4.337 ( 0.000 -12.475 -9.253) 15.532 4.466 ( 0.000 -0.076 -4.941) 4.942 4.533 ( 0.000 0.796 -11.009) 11.038 4.606 ( 0.000 -7.829 -5.013) 9.297 4.695 ( 0.000 5.738 2.998) 6.474 4.746 ( 0.000 -7.988 -4.736) 9.286 4.804 ( 0.000 2.719 -0.331) 2.739 4.934 ( 0.000 -3.935 0.860) 4.028 5.336 ( 0.000 -16.498 3.396) 16.844 5.675 ( 0.000 11.038 -4.178) 11.802 5.796 ( 0.000 3.701 3.545) 5.125 5.983 ( 0.000 -4.580 6.544) 7.988 6.060 ( 0.000 2.470 -4.277) 4.939 6.184 ( 0.000 -11.020 -10.732) 15.382 6.224 ( 0.000 -3.107 -2.234) 3.827 7.192 ( 0.000 3.824 -6.754) 7.762 7.344 ( 0.000 -3.069 -8.918) 9.431 7.624 ( 0.000 5.849 -25.851) 26.504 7.711 ( 0.000 1.685 -23.498) 23.558 7.888 ( 0.000 2.417 -9.288) 9.598 8.045 ( 0.000 -8.343 -6.766) 10.742 9.154 ( 0.000 9.606 29.338) 30.871 9.256 ( 0.000 5.716 25.447) 26.081 9.572 ( 0.000 2.994 11.056) 11.455 9.715 ( 0.000 -3.814 14.635) 15.123 11.665 ( 0.000 0.950 2.193) 2.390 11.713 ( 0.000 -1.267 1.798) 2.199 11.778 ( 0.000 1.187 -40.766) 40.783 11.802 ( 0.000 0.385 -36.759) 36.761 12.358 ( 0.000 0.728 -0.608) 0.948 12.370 ( 0.000 0.117 -0.872) 0.880 13.164 ( 0.000 2.070 23.915) 24.004 13.266 ( 0.000 -1.500 26.041) 26.084 13.570 ( 0.000 5.226 13.610) 14.579 13.752 ( 0.000 -3.130 15.982) 16.286 14.361 ( 0.000 4.609 1.959) 5.008 14.728 ( 0.000 1.227 -2.916) 3.164 14.845 ( 0.000 0.577 1.546) 1.650 14.969 ( 0.000 -18.700 2.238) 18.834 15.550 ( 0.000 18.154 -12.000) 21.761 16.157 ( 0.000 -11.129 -11.510) 16.011 16.485 ( 0.000 3.336 -5.859) 6.742 16.660 ( 0.000 -4.175 -5.290) 6.739 ======================= Grid point 61 (26/75) ======================= q-point: ( 0.20 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( 0.664 6.447 14.402) 15.793 1.541 ( -5.537 2.508 10.184) 11.860 1.770 ( 3.783 5.049 4.690) 7.861 1.860 ( -3.113 17.540 8.652) 19.804 1.950 ( -2.593 -0.303 -0.397) 2.640 2.205 ( -11.879 7.134 13.402) 19.277 2.618 ( -2.405 9.131 26.335) 27.977 2.659 ( -1.705 -3.672 44.207) 44.392 2.734 ( -1.548 -3.846 34.042) 34.293 2.801 ( 4.520 -1.783 2.184) 5.327 2.963 ( 6.861 -7.857 2.538) 10.735 3.136 ( -1.931 13.828 5.599) 15.042 3.191 ( 0.339 -11.058 -1.022) 11.110 3.247 ( 2.048 -11.264 1.035) 11.495 3.478 ( 13.794 12.797 -3.165) 19.080 3.568 ( 11.206 4.424 0.783) 12.073 4.256 ( -4.505 -4.838 1.398) 6.757 4.356 ( 1.416 -12.386 -9.228) 15.510 4.393 ( -11.840 3.470 -1.880) 12.481 4.464 ( -1.468 -0.987 -8.568) 8.749 4.555 ( -1.338 0.860 -7.917) 8.075 4.677 ( -2.599 -5.554 -4.141) 7.399 4.804 ( 3.035 -3.968 -0.544) 5.025 4.827 ( 2.770 6.125 0.932) 6.787 4.922 ( -1.251 -4.532 1.096) 4.828 5.278 ( -8.228 -2.253 7.107) 11.104 5.620 ( 2.688 2.848 -4.901) 6.274 5.894 ( 1.929 0.347 3.196) 3.749 5.923 ( -3.602 -3.735 4.961) 7.179 6.113 ( 3.216 -1.756 -6.573) 7.526 6.165 ( 3.856 -0.656 -4.574) 6.019 6.354 ( 7.060 -14.367 -7.028) 17.482 7.185 ( -0.352 2.826 -7.770) 8.275 7.317 ( -2.737 -3.179 -8.794) 9.743 7.640 ( 1.257 5.346 -24.561) 25.168 7.718 ( -0.059 2.599 -22.622) 22.770 7.836 ( -3.319 2.956 -8.505) 9.596 8.010 ( -3.469 -7.806 -6.620) 10.807 9.170 ( 1.347 8.478 28.195) 29.473 9.248 ( -0.899 5.664 25.660) 26.293 9.574 ( 0.443 3.199 11.777) 12.212 9.700 ( -1.578 -2.544 14.623) 14.926 11.666 ( 0.151 0.768 1.853) 2.011 11.704 ( -0.804 -0.986 1.758) 2.170 11.787 ( 0.809 1.048 -41.331) 41.352 11.805 ( 0.319 0.448 -37.591) 37.595 12.359 ( 0.085 0.653 -0.659) 0.932 12.368 ( -0.170 0.179 -0.823) 0.859 13.181 ( 2.136 2.568 23.357) 23.595 13.321 ( 3.920 0.017 28.647) 28.914 13.552 ( -0.678 2.693 10.760) 11.112 13.757 ( -0.110 -2.608 17.934) 18.123 14.342 ( -1.085 2.536 1.789) 3.288 14.700 ( -5.078 -4.826 -3.542) 7.850 14.815 ( -3.259 -1.062 1.053) 3.586 14.871 ( -4.742 -4.436 3.898) 7.574 15.684 ( 10.971 11.332 -12.114) 19.888 16.132 ( -2.739 -7.257 -12.131) 14.399 16.514 ( 2.658 1.120 -5.845) 6.517 16.651 ( -1.002 -3.872 -5.413) 6.731 ======================= Grid point 62 (27/75) ======================= q-point: ( 0.40 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( 2.843 4.215 12.551) 13.542 1.444 ( -4.452 3.186 11.802) 13.010 1.836 ( 3.258 4.706 2.724) 6.339 1.848 ( 2.152 10.647 7.723) 13.328 1.903 ( -2.100 1.080 1.104) 2.606 1.983 ( -9.814 11.908 10.153) 18.472 2.577 ( -0.385 9.953 23.359) 25.394 2.613 ( -3.236 3.753 36.746) 37.079 2.720 ( 1.133 -6.149 33.643) 34.219 2.772 ( -4.033 -6.848 21.365) 22.795 3.071 ( 4.177 -9.545 1.551) 10.534 3.132 ( -2.193 -9.003 2.156) 9.513 3.286 ( 6.663 -5.419 -0.375) 8.596 3.316 ( 3.022 -9.582 0.501) 10.060 3.720 ( 10.122 10.107 -3.840) 14.811 3.763 ( 7.226 9.694 -1.890) 12.238 4.150 ( -5.702 4.583 0.854) 7.365 4.171 ( -8.412 6.674 0.310) 10.743 4.389 ( 1.498 -6.548 -10.554) 12.510 4.424 ( -2.383 -3.615 -11.724) 12.498 4.559 ( 1.723 -1.041 -4.953) 5.347 4.612 ( -3.528 -4.236 -4.240) 6.955 4.840 ( 1.339 -5.797 0.360) 5.960 4.870 ( -1.312 -3.467 0.598) 3.755 4.935 ( 5.723 7.713 4.022) 10.412 5.087 ( -9.627 9.233 7.835) 15.470 5.719 ( 4.789 -0.043 -2.763) 5.530 5.803 ( -4.911 -1.559 1.973) 5.517 5.990 ( 6.010 -1.707 1.951) 6.545 6.098 ( -3.827 -1.441 -2.889) 5.007 6.310 ( 8.001 -9.032 -6.696) 13.799 6.414 ( -1.649 -16.634 -7.638) 18.378 7.195 ( 1.639 0.461 -9.001) 9.161 7.250 ( -3.766 -2.220 -9.017) 10.021 7.661 ( 1.113 4.711 -20.503) 21.067 7.690 ( -1.889 4.546 -19.737) 20.341 7.840 ( 3.228 -0.167 -10.182) 10.683 7.924 ( -4.996 -4.847 -7.769) 10.431 9.196 ( 1.309 6.485 26.386) 27.203 9.223 ( -1.507 5.682 25.847) 26.507 9.601 ( 2.448 2.782 13.470) 13.970 9.656 ( -2.857 0.372 14.475) 14.759 11.672 ( 0.555 0.302 1.445) 1.577 11.687 ( -0.914 -0.343 1.523) 1.809 11.802 ( 0.669 0.774 -41.330) 41.343 11.809 ( -0.028 0.573 -39.642) 39.646 12.361 ( 0.138 0.474 -0.707) 0.862 12.365 ( -0.203 0.304 -0.737) 0.823 13.246 ( 4.413 4.038 23.623) 24.368 13.329 ( -3.251 4.542 26.515) 27.097 13.608 ( 6.182 -2.740 13.532) 15.128 13.719 ( -4.219 -2.602 18.315) 18.974 14.365 ( 4.421 -2.817 1.478) 5.446 14.516 ( -10.649 -8.321 0.129) 13.515 14.797 ( 0.810 2.532 1.097) 2.876 14.823 ( -1.730 1.680 1.835) 3.031 15.893 ( 9.860 4.935 -12.736) 16.846 16.048 ( -6.190 -0.765 -12.833) 14.268 16.572 ( 2.996 -1.627 -5.855) 6.775 16.621 ( -2.085 -3.057 -5.683) 6.782 ======================= Grid point 65 (28/75) ======================= q-point: ( 0.00 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( 0.000 -7.385 10.794) 13.078 1.486 ( 0.000 7.385 10.794) 13.078 1.888 ( 0.000 -6.013 1.117) 6.116 1.888 ( 0.000 6.013 1.117) 6.116 2.360 ( 0.000 -14.956 7.790) 16.863 2.360 ( 0.000 14.956 7.790) 16.863 2.614 ( 0.000 -5.538 55.200) 55.477 2.614 ( 0.000 5.538 55.200) 55.477 2.712 ( 0.000 -0.004 1.361) 1.361 2.712 ( 0.000 0.004 1.361) 1.361 2.872 ( 0.000 -10.488 3.743) 11.136 2.872 ( 0.000 10.488 3.743) 11.136 3.216 ( 0.000 -3.781 1.426) 4.041 3.216 ( 0.000 3.781 1.426) 4.041 3.766 ( 0.000 -12.017 -3.873) 12.626 3.766 ( 0.000 12.017 -3.873) 12.626 3.989 ( 0.000 -10.677 -0.843) 10.711 3.989 ( 0.000 10.677 -0.843) 10.711 4.547 ( 0.000 -6.435 -7.510) 9.890 4.547 ( 0.000 6.435 -7.510) 9.890 4.566 ( 0.000 -1.778 -10.918) 11.062 4.566 ( 0.000 1.778 -10.918) 11.062 4.821 ( 0.000 -5.864 2.513) 6.380 4.821 ( 0.000 5.864 2.513) 6.380 5.008 ( 0.000 -13.228 5.026) 14.150 5.008 ( 0.000 13.228 5.026) 14.150 5.887 ( 0.000 -4.662 4.909) 6.770 5.887 ( 0.000 4.662 4.909) 6.770 5.915 ( 0.000 -11.740 -6.933) 13.635 5.915 ( 0.000 11.740 -6.933) 13.635 6.154 ( 0.000 -3.428 -2.622) 4.316 6.154 ( 0.000 3.428 -2.622) 4.316 7.273 ( 0.000 -3.769 -6.816) 7.789 7.273 ( 0.000 3.769 -6.816) 7.789 7.708 ( 0.000 -2.048 -24.563) 24.649 7.708 ( 0.000 2.048 -24.563) 24.649 7.936 ( 0.000 -2.975 -8.804) 9.293 7.936 ( 0.000 2.975 -8.804) 9.293 9.288 ( 0.000 -2.669 27.344) 27.474 9.288 ( 0.000 2.669 27.344) 27.474 9.638 ( 0.000 -3.423 13.385) 13.816 9.638 ( 0.000 3.423 13.385) 13.816 11.687 ( 0.000 -1.186 1.219) 1.700 11.687 ( 0.000 1.186 1.219) 1.700 11.798 ( 0.000 -0.662 -38.543) 38.549 11.798 ( 0.000 0.662 -38.543) 38.549 12.369 ( 0.000 -0.272 -0.810) 0.855 12.369 ( 0.000 0.272 -0.810) 0.855 13.217 ( 0.000 -2.620 24.225) 24.366 13.217 ( 0.000 2.620 24.225) 24.366 13.678 ( 0.000 -4.128 15.598) 16.135 13.678 ( 0.000 4.128 15.598) 16.135 14.543 ( 0.000 -12.907 0.209) 12.909 14.543 ( 0.000 12.907 0.209) 12.909 14.840 ( 0.000 -0.674 1.895) 2.011 14.840 ( 0.000 0.674 1.895) 2.011 15.892 ( 0.000 -14.586 -12.825) 19.422 15.892 ( 0.000 14.586 -12.825) 19.422 16.568 ( 0.000 -4.431 -6.021) 7.476 16.568 ( 0.000 4.431 -6.021) 7.476 ======================= Grid point 67 (29/75) ======================= q-point: ( 0.20 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( -1.850 0.000 10.234) 10.400 1.486 ( -0.937 -0.000 10.817) 10.858 1.878 ( -0.498 -0.000 0.963) 1.084 1.891 ( -0.516 0.000 1.462) 1.550 2.175 ( -8.380 0.000 4.761) 9.638 2.307 ( -8.213 -0.000 9.482) 12.544 2.600 ( -1.251 0.000 44.542) 44.559 2.602 ( -0.734 -0.000 49.904) 49.909 2.714 ( -0.073 0.000 13.487) 13.487 2.741 ( -2.930 0.000 11.391) 11.761 2.965 ( 9.167 -0.000 1.764) 9.335 2.983 ( 9.952 0.000 0.876) 9.990 3.159 ( -4.093 0.000 1.984) 4.548 3.172 ( -4.258 -0.000 2.197) 4.792 3.794 ( 4.301 -0.000 -4.814) 6.456 3.842 ( 5.734 0.000 -3.155) 6.545 4.026 ( 4.922 0.000 -3.093) 5.813 4.073 ( 6.418 0.000 -1.447) 6.579 4.464 ( -6.869 -0.000 -10.221) 12.315 4.482 ( -4.922 0.000 -6.711) 8.323 4.575 ( 0.201 0.000 -5.421) 5.425 4.578 ( -0.628 -0.000 -10.665) 10.683 4.808 ( -1.360 0.000 0.855) 1.607 4.812 ( -0.964 -0.000 2.964) 3.117 5.056 ( 4.091 0.000 5.494) 6.850 5.073 ( 5.832 0.000 5.212) 7.822 5.760 ( -6.247 -0.000 -1.013) 6.329 5.794 ( -3.963 0.000 -1.303) 4.172 5.985 ( 1.422 -0.000 0.325) 1.459 6.002 ( 2.790 0.000 -1.406) 3.124 6.186 ( 3.283 -0.000 -4.365) 5.462 6.191 ( 3.108 0.000 -3.011) 4.327 7.244 ( -2.128 -0.000 -7.890) 8.172 7.256 ( -1.962 0.000 -7.095) 7.361 7.705 ( 0.383 0.000 -23.320) 23.323 7.736 ( 1.549 0.000 -23.743) 23.793 7.893 ( -3.473 0.000 -7.711) 8.457 7.906 ( -2.604 -0.000 -9.118) 9.483 9.274 ( -0.684 0.000 26.117) 26.126 9.295 ( -0.216 0.000 27.120) 27.121 9.630 ( 0.044 -0.000 13.459) 13.459 9.652 ( 0.498 0.000 14.465) 14.474 11.684 ( -0.287 -0.000 2.262) 2.280 11.684 ( -0.272 0.000 -0.002) 0.272 11.803 ( 0.505 0.000 -40.698) 40.701 11.805 ( 0.540 0.000 -38.116) 38.120 12.367 ( -0.070 -0.000 -0.857) 0.860 12.369 ( -0.040 0.000 -0.737) 0.738 13.223 ( 2.680 0.000 22.105) 22.267 13.300 ( 5.939 -0.000 27.991) 28.614 13.605 ( -3.879 0.000 11.323) 11.969 13.720 ( 0.680 0.000 19.887) 19.898 14.457 ( -6.714 0.000 -0.227) 6.717 14.493 ( -5.193 -0.000 1.822) 5.503 14.826 ( -0.264 0.000 0.578) 0.636 14.849 ( -0.219 -0.000 2.857) 2.865 15.928 ( 3.702 -0.000 -14.508) 14.973 15.943 ( 3.879 0.000 -12.876) 13.448 16.567 ( -0.005 0.000 -5.694) 5.694 16.568 ( 0.011 -0.000 -5.986) 5.986 ======================= Grid point 69 (30/75) ======================= q-point: ( 0.40 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( 0.023 0.000 9.994) 9.994 1.456 ( -1.842 -0.000 10.466) 10.627 1.868 ( -0.531 -0.000 0.730) 0.903 1.870 ( -0.993 0.000 0.901) 1.341 2.102 ( 0.500 0.000 5.504) 5.527 2.165 ( -5.667 0.000 7.657) 9.526 2.574 ( -0.888 -0.000 31.058) 31.070 2.581 ( -1.316 0.000 35.491) 35.516 2.688 ( -1.335 -0.000 26.271) 26.305 2.691 ( -1.216 0.000 30.068) 30.092 3.077 ( -0.178 -0.000 2.585) 2.591 3.096 ( -2.770 -0.000 3.446) 4.421 3.132 ( 4.306 0.000 0.167) 4.309 3.138 ( 3.115 0.000 0.903) 3.244 3.904 ( 5.632 0.000 -5.712) 8.022 3.939 ( 2.668 0.000 -4.352) 5.105 4.150 ( 7.390 0.000 -4.755) 8.788 4.205 ( 6.316 0.000 -1.565) 6.507 4.320 ( -7.028 0.000 -10.072) 12.282 4.363 ( -6.949 -0.000 -6.967) 9.840 4.563 ( -0.528 0.000 -7.574) 7.593 4.567 ( -0.702 -0.000 -5.635) 5.678 4.779 ( -1.141 0.000 0.353) 1.194 4.783 ( -1.495 -0.000 1.065) 1.836 5.135 ( 3.523 -0.000 9.178) 9.831 5.162 ( 1.669 0.000 9.226) 9.376 5.708 ( 1.266 0.000 -6.372) 6.496 5.752 ( -1.589 0.000 -6.537) 6.727 5.978 ( -0.568 -0.000 3.614) 3.658 6.001 ( -2.054 0.000 2.357) 3.126 6.245 ( 2.009 -0.000 -5.162) 5.539 6.246 ( 1.831 0.000 -4.646) 4.993 7.211 ( -0.906 0.000 -8.636) 8.683 7.217 ( -1.516 -0.000 -8.269) 8.407 7.716 ( 0.908 0.000 -19.275) 19.296 7.742 ( -1.225 0.000 -19.997) 20.034 7.848 ( -0.423 0.000 -9.721) 9.730 7.863 ( -1.582 -0.000 -10.944) 11.058 9.267 ( 0.112 0.000 25.212) 25.213 9.280 ( -1.093 0.000 25.704) 25.728 9.641 ( 0.903 0.000 14.761) 14.789 9.654 ( -0.313 0.000 15.267) 15.270 11.679 ( -0.136 -0.000 1.704) 1.710 11.679 ( -0.153 0.000 0.520) 0.542 11.812 ( 0.349 0.000 -41.569) 41.571 11.814 ( 0.227 0.000 -40.201) 40.201 12.367 ( 0.002 -0.000 -0.784) 0.784 12.368 ( -0.098 0.000 -0.710) 0.716 13.305 ( 5.185 0.000 21.976) 22.579 13.379 ( -0.438 0.000 28.252) 28.255 13.579 ( 3.362 0.000 12.511) 12.955 13.683 ( -4.770 0.000 21.030) 21.564 14.357 ( -2.172 0.000 0.610) 2.257 14.388 ( -4.639 -0.000 2.670) 5.352 14.828 ( 0.365 0.000 0.859) 0.933 14.838 ( -0.667 -0.000 1.936) 2.047 15.996 ( 2.475 -0.000 -15.386) 15.584 16.004 ( 1.712 0.000 -14.480) 14.581 16.567 ( 0.012 0.000 -5.419) 5.419 16.568 ( -0.028 -0.000 -5.610) 5.610 ======================= Grid point 90 (31/75) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( 0.000 0.000 17.701) 17.701 0.919 ( 0.000 0.000 21.068) 21.068 1.672 ( 0.000 0.000 27.921) 27.921 1.734 ( 0.000 0.000 -2.077) 2.077 1.825 ( 0.000 0.000 4.152) 4.152 2.136 ( 0.000 0.000 4.107) 4.107 2.215 ( 0.000 0.000 27.015) 27.015 3.011 ( 0.000 0.000 0.798) 0.798 3.022 ( 0.000 0.000 15.981) 15.981 3.255 ( 0.000 0.000 -15.570) 15.570 3.363 ( 0.000 0.000 6.278) 6.278 3.550 ( 0.000 0.000 8.364) 8.364 3.701 ( 0.000 0.000 -16.041) 16.041 3.905 ( 0.000 0.000 0.100) 0.100 3.907 ( 0.000 0.000 2.355) 2.355 4.199 ( 0.000 0.000 61.395) 61.395 4.249 ( 0.000 0.000 -1.423) 1.423 4.308 ( 0.000 0.000 -12.591) 12.591 4.318 ( 0.000 0.000 5.306) 5.306 4.469 ( 0.000 0.000 14.382) 14.382 4.760 ( 0.000 0.000 -0.847) 0.847 5.045 ( 0.000 0.000 5.110) 5.110 5.089 ( 0.000 0.000 -1.046) 1.046 5.183 ( 0.000 0.000 -7.985) 7.985 5.238 ( 0.000 0.000 -4.337) 4.337 5.321 ( 0.000 0.000 -6.088) 6.088 5.595 ( 0.000 0.000 34.912) 34.912 5.652 ( 0.000 0.000 -12.671) 12.671 5.718 ( 0.000 0.000 1.849) 1.849 5.942 ( 0.000 0.000 8.122) 8.122 6.271 ( 0.000 0.000 -3.437) 3.437 6.589 ( 0.000 0.000 20.342) 20.342 6.755 ( 0.000 0.000 -18.603) 18.603 6.867 ( 0.000 0.000 -11.074) 11.074 6.988 ( 0.000 0.000 -23.036) 23.036 7.174 ( 0.000 0.000 -17.872) 17.872 7.327 ( 0.000 0.000 -10.792) 10.792 8.962 ( 0.000 0.000 -15.733) 15.733 9.195 ( 0.000 0.000 19.618) 19.618 9.249 ( 0.000 0.000 16.782) 16.782 9.301 ( 0.000 0.000 31.517) 31.517 10.127 ( 0.000 0.000 15.808) 15.808 10.810 ( 0.000 0.000 -48.346) 48.346 10.953 ( 0.000 0.000 -43.198) 43.198 11.732 ( 0.000 0.000 6.692) 6.692 11.793 ( 0.000 0.000 4.816) 4.816 12.308 ( 0.000 0.000 -1.257) 1.257 12.332 ( 0.000 0.000 -1.700) 1.700 13.508 ( 0.000 0.000 17.069) 17.069 13.666 ( 0.000 0.000 3.834) 3.834 13.701 ( 0.000 0.000 20.463) 20.463 14.238 ( 0.000 0.000 -1.279) 1.279 14.408 ( 0.000 0.000 2.470) 2.470 14.442 ( 0.000 0.000 -10.886) 10.886 14.456 ( 0.000 0.000 -4.408) 4.408 14.949 ( 0.000 0.000 13.351) 13.351 15.602 ( 0.000 0.000 -21.113) 21.113 16.282 ( 0.000 0.000 -7.030) 7.030 16.617 ( 0.000 0.000 2.233) 2.233 17.087 ( 0.000 0.000 -4.611) 4.611 ======================= Grid point 91 (32/75) ======================= q-point: ( 0.20 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( 13.321 0.000 17.286) 21.823 1.163 ( 27.942 0.000 11.787) 30.326 1.736 ( -0.911 0.000 0.435) 1.009 1.748 ( 7.234 0.000 21.214) 22.414 1.839 ( 1.382 0.000 5.318) 5.495 2.077 ( -4.521 0.000 7.281) 8.570 2.280 ( 7.745 0.000 24.780) 25.962 2.874 ( -8.687 0.000 11.233) 14.200 3.072 ( 5.704 0.000 2.530) 6.240 3.224 ( -10.815 0.000 7.631) 13.236 3.398 ( 7.537 0.000 -13.199) 15.200 3.588 ( 2.756 0.000 -0.429) 2.789 3.733 ( 3.634 0.000 -11.637) 12.191 3.852 ( -5.904 0.000 3.900) 7.076 3.950 ( 3.479 0.000 0.688) 3.546 4.095 ( -18.378 0.000 18.271) 25.915 4.188 ( -5.994 0.000 40.006) 40.453 4.278 ( 2.106 0.000 -1.638) 2.668 4.313 ( 0.312 0.000 -11.228) 11.232 4.320 ( -12.140 0.000 20.116) 23.495 4.798 ( 0.116 0.000 8.175) 8.176 4.932 ( -16.377 0.000 8.872) 18.626 4.994 ( -2.847 0.000 3.632) 4.615 5.078 ( -2.061 0.000 -2.093) 2.937 5.122 ( -6.143 0.000 8.818) 10.746 5.377 ( -7.217 0.000 14.254) 15.977 5.377 ( 4.883 0.000 -1.832) 5.215 5.667 ( -4.436 0.000 3.050) 5.383 5.938 ( 19.466 0.000 -15.882) 25.122 6.001 ( 5.542 0.000 8.716) 10.329 6.496 ( 6.119 0.000 -14.486) 15.725 6.519 ( -6.979 0.000 19.364) 20.583 6.794 ( 4.079 0.000 -18.972) 19.405 6.905 ( 3.662 0.000 -11.719) 12.278 7.021 ( 3.818 0.000 -21.312) 21.651 7.151 ( -2.361 0.000 -17.153) 17.315 7.518 ( 19.034 0.000 -11.703) 22.344 8.807 ( -14.768 0.000 -12.831) 19.564 9.239 ( 4.418 0.000 22.069) 22.507 9.335 ( 8.565 0.000 16.211) 18.335 9.347 ( 2.753 0.000 25.901) 26.047 10.040 ( -8.649 0.000 14.776) 17.121 10.832 ( 2.053 0.000 -46.791) 46.836 10.944 ( -0.935 0.000 -43.331) 43.341 11.739 ( 0.688 0.000 6.504) 6.540 11.788 ( -0.473 0.000 4.988) 5.011 12.309 ( 0.154 0.000 -1.248) 1.257 12.331 ( -0.189 0.000 -1.646) 1.657 13.514 ( 0.677 0.000 17.087) 17.101 13.664 ( -3.417 0.000 19.547) 19.843 13.761 ( 9.210 0.000 4.036) 10.056 14.273 ( 3.207 0.000 -1.727) 3.643 14.359 ( -5.153 0.000 5.011) 7.188 14.432 ( -1.099 0.000 -9.779) 9.840 14.478 ( 2.132 0.000 -4.824) 5.274 14.820 ( -10.244 0.000 5.342) 11.554 15.767 ( 14.460 0.000 -13.603) 19.853 16.315 ( 3.287 0.000 -6.055) 6.890 16.585 ( -3.155 0.000 1.428) 3.463 16.875 ( -19.121 0.000 0.119) 19.121 ======================= Grid point 92 (33/75) ======================= q-point: ( 0.40 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( 16.708 0.000 11.145) 20.084 1.567 ( 13.942 0.000 17.925) 22.709 1.637 ( -10.347 0.000 5.653) 11.791 1.761 ( -6.410 0.000 16.757) 17.941 1.935 ( 5.364 0.000 2.847) 6.073 2.005 ( -2.895 0.000 0.908) 3.034 2.642 ( 30.073 0.000 21.494) 36.965 2.816 ( 3.670 0.000 10.815) 11.420 2.986 ( -12.304 0.000 10.565) 16.218 3.129 ( -8.204 0.000 11.025) 13.742 3.521 ( 5.038 0.000 -17.285) 18.004 3.592 ( -2.229 0.000 -16.284) 16.436 3.631 ( -13.711 0.000 -0.857) 13.738 3.700 ( -13.149 0.000 3.771) 13.679 3.858 ( 8.114 0.000 -0.580) 8.135 3.974 ( -2.440 0.000 -0.016) 2.440 4.099 ( -2.476 0.000 39.015) 39.094 4.132 ( -5.657 0.000 41.654) 42.036 4.300 ( 0.841 0.000 -6.463) 6.517 4.318 ( -0.338 0.000 -5.477) 5.487 4.739 ( -3.222 0.000 24.695) 24.905 4.748 ( -3.111 0.000 16.447) 16.739 4.978 ( 1.199 0.000 1.510) 1.928 5.023 ( -3.082 0.000 -1.158) 3.293 5.156 ( 5.980 0.000 1.509) 6.167 5.272 ( -5.550 0.000 2.870) 6.248 5.478 ( 5.202 0.000 2.461) 5.755 5.574 ( -4.954 0.000 3.990) 6.361 6.144 ( 9.313 0.000 12.010) 15.198 6.258 ( 13.326 0.000 -18.288) 22.628 6.343 ( -10.620 0.000 16.380) 19.521 6.454 ( -7.258 0.000 -18.490) 19.864 6.912 ( 7.446 0.000 -19.131) 20.529 6.993 ( 5.105 0.000 -13.351) 14.293 7.032 ( -3.658 0.000 -20.243) 20.571 7.086 ( -4.339 0.000 -15.403) 16.003 7.973 ( 25.721 0.000 -13.036) 28.836 8.443 ( -22.439 0.000 -12.392) 25.634 9.327 ( 3.858 0.000 23.062) 23.382 9.370 ( -0.539 0.000 24.013) 24.019 9.554 ( 13.526 0.000 14.989) 20.189 9.821 ( -13.473 0.000 14.172) 19.554 10.877 ( 2.367 0.000 -44.794) 44.857 10.918 ( -1.790 0.000 -43.775) 43.812 11.756 ( 1.002 0.000 6.023) 6.106 11.775 ( -0.869 0.000 5.445) 5.514 12.315 ( 0.453 0.000 -1.323) 1.399 12.324 ( -0.478 0.000 -1.482) 1.557 13.539 ( 2.020 0.000 17.351) 17.468 13.593 ( -3.538 0.000 18.176) 18.517 13.978 ( 12.421 0.000 6.193) 13.879 14.206 ( -10.563 0.000 8.100) 13.311 14.341 ( 3.519 0.000 -3.798) 5.178 14.399 ( -2.393 0.000 -6.984) 7.383 14.537 ( 4.129 0.000 -5.108) 6.568 14.644 ( -7.313 0.000 -2.939) 7.881 16.089 ( 18.508 0.000 -4.946) 19.157 16.400 ( 5.248 0.000 -3.601) 6.365 16.471 ( -21.244 0.000 1.047) 21.270 16.503 ( -5.166 0.000 -0.750) 5.220 ======================= Grid point 95 (34/75) ======================= q-point: ( 0.00 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( 0.000 20.222 13.930) 24.556 1.145 ( 0.000 17.268 13.802) 22.106 1.749 ( 0.000 6.480 23.298) 24.183 1.809 ( 0.000 4.428 -2.705) 5.189 1.918 ( 0.000 10.772 3.058) 11.198 2.103 ( 0.000 -2.717 4.973) 5.666 2.208 ( 0.000 1.260 24.517) 24.549 2.843 ( 0.000 -8.270 13.365) 15.717 3.129 ( 0.000 2.763 3.708) 4.624 3.212 ( 0.000 -4.310 -12.396) 13.124 3.306 ( 0.000 -4.530 5.493) 7.120 3.461 ( 0.000 -7.608 10.702) 13.131 3.650 ( 0.000 -5.052 -12.730) 13.696 3.769 ( 0.000 -10.849 0.271) 10.853 3.892 ( 0.000 -1.371 11.236) 11.319 4.058 ( 0.000 -6.614 -6.559) 9.315 4.216 ( 0.000 0.095 62.736) 62.736 4.320 ( 0.000 0.701 -8.811) 8.839 4.480 ( 0.000 8.322 5.699) 10.087 4.604 ( 0.000 6.604 11.820) 13.540 4.708 ( 0.000 -4.873 14.383) 15.186 4.886 ( 0.000 -11.908 3.547) 12.426 4.946 ( 0.000 -7.338 3.037) 7.941 5.090 ( 0.000 -8.445 -4.468) 9.554 5.163 ( 0.000 -7.175 3.507) 7.986 5.232 ( 0.000 3.952 -6.859) 7.916 5.664 ( 0.000 1.487 -10.625) 10.729 5.711 ( 0.000 -1.264 0.885) 1.543 5.929 ( 0.000 8.577 -0.243) 8.581 5.967 ( 0.000 5.324 2.714) 5.976 6.249 ( 0.000 -2.255 -3.840) 4.453 6.512 ( 0.000 -6.498 18.588) 19.691 6.818 ( 0.000 5.923 -18.899) 19.805 6.881 ( 0.000 1.464 -10.722) 10.822 7.057 ( 0.000 5.712 -22.016) 22.745 7.219 ( 0.000 0.007 -15.695) 15.695 7.357 ( 0.000 6.254 -12.990) 14.418 8.618 ( 0.000 -22.405 -9.544) 24.353 9.304 ( 0.000 10.553 22.015) 24.414 9.370 ( 0.000 6.366 30.520) 31.177 9.498 ( 0.000 12.982 10.140) 16.473 10.147 ( 0.000 1.045 16.400) 16.433 10.809 ( 0.000 -0.055 -48.520) 48.520 10.953 ( 0.000 -0.161 -43.333) 43.333 11.748 ( 0.000 1.350 6.978) 7.107 11.820 ( 0.000 2.133 5.105) 5.532 12.315 ( 0.000 0.642 -1.120) 1.291 12.335 ( 0.000 0.252 -1.656) 1.675 13.516 ( 0.000 0.687 16.805) 16.819 13.652 ( 0.000 -1.012 4.318) 4.435 13.730 ( 0.000 2.687 20.823) 20.996 14.201 ( 0.000 -3.062 3.049) 4.321 14.399 ( 0.000 -0.047 2.656) 2.657 14.493 ( 0.000 3.350 -4.924) 5.955 14.569 ( 0.000 10.731 -11.811) 15.957 14.949 ( 0.000 0.003 11.646) 11.646 15.505 ( 0.000 -8.823 -18.358) 20.368 16.280 ( 0.000 -0.116 -7.639) 7.640 16.565 ( 0.000 -6.343 1.151) 6.446 16.868 ( 0.000 -15.890 -1.040) 15.924 ======================= Grid point 96 (35/75) ======================= q-point: ( 0.20 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( 10.325 9.114 14.672) 20.123 1.388 ( 15.697 12.923 13.085) 24.179 1.790 ( 0.661 3.500 6.569) 7.473 1.835 ( 3.428 5.978 8.415) 10.877 1.902 ( -1.555 7.530 5.694) 9.568 2.062 ( -3.134 -1.171 6.086) 6.944 2.311 ( 12.234 5.287 22.334) 26.008 2.731 ( -7.576 -8.798 12.665) 17.182 3.123 ( -3.145 -1.960 5.287) 6.456 3.205 ( -1.924 1.528 3.533) 4.303 3.357 ( 7.694 -4.486 -11.250) 14.349 3.501 ( 3.529 -7.264 3.151) 8.669 3.672 ( 1.644 -5.744 -11.284) 12.768 3.827 ( 4.040 -9.085 6.423) 11.837 3.858 ( -3.923 0.242 10.035) 10.777 3.998 ( -7.633 -3.854 -5.042) 9.927 4.174 ( -3.686 -0.794 55.223) 55.351 4.310 ( -1.750 1.570 -1.014) 2.560 4.388 ( -8.975 4.943 2.344) 10.511 4.475 ( -8.646 8.532 9.817) 15.618 4.722 ( -0.896 -5.442 21.982) 22.663 4.819 ( -4.635 -7.694 4.365) 9.987 4.976 ( -10.883 -2.546 3.479) 11.706 4.993 ( 0.506 -6.660 -0.362) 6.689 5.102 ( -3.096 -1.400 2.625) 4.294 5.132 ( 1.575 -6.185 -3.378) 7.221 5.641 ( -1.874 -1.325 1.765) 2.895 5.749 ( -8.860 13.973 -1.112) 16.583 5.965 ( 14.775 1.512 -12.693) 19.537 6.003 ( 7.525 0.134 6.641) 10.037 6.396 ( -1.497 -7.128 3.585) 8.118 6.529 ( 3.310 -1.604 -0.492) 3.711 6.848 ( 3.352 4.044 -17.044) 17.835 6.928 ( 4.303 2.973 -12.871) 13.893 7.059 ( 1.797 3.664 -20.340) 20.745 7.209 ( -3.276 2.823 -16.994) 17.536 7.476 ( 14.021 -1.452 -11.261) 18.042 8.531 ( -9.415 -20.286 -10.482) 24.699 9.341 ( 3.176 9.249 22.671) 24.690 9.386 ( 1.927 6.347 28.333) 29.099 9.536 ( 4.028 11.131 12.218) 17.012 10.069 ( -7.680 1.903 15.412) 17.325 10.830 ( 1.891 -0.261 -47.194) 47.233 10.942 ( -1.043 -0.249 -43.565) 43.578 11.754 ( 0.627 1.275 6.799) 6.946 11.811 ( -0.854 1.812 5.369) 5.730 12.316 ( 0.105 0.611 -1.149) 1.306 12.333 ( -0.184 0.239 -1.595) 1.623 13.519 ( 0.633 0.452 16.560) 16.578 13.684 ( -3.411 1.843 17.685) 18.105 13.751 ( 8.558 -0.599 6.852) 10.980 14.220 ( 0.549 -3.508 5.050) 6.173 14.382 ( -0.976 1.347 2.204) 2.761 14.510 ( 1.469 3.163 -5.226) 6.283 14.548 ( -1.876 9.839 -10.651) 14.621 14.829 ( -9.293 0.704 3.953) 10.123 15.662 ( 13.452 -9.201 -10.971) 19.646 16.294 ( 0.817 -2.511 -5.531) 6.129 16.529 ( -3.729 -6.588 0.324) 7.577 16.741 ( -11.042 -8.994 -1.128) 14.286 ======================= Grid point 97 (36/75) ======================= q-point: ( 0.40 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( 17.368 2.882 10.155) 20.324 1.611 ( 5.477 2.784 16.345) 17.461 1.702 ( -8.714 6.135 5.082) 11.807 1.775 ( -5.883 1.710 16.658) 17.749 1.950 ( 3.363 0.850 4.228) 5.469 2.006 ( -2.754 -0.278 3.271) 4.285 2.667 ( 11.521 -2.339 12.654) 17.272 2.686 ( 7.321 -1.767 15.090) 16.865 2.989 ( 1.713 0.644 8.723) 8.913 3.262 ( -4.670 6.475 5.564) 9.731 3.484 ( 5.139 -4.036 -13.984) 15.435 3.530 ( 1.731 -3.518 -8.118) 9.016 3.605 ( -9.503 -4.404 -6.326) 12.236 3.713 ( -11.351 1.721 2.061) 11.665 3.855 ( 2.656 -0.323 5.249) 5.892 3.894 ( -0.112 -3.054 11.423) 11.825 4.111 ( -1.609 -1.215 40.485) 40.535 4.169 ( -7.868 1.551 22.783) 24.153 4.321 ( 1.498 1.925 -4.677) 5.275 4.376 ( -3.398 5.439 1.159) 6.517 4.694 ( -0.619 -2.748 23.827) 23.993 4.721 ( -3.686 -1.621 13.941) 14.511 4.898 ( 0.894 -7.072 1.060) 7.207 4.947 ( -3.481 -6.943 -1.680) 7.946 5.131 ( 3.436 -2.568 1.256) 4.470 5.167 ( 0.339 -6.239 1.208) 6.364 5.611 ( -0.631 3.737 2.430) 4.502 5.636 ( -3.445 9.562 0.578) 10.180 6.108 ( 7.794 -2.392 7.881) 11.339 6.258 ( -1.313 -3.798 1.037) 4.150 6.302 ( 6.186 0.102 -5.682) 8.400 6.487 ( -7.108 1.406 -13.572) 15.385 6.951 ( 7.008 1.871 -15.922) 17.496 7.020 ( 4.699 3.570 -15.352) 16.447 7.074 ( -2.378 3.228 -19.401) 19.811 7.104 ( -6.155 1.245 -14.895) 16.164 7.851 ( 22.435 -9.568 -11.743) 27.070 8.257 ( -18.619 -15.153 -11.580) 26.653 9.399 ( 2.344 6.911 24.145) 25.224 9.418 ( 0.526 5.628 25.666) 26.281 9.666 ( 9.628 7.853 13.961) 18.689 9.878 ( -11.439 4.253 14.446) 18.911 10.872 ( 2.348 -0.469 -45.348) 45.411 10.914 ( -1.893 -0.417 -44.213) 44.256 11.770 ( 1.015 1.180 6.366) 6.554 11.791 ( -1.113 1.333 5.859) 6.111 12.320 ( 0.355 0.488 -1.268) 1.404 12.328 ( -0.391 0.320 -1.439) 1.525 13.547 ( 2.318 0.751 16.784) 16.960 13.608 ( -3.906 1.391 17.494) 17.979 13.954 ( 11.382 -1.697 7.534) 13.755 14.150 ( -8.013 -3.298 9.179) 12.623 14.404 ( 3.202 3.684 -2.509) 5.488 14.476 ( -3.824 5.790 -6.884) 9.774 14.575 ( 3.843 4.084 -5.639) 7.953 14.672 ( -6.520 2.750 -3.269) 7.795 15.949 ( 15.660 -11.202 -2.963) 19.480 16.224 ( -10.836 -12.781 1.460) 16.820 16.475 ( 1.010 0.345 -5.178) 5.287 16.557 ( -6.802 0.910 -4.301) 8.099 ======================= Grid point 100 (37/75) ======================= q-point: ( 0.00 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( 0.000 11.681 10.926) 15.995 1.506 ( 0.000 23.622 9.880) 25.605 1.854 ( 0.000 2.611 16.435) 16.641 1.884 ( 0.000 2.775 0.262) 2.787 2.023 ( 0.000 -2.260 6.509) 6.890 2.275 ( 0.000 20.085 -1.958) 20.180 2.368 ( 0.000 12.603 12.158) 17.512 2.716 ( 0.000 -2.550 11.778) 12.051 3.095 ( 0.000 -5.423 -7.287) 9.083 3.138 ( 0.000 -0.206 5.561) 5.565 3.218 ( 0.000 -5.370 5.571) 7.737 3.297 ( 0.000 -4.961 10.636) 11.736 3.476 ( 0.000 -12.391 -11.601) 16.974 3.536 ( 0.000 -9.674 3.904) 10.432 3.869 ( 0.000 -0.202 31.284) 31.285 4.030 ( 0.000 2.456 -12.528) 12.766 4.168 ( 0.000 -5.054 54.192) 54.428 4.307 ( 0.000 -2.854 -2.070) 3.526 4.592 ( 0.000 -5.878 11.904) 13.276 4.613 ( 0.000 -0.071 7.903) 7.903 4.680 ( 0.000 2.728 11.093) 11.423 4.705 ( 0.000 -0.680 4.872) 4.920 4.788 ( 0.000 -10.951 -6.662) 12.818 4.874 ( 0.000 -12.917 -9.972) 16.318 5.028 ( 0.000 -3.514 9.716) 10.332 5.375 ( 0.000 9.353 -4.716) 10.475 5.623 ( 0.000 -8.082 -0.302) 8.087 5.719 ( 0.000 3.707 -6.296) 7.306 5.979 ( 0.000 1.277 2.324) 2.652 6.041 ( 0.000 -1.010 -9.743) 9.795 6.172 ( 0.000 -5.145 -4.646) 6.932 6.367 ( 0.000 -6.534 13.979) 15.430 6.933 ( 0.000 3.618 -9.875) 10.517 6.974 ( 0.000 8.027 -19.223) 20.832 7.180 ( 0.000 5.217 -20.429) 21.085 7.183 ( 0.000 -1.589 -12.792) 12.891 7.524 ( 0.000 7.152 -15.702) 17.254 8.172 ( 0.000 -19.123 -9.876) 21.523 9.545 ( 0.000 9.835 28.259) 29.921 9.564 ( 0.000 12.777 23.247) 26.527 9.718 ( 0.000 8.497 13.280) 15.766 10.141 ( 0.000 -1.855 18.098) 18.193 10.809 ( 0.000 0.082 -49.081) 49.081 10.940 ( 0.000 -1.200 -44.073) 44.089 11.782 ( 0.000 1.792 7.631) 7.839 11.859 ( 0.000 1.273 6.498) 6.621 12.331 ( 0.000 0.765 -0.903) 1.184 12.342 ( 0.000 0.355 -1.537) 1.577 13.534 ( 0.000 0.960 16.169) 16.197 13.631 ( 0.000 -0.979 6.397) 6.472 13.813 ( 0.000 5.326 20.577) 21.256 14.135 ( 0.000 -2.869 9.947) 10.352 14.403 ( 0.000 0.521 4.719) 4.748 14.581 ( 0.000 4.705 -5.180) 6.998 14.847 ( 0.000 13.847 -9.472) 16.777 14.956 ( 0.000 1.911 2.044) 2.798 15.263 ( 0.000 -13.655 -11.299) 17.724 16.284 ( 0.000 0.709 -9.067) 9.095 16.289 ( 0.000 -17.864 -0.467) 17.870 16.638 ( 0.000 -6.866 -5.516) 8.807 ======================= Grid point 101 (38/75) ======================= q-point: ( 0.20 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 0.337 16.542 10.243) 19.460 1.620 ( 5.057 10.199 14.562) 18.484 1.851 ( -0.644 2.802 9.330) 9.763 1.902 ( 1.094 1.222 5.110) 5.366 1.997 ( -2.364 -1.694 6.699) 7.303 2.181 ( -9.583 13.332 3.013) 16.693 2.519 ( 10.094 8.618 8.259) 15.632 2.675 ( 4.069 9.182 10.148) 14.278 3.031 ( -9.693 -3.540 6.827) 12.373 3.161 ( 3.051 -9.434 -3.068) 10.379 3.282 ( 5.566 -0.870 -0.303) 5.641 3.347 ( 7.658 -5.662 0.361) 9.531 3.487 ( 1.565 -11.462 -5.461) 12.793 3.658 ( 7.937 -6.569 5.105) 11.498 3.863 ( -0.720 0.734 30.092) 30.110 3.998 ( -3.340 2.803 -12.157) 12.915 4.123 ( -3.969 -4.109 48.917) 49.250 4.315 ( 0.471 -2.552 -0.064) 2.596 4.444 ( -15.536 -0.252 6.867) 16.988 4.554 ( -5.152 -2.298 9.594) 11.130 4.617 ( -0.720 -6.775 8.664) 11.023 4.697 ( 1.305 1.129 8.813) 8.980 4.806 ( -2.114 -9.382 -1.179) 9.689 4.923 ( 1.518 -5.295 -1.188) 5.635 5.000 ( -1.113 -2.464 3.512) 4.432 5.204 ( -10.612 8.763 0.140) 13.763 5.613 ( 2.240 -2.605 0.037) 3.436 5.914 ( -6.701 2.417 -6.508) 9.648 5.964 ( 15.601 -2.229 -11.789) 19.681 6.011 ( 1.873 1.486 6.323) 6.759 6.232 ( -0.037 -8.087 1.678) 8.260 6.432 ( 5.446 -7.283 -0.750) 9.125 6.917 ( 0.458 3.122 -11.902) 12.313 7.043 ( 4.787 6.677 -16.722) 18.631 7.132 ( -1.216 1.382 -16.201) 16.306 7.223 ( -0.810 1.583 -16.895) 16.988 7.528 ( 2.830 4.651 -13.050) 14.140 8.116 ( -5.969 -17.790 -10.170) 21.343 9.556 ( 1.040 9.575 27.053) 28.716 9.578 ( 1.145 11.669 24.198) 26.889 9.736 ( 2.206 8.050 13.940) 16.248 10.087 ( -5.309 -0.425 17.283) 18.085 10.823 ( 1.376 -0.309 -48.322) 48.343 10.928 ( -1.169 -1.223 -44.480) 44.512 11.785 ( 0.384 1.604 7.465) 7.645 11.845 ( -1.248 1.206 6.629) 6.853 12.331 ( 0.032 0.746 -0.983) 1.235 12.340 ( -0.155 0.370 -1.486) 1.539 13.531 ( 0.704 0.726 15.188) 15.222 13.715 ( 4.285 0.196 6.665) 7.926 13.770 ( -0.569 3.306 19.712) 19.995 14.160 ( 0.828 -1.887 11.960) 12.136 14.400 ( 0.419 0.420 3.972) 4.016 14.592 ( 0.725 4.104 -5.063) 6.558 14.787 ( -7.485 9.736 -11.563) 16.867 14.846 ( -4.738 2.624 2.455) 5.946 15.440 ( 13.522 -10.415 -8.315) 18.985 16.152 ( -8.692 -12.075 -2.327) 15.059 16.376 ( 4.126 -4.206 -7.563) 9.587 16.605 ( -3.076 -5.157 -6.237) 8.658 ======================= Grid point 102 (39/75) ======================= q-point: ( 0.40 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( 10.252 8.428 9.291) 16.200 1.665 ( -2.174 2.584 14.041) 14.442 1.831 ( -0.902 5.710 9.429) 11.060 1.873 ( -5.370 6.201 6.700) 10.592 1.959 ( -0.010 -0.012 7.224) 7.224 2.001 ( -5.230 2.394 8.894) 10.592 2.615 ( 5.730 3.100 9.558) 11.567 2.776 ( -9.540 4.454 9.991) 14.515 3.033 ( 18.324 3.561 0.018) 18.666 3.224 ( 0.610 -9.981 -5.192) 11.267 3.363 ( 1.988 -7.525 -7.176) 10.587 3.455 ( -2.721 -6.199 -1.899) 7.031 3.532 ( 7.815 1.222 -1.035) 7.977 3.713 ( -5.686 -2.774 1.440) 6.488 3.871 ( 3.650 3.795 26.040) 26.567 3.933 ( -2.212 5.005 -3.659) 6.583 4.050 ( -1.674 -4.492 38.896) 39.191 4.153 ( -11.513 -2.034 7.279) 13.772 4.355 ( 3.373 -0.308 11.926) 12.398 4.448 ( -5.615 -1.631 12.508) 13.807 4.639 ( 3.002 -4.941 7.702) 9.630 4.722 ( -4.442 -2.328 9.182) 10.462 4.747 ( 2.921 -1.845 -0.725) 3.530 4.842 ( -6.305 3.171 -0.696) 7.092 5.039 ( 2.971 -5.240 2.145) 6.394 5.089 ( -2.777 -1.417 4.179) 5.214 5.680 ( 4.535 1.881 -0.589) 4.945 5.785 ( -6.315 3.814 -2.766) 7.879 6.071 ( 4.460 -1.006 4.185) 6.198 6.155 ( -2.705 -5.025 2.127) 6.090 6.274 ( 11.273 -4.368 -9.063) 15.109 6.447 ( -4.825 -6.304 -10.319) 13.019 6.966 ( 4.535 0.398 -11.817) 12.663 7.074 ( -5.210 -2.170 -13.591) 14.716 7.134 ( 2.987 5.769 -16.958) 18.160 7.176 ( -1.716 5.204 -17.430) 18.271 7.688 ( 12.702 -4.610 -10.748) 17.266 7.941 ( -12.041 -13.085 -10.518) 20.660 9.578 ( 1.040 8.953 25.841) 27.368 9.590 ( -0.091 9.712 25.109) 26.922 9.816 ( 6.197 6.417 15.111) 17.548 9.956 ( -7.734 3.004 15.987) 18.012 10.857 ( 2.084 -0.927 -46.872) 46.928 10.897 ( -1.953 -1.209 -45.509) 45.567 11.797 ( 0.872 1.263 7.125) 7.288 11.819 ( -1.340 1.121 6.845) 7.065 12.333 ( 0.162 0.632 -1.162) 1.333 12.336 ( -0.216 0.468 -1.348) 1.443 13.570 ( 3.213 1.444 15.090) 15.495 13.650 ( -4.906 2.586 15.143) 16.127 13.927 ( 10.349 -0.731 10.985) 15.110 14.103 ( -6.938 -1.106 12.601) 14.427 14.450 ( 4.639 0.513 0.920) 4.757 14.555 ( -5.419 1.222 -3.872) 6.771 14.706 ( 1.246 6.692 -5.041) 8.470 14.768 ( -4.042 6.744 -2.409) 8.224 15.707 ( 13.709 -10.582 -5.523) 18.177 15.954 ( -11.840 -12.119 -2.872) 17.184 16.454 ( 4.100 -2.107 -8.442) 9.618 16.533 ( -4.130 -2.744 -7.611) 9.084 ======================= Grid point 105 (40/75) ======================= q-point: ( 0.00 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( 0.000 5.824 12.042) 13.376 1.813 ( 0.000 0.219 10.568) 10.570 1.901 ( 0.000 2.192 11.599) 11.804 1.926 ( 0.000 2.117 -0.118) 2.120 2.140 ( 0.000 17.636 9.109) 19.850 2.555 ( 0.000 6.932 5.982) 9.156 2.646 ( 0.000 10.636 -2.069) 10.835 2.722 ( 0.000 -0.388 0.056) 0.392 2.978 ( 0.000 -13.667 9.886) 16.868 3.099 ( 0.000 3.564 -7.705) 8.490 3.187 ( 0.000 -7.835 -5.891) 9.803 3.204 ( 0.000 1.900 2.253) 2.947 3.367 ( 0.000 -6.370 2.480) 6.836 3.441 ( 0.000 19.843 9.915) 22.182 3.884 ( 0.000 0.418 37.165) 37.167 3.987 ( 0.000 -6.404 36.404) 36.963 4.129 ( 0.000 -15.533 -2.395) 15.716 4.168 ( 0.000 5.830 -7.417) 9.434 4.432 ( 0.000 -13.900 6.388) 15.298 4.508 ( 0.000 -2.040 17.741) 17.858 4.522 ( 0.000 -10.663 -1.177) 10.728 4.609 ( 0.000 -9.521 -6.377) 11.459 4.799 ( 0.000 5.528 7.767) 9.534 4.831 ( 0.000 8.984 6.190) 10.910 4.976 ( 0.000 -2.558 6.500) 6.985 5.375 ( 0.000 -14.772 0.133) 14.772 5.578 ( 0.000 9.494 -4.680) 10.585 5.810 ( 0.000 4.690 -5.436) 7.180 5.919 ( 0.000 -6.104 -9.764) 11.515 6.049 ( 0.000 -6.191 -5.470) 8.261 6.065 ( 0.000 3.436 4.185) 5.415 6.249 ( 0.000 -5.036 9.391) 10.656 7.024 ( 0.000 4.663 -8.949) 10.091 7.107 ( 0.000 3.253 -15.607) 15.942 7.181 ( 0.000 2.045 -14.486) 14.630 7.252 ( 0.000 1.553 -19.636) 19.697 7.629 ( 0.000 3.392 -15.196) 15.570 7.857 ( 0.000 -11.026 -11.589) 15.997 9.742 ( 0.000 8.156 26.444) 27.673 9.780 ( 0.000 7.188 24.215) 25.259 9.868 ( 0.000 6.234 17.321) 18.409 10.075 ( 0.000 -4.175 19.114) 19.565 10.818 ( 0.000 0.926 -49.588) 49.596 10.902 ( 0.000 -2.334 -45.853) 45.913 11.818 ( 0.000 1.688 8.208) 8.379 11.868 ( 0.000 -0.317 7.886) 7.892 12.344 ( 0.000 0.491 -0.926) 1.048 12.348 ( 0.000 0.238 -1.358) 1.379 13.556 ( 0.000 1.193 14.859) 14.907 13.610 ( 0.000 -1.161 9.631) 9.700 13.941 ( 0.000 6.303 19.362) 20.362 14.088 ( 0.000 -1.770 14.738) 14.843 14.434 ( 0.000 3.106 4.793) 5.711 14.654 ( 0.000 0.685 -4.366) 4.419 14.919 ( 0.000 -0.914 5.988) 6.057 14.987 ( 0.000 -10.891 -2.135) 11.098 15.221 ( 0.000 17.064 -18.832) 25.413 15.922 ( 0.000 -17.031 -8.654) 19.104 16.318 ( 0.000 2.634 -10.349) 10.679 16.509 ( 0.000 -5.919 -9.005) 10.776 ======================= Grid point 106 (41/75) ======================= q-point: ( 0.20 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( -0.685 6.136 11.952) 13.453 1.779 ( -2.872 0.834 12.460) 12.814 1.905 ( 0.210 0.835 8.598) 8.641 1.930 ( 0.102 1.851 0.439) 1.905 2.074 ( -3.915 13.654 10.672) 17.767 2.388 ( -12.602 7.946 6.683) 16.329 2.744 ( 7.324 8.842 2.694) 11.793 2.827 ( 3.470 3.313 -1.701) 5.090 2.896 ( -1.471 -10.001 1.622) 10.238 3.132 ( 2.524 -10.341 -4.158) 11.428 3.168 ( -7.421 7.178 5.049) 11.493 3.235 ( 4.069 -6.823 -0.189) 7.946 3.402 ( 12.293 6.246 -1.755) 13.900 3.603 ( 7.731 4.702 5.259) 10.466 3.892 ( 1.068 0.907 36.744) 36.771 3.959 ( -2.449 -5.915 31.734) 32.374 4.121 ( -1.754 -9.857 -7.057) 12.249 4.154 ( -1.058 1.630 -2.140) 2.891 4.372 ( -4.390 -11.807 6.955) 14.389 4.404 ( -7.390 -3.848 5.502) 9.985 4.540 ( 0.736 -2.467 14.885) 15.106 4.616 ( -0.159 -5.674 0.854) 5.740 4.827 ( 1.611 1.424 2.867) 3.584 4.863 ( 3.669 7.405 7.191) 10.955 4.962 ( -1.257 -1.971 5.213) 5.713 5.388 ( -5.700 -0.068 3.319) 6.596 5.498 ( 1.842 -1.013 -6.445) 6.779 5.873 ( -3.938 -6.153 -8.072) 10.887 5.932 ( 8.339 0.325 -7.856) 11.461 6.053 ( 0.064 1.009 0.210) 1.033 6.090 ( 2.592 -3.473 0.351) 4.348 6.274 ( 1.639 -6.868 4.625) 8.441 6.993 ( -1.690 3.893 -10.206) 11.053 7.104 ( -2.360 -0.723 -11.400) 11.664 7.191 ( 2.584 4.840 -17.753) 18.582 7.277 ( 1.129 1.890 -18.641) 18.771 7.611 ( -0.687 3.313 -13.256) 13.681 7.828 ( -3.018 -9.926 -11.258) 15.309 9.731 ( -0.675 6.430 25.105) 25.924 9.782 ( -0.574 6.838 25.334) 26.247 9.884 ( 1.996 6.367 17.521) 18.748 10.058 ( -1.739 -2.065 18.882) 19.074 10.822 ( 0.491 0.423 -49.541) 49.545 10.891 ( -1.046 -2.197 -46.398) 46.461 11.817 ( -0.087 1.388 8.035) 8.154 11.856 ( -1.098 -0.106 7.791) 7.869 12.343 ( -0.049 0.405 -1.077) 1.152 12.348 ( -0.069 0.336 -1.243) 1.290 13.548 ( 1.063 0.798 13.327) 13.393 13.709 ( 7.426 -0.471 9.288) 11.901 13.857 ( -5.500 3.993 18.366) 19.583 14.148 ( 2.721 0.644 17.428) 17.650 14.414 ( -1.280 1.580 4.922) 5.326 14.630 ( -3.420 -2.219 -3.364) 5.285 14.818 ( -3.934 0.460 -2.044) 4.458 14.983 ( -2.803 1.882 7.256) 8.003 15.352 ( 10.736 5.109 -19.294) 22.664 15.871 ( -5.014 -13.787 -10.452) 18.013 16.349 ( 2.845 0.825 -10.061) 10.488 16.497 ( -1.236 -5.215 -9.157) 10.611 ======================= Grid point 107 (42/75) ======================= q-point: ( 0.40 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( 2.636 3.954 12.289) 13.175 1.711 ( -4.188 1.041 13.102) 13.794 1.908 ( 0.227 0.014 5.540) 5.545 1.919 ( -0.963 0.220 2.663) 2.841 2.060 ( 2.741 11.939 10.577) 16.184 2.173 ( -8.957 10.754 8.960) 16.618 2.774 ( 0.463 7.413 8.461) 11.259 2.821 ( -3.447 -2.094 5.054) 6.466 2.968 ( 5.125 -8.070 -5.070) 10.821 3.054 ( -4.156 -2.549 -3.275) 5.873 3.250 ( 7.589 -2.402 -1.241) 8.056 3.316 ( 1.745 -7.718 1.000) 7.976 3.599 ( 7.041 5.495 -2.531) 9.283 3.675 ( -0.596 1.576 2.158) 2.738 3.918 ( 0.899 -2.229 29.839) 29.935 3.939 ( 0.803 -5.237 25.943) 26.478 4.064 ( -1.579 4.440 -5.205) 7.021 4.115 ( -3.823 0.147 -1.479) 4.102 4.299 ( -1.944 -3.247 13.522) 14.041 4.310 ( -2.350 -8.689 10.362) 13.725 4.562 ( 1.597 -1.667 12.931) 13.135 4.596 ( -1.743 -4.003 7.113) 8.346 4.861 ( 2.096 -0.064 1.172) 2.403 4.901 ( -1.653 -0.334 5.986) 6.219 5.000 ( 7.432 7.484 4.035) 11.292 5.190 ( -11.386 11.476 2.974) 16.437 5.632 ( 8.175 -7.709 -5.274) 12.413 5.771 ( -6.286 -5.884 -5.487) 10.210 6.055 ( 2.549 -3.154 -8.252) 9.194 6.062 ( 0.762 -1.232 -0.452) 1.517 6.162 ( 5.863 -3.899 0.435) 7.054 6.266 ( -3.297 -8.310 -0.668) 8.965 6.987 ( 1.264 1.554 -10.167) 10.362 7.039 ( -3.714 -0.943 -10.628) 11.298 7.244 ( 2.321 4.343 -17.506) 18.186 7.275 ( -1.016 3.636 -17.992) 18.383 7.644 ( 4.203 -0.423 -10.924) 11.712 7.745 ( -5.373 -6.171 -10.691) 13.463 9.728 ( 0.604 4.852 24.651) 25.131 9.754 ( -1.838 4.985 24.974) 25.533 9.943 ( 3.689 5.690 18.309) 19.524 10.011 ( -3.130 2.365 18.541) 18.951 10.838 ( 1.196 -0.712 -48.988) 49.008 10.866 ( -1.525 -1.698 -47.708) 47.763 11.819 ( 0.397 0.804 7.739) 7.791 11.833 ( -1.084 0.303 7.652) 7.735 12.343 ( 0.070 0.359 -1.179) 1.234 12.346 ( -0.141 0.372 -1.189) 1.254 13.603 ( 4.417 1.556 12.700) 13.536 13.706 ( -5.808 2.400 11.541) 13.141 13.923 ( 10.102 0.189 15.132) 18.195 14.104 ( -7.355 1.069 15.780) 17.442 14.436 ( 3.831 -1.259 5.239) 6.611 14.531 ( -5.611 -2.948 1.116) 6.436 14.821 ( 3.045 4.394 0.327) 5.356 14.902 ( -4.846 4.600 5.170) 8.448 15.563 ( 10.519 -2.539 -17.222) 20.340 15.743 ( -8.148 -8.169 -14.011) 18.150 16.409 ( 3.125 -1.585 -9.760) 10.370 16.462 ( -2.338 -3.560 -9.476) 10.389 ======================= Grid point 110 (43/75) ======================= q-point: ( 0.00 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( 0.000 -4.665 12.637) 13.471 1.741 ( 0.000 4.665 12.637) 13.471 1.933 ( 0.000 -0.779 4.208) 4.280 1.933 ( 0.000 0.779 4.208) 4.280 2.537 ( 0.000 -14.904 7.207) 16.555 2.537 ( 0.000 14.904 7.207) 16.555 2.749 ( 0.000 -3.351 3.098) 4.563 2.749 ( 0.000 3.351 3.098) 4.563 2.816 ( 0.000 -14.029 -2.080) 14.182 2.816 ( 0.000 14.029 -2.080) 14.182 3.256 ( 0.000 -3.332 3.477) 4.816 3.256 ( 0.000 3.332 3.477) 4.816 3.592 ( 0.000 -25.224 -9.849) 27.079 3.592 ( 0.000 25.224 -9.849) 27.079 3.847 ( 0.000 -11.053 24.121) 26.533 3.847 ( 0.000 11.053 24.121) 26.533 4.071 ( 0.000 -14.096 21.560) 25.759 4.071 ( 0.000 14.096 21.560) 25.759 4.333 ( 0.000 -7.844 -7.170) 10.627 4.333 ( 0.000 7.844 -7.170) 10.627 4.501 ( 0.000 -1.387 10.545) 10.636 4.501 ( 0.000 1.387 10.545) 10.636 4.903 ( 0.000 -4.108 7.873) 8.880 4.903 ( 0.000 4.108 7.873) 8.880 5.070 ( 0.000 -13.450 1.853) 13.577 5.070 ( 0.000 13.450 1.853) 13.577 5.759 ( 0.000 -7.933 -7.592) 10.981 5.759 ( 0.000 7.933 -7.592) 10.981 5.926 ( 0.000 -5.337 -5.765) 7.856 5.926 ( 0.000 5.337 -5.765) 7.856 6.150 ( 0.000 -4.494 6.628) 8.008 6.150 ( 0.000 4.494 6.628) 8.008 7.103 ( 0.000 -2.343 -9.293) 9.584 7.103 ( 0.000 2.343 -9.293) 9.584 7.243 ( 0.000 -2.159 -19.107) 19.228 7.243 ( 0.000 2.159 -19.107) 19.228 7.701 ( 0.000 -4.592 -13.749) 14.496 7.701 ( 0.000 4.592 -13.749) 14.496 9.846 ( 0.000 -0.856 25.634) 25.648 9.846 ( 0.000 0.856 25.634) 25.648 9.980 ( 0.000 -4.750 18.844) 19.433 9.980 ( 0.000 4.750 18.844) 19.433 10.851 ( 0.000 -2.244 -48.376) 48.428 10.851 ( 0.000 2.244 -48.376) 48.428 11.850 ( 0.000 -1.283 8.390) 8.488 11.850 ( 0.000 1.283 8.390) 8.488 12.350 ( 0.000 -0.061 -1.131) 1.133 12.350 ( 0.000 0.061 -1.131) 1.133 13.583 ( 0.000 -0.774 12.636) 12.659 13.583 ( 0.000 0.774 12.636) 12.659 14.043 ( 0.000 -2.109 17.715) 17.840 14.043 ( 0.000 2.109 17.715) 17.840 14.554 ( 0.000 -7.919 0.792) 7.959 14.554 ( 0.000 7.919 0.792) 7.959 14.895 ( 0.000 -0.108 2.293) 2.295 14.895 ( 0.000 0.108 2.293) 2.295 15.574 ( 0.000 -16.683 -15.599) 22.840 15.574 ( 0.000 16.683 -15.599) 22.840 16.395 ( 0.000 -4.778 -10.514) 11.548 16.395 ( 0.000 4.778 -10.514) 11.548 ======================= Grid point 112 (44/75) ======================= q-point: ( 0.20 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( -2.007 0.000 13.591) 13.738 1.734 ( -1.066 -0.000 12.233) 12.280 1.920 ( -0.510 -0.000 3.701) 3.736 1.941 ( -0.510 0.000 4.126) 4.158 2.323 ( -8.733 0.000 8.751) 12.363 2.510 ( -10.854 0.000 8.955) 14.071 2.674 ( 1.190 -0.000 -1.809) 2.165 2.769 ( -1.169 0.000 0.380) 1.229 2.945 ( 10.601 -0.000 1.097) 10.658 2.996 ( 10.063 0.000 1.845) 10.231 3.180 ( -4.858 0.000 2.067) 5.279 3.212 ( -4.103 0.000 2.415) 4.761 3.642 ( 5.427 -0.000 -4.914) 7.322 3.696 ( 6.982 0.000 -10.485) 12.598 3.820 ( -1.856 0.000 18.354) 18.447 3.825 ( -2.047 -0.000 21.022) 21.121 4.055 ( 0.259 0.000 22.600) 22.602 4.111 ( 2.578 -0.000 19.977) 20.143 4.285 ( -3.965 -0.000 -4.493) 5.993 4.319 ( -2.054 0.000 -3.189) 3.793 4.499 ( 1.071 -0.000 8.085) 8.156 4.564 ( 3.228 0.000 15.560) 15.892 4.846 ( -2.738 0.000 3.027) 4.081 4.914 ( -1.108 -0.000 10.626) 10.683 5.115 ( 5.479 0.000 0.201) 5.483 5.141 ( 6.546 -0.000 2.678) 7.072 5.686 ( -7.038 -0.000 -5.791) 9.114 5.687 ( -5.044 0.000 -6.945) 8.584 5.955 ( 3.693 -0.000 -7.295) 8.177 6.011 ( 4.409 0.000 -10.012) 10.939 6.126 ( -0.849 0.000 9.190) 9.229 6.175 ( 0.880 0.000 5.408) 5.479 7.052 ( -2.882 0.000 -10.053) 10.458 7.082 ( -3.101 -0.000 -9.233) 9.740 7.254 ( 2.214 0.000 -18.612) 18.743 7.287 ( 2.169 0.000 -18.403) 18.530 7.685 ( -1.448 0.000 -12.550) 12.634 7.685 ( -1.363 -0.000 -12.693) 12.766 9.803 ( -2.112 0.000 24.421) 24.512 9.846 ( -2.046 0.000 25.314) 25.397 9.977 ( 1.707 -0.000 19.300) 19.375 10.017 ( 1.714 0.000 19.913) 19.986 10.846 ( -0.492 0.000 -48.763) 48.765 10.847 ( -0.473 -0.000 -48.982) 48.984 11.838 ( -0.719 -0.000 8.243) 8.275 11.848 ( -0.551 0.000 8.181) 8.199 12.347 ( -0.098 -0.000 -1.215) 1.218 12.352 ( -0.017 0.000 -1.073) 1.073 13.558 ( 1.282 0.000 12.182) 12.249 13.702 ( 7.818 0.000 11.255) 13.704 13.903 ( -6.697 0.000 16.929) 18.206 14.163 ( 4.099 0.000 20.173) 20.586 14.472 ( -6.229 0.000 1.800) 6.484 14.540 ( -2.183 -0.000 2.093) 3.024 14.838 ( -0.241 0.000 -0.350) 0.425 14.972 ( 1.518 0.000 9.571) 9.691 15.537 ( 0.069 -0.000 -22.249) 22.249 15.626 ( 1.652 0.000 -15.690) 15.777 16.394 ( 0.269 0.000 -10.659) 10.662 16.405 ( 0.472 -0.000 -10.010) 10.022 ======================= Grid point 114 (45/75) ======================= q-point: ( 0.40 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( -0.159 0.000 13.650) 13.651 1.707 ( -1.597 -0.000 13.050) 13.147 1.911 ( -0.368 -0.000 3.896) 3.913 1.917 ( -1.196 0.000 4.047) 4.220 2.247 ( 0.711 0.000 8.183) 8.214 2.329 ( -7.344 0.000 7.763) 10.686 2.693 ( 1.427 -0.000 1.766) 2.271 2.732 ( -2.351 0.000 2.915) 3.745 3.088 ( 2.416 -0.000 2.095) 3.198 3.108 ( -1.399 -0.000 2.150) 2.565 3.140 ( 3.631 0.000 1.267) 3.845 3.162 ( -0.063 0.000 1.407) 1.408 3.747 ( 4.428 -0.000 0.832) 4.506 3.786 ( -0.300 0.000 7.866) 7.871 3.797 ( -0.121 -0.000 8.860) 8.861 3.799 ( 1.142 0.000 -1.213) 1.665 4.085 ( 2.868 0.000 18.208) 18.433 4.144 ( -1.318 0.000 16.229) 16.282 4.224 ( -0.094 0.000 0.931) 0.935 4.265 ( -2.987 0.000 2.489) 3.888 4.528 ( 1.986 0.000 9.928) 10.124 4.573 ( -2.058 0.000 15.481) 15.618 4.829 ( 1.068 0.000 5.240) 5.348 4.871 ( -2.822 -0.000 10.282) 10.662 5.256 ( 7.701 -0.000 1.944) 7.943 5.288 ( 6.340 0.000 3.241) 7.120 5.549 ( -5.431 -0.000 -8.328) 9.942 5.577 ( -6.125 0.000 -8.861) 10.772 6.018 ( 2.559 0.000 -8.048) 8.445 6.051 ( -0.544 0.000 -10.658) 10.672 6.138 ( 2.186 0.000 8.472) 8.750 6.174 ( -1.088 0.000 5.033) 5.149 7.013 ( -0.890 0.000 -9.630) 9.671 7.025 ( -2.145 -0.000 -9.478) 9.717 7.296 ( 1.727 0.000 -17.999) 18.082 7.311 ( 0.211 0.000 -18.304) 18.306 7.661 ( -0.722 0.000 -10.828) 10.852 7.662 ( -0.784 -0.000 -11.006) 11.034 9.778 ( -0.237 0.000 23.936) 23.938 9.798 ( -2.197 0.000 24.075) 24.175 10.018 ( 1.885 0.000 20.567) 20.653 10.036 ( 0.078 0.000 20.547) 20.547 10.837 ( -0.280 0.000 -49.660) 49.660 10.838 ( -0.344 -0.000 -49.806) 49.807 11.829 ( -0.128 -0.000 7.958) 7.959 11.834 ( -0.626 0.000 7.911) 7.935 12.347 ( 0.079 0.000 -1.203) 1.206 12.350 ( -0.162 0.000 -1.119) 1.131 13.622 ( 4.998 0.000 11.346) 12.398 13.733 ( -5.802 0.000 9.616) 11.231 13.927 ( 10.032 0.000 17.200) 19.912 14.124 ( -8.476 0.000 17.121) 19.104 14.421 ( 2.017 0.000 6.306) 6.620 14.484 ( -3.462 0.000 5.593) 6.578 14.872 ( 3.302 0.000 3.714) 4.969 14.945 ( -3.562 0.000 9.985) 10.602 15.576 ( 3.163 0.000 -24.657) 24.859 15.627 ( -1.567 0.000 -20.455) 20.514 16.403 ( 0.511 0.000 -10.232) 10.245 16.409 ( -0.048 -0.000 -9.859) 9.860 ======================= Grid point 135 (46/75) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( 0.000 0.000 14.490) 14.490 1.314 ( 0.000 0.000 17.742) 17.742 1.678 ( 0.000 0.000 -3.859) 3.859 1.952 ( 0.000 0.000 8.664) 8.664 2.028 ( 0.000 0.000 2.999) 2.999 2.270 ( 0.000 0.000 9.966) 9.966 2.557 ( 0.000 0.000 15.646) 15.646 2.902 ( 0.000 0.000 -18.655) 18.655 3.143 ( 0.000 0.000 8.764) 8.764 3.185 ( 0.000 0.000 0.200) 0.200 3.299 ( 0.000 0.000 -20.445) 20.445 3.501 ( 0.000 0.000 7.789) 7.789 3.850 ( 0.000 0.000 14.415) 14.415 4.010 ( 0.000 0.000 7.596) 7.596 4.046 ( 0.000 0.000 9.802) 9.802 4.097 ( 0.000 0.000 -3.181) 3.181 4.251 ( 0.000 0.000 1.723) 1.723 4.390 ( 0.000 0.000 1.495) 1.495 4.578 ( 0.000 0.000 2.665) 2.665 4.678 ( 0.000 0.000 -6.430) 6.430 4.935 ( 0.000 0.000 -2.202) 2.202 4.983 ( 0.000 0.000 -8.363) 8.363 5.071 ( 0.000 0.000 -10.899) 10.899 5.106 ( 0.000 0.000 0.906) 0.906 5.245 ( 0.000 0.000 -1.804) 1.804 5.400 ( 0.000 0.000 -9.912) 9.912 5.688 ( 0.000 0.000 56.420) 56.420 5.756 ( 0.000 0.000 1.985) 1.985 6.147 ( 0.000 0.000 11.993) 11.993 6.199 ( 0.000 0.000 0.700) 0.700 6.306 ( 0.000 0.000 9.344) 9.344 6.627 ( 0.000 0.000 -9.870) 9.870 6.653 ( 0.000 0.000 -9.336) 9.336 6.708 ( 0.000 0.000 35.634) 35.634 6.815 ( 0.000 0.000 -16.851) 16.851 7.045 ( 0.000 0.000 23.738) 23.738 7.067 ( 0.000 0.000 -14.616) 14.616 8.578 ( 0.000 0.000 -20.585) 20.585 9.567 ( 0.000 0.000 15.214) 15.214 9.569 ( 0.000 0.000 13.004) 13.004 9.772 ( 0.000 0.000 -53.220) 53.220 9.881 ( 0.000 0.000 25.178) 25.178 9.987 ( 0.000 0.000 -49.074) 49.074 10.416 ( 0.000 0.000 8.606) 8.606 11.884 ( 0.000 0.000 7.981) 7.981 11.904 ( 0.000 0.000 6.060) 6.060 12.261 ( 0.000 0.000 -3.488) 3.488 12.282 ( 0.000 0.000 -3.456) 3.456 13.695 ( 0.000 0.000 0.562) 0.562 13.805 ( 0.000 0.000 12.412) 12.412 13.991 ( 0.000 0.000 4.845) 4.845 14.243 ( 0.000 0.000 -4.729) 4.729 14.252 ( 0.000 0.000 3.365) 3.365 14.350 ( 0.000 0.000 -6.018) 6.018 14.426 ( 0.000 0.000 -0.533) 0.533 15.138 ( 0.000 0.000 -23.420) 23.420 15.289 ( 0.000 0.000 18.273) 18.273 16.118 ( 0.000 0.000 -9.145) 9.145 16.677 ( 0.000 0.000 3.739) 3.739 16.985 ( 0.000 0.000 -5.330) 5.330 ======================= Grid point 136 (47/75) ======================= q-point: ( 0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( 22.683 0.000 9.383) 24.547 1.399 ( 8.350 0.000 15.695) 17.778 1.736 ( 4.397 0.000 -0.899) 4.488 1.963 ( 1.171 0.000 7.657) 7.746 2.024 ( -0.602 0.000 3.950) 3.996 2.225 ( -4.421 0.000 9.616) 10.584 2.672 ( 11.944 0.000 16.818) 20.628 2.878 ( -1.423 0.000 -12.768) 12.847 3.192 ( 0.691 0.000 -4.566) 4.618 3.198 ( 5.870 0.000 7.475) 9.504 3.240 ( -5.335 0.000 -14.684) 15.623 3.455 ( -5.535 0.000 4.638) 7.221 3.832 ( -0.151 0.000 9.750) 9.751 3.957 ( -10.261 0.000 6.783) 12.300 4.000 ( -1.234 0.000 2.744) 3.008 4.100 ( 1.808 0.000 -5.875) 6.147 4.173 ( -22.688 0.000 -0.023) 22.688 4.312 ( 3.127 0.000 5.201) 6.068 4.456 ( -4.703 0.000 4.422) 6.455 4.728 ( -6.971 0.000 -2.733) 7.488 4.807 ( 2.478 0.000 0.011) 2.478 4.974 ( -0.539 0.000 -7.080) 7.101 5.035 ( -3.933 0.000 0.479) 3.962 5.067 ( -1.162 0.000 -7.282) 7.374 5.363 ( 8.638 0.000 -0.004) 8.638 5.581 ( 7.993 0.000 2.614) 8.410 5.722 ( -3.149 0.000 2.530) 4.040 5.746 ( 7.583 0.000 37.422) 38.182 6.051 ( -6.982 0.000 22.256) 23.326 6.226 ( 8.035 0.000 13.297) 15.536 6.384 ( 1.866 0.000 3.935) 4.355 6.577 ( -2.026 0.000 2.942) 3.572 6.680 ( 2.540 0.000 -9.753) 10.079 6.755 ( 0.968 0.000 8.186) 8.243 6.797 ( -2.118 0.000 -14.541) 14.695 6.968 ( -7.598 0.000 21.523) 22.824 7.246 ( 17.965 0.000 -14.472) 23.069 8.454 ( -12.556 0.000 -19.696) 23.358 9.604 ( 3.338 0.000 3.354) 4.732 9.631 ( 5.893 0.000 16.031) 17.080 9.763 ( -0.930 0.000 -50.957) 50.966 9.877 ( -0.660 0.000 23.835) 23.844 10.016 ( 3.078 0.000 -40.395) 40.512 10.368 ( -4.854 0.000 7.048) 8.558 11.887 ( 0.325 0.000 7.816) 7.823 11.903 ( -0.059 0.000 6.261) 6.261 12.263 ( 0.197 0.000 -3.430) 3.436 12.281 ( -0.131 0.000 -3.462) 3.465 13.784 ( 8.895 0.000 -0.377) 8.903 13.803 ( 0.089 0.000 11.431) 11.431 13.953 ( -3.568 0.000 7.825) 8.600 14.236 ( 0.702 0.000 -5.219) 5.266 14.280 ( 1.235 0.000 1.054) 1.624 14.365 ( 1.340 0.000 -6.224) 6.366 14.404 ( -2.442 0.000 0.080) 2.443 14.814 ( -18.725 0.000 -8.735) 20.662 15.641 ( 22.005 0.000 3.246) 22.243 16.176 ( 5.844 0.000 -7.526) 9.529 16.628 ( -5.026 0.000 2.744) 5.726 16.843 ( -14.025 0.000 -2.820) 14.306 ======================= Grid point 137 (48/75) ======================= q-point: ( 0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( 10.971 0.000 11.272) 15.729 1.756 ( -3.920 0.000 5.461) 6.722 1.794 ( 17.570 0.000 4.321) 18.093 1.982 ( -2.035 0.000 0.461) 2.087 2.010 ( 1.336 0.000 11.001) 11.082 2.107 ( -7.491 0.000 11.080) 13.374 2.913 ( 6.286 0.000 -6.080) 8.745 3.026 ( 24.725 0.000 15.279) 29.065 3.088 ( -9.757 0.000 -9.126) 13.360 3.232 ( 2.981 0.000 -5.779) 6.502 3.321 ( -6.559 0.000 -1.818) 6.806 3.365 ( 8.985 0.000 9.013) 12.727 3.614 ( -25.208 0.000 1.768) 25.269 3.707 ( -18.410 0.000 -0.599) 18.420 3.870 ( 3.664 0.000 -0.317) 3.678 3.948 ( -3.902 0.000 -3.928) 5.537 4.186 ( 6.449 0.000 -0.572) 6.475 4.301 ( -4.230 0.000 3.628) 5.572 4.456 ( 3.653 0.000 7.834) 8.644 4.566 ( -7.378 0.000 6.850) 10.068 4.916 ( 5.885 0.000 -4.348) 7.317 4.972 ( 0.313 0.000 -3.649) 3.662 4.986 ( -1.341 0.000 -0.643) 1.487 5.014 ( -4.164 0.000 -4.057) 5.814 5.523 ( 7.498 0.000 1.986) 7.757 5.643 ( -5.122 0.000 2.922) 5.897 5.671 ( 4.279 0.000 24.474) 24.845 5.771 ( -5.359 0.000 19.458) 20.183 6.122 ( 11.361 0.000 24.724) 27.210 6.317 ( -7.892 0.000 17.959) 19.617 6.439 ( 13.408 0.000 15.916) 20.811 6.615 ( 4.996 0.000 -6.894) 8.514 6.692 ( -10.789 0.000 8.341) 13.638 6.715 ( -4.476 0.000 -7.009) 8.317 6.740 ( 3.417 0.000 -10.212) 10.769 6.816 ( -5.526 0.000 -1.595) 5.751 7.672 ( 24.354 0.000 -15.961) 29.119 8.121 ( -21.347 0.000 -17.930) 27.878 9.677 ( 3.700 0.000 -20.834) 21.160 9.734 ( -2.205 0.000 -41.715) 41.773 9.754 ( 6.069 0.000 18.188) 19.174 9.844 ( -3.129 0.000 21.049) 21.281 10.107 ( 6.345 0.000 -18.548) 19.603 10.245 ( -7.444 0.000 -0.265) 7.449 11.895 ( 0.391 0.000 7.366) 7.376 11.901 ( -0.226 0.000 6.771) 6.775 12.268 ( 0.394 0.000 -3.386) 3.409 12.276 ( -0.361 0.000 -3.423) 3.442 13.820 ( 1.854 0.000 10.302) 10.467 13.876 ( -3.889 0.000 9.793) 10.537 14.014 ( 14.298 0.000 -1.485) 14.375 14.263 ( 1.668 0.000 -4.616) 4.908 14.280 ( -11.118 0.000 -0.259) 11.121 14.287 ( -0.570 0.000 -1.618) 1.715 14.416 ( 3.303 0.000 -5.995) 6.845 14.524 ( -9.719 0.000 -8.490) 12.905 16.071 ( 22.619 0.000 2.632) 22.771 16.323 ( 8.913 0.000 -3.838) 9.704 16.495 ( -21.056 0.000 1.038) 21.082 16.495 ( -8.425 0.000 -0.004) 8.425 ======================= Grid point 140 (49/75) ======================= q-point: ( 0.00 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( 0.000 15.739 11.834) 19.692 1.430 ( 0.000 10.030 14.048) 17.261 1.737 ( 0.000 5.342 -3.523) 6.399 2.033 ( 0.000 7.760 7.632) 10.884 2.046 ( 0.000 1.547 2.687) 3.101 2.251 ( 0.000 -1.544 10.195) 10.311 2.549 ( 0.000 -0.259 15.034) 15.036 2.910 ( 0.000 0.359 -16.582) 16.585 3.035 ( 0.000 -8.533 5.075) 9.928 3.199 ( 0.000 0.351 2.565) 2.589 3.277 ( 0.000 -2.241 -19.485) 19.613 3.468 ( 0.000 -2.401 9.647) 9.941 3.783 ( 0.000 -6.698 16.482) 17.791 3.838 ( 0.000 -11.914 3.494) 12.416 3.963 ( 0.000 -15.697 -2.712) 15.930 4.058 ( 0.000 0.510 5.415) 5.439 4.139 ( 0.000 4.438 -2.037) 4.883 4.588 ( 0.000 11.092 4.664) 12.032 4.688 ( 0.000 0.747 -7.842) 7.877 4.758 ( 0.000 0.864 9.476) 9.515 4.878 ( 0.000 -0.708 -1.582) 1.733 4.880 ( 0.000 -9.417 -11.694) 15.014 4.902 ( 0.000 -10.698 -7.033) 12.802 5.039 ( 0.000 -1.075 -3.739) 3.891 5.360 ( 0.000 6.902 1.180) 7.002 5.465 ( 0.000 5.020 -7.843) 9.312 5.692 ( 0.000 0.314 52.090) 52.091 5.732 ( 0.000 -2.738 5.168) 5.848 6.148 ( 0.000 0.380 11.644) 11.651 6.166 ( 0.000 -3.296 1.325) 3.553 6.321 ( 0.000 -0.981 22.580) 22.601 6.642 ( 0.000 -1.194 14.365) 14.415 6.675 ( 0.000 2.144 -8.759) 9.018 6.693 ( 0.000 4.403 -8.917) 9.945 6.894 ( 0.000 2.176 -12.901) 13.083 6.955 ( 0.000 -6.815 21.101) 22.174 7.087 ( 0.000 3.993 -13.232) 13.821 8.332 ( 0.000 -19.407 -17.336) 26.023 9.666 ( 0.000 7.082 -3.691) 7.987 9.730 ( 0.000 11.275 6.016) 12.780 9.807 ( 0.000 5.274 -28.888) 29.365 9.807 ( 0.000 -3.667 -13.231) 13.730 10.107 ( 0.000 7.830 -11.899) 14.244 10.452 ( 0.000 2.570 9.717) 10.051 11.902 ( 0.000 1.610 7.944) 8.105 11.933 ( 0.000 2.530 5.951) 6.467 12.272 ( 0.000 0.988 -3.265) 3.411 12.286 ( 0.000 0.403 -3.329) 3.354 13.697 ( 0.000 0.301 1.489) 1.519 13.803 ( 0.000 -0.127 11.740) 11.740 14.037 ( 0.000 4.139 6.972) 8.108 14.229 ( 0.000 -1.120 0.040) 1.121 14.312 ( 0.000 6.516 -7.954) 10.283 14.396 ( 0.000 3.545 -3.158) 4.748 14.443 ( 0.000 1.559 -0.506) 1.640 15.099 ( 0.000 -3.693 -20.713) 21.039 15.262 ( 0.000 -2.479 17.475) 17.650 16.102 ( 0.000 -1.338 -9.817) 9.908 16.605 ( 0.000 -7.275 2.699) 7.760 16.822 ( 0.000 -14.038 -3.119) 14.380 ======================= Grid point 141 (50/75) ======================= q-point: ( 0.20 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 8.509 5.947 13.323) 16.889 1.599 ( 14.609 11.979 8.516) 20.723 1.775 ( 2.678 3.766 -0.518) 4.650 2.024 ( -0.540 3.147 3.223) 4.537 2.056 ( 0.357 5.424 7.690) 9.418 2.214 ( -3.493 -0.736 9.808) 10.437 2.663 ( 11.613 -0.376 14.797) 18.814 2.852 ( -3.495 -3.019 -6.076) 7.632 3.087 ( 3.339 -5.672 -5.467) 8.556 3.217 ( -4.247 -1.899 -9.200) 10.310 3.252 ( 4.977 1.413 -1.113) 5.292 3.394 ( -7.162 -4.903 4.659) 9.851 3.768 ( 0.813 -5.852 9.736) 11.389 3.838 ( -2.055 -7.289 -1.459) 7.712 3.914 ( -7.724 -12.731 -1.653) 14.982 4.073 ( -1.277 3.104 10.672) 11.187 4.143 ( 0.924 2.831 -4.923) 5.754 4.448 ( -8.507 3.695 0.958) 9.324 4.574 ( -8.506 6.612 3.658) 11.377 4.699 ( -10.222 -4.053 0.860) 11.029 4.811 ( 3.365 1.538 -5.157) 6.347 4.902 ( -0.221 -6.120 -4.524) 7.614 4.956 ( -3.742 -7.239 -0.482) 8.163 5.007 ( 3.826 -1.952 -5.238) 6.773 5.405 ( 4.559 3.821 4.825) 7.660 5.599 ( 6.387 1.357 1.323) 6.662 5.684 ( -1.791 -1.625 22.810) 22.938 5.778 ( 6.135 0.627 17.281) 18.349 6.042 ( -5.911 -1.351 21.134) 21.987 6.220 ( 7.407 -0.338 13.413) 15.326 6.379 ( 0.241 -2.334 14.418) 14.607 6.624 ( 0.411 3.898 0.916) 4.025 6.704 ( 2.453 2.339 -8.626) 9.269 6.750 ( 3.372 1.861 -4.902) 6.234 6.872 ( -5.576 0.412 3.571) 6.634 6.897 ( -3.959 -2.754 5.520) 7.330 7.208 ( 13.889 -1.467 -14.896) 20.419 8.237 ( -9.891 -17.570 -17.316) 26.577 9.688 ( 1.011 3.632 -18.473) 18.854 9.706 ( -0.616 5.549 -7.205) 9.115 9.816 ( 2.306 5.777 -19.249) 20.229 9.878 ( 4.447 3.548 8.281) 10.047 10.109 ( 0.456 6.905 -13.991) 15.609 10.402 ( -4.952 2.563 8.624) 10.270 11.905 ( 0.290 1.555 7.793) 7.952 11.929 ( -0.329 2.274 6.223) 6.634 12.273 ( 0.105 0.906 -3.220) 3.346 12.285 ( -0.115 0.406 -3.324) 3.351 13.758 ( 4.526 -1.296 3.997) 6.176 13.822 ( 3.242 0.885 7.891) 8.577 13.992 ( -3.389 3.376 8.465) 9.724 14.255 ( 1.813 0.738 -2.038) 2.825 14.322 ( 0.804 5.873 -6.687) 8.936 14.407 ( 1.069 3.248 -3.886) 5.177 14.424 ( -2.082 1.815 -0.024) 2.762 14.811 ( -16.936 -0.333 -8.125) 18.786 15.578 ( 20.164 -5.817 4.486) 21.461 16.152 ( 4.913 -2.232 -8.061) 9.701 16.555 ( -5.269 -7.616 1.950) 9.464 16.707 ( -11.075 -11.277 -2.054) 15.939 ======================= Grid point 142 (51/75) ======================= q-point: ( 0.40 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 11.878 1.073 10.411) 15.831 1.764 ( -5.007 1.429 4.483) 6.871 1.871 ( 11.032 5.072 5.719) 13.421 1.999 ( -3.110 1.060 2.426) 4.084 2.061 ( 1.423 4.798 10.852) 11.950 2.131 ( -4.835 2.360 10.220) 11.549 2.849 ( 5.079 -5.484 1.503) 7.624 2.945 ( 7.619 -5.042 5.988) 10.923 3.071 ( 0.539 -2.205 -6.195) 6.598 3.175 ( -0.215 -3.433 -4.095) 5.348 3.285 ( 1.483 -2.649 -4.011) 5.030 3.440 ( 13.236 3.674 2.232) 13.917 3.589 ( -22.049 -3.297 1.684) 22.358 3.715 ( -12.878 0.489 -0.418) 12.894 3.828 ( 4.784 -3.546 -1.456) 6.130 3.945 ( -7.808 0.609 -2.459) 8.208 4.238 ( 7.872 3.868 2.032) 9.004 4.384 ( -3.819 5.214 3.664) 7.430 4.441 ( -1.215 0.712 6.273) 6.430 4.531 ( -7.132 -2.789 5.091) 9.196 4.866 ( 1.747 -7.008 -4.310) 8.410 4.892 ( -1.197 -7.375 -3.331) 8.180 4.943 ( 2.859 -1.678 -1.380) 3.591 5.010 ( -2.753 -0.150 -2.871) 3.981 5.518 ( 6.336 0.457 9.288) 11.252 5.623 ( -4.392 -0.935 13.799) 14.511 5.685 ( 4.440 0.811 14.831) 15.502 5.785 ( -5.244 0.732 12.006) 13.121 6.107 ( 10.065 -1.836 24.193) 26.268 6.289 ( -7.667 -3.137 20.499) 22.109 6.427 ( 12.726 -1.171 15.156) 19.824 6.676 ( -6.376 -1.079 7.830) 10.155 6.688 ( -0.973 3.740 2.317) 4.506 6.755 ( 0.814 3.195 -9.583) 10.135 6.772 ( -0.251 3.806 -8.958) 9.736 6.820 ( -3.901 1.404 -10.330) 11.131 7.570 ( 21.422 -8.135 -15.554) 27.695 7.962 ( -18.272 -13.236 -16.724) 28.085 9.694 ( 0.577 1.451 -27.543) 27.587 9.706 ( -0.393 0.608 -30.927) 30.936 9.884 ( 3.924 8.276 5.597) 10.734 9.930 ( -0.031 6.982 17.741) 19.066 10.153 ( 4.845 4.144 -10.274) 12.092 10.279 ( -7.326 2.812 3.222) 8.483 11.912 ( 0.461 1.542 7.383) 7.557 11.921 ( -0.477 1.802 6.808) 7.059 12.276 ( 0.261 0.707 -3.207) 3.294 12.282 ( -0.265 0.498 -3.269) 3.318 13.811 ( 2.396 -0.825 9.338) 9.676 13.865 ( -2.561 -0.752 7.969) 8.404 14.042 ( 10.730 2.727 2.203) 11.289 14.241 ( -6.162 -0.014 -0.064) 6.162 14.336 ( 0.863 5.868 -5.933) 8.389 14.365 ( -2.725 4.506 -1.289) 5.421 14.445 ( 3.032 2.556 -5.871) 7.084 14.548 ( -9.141 2.203 -8.352) 12.576 15.967 ( 19.901 -9.346 4.196) 22.383 16.247 ( -0.329 -8.371 -0.499) 8.393 16.396 ( -7.716 -5.954 -1.793) 9.910 16.482 ( -9.594 -3.164 -2.901) 10.510 ======================= Grid point 145 (52/75) ======================= q-point: ( 0.00 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( 0.000 10.455 9.534) 14.149 1.685 ( 0.000 19.953 7.391) 21.278 1.869 ( 0.000 6.594 -0.392) 6.606 2.091 ( 0.000 2.787 4.866) 5.608 2.204 ( 0.000 1.094 9.876) 9.937 2.290 ( 0.000 13.259 3.962) 13.838 2.563 ( 0.000 1.428 8.148) 8.272 2.837 ( 0.000 -9.281 1.952) 9.484 2.902 ( 0.000 -0.799 -11.275) 11.303 3.192 ( 0.000 -6.230 -15.116) 16.349 3.213 ( 0.000 1.178 3.232) 3.439 3.443 ( 0.000 0.785 11.486) 11.512 3.581 ( 0.000 -11.856 15.383) 19.422 3.584 ( 0.000 -11.592 1.182) 11.652 3.756 ( 0.000 -3.474 -11.050) 11.583 4.047 ( 0.000 -2.410 1.173) 2.681 4.258 ( 0.000 5.435 -0.809) 5.495 4.521 ( 0.000 -13.224 3.604) 13.707 4.577 ( 0.000 -12.045 -11.506) 16.657 4.667 ( 0.000 -10.756 -9.811) 14.558 4.759 ( 0.000 -9.613 2.117) 9.844 4.786 ( 0.000 2.302 -5.456) 5.922 4.818 ( 0.000 7.532 9.343) 12.001 5.230 ( 0.000 12.184 -1.091) 12.233 5.494 ( 0.000 5.925 9.434) 11.140 5.568 ( 0.000 4.420 -6.505) 7.864 5.606 ( 0.000 -9.742 -0.051) 9.742 5.703 ( 0.000 0.267 49.395) 49.396 6.060 ( 0.000 -6.624 5.168) 8.401 6.177 ( 0.000 2.325 12.062) 12.284 6.189 ( 0.000 -10.178 38.943) 40.251 6.657 ( 0.000 -6.556 9.126) 11.237 6.716 ( 0.000 6.565 -4.024) 7.700 6.756 ( 0.000 4.093 -6.588) 7.756 6.910 ( 0.000 3.069 -1.009) 3.230 6.912 ( 0.000 1.210 -13.343) 13.398 7.209 ( 0.000 5.874 -14.317) 15.475 7.913 ( 0.000 -18.974 -15.173) 24.295 9.738 ( 0.000 1.096 -52.073) 52.085 9.759 ( 0.000 -1.082 -33.204) 33.221 9.973 ( 0.000 11.955 14.953) 19.145 10.017 ( 0.000 11.642 11.841) 16.606 10.262 ( 0.000 6.555 4.788) 8.117 10.484 ( 0.000 -0.043 12.438) 12.438 11.943 ( 0.000 2.202 7.961) 8.260 11.991 ( 0.000 2.560 6.360) 6.856 12.296 ( 0.000 1.161 -2.650) 2.893 12.297 ( 0.000 0.617 -2.989) 3.052 13.715 ( 0.000 1.486 3.684) 3.973 13.799 ( 0.000 -0.340 10.382) 10.388 14.143 ( 0.000 5.601 10.416) 11.826 14.234 ( 0.000 1.766 -0.527) 1.843 14.462 ( 0.000 3.633 -0.666) 3.693 14.477 ( 0.000 3.988 -2.870) 4.913 14.528 ( 0.000 10.170 -14.076) 17.365 14.992 ( 0.000 -6.330 -14.470) 15.794 15.197 ( 0.000 -3.242 16.004) 16.329 16.074 ( 0.000 -0.936 -11.428) 11.467 16.327 ( 0.000 -19.662 3.274) 19.932 16.534 ( 0.000 -11.473 -4.382) 12.281 ======================= Grid point 146 (53/75) ======================= q-point: ( 0.20 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( 0.418 13.233 10.093) 16.648 1.831 ( 7.062 9.400 4.054) 12.437 1.882 ( 1.210 6.287 4.346) 7.738 2.070 ( -1.675 2.234 4.865) 5.609 2.190 ( -1.638 1.251 10.063) 10.272 2.272 ( -2.344 11.198 5.997) 12.917 2.665 ( 8.197 0.042 6.755) 10.622 2.776 ( -0.152 -2.300 -1.079) 2.545 2.975 ( 3.531 -5.063 -8.572) 10.563 3.153 ( -2.455 -4.554 -9.870) 11.144 3.266 ( -2.118 -0.602 4.662) 5.156 3.302 ( -1.777 -2.213 2.432) 3.737 3.607 ( 3.593 -9.848 12.857) 16.589 3.686 ( 1.255 -7.463 -4.082) 8.598 3.733 ( -1.222 -2.055 -9.500) 9.796 4.095 ( 5.358 -2.718 4.609) 7.572 4.213 ( -7.743 1.714 -1.626) 8.096 4.449 ( -5.034 -0.779 -4.076) 6.524 4.483 ( -3.949 -10.044 3.072) 11.221 4.641 ( -1.396 -9.729 -3.674) 10.493 4.715 ( -2.553 -6.016 0.944) 6.603 4.797 ( 0.210 -0.394 -4.833) 4.854 4.912 ( 2.311 1.998 1.063) 3.235 5.110 ( -7.520 9.798 0.845) 12.380 5.500 ( 1.189 4.694 13.140) 14.004 5.601 ( 2.340 -3.426 -1.098) 4.292 5.665 ( 0.488 0.253 18.865) 18.873 5.747 ( 6.579 -3.046 14.657) 16.352 5.983 ( -3.790 -4.103 22.545) 23.227 6.218 ( 2.134 -4.523 22.527) 23.076 6.244 ( 3.961 -5.137 17.001) 18.197 6.654 ( -0.810 -6.641 10.302) 12.284 6.731 ( 1.633 3.372 -1.659) 4.098 6.798 ( 3.331 5.775 -7.895) 10.333 6.882 ( -1.302 2.402 -4.898) 5.609 6.921 ( -1.099 3.045 -11.954) 12.385 7.244 ( 5.133 3.791 -14.453) 15.799 7.854 ( -6.214 -17.271 -15.254) 23.866 9.734 ( -0.337 1.297 -48.371) 48.389 9.748 ( -0.802 0.388 -37.416) 37.427 10.004 ( 2.875 10.167 15.362) 18.645 10.041 ( 2.180 9.727 13.006) 16.386 10.256 ( -0.521 6.599 4.142) 7.809 10.440 ( -4.326 0.545 11.805) 12.584 11.944 ( 0.110 2.040 7.854) 8.115 11.982 ( -0.851 2.324 6.640) 7.086 12.295 ( -0.081 0.983 -2.714) 2.888 12.297 ( -0.071 0.733 -2.924) 3.015 13.744 ( 2.373 0.023 6.158) 6.600 13.835 ( 3.451 0.510 6.960) 7.785 14.076 ( -3.179 4.370 9.562) 10.983 14.300 ( 3.327 3.851 1.132) 5.213 14.458 ( -0.366 3.033 0.622) 3.117 14.482 ( 0.585 3.816 -3.616) 5.290 14.513 ( -1.369 9.558 -13.052) 16.235 14.805 ( -11.725 0.289 -7.824) 14.099 15.417 ( 15.437 -8.997 7.462) 19.363 16.084 ( -0.176 -5.256 -7.004) 8.758 16.283 ( -3.516 -15.960 0.152) 16.343 16.487 ( -4.504 -9.364 -5.090) 11.571 ======================= Grid point 147 (54/75) ======================= q-point: ( 0.40 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( 7.554 7.783 8.690) 13.898 1.827 ( -5.580 4.211 4.542) 8.336 1.965 ( 4.670 4.272 6.835) 9.315 2.033 ( -2.540 2.273 4.850) 5.928 2.165 ( 0.216 3.789 11.453) 12.066 2.206 ( -3.483 5.426 10.547) 12.362 2.758 ( 5.334 -1.335 3.182) 6.353 2.873 ( -1.692 -1.901 -5.396) 5.966 2.998 ( 3.537 -4.654 -3.047) 6.592 3.097 ( -5.390 -4.344 -1.575) 7.100 3.225 ( 9.940 -2.455 -4.578) 11.215 3.465 ( 0.956 -1.185 -5.915) 6.108 3.509 ( -2.349 -4.217 5.979) 7.685 3.681 ( -6.152 -3.275 -3.056) 7.610 3.766 ( 7.399 -1.468 -5.923) 9.591 3.967 ( -13.670 -0.830 -5.086) 14.609 4.242 ( 8.464 -3.028 9.503) 13.081 4.382 ( -5.833 -7.043 6.084) 10.984 4.486 ( 5.878 7.825 -0.015) 9.786 4.606 ( -3.556 -2.296 2.879) 5.119 4.681 ( -0.813 -7.534 -2.268) 7.910 4.720 ( -6.146 0.574 -5.150) 8.039 4.936 ( 3.211 0.339 -0.564) 3.277 5.016 ( -4.139 1.120 0.620) 4.332 5.550 ( 3.574 1.803 16.642) 17.117 5.611 ( -2.205 -1.065 12.908) 13.139 5.693 ( 3.902 0.029 13.745) 14.288 5.776 ( -3.702 -1.849 1.848) 4.532 6.028 ( 7.361 -5.930 24.922) 26.654 6.167 ( -5.973 -8.914 22.648) 25.061 6.393 ( 10.045 -1.727 14.744) 17.924 6.577 ( -7.748 -5.931 15.323) 18.166 6.773 ( 2.942 2.750 -5.096) 6.495 6.836 ( -2.409 1.894 -8.136) 8.694 6.866 ( 1.533 5.545 -9.271) 10.911 6.893 ( -0.878 5.995 -9.869) 11.580 7.427 ( 12.868 -4.197 -14.801) 20.057 7.677 ( -11.888 -12.183 -15.153) 22.790 9.730 ( 0.009 1.754 -43.755) 43.791 9.735 ( -0.533 1.545 -43.513) 43.543 10.062 ( 2.559 7.977 16.025) 18.083 10.080 ( 1.052 6.887 16.463) 17.877 10.261 ( 1.869 5.726 4.010) 7.236 10.338 ( -5.538 2.560 8.939) 10.823 11.949 ( 0.490 1.817 7.575) 7.806 11.963 ( -0.923 1.919 7.157) 7.467 12.294 ( 0.006 0.829 -2.799) 2.919 12.295 ( -0.080 0.798 -2.856) 2.966 13.796 ( 3.085 -0.310 7.966) 8.548 13.855 ( -2.303 -0.042 6.691) 7.077 14.116 ( 7.583 3.963 7.302) 11.248 14.276 ( -6.560 2.870 4.531) 8.473 14.461 ( 0.786 4.245 -0.302) 4.327 14.478 ( -1.031 5.657 -4.332) 7.199 14.525 ( 3.388 6.362 -10.625) 12.839 14.623 ( -6.970 5.933 -10.737) 14.109 15.718 ( 15.351 -13.770 6.158) 21.522 15.980 ( -10.986 -15.908 4.392) 19.825 16.280 ( 3.772 -5.184 -8.319) 10.503 16.382 ( -5.939 -6.038 -7.027) 11.005 ======================= Grid point 150 (55/75) ======================= q-point: ( 0.00 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( 0.000 5.983 8.520) 10.411 1.940 ( 0.000 2.690 2.102) 3.414 2.040 ( 0.000 7.351 11.175) 13.376 2.142 ( 0.000 1.180 10.162) 10.230 2.290 ( 0.000 11.209 4.333) 12.018 2.592 ( 0.000 1.326 -2.153) 2.529 2.614 ( 0.000 13.880 -0.402) 13.886 2.694 ( 0.000 -3.814 -1.105) 3.971 2.925 ( 0.000 1.676 -8.684) 8.844 3.051 ( 0.000 -1.838 -6.781) 7.026 3.189 ( 0.000 -8.830 6.163) 10.769 3.328 ( 0.000 -5.078 12.324) 13.329 3.401 ( 0.000 -5.808 0.911) 5.879 3.552 ( 0.000 5.377 -3.175) 6.244 3.768 ( 0.000 2.789 -15.887) 16.130 3.890 ( 0.000 -13.164 0.153) 13.164 4.231 ( 0.000 -3.563 -1.737) 3.964 4.293 ( 0.000 -7.196 3.397) 7.958 4.422 ( 0.000 -10.005 -6.317) 11.832 4.529 ( 0.000 -12.067 2.521) 12.328 4.565 ( 0.000 8.529 -3.646) 9.275 4.884 ( 0.000 6.385 -3.932) 7.499 4.905 ( 0.000 -0.168 8.556) 8.558 5.333 ( 0.000 -15.256 -0.037) 15.256 5.454 ( 0.000 9.574 1.158) 9.644 5.597 ( 0.000 3.485 9.417) 10.042 5.648 ( 0.000 3.544 -6.201) 7.142 5.694 ( 0.000 -1.304 27.884) 27.915 5.920 ( 0.000 -6.066 21.049) 21.905 5.954 ( 0.000 -10.744 44.557) 45.834 6.261 ( 0.000 5.157 12.933) 13.923 6.510 ( 0.000 -6.673 14.141) 15.636 6.850 ( 0.000 5.559 -7.438) 9.286 6.858 ( 0.000 4.912 -6.932) 8.495 6.951 ( 0.000 1.976 -9.225) 9.435 6.969 ( 0.000 1.555 -7.208) 7.374 7.306 ( 0.000 3.755 -15.912) 16.349 7.585 ( 0.000 -12.290 -14.901) 19.315 9.751 ( 0.000 0.347 -55.100) 55.101 9.751 ( 0.000 0.091 -45.704) 45.704 10.183 ( 0.000 8.243 15.636) 17.676 10.243 ( 0.000 9.233 16.824) 19.191 10.359 ( 0.000 2.202 13.401) 13.581 10.448 ( 0.000 -3.136 14.734) 15.064 11.987 ( 0.000 1.937 8.042) 8.272 12.026 ( 0.000 0.667 7.328) 7.358 12.310 ( 0.000 0.548 -2.544) 2.602 12.314 ( 0.000 0.529 -2.146) 2.210 13.751 ( 0.000 1.710 6.266) 6.495 13.790 ( 0.000 -0.473 9.142) 9.154 14.257 ( 0.000 5.023 10.779) 11.892 14.291 ( 0.000 3.001 3.815) 4.854 14.512 ( 0.000 2.168 2.207) 3.093 14.553 ( 0.000 2.922 -4.530) 5.391 14.750 ( 0.000 7.360 -20.759) 22.025 14.855 ( 0.000 -5.981 -9.281) 11.041 15.186 ( 0.000 4.983 14.222) 15.070 15.879 ( 0.000 -21.919 3.742) 22.236 16.080 ( 0.000 1.874 -12.734) 12.871 16.322 ( 0.000 -9.183 -8.919) 12.801 ======================= Grid point 151 (56/75) ======================= q-point: ( 0.20 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( -0.305 7.231 8.618) 11.254 1.943 ( -0.162 1.911 2.934) 3.505 2.041 ( 0.212 5.892 11.435) 12.866 2.106 ( -2.689 0.977 9.444) 9.868 2.265 ( -1.798 8.664 6.719) 11.110 2.489 ( -8.124 6.745 3.597) 11.155 2.696 ( 6.472 2.233 -6.128) 9.188 2.751 ( 3.404 -2.496 -4.723) 6.335 2.930 ( -0.538 4.336 -0.861) 4.454 3.038 ( 2.896 -3.780 -4.385) 6.474 3.236 ( -2.697 -5.070 2.250) 6.168 3.285 ( -0.743 -0.869 3.433) 3.619 3.420 ( 5.980 -3.675 4.912) 8.567 3.618 ( 2.782 0.015 -6.038) 6.648 3.742 ( -2.208 1.281 -14.703) 14.923 3.883 ( -1.525 -16.084 -2.872) 16.409 4.214 ( -0.328 0.853 2.425) 2.591 4.287 ( -1.353 -5.755 2.334) 6.355 4.408 ( -0.439 -9.508 -1.645) 9.660 4.500 ( -1.857 -7.771 2.037) 8.246 4.615 ( 4.389 8.056 -3.416) 9.789 4.883 ( 0.617 4.683 1.022) 4.833 4.931 ( 1.126 0.170 3.229) 3.423 5.332 ( -9.803 10.713 1.953) 14.652 5.390 ( 5.041 -14.261 -1.792) 15.231 5.587 ( -1.090 2.208 11.562) 11.821 5.683 ( 0.762 0.509 10.252) 10.292 5.696 ( 1.191 -1.720 3.401) 3.993 5.897 ( -1.010 -3.667 35.497) 35.700 5.969 ( 0.262 -11.855 32.044) 34.168 6.293 ( 3.369 4.154 14.175) 15.150 6.508 ( -0.566 -6.251 14.756) 16.035 6.821 ( -0.592 4.349 -5.439) 6.989 6.901 ( -0.232 2.591 -7.563) 7.998 6.933 ( 1.322 3.497 -7.831) 8.678 6.992 ( 0.894 2.391 -9.215) 9.562 7.319 ( 1.885 3.295 -14.990) 15.463 7.561 ( -2.530 -10.685 -14.762) 18.398 9.753 ( 0.258 0.623 -53.739) 53.744 9.755 ( 0.320 0.291 -48.460) 48.461 10.176 ( -0.435 6.480 16.419) 17.657 10.234 ( -1.020 7.417 17.498) 19.033 10.361 ( 0.172 3.038 13.246) 13.591 10.425 ( -2.051 -1.468 14.206) 14.428 11.984 ( -0.298 1.671 8.000) 8.178 12.014 ( -1.066 0.687 7.446) 7.553 12.308 ( -0.127 0.464 -2.518) 2.564 12.314 ( -0.076 0.617 -2.242) 2.326 13.752 ( 1.225 0.480 8.107) 8.213 13.848 ( 3.804 0.669 6.316) 7.403 14.161 ( -3.421 3.395 10.579) 11.625 14.399 ( 3.467 4.877 6.417) 8.774 14.501 ( -0.445 1.485 3.006) 3.382 14.555 ( 0.056 2.389 -4.363) 4.974 14.662 ( -3.969 3.045 -12.426) 13.395 14.891 ( -0.327 7.927 -18.915) 20.512 15.252 ( 7.061 -4.358 13.495) 15.842 15.802 ( -7.054 -19.098 3.257) 20.619 16.122 ( 3.420 -0.727 -11.863) 12.368 16.304 ( -1.838 -8.048 -9.435) 12.537 ======================= Grid point 152 (57/75) ======================= q-point: ( 0.40 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( 2.615 5.991 8.357) 10.610 1.908 ( -3.500 2.844 6.448) 7.868 2.052 ( 0.928 3.089 9.864) 10.378 2.071 ( -1.077 0.787 9.319) 9.413 2.256 ( 1.654 6.939 8.038) 10.746 2.338 ( -6.654 6.853 7.111) 11.908 2.775 ( 2.426 -3.290 -8.173) 9.138 2.805 ( 0.374 -6.071 -9.871) 11.595 2.940 ( 3.651 5.015 5.529) 8.310 3.056 ( -7.107 2.511 3.948) 8.509 3.207 ( 9.179 0.270 -3.157) 9.711 3.361 ( -2.417 -7.759 3.447) 8.828 3.476 ( 5.014 1.094 -8.078) 9.571 3.616 ( -5.563 -2.159 -4.947) 7.752 3.736 ( 4.052 -3.233 -10.805) 11.984 3.825 ( -4.106 -11.610 -8.850) 15.165 4.227 ( 1.218 1.246 6.431) 6.663 4.255 ( -1.627 -3.347 4.251) 5.650 4.420 ( 1.651 -7.940 1.246) 8.204 4.461 ( -2.246 -7.285 2.015) 7.885 4.738 ( 7.967 9.267 -1.434) 12.305 4.869 ( -4.252 3.511 2.377) 6.005 4.966 ( 4.872 4.832 1.772) 7.087 5.122 ( -10.719 10.800 1.131) 15.259 5.501 ( 5.141 -9.731 -1.064) 11.057 5.564 ( -1.642 -2.600 5.666) 6.447 5.685 ( 0.559 -1.851 18.648) 18.748 5.706 ( -0.836 -4.506 -2.912) 5.430 5.904 ( 1.746 -4.116 35.247) 35.530 5.948 ( -2.236 -9.404 28.185) 29.796 6.380 ( 5.207 0.733 15.937) 16.782 6.470 ( -3.588 -3.819 15.830) 16.675 6.828 ( 1.237 2.555 -4.567) 5.377 6.863 ( -2.296 1.234 -5.572) 6.152 6.977 ( 1.906 4.121 -8.866) 9.961 6.997 ( -0.307 3.555 -9.265) 9.929 7.388 ( 4.993 -0.323 -14.192) 15.048 7.489 ( -4.924 -6.151 -14.389) 16.405 9.759 ( 0.249 0.968 -53.374) 53.383 9.760 ( 0.131 0.818 -51.310) 51.316 10.178 ( 0.800 3.643 18.080) 18.461 10.205 ( -1.778 3.878 18.608) 19.091 10.367 ( 0.514 3.864 12.973) 13.546 10.386 ( -1.637 2.229 13.192) 13.479 11.981 ( 0.174 1.167 7.878) 7.966 11.992 ( -0.977 0.811 7.678) 7.783 12.307 ( 0.110 0.481 -2.494) 2.542 12.311 ( -0.229 0.575 -2.376) 2.456 13.800 ( 3.488 0.550 8.108) 8.843 13.865 ( -2.344 0.797 6.416) 6.877 14.187 ( 6.095 2.572 10.506) 12.415 14.334 ( -7.644 2.264 7.860) 11.195 14.521 ( 1.118 1.677 2.145) 2.944 14.540 ( -1.155 1.170 -0.528) 1.727 14.698 ( 6.285 9.179 -13.817) 17.739 14.825 ( -5.837 12.134 -16.370) 21.196 15.432 ( 10.677 -12.635 7.773) 18.277 15.635 ( -10.036 -16.364 4.456) 19.707 16.191 ( 3.582 -2.933 -11.437) 12.339 16.255 ( -3.050 -5.472 -10.557) 12.276 ======================= Grid point 155 (58/75) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( 0.000 -3.149 6.346) 7.085 1.924 ( 0.000 3.149 6.346) 7.085 2.122 ( 0.000 -2.567 13.488) 13.730 2.122 ( 0.000 2.567 13.488) 13.730 2.534 ( 0.000 -8.067 -7.163) 10.789 2.534 ( 0.000 8.067 -7.163) 10.789 2.738 ( 0.000 -5.293 -2.767) 5.973 2.738 ( 0.000 5.293 -2.767) 5.973 2.915 ( 0.000 -10.688 8.809) 13.850 2.915 ( 0.000 10.688 8.809) 13.850 3.321 ( 0.000 -1.123 -0.822) 1.392 3.321 ( 0.000 1.123 -0.822) 1.392 3.360 ( 0.000 -17.041 -6.858) 18.369 3.360 ( 0.000 17.041 -6.858) 18.369 3.796 ( 0.000 -1.209 -9.856) 9.930 3.796 ( 0.000 1.209 -9.856) 9.930 4.258 ( 0.000 -3.405 -0.802) 3.498 4.258 ( 0.000 3.405 -0.802) 3.498 4.292 ( 0.000 -8.489 4.731) 9.719 4.292 ( 0.000 8.489 4.731) 9.719 4.789 ( 0.000 -10.335 1.960) 10.519 4.789 ( 0.000 10.335 1.960) 10.519 5.052 ( 0.000 -10.372 -0.505) 10.384 5.052 ( 0.000 10.372 -0.505) 10.384 5.622 ( 0.000 -3.845 -4.861) 6.198 5.622 ( 0.000 3.845 -4.861) 6.198 5.669 ( 0.000 -0.480 3.243) 3.278 5.669 ( 0.000 0.480 3.243) 3.278 5.831 ( 0.000 -1.215 50.085) 50.100 5.831 ( 0.000 1.215 50.085) 50.100 6.379 ( 0.000 -6.021 14.027) 15.264 6.379 ( 0.000 6.021 14.027) 15.264 6.920 ( 0.000 -0.032 -7.610) 7.610 6.920 ( 0.000 0.032 -7.610) 7.610 6.974 ( 0.000 -0.155 -7.639) 7.640 6.974 ( 0.000 0.155 -7.639) 7.640 7.398 ( 0.000 -6.089 -15.733) 16.871 7.398 ( 0.000 6.089 -15.733) 16.871 9.754 ( 0.000 -0.023 -52.551) 52.551 9.754 ( 0.000 0.023 -52.551) 52.551 10.324 ( 0.000 -5.081 16.380) 17.150 10.324 ( 0.000 5.081 16.380) 17.150 10.379 ( 0.000 -3.764 16.212) 16.644 10.379 ( 0.000 3.764 16.212) 16.644 12.020 ( 0.000 -1.065 7.934) 8.005 12.020 ( 0.000 1.065 7.934) 8.005 12.318 ( 0.000 -0.114 -2.170) 2.173 12.318 ( 0.000 0.114 -2.170) 2.173 13.778 ( 0.000 -0.385 8.122) 8.131 13.778 ( 0.000 0.385 8.122) 8.131 14.323 ( 0.000 -0.108 8.587) 8.588 14.323 ( 0.000 0.108 8.587) 8.588 14.562 ( 0.000 -2.192 -0.449) 2.238 14.562 ( 0.000 2.192 -0.449) 2.238 14.793 ( 0.000 -0.002 -13.076) 13.076 14.793 ( 0.000 0.002 -13.076) 13.076 15.452 ( 0.000 -18.304 5.557) 19.128 15.452 ( 0.000 18.304 5.557) 19.128 16.161 ( 0.000 -5.955 -12.114) 13.498 16.161 ( 0.000 5.955 -12.114) 13.498 ======================= Grid point 157 (59/75) ======================= q-point: ( 0.20 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( -0.490 0.000 6.482) 6.500 1.932 ( 0.418 -0.000 7.615) 7.627 2.100 ( -1.487 0.000 13.985) 14.064 2.102 ( -1.965 -0.000 11.383) 11.551 2.464 ( -5.539 0.000 3.278) 6.436 2.525 ( -2.477 -0.000 -7.931) 8.309 2.679 ( -4.274 0.000 1.606) 4.566 2.696 ( 0.306 0.000 -6.042) 6.050 2.998 ( 8.499 0.000 4.025) 9.404 3.069 ( 8.621 -0.000 4.248) 9.611 3.217 ( -4.044 -0.000 -2.573) 4.793 3.221 ( -5.430 0.000 1.994) 5.785 3.460 ( 5.697 -0.000 -10.724) 12.144 3.508 ( 7.555 0.000 -4.459) 8.773 3.725 ( -4.854 0.000 -10.203) 11.299 3.740 ( -5.944 -0.000 -8.637) 10.484 4.234 ( -0.495 0.000 -0.471) 0.683 4.259 ( -0.498 -0.000 2.930) 2.972 4.312 ( 1.614 0.000 3.140) 3.530 4.339 ( 2.583 -0.000 2.168) 3.372 4.794 ( 1.575 0.000 4.168) 4.456 4.856 ( 3.970 -0.000 1.370) 4.200 5.076 ( 3.913 -0.000 -2.795) 4.808 5.078 ( 2.990 0.000 2.176) 3.698 5.554 ( -6.236 -0.000 -3.765) 7.285 5.561 ( -6.445 0.000 -4.962) 8.134 5.641 ( -1.022 0.000 6.218) 6.301 5.675 ( -0.684 0.000 6.757) 6.792 5.845 ( 1.271 0.000 42.317) 42.336 5.851 ( 1.327 -0.000 44.186) 44.206 6.391 ( 1.107 0.000 15.563) 15.602 6.393 ( 1.178 -0.000 14.495) 14.543 6.879 ( -1.583 0.000 -5.982) 6.188 6.918 ( -2.519 0.000 -5.694) 6.226 6.980 ( 2.697 0.000 -8.719) 9.126 7.013 ( 1.649 0.000 -8.846) 8.999 7.399 ( 0.221 0.000 -15.215) 15.217 7.401 ( 0.273 -0.000 -14.979) 14.981 9.758 ( 0.475 0.000 -53.224) 53.226 9.760 ( 0.523 0.000 -53.398) 53.401 10.264 ( -3.169 0.000 17.230) 17.519 10.301 ( -3.734 0.000 17.198) 17.599 10.383 ( 1.693 0.000 16.125) 16.213 10.411 ( 0.905 0.000 15.355) 15.382 12.008 ( -0.830 -0.000 8.116) 8.158 12.013 ( -0.763 0.000 7.764) 7.801 12.313 ( -0.170 0.000 -2.294) 2.300 12.321 ( -0.032 0.000 -2.137) 2.137 13.758 ( 1.040 0.000 8.806) 8.867 13.856 ( 4.028 0.000 6.455) 7.609 14.199 ( -3.903 0.000 11.041) 11.710 14.462 ( 3.611 0.000 8.774) 9.488 14.522 ( -3.273 0.000 2.744) 4.271 14.559 ( -0.492 0.000 -0.256) 0.555 14.705 ( 1.163 0.000 -14.393) 14.439 14.955 ( 7.722 0.000 -20.456) 21.865 15.339 ( -6.731 -0.000 12.031) 13.786 15.474 ( -1.729 0.000 3.208) 3.644 16.157 ( 0.348 0.000 -12.270) 12.274 16.177 ( 0.698 -0.000 -12.058) 12.078 ======================= Grid point 159 (60/75) ======================= q-point: ( 0.40 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( 0.340 0.000 7.781) 7.789 1.929 ( -0.896 0.000 8.325) 8.373 2.073 ( -0.524 0.000 11.663) 11.675 2.078 ( -0.747 0.000 13.049) 13.071 2.392 ( -0.866 0.000 4.734) 4.813 2.437 ( -4.871 -0.000 1.036) 4.980 2.667 ( 1.746 0.000 -3.577) 3.981 2.700 ( -0.865 0.000 -5.700) 5.765 3.125 ( 2.062 -0.000 0.918) 2.257 3.135 ( -1.115 0.000 0.707) 1.321 3.188 ( 2.572 -0.000 1.217) 2.845 3.216 ( 2.689 0.000 6.116) 6.681 3.516 ( 1.634 -0.000 -14.895) 14.985 3.602 ( -5.736 0.000 -9.228) 10.865 3.630 ( 3.025 0.000 -8.494) 9.016 3.671 ( -0.961 0.000 -8.744) 8.797 4.236 ( 0.425 0.000 1.725) 1.777 4.247 ( -0.696 -0.000 3.159) 3.234 4.344 ( 1.578 0.000 2.390) 2.864 4.363 ( -0.085 -0.000 2.214) 2.216 4.832 ( 2.353 0.000 6.515) 6.927 4.877 ( -1.653 0.000 4.898) 5.169 5.206 ( 9.690 -0.000 0.873) 9.729 5.209 ( 9.363 0.000 -4.983) 10.607 5.399 ( -9.590 0.000 -1.015) 9.644 5.401 ( -9.766 -0.000 -5.422) 11.171 5.633 ( 0.261 0.000 6.680) 6.685 5.651 ( -1.454 0.000 6.325) 6.490 5.866 ( 0.724 0.000 37.089) 37.096 5.869 ( 0.416 -0.000 38.208) 38.210 6.412 ( 0.777 -0.000 16.949) 16.967 6.413 ( 0.654 0.000 16.288) 16.301 6.862 ( -0.143 0.000 -4.506) 4.509 6.876 ( -1.606 -0.000 -4.298) 4.588 7.023 ( 1.478 0.000 -9.174) 9.292 7.033 ( 0.352 0.000 -9.271) 9.278 7.405 ( 0.238 0.000 -14.201) 14.203 7.406 ( 0.121 -0.000 -14.073) 14.073 9.768 ( 0.415 -0.000 -54.777) 54.778 9.770 ( 0.294 0.000 -54.885) 54.885 10.220 ( -0.939 0.000 18.439) 18.462 10.236 ( -2.483 -0.000 18.533) 18.698 10.407 ( 0.807 0.000 15.521) 15.541 10.416 ( -0.161 0.000 15.160) 15.160 11.996 ( -0.338 -0.000 8.067) 8.074 11.998 ( -0.598 0.000 7.849) 7.871 12.313 ( 0.139 0.000 -2.332) 2.336 12.317 ( -0.273 0.000 -2.241) 2.258 13.808 ( 3.741 0.000 8.421) 9.214 13.876 ( -2.321 0.000 6.592) 6.988 14.215 ( 5.489 0.000 11.322) 12.582 14.359 ( -8.295 0.000 8.196) 11.661 14.538 ( 0.885 0.000 2.961) 3.090 14.549 ( -0.493 0.000 0.691) 0.848 14.832 ( 9.764 0.000 -14.476) 17.461 15.001 ( -5.306 0.000 -24.009) 24.588 15.284 ( 3.367 0.000 14.666) 15.048 15.395 ( -5.973 0.000 4.334) 7.380 16.171 ( 0.857 0.000 -12.297) 12.327 16.182 ( -0.216 -0.000 -12.189) 12.191 ======================= Grid point 180 (61/75) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( 0.000 0.000 11.128) 11.128 1.563 ( 0.000 0.000 -7.576) 7.576 1.637 ( 0.000 0.000 14.219) 14.219 1.898 ( 0.000 0.000 -11.360) 11.360 2.185 ( 0.000 0.000 14.337) 14.337 2.521 ( 0.000 0.000 -18.249) 18.249 2.540 ( 0.000 0.000 16.048) 16.048 2.898 ( 0.000 0.000 -18.898) 18.898 2.905 ( 0.000 0.000 15.121) 15.121 3.115 ( 0.000 0.000 -6.322) 6.322 3.311 ( 0.000 0.000 8.982) 8.982 3.515 ( 0.000 0.000 -8.440) 8.440 3.978 ( 0.000 0.000 9.205) 9.205 4.157 ( 0.000 0.000 -3.085) 3.085 4.197 ( 0.000 0.000 10.619) 10.619 4.318 ( 0.000 0.000 4.680) 4.680 4.365 ( 0.000 0.000 17.981) 17.981 4.368 ( 0.000 0.000 -3.971) 3.971 4.466 ( 0.000 0.000 -10.264) 10.264 4.571 ( 0.000 0.000 -2.398) 2.398 4.807 ( 0.000 0.000 -7.618) 7.618 4.824 ( 0.000 0.000 -11.445) 11.445 4.985 ( 0.000 0.000 5.627) 5.627 5.082 ( 0.000 0.000 -3.211) 3.211 5.226 ( 0.000 0.000 -0.016) 0.016 5.260 ( 0.000 0.000 -3.948) 3.948 5.811 ( 0.000 0.000 3.839) 3.839 5.924 ( 0.000 0.000 -6.955) 6.955 6.342 ( 0.000 0.000 4.078) 4.078 6.424 ( 0.000 0.000 14.975) 14.975 6.440 ( 0.000 0.000 1.132) 1.132 6.501 ( 0.000 0.000 -5.373) 5.373 6.514 ( 0.000 0.000 -12.107) 12.107 6.749 ( 0.000 0.000 -16.281) 16.281 7.191 ( 0.000 0.000 56.513) 56.513 7.512 ( 0.000 0.000 19.830) 19.830 7.766 ( 0.000 0.000 57.128) 57.128 8.169 ( 0.000 0.000 -16.482) 16.482 8.633 ( 0.000 0.000 -55.747) 55.747 8.917 ( 0.000 0.000 -55.400) 55.400 9.778 ( 0.000 0.000 5.615) 5.615 9.782 ( 0.000 0.000 5.426) 5.426 10.300 ( 0.000 0.000 15.527) 15.527 10.489 ( 0.000 0.000 -2.707) 2.707 12.035 ( 0.000 0.000 6.727) 6.727 12.046 ( 0.000 0.000 7.717) 7.717 12.165 ( 0.000 0.000 -5.806) 5.806 12.187 ( 0.000 0.000 -5.949) 5.949 13.738 ( 0.000 0.000 4.385) 4.385 13.880 ( 0.000 0.000 -9.018) 9.018 14.028 ( 0.000 0.000 9.977) 9.977 14.210 ( 0.000 0.000 -7.867) 7.867 14.309 ( 0.000 0.000 5.521) 5.521 14.393 ( 0.000 0.000 10.786) 10.786 14.393 ( 0.000 0.000 -2.776) 2.776 14.697 ( 0.000 0.000 -19.042) 19.042 15.637 ( 0.000 0.000 15.401) 15.401 15.909 ( 0.000 0.000 -11.615) 11.615 16.767 ( 0.000 0.000 4.975) 4.975 16.874 ( 0.000 0.000 -5.515) 5.515 ======================= Grid point 181 (62/75) ======================= q-point: ( 0.20 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( 15.405 0.000 7.289) 17.042 1.649 ( 7.197 0.000 1.726) 7.401 1.720 ( 7.873 0.000 6.290) 10.077 1.921 ( 1.900 0.000 -8.978) 9.177 2.207 ( 2.342 0.000 14.248) 14.440 2.497 ( -4.021 0.000 16.303) 16.791 2.539 ( 2.197 0.000 -17.785) 17.920 2.855 ( -4.034 0.000 -18.592) 19.025 2.987 ( 8.451 0.000 12.341) 14.957 3.145 ( 2.920 0.000 -4.196) 5.112 3.339 ( 3.113 0.000 7.567) 8.182 3.497 ( -2.299 0.000 -4.902) 5.414 3.914 ( -7.735 0.000 3.981) 8.700 4.020 ( -14.468 0.000 -3.005) 14.777 4.083 ( -13.212 0.000 5.007) 14.129 4.143 ( -19.588 0.000 -1.483) 19.644 4.182 ( 2.109 0.000 9.966) 10.186 4.412 ( 0.676 0.000 -10.043) 10.065 4.513 ( 3.123 0.000 13.547) 13.902 4.676 ( 4.665 0.000 3.524) 5.846 4.779 ( -3.461 0.000 -9.294) 9.918 4.817 ( 1.923 0.000 -8.042) 8.268 4.959 ( -0.809 0.000 1.381) 1.601 5.017 ( -3.714 0.000 -2.280) 4.358 5.372 ( 10.731 0.000 1.182) 10.796 5.435 ( 12.593 0.000 -5.591) 13.779 5.781 ( -2.901 0.000 3.607) 4.629 5.881 ( -3.969 0.000 -6.105) 7.282 6.361 ( 2.394 0.000 3.314) 4.089 6.468 ( 1.935 0.000 0.009) 1.935 6.484 ( 2.747 0.000 0.652) 2.823 6.520 ( 0.981 0.000 -8.461) 8.517 6.571 ( 9.480 0.000 7.810) 12.283 6.889 ( 13.377 0.000 -16.400) 21.164 7.203 ( 1.256 0.000 54.549) 54.564 7.423 ( -9.082 0.000 20.373) 22.305 7.695 ( -6.275 0.000 56.760) 57.106 8.066 ( -10.338 0.000 -14.190) 17.557 8.636 ( 0.487 0.000 -56.507) 56.509 8.848 ( -5.962 0.000 -54.994) 55.316 9.864 ( 7.737 0.000 6.445) 10.069 9.886 ( 9.913 0.000 3.806) 10.619 10.273 ( -2.914 0.000 14.485) 14.775 10.443 ( -4.802 0.000 -1.945) 5.181 12.037 ( 0.234 0.000 6.798) 6.803 12.046 ( 0.037 0.000 7.608) 7.609 12.168 ( 0.274 0.000 -5.777) 5.783 12.186 ( -0.105 0.000 -5.917) 5.918 13.798 ( 6.192 0.000 2.566) 6.702 13.889 ( 1.315 0.000 -4.946) 5.118 14.050 ( 1.399 0.000 8.323) 8.440 14.223 ( 1.074 0.000 -7.869) 7.942 14.276 ( -3.109 0.000 7.006) 7.665 14.354 ( -3.139 0.000 5.328) 6.184 14.379 ( -1.479 0.000 -2.594) 2.986 14.550 ( -12.664 0.000 -13.748) 18.692 15.809 ( 15.564 0.000 10.409) 18.724 16.009 ( 9.744 0.000 -9.026) 13.282 16.695 ( -7.305 0.000 3.737) 8.205 16.773 ( -10.196 0.000 -3.837) 10.894 ======================= Grid point 182 (63/75) ======================= q-point: ( 0.40 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( 6.475 0.000 6.436) 9.130 1.828 ( 11.127 0.000 0.470) 11.137 1.842 ( 2.281 0.000 3.628) 4.285 1.938 ( -1.232 0.000 -4.170) 4.348 2.282 ( 5.535 0.000 15.492) 16.451 2.399 ( -5.971 0.000 16.537) 17.582 2.622 ( 6.505 0.000 -17.483) 18.654 2.755 ( -6.378 0.000 -18.149) 19.238 3.229 ( 16.576 0.000 4.073) 17.069 3.235 ( 6.976 0.000 1.733) 7.188 3.399 ( -8.306 0.000 3.960) 9.202 3.434 ( 4.900 0.000 0.360) 4.913 3.685 ( -17.215 0.000 2.650) 17.418 3.754 ( -17.027 0.000 6.109) 18.090 3.790 ( -2.199 0.000 -6.847) 7.192 3.856 ( -8.628 0.000 -3.917) 9.476 4.300 ( 8.467 0.000 9.833) 12.976 4.460 ( -7.049 0.000 10.521) 12.664 4.492 ( 6.322 0.000 -5.908) 8.653 4.622 ( -6.671 0.000 -2.097) 6.993 4.827 ( 5.345 0.000 -1.721) 5.615 4.882 ( 3.988 0.000 -4.878) 6.300 4.919 ( -3.724 0.000 -1.370) 3.968 4.952 ( -3.330 0.000 -2.533) 4.184 5.566 ( 8.855 0.000 2.667) 9.248 5.647 ( 9.009 0.000 -5.526) 10.569 5.702 ( -5.409 0.000 3.212) 6.290 5.786 ( -5.902 0.000 -5.085) 7.791 6.428 ( 3.956 0.000 0.361) 3.973 6.481 ( -1.035 0.000 -1.154) 1.550 6.516 ( 1.214 0.000 -6.892) 6.998 6.530 ( -0.076 0.000 -6.916) 6.916 6.847 ( 17.301 0.000 18.255) 25.151 7.166 ( 11.422 0.000 -0.809) 11.451 7.177 ( -15.948 0.000 20.528) 25.995 7.235 ( 1.451 0.000 42.690) 42.715 7.610 ( 1.090 0.000 42.147) 42.161 7.805 ( -15.326 0.000 -2.426) 15.517 8.661 ( 2.408 0.000 -57.177) 57.228 8.734 ( -5.209 0.000 -56.164) 56.405 10.035 ( 9.044 0.000 8.882) 12.676 10.104 ( 11.726 0.000 1.740) 11.854 10.185 ( -6.317 0.000 11.899) 13.472 10.308 ( -9.118 0.000 -0.162) 9.119 12.043 ( 0.257 0.000 7.016) 7.020 12.046 ( -0.088 0.000 7.331) 7.331 12.175 ( 0.398 0.000 -5.761) 5.774 12.182 ( -0.297 0.000 -5.828) 5.836 13.941 ( 4.174 0.000 1.805) 4.548 13.969 ( 11.275 0.000 -1.992) 11.450 14.031 ( -3.995 0.000 7.358) 8.373 14.191 ( -8.662 0.000 -7.722) 11.604 14.244 ( 1.032 0.000 2.985) 3.158 14.293 ( -3.188 0.000 1.619) 3.576 14.330 ( -2.195 0.000 -2.888) 3.627 14.355 ( -3.497 0.000 -6.732) 7.587 16.154 ( 19.088 0.000 4.690) 19.656 16.244 ( 13.691 0.000 -4.113) 14.295 16.501 ( -12.391 0.000 0.443) 12.399 16.506 ( -16.919 0.000 0.067) 16.919 ======================= Grid point 185 (64/75) ======================= q-point: ( 0.00 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( 0.000 11.774 8.955) 14.793 1.651 ( 0.000 8.066 -5.557) 9.795 1.703 ( 0.000 6.066 12.644) 14.024 1.937 ( 0.000 3.720 -9.985) 10.656 2.234 ( 0.000 4.514 12.328) 13.128 2.465 ( 0.000 -2.437 1.138) 2.690 2.618 ( 0.000 4.437 -2.203) 4.953 2.851 ( 0.000 -4.940 12.526) 13.465 2.894 ( 0.000 -0.431 -17.963) 17.968 3.027 ( 0.000 -7.894 -4.994) 9.341 3.310 ( 0.000 0.102 8.663) 8.663 3.502 ( 0.000 -1.178 -7.525) 7.617 3.896 ( 0.000 -16.858 2.339) 17.019 3.933 ( 0.000 -19.336 -1.166) 19.371 4.002 ( 0.000 1.431 10.933) 11.027 4.193 ( 0.000 3.059 -2.875) 4.198 4.291 ( 0.000 -6.132 16.981) 18.054 4.549 ( 0.000 -2.044 -3.517) 4.068 4.637 ( 0.000 -12.696 -10.221) 16.299 4.673 ( 0.000 13.012 4.287) 13.700 4.718 ( 0.000 -8.736 -10.162) 13.401 4.780 ( 0.000 11.292 -6.118) 12.843 4.914 ( 0.000 -1.060 5.542) 5.643 4.985 ( 0.000 -7.250 -1.985) 7.517 5.341 ( 0.000 8.406 -0.766) 8.441 5.359 ( 0.000 7.156 -2.783) 7.678 5.772 ( 0.000 -4.149 3.638) 5.519 5.889 ( 0.000 -3.954 -7.425) 8.413 6.389 ( 0.000 2.384 8.566) 8.891 6.454 ( 0.000 4.636 10.270) 11.268 6.499 ( 0.000 4.996 0.619) 5.035 6.542 ( 0.000 3.673 -4.384) 5.720 6.574 ( 0.000 4.857 -11.511) 12.494 6.752 ( 0.000 0.811 -15.535) 15.556 7.201 ( 0.000 0.771 55.879) 55.884 7.398 ( 0.000 -9.743 20.490) 22.688 7.686 ( 0.000 -6.825 57.489) 57.893 7.973 ( 0.000 -16.378 -13.894) 21.477 8.602 ( 0.000 -2.105 -58.126) 58.164 8.851 ( 0.000 -5.539 -55.755) 56.030 9.923 ( 0.000 12.171 5.905) 13.528 9.933 ( 0.000 12.437 4.916) 13.374 10.384 ( 0.000 7.056 14.211) 15.867 10.549 ( 0.000 4.833 -1.476) 5.053 12.059 ( 0.000 2.153 6.352) 6.707 12.060 ( 0.000 1.306 7.433) 7.547 12.182 ( 0.000 1.506 -5.497) 5.699 12.195 ( 0.000 0.770 -5.684) 5.736 13.762 ( 0.000 2.381 5.728) 6.203 13.933 ( 0.000 5.057 -10.393) 11.558 14.007 ( 0.000 -1.645 8.778) 8.931 14.163 ( 0.000 -3.041 -6.284) 6.981 14.338 ( 0.000 2.672 5.079) 5.739 14.415 ( 0.000 2.038 -2.441) 3.179 14.447 ( 0.000 3.908 8.351) 9.220 14.708 ( 0.000 0.755 -16.825) 16.842 15.603 ( 0.000 -3.036 15.445) 15.741 15.881 ( 0.000 -2.462 -12.101) 12.349 16.671 ( 0.000 -8.976 3.733) 9.721 16.750 ( 0.000 -11.343 -3.857) 11.981 ======================= Grid point 186 (65/75) ======================= q-point: ( 0.20 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( 8.926 6.089 8.776) 13.920 1.712 ( 6.700 5.690 -0.469) 8.803 1.803 ( 8.032 7.381 5.765) 12.338 1.956 ( 1.450 3.392 -7.292) 8.172 2.256 ( 2.330 4.544 12.257) 13.278 2.453 ( -1.454 -2.149 7.609) 8.039 2.602 ( -0.589 3.631 -7.985) 8.792 2.842 ( -4.462 -1.550 -17.027) 17.670 2.931 ( 7.748 -4.899 10.279) 13.773 3.070 ( 4.032 -6.117 -4.013) 8.353 3.344 ( 3.668 0.401 6.689) 7.639 3.467 ( -4.480 -3.077 -2.269) 5.889 3.765 ( -8.185 -10.618 -0.865) 13.435 3.800 ( -10.212 -13.634 -3.197) 17.332 4.046 ( -2.567 -3.294 9.152) 10.060 4.152 ( -8.587 2.033 0.823) 8.863 4.276 ( -0.867 0.390 8.564) 8.616 4.420 ( -5.765 0.824 -4.577) 7.407 4.605 ( 3.896 -4.532 2.270) 6.393 4.665 ( -3.805 3.639 0.165) 5.267 4.742 ( -1.894 -0.685 -6.033) 6.360 4.763 ( -0.099 -4.162 -5.936) 7.251 4.931 ( -0.254 -1.334 0.545) 1.463 4.962 ( -0.834 -2.497 -1.072) 2.842 5.428 ( 7.610 5.038 0.777) 9.159 5.478 ( 9.402 3.471 -4.582) 11.020 5.750 ( -2.078 -3.286 2.944) 4.877 5.849 ( -3.702 -3.568 -6.482) 8.273 6.427 ( 2.978 5.034 3.912) 7.037 6.503 ( 3.826 2.941 6.536) 8.125 6.546 ( 3.562 5.224 1.512) 6.501 6.571 ( 4.342 2.557 -0.311) 5.049 6.583 ( 1.655 3.759 -7.209) 8.297 6.879 ( 12.318 -0.714 -16.701) 20.765 7.211 ( 0.923 0.322 53.287) 53.296 7.318 ( -7.944 -8.547 21.624) 24.571 7.627 ( -5.513 -5.872 57.635) 58.195 7.887 ( -8.695 -15.071 -11.782) 21.014 8.609 ( 0.746 -1.941 -58.354) 58.391 8.800 ( -4.612 -4.184 -55.907) 56.253 9.991 ( 6.226 10.826 6.400) 14.033 10.009 ( 7.538 10.296 4.332) 13.476 10.356 ( -3.023 6.962 13.226) 15.249 10.502 ( -4.792 4.836 -0.785) 6.853 12.059 ( 0.068 1.930 6.543) 6.822 12.061 ( 0.042 1.348 7.262) 7.386 12.184 ( 0.169 1.407 -5.466) 5.647 12.194 ( -0.080 0.782 -5.651) 5.706 13.817 ( 5.503 1.903 4.202) 7.180 13.925 ( 0.185 2.982 -3.452) 4.566 14.045 ( 2.458 0.386 4.035) 4.741 14.163 ( -0.198 -3.041 -5.261) 6.079 14.321 ( -1.363 3.131 4.363) 5.540 14.400 ( -1.583 2.315 -1.425) 3.146 14.416 ( -2.526 4.186 3.225) 5.857 14.577 ( -11.294 2.123 -11.791) 16.465 15.761 ( 14.316 -4.414 10.933) 18.546 15.973 ( 8.907 -3.312 -9.643) 13.539 16.603 ( -6.972 -8.705 2.710) 11.477 16.659 ( -9.130 -10.335 -2.655) 14.043 ======================= Grid point 187 (66/75) ======================= q-point: ( 0.40 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( 8.207 1.178 8.248) 11.695 1.847 ( 3.881 2.457 2.628) 5.292 1.920 ( 3.182 4.996 0.491) 5.944 1.964 ( -0.935 2.678 -4.007) 4.909 2.321 ( 4.246 3.441 14.070) 15.094 2.402 ( -3.754 0.429 15.050) 15.517 2.635 ( 4.272 0.813 -15.252) 15.860 2.740 ( -5.849 -1.563 -16.626) 17.694 3.114 ( 9.693 -7.056 6.254) 13.522 3.204 ( 10.633 -4.041 -1.446) 11.467 3.314 ( -9.522 -6.800 4.608) 12.575 3.410 ( -2.189 -3.623 -4.015) 5.834 3.637 ( -0.782 -2.006 2.549) 3.336 3.696 ( -0.234 -2.586 -2.207) 3.408 3.845 ( -11.139 -0.664 2.422) 11.418 3.888 ( -14.742 2.147 -1.912) 15.020 4.353 ( 8.164 4.810 7.690) 12.204 4.460 ( 4.060 -0.422 0.974) 4.196 4.541 ( -6.749 4.040 3.556) 8.632 4.597 ( -5.504 -2.556 1.131) 6.173 4.766 ( 5.168 -5.352 -2.787) 7.945 4.816 ( 3.639 -5.592 -3.802) 7.680 4.881 ( -3.134 -3.550 -2.196) 5.220 4.925 ( -3.874 -0.751 -4.253) 5.802 5.580 ( 7.235 1.296 1.980) 7.612 5.642 ( 6.630 -0.623 -3.846) 7.691 5.695 ( -3.486 -1.047 1.149) 3.817 5.763 ( -5.094 -2.455 -5.134) 7.638 6.496 ( 3.685 5.403 0.386) 6.552 6.538 ( -0.125 4.677 -0.604) 4.717 6.576 ( 0.612 5.015 -5.674) 7.598 6.584 ( -0.126 4.570 -6.701) 8.112 6.803 ( 15.153 -3.475 18.015) 23.796 7.092 ( -13.672 -6.970 21.746) 26.616 7.152 ( 12.751 -1.807 -9.132) 15.788 7.248 ( 0.910 1.063 39.188) 39.213 7.531 ( -1.721 -6.361 50.440) 50.869 7.665 ( -12.935 -11.842 1.680) 17.618 8.637 ( 2.430 -1.824 -58.312) 58.391 8.705 ( -4.602 -2.439 -57.137) 57.374 10.132 ( 7.695 8.356 8.483) 14.178 10.184 ( 9.530 6.847 3.574) 12.267 10.271 ( -5.403 7.331 10.145) 13.633 10.372 ( -8.482 5.365 0.780) 10.066 12.061 ( 0.061 1.574 6.842) 7.021 12.061 ( 0.013 1.421 7.021) 7.163 12.188 ( 0.230 1.146 -5.480) 5.604 12.192 ( -0.188 0.887 -5.568) 5.642 13.943 ( 4.902 -0.453 4.193) 6.467 13.960 ( 3.821 0.697 2.166) 4.447 14.061 ( 0.436 2.652 0.630) 2.761 14.143 ( -3.178 -1.013 -6.834) 7.605 14.307 ( -0.008 3.551 2.050) 4.100 14.352 ( -5.458 4.557 -0.104) 7.111 14.368 ( -0.840 3.280 -2.057) 3.962 14.391 ( -3.921 3.146 -5.750) 7.638 16.078 ( 17.475 -6.972 5.909) 19.721 16.187 ( 12.395 -5.244 -4.615) 14.228 16.403 ( -14.283 -8.888 1.502) 16.890 16.436 ( -12.368 -6.627 -1.813) 14.148 ======================= Grid point 190 (67/75) ======================= q-point: ( 0.00 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( 0.000 15.339 4.755) 16.059 1.864 ( 0.000 8.508 10.204) 13.286 1.868 ( 0.000 12.191 -0.955) 12.229 2.050 ( 0.000 6.880 -7.143) 9.917 2.357 ( 0.000 5.774 6.800) 8.920 2.437 ( 0.000 1.145 4.569) 4.710 2.709 ( 0.000 4.297 -2.919) 5.194 2.724 ( 0.000 -6.522 7.075) 9.623 2.828 ( 0.000 -10.110 -2.872) 10.510 2.884 ( 0.000 -0.292 -14.517) 14.520 3.313 ( 0.000 -0.209 6.892) 6.895 3.468 ( 0.000 -2.272 -6.637) 7.015 3.589 ( 0.000 -12.638 -0.121) 12.639 3.614 ( 0.000 -9.542 -3.270) 10.087 3.919 ( 0.000 -11.527 17.031) 20.566 4.189 ( 0.000 -7.661 0.289) 7.666 4.252 ( 0.000 2.060 5.478) 5.853 4.377 ( 0.000 -4.921 -3.332) 5.943 4.490 ( 0.000 -6.217 -6.815) 9.225 4.578 ( 0.000 -0.325 -13.383) 13.387 4.610 ( 0.000 -11.550 5.362) 12.734 4.722 ( 0.000 -10.005 -4.742) 11.072 5.017 ( 0.000 8.777 9.070) 12.622 5.160 ( 0.000 12.792 -4.843) 13.678 5.488 ( 0.000 4.646 -0.992) 4.751 5.503 ( 0.000 6.035 -1.919) 6.332 5.617 ( 0.000 -10.933 2.909) 11.313 5.744 ( 0.000 -9.768 -9.064) 13.326 6.437 ( 0.000 3.434 12.692) 13.148 6.591 ( 0.000 6.411 4.830) 8.027 6.610 ( 0.000 4.985 1.072) 5.099 6.640 ( 0.000 5.346 -3.055) 6.158 6.666 ( 0.000 3.906 -9.581) 10.346 6.812 ( 0.000 4.907 -11.766) 12.749 7.135 ( 0.000 -10.300 28.424) 30.233 7.255 ( 0.000 0.442 44.907) 44.909 7.530 ( 0.000 -7.289 57.135) 57.598 7.597 ( 0.000 -17.950 -9.428) 20.275 8.570 ( 0.000 -0.819 -60.721) 60.726 8.728 ( 0.000 -5.530 -57.568) 57.833 10.199 ( 0.000 12.860 6.565) 14.439 10.218 ( 0.000 13.800 4.975) 14.670 10.539 ( 0.000 6.649 11.574) 13.348 10.642 ( 0.000 3.207 1.759) 3.658 12.095 ( 0.000 1.915 6.833) 7.096 12.114 ( 0.000 2.773 5.760) 6.393 12.216 ( 0.000 1.195 -5.033) 5.172 12.221 ( 0.000 2.014 -4.657) 5.073 13.835 ( 0.000 4.432 8.954) 9.991 13.977 ( 0.000 -1.031 7.770) 7.838 14.077 ( 0.000 8.172 -13.568) 15.839 14.131 ( 0.000 0.606 -7.439) 7.464 14.411 ( 0.000 4.147 3.704) 5.560 14.470 ( 0.000 3.025 -1.598) 3.421 14.522 ( 0.000 2.942 6.460) 7.099 14.714 ( 0.000 -0.451 -12.137) 12.145 15.529 ( 0.000 -3.424 15.783) 16.150 15.824 ( 0.000 -2.480 -13.340) 13.568 16.396 ( 0.000 -17.391 3.279) 17.698 16.460 ( 0.000 -14.903 -3.141) 15.230 ======================= Grid point 191 (68/75) ======================= q-point: ( 0.20 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( 1.070 11.173 8.371) 14.002 1.868 ( 3.236 8.830 0.988) 9.456 1.984 ( 5.601 9.100 3.333) 11.193 2.058 ( 0.414 6.190 -4.283) 7.539 2.370 ( 1.033 4.169 7.716) 8.831 2.435 ( -0.002 2.358 7.256) 7.629 2.648 ( -2.365 -0.040 -5.484) 5.972 2.757 ( -3.265 -7.312 -6.172) 10.110 2.850 ( 6.850 -0.634 1.855) 7.125 2.956 ( 6.175 -3.542 -6.508) 9.645 3.338 ( 1.582 -1.819 3.109) 3.934 3.372 ( -8.466 -4.860 1.203) 9.835 3.558 ( -2.800 -7.566 -2.910) 8.577 3.598 ( 0.412 -5.909 -5.736) 8.246 3.891 ( -4.357 -11.585 13.369) 18.219 4.106 ( -9.434 -9.457 -6.243) 14.745 4.311 ( 5.815 2.217 9.560) 11.407 4.381 ( 1.760 1.560 -0.579) 2.422 4.509 ( 1.499 -7.332 -2.002) 7.747 4.577 ( -0.972 -8.282 1.082) 8.409 4.633 ( 4.600 -0.576 -8.266) 9.477 4.687 ( -3.432 -8.414 -5.336) 10.538 4.989 ( -4.419 7.229 6.183) 10.489 5.090 ( -5.668 10.133 -2.782) 11.939 5.529 ( 2.663 2.889 -1.242) 4.121 5.540 ( 4.026 1.751 -2.937) 5.282 5.622 ( 0.425 -9.406 1.433) 9.524 5.720 ( -2.124 -8.544 -7.974) 11.878 6.497 ( 5.691 2.491 11.770) 13.309 6.598 ( 1.589 5.540 6.012) 8.328 6.641 ( 2.094 4.073 -0.503) 4.607 6.665 ( 2.169 4.758 -4.047) 6.612 6.686 ( 1.522 5.375 -5.806) 8.057 6.885 ( 7.798 1.825 -13.019) 15.285 7.086 ( -5.162 -9.795 23.736) 26.191 7.258 ( 0.648 1.510 46.304) 46.334 7.494 ( -3.532 -6.108 57.340) 57.772 7.541 ( -5.661 -16.299 -5.895) 18.233 8.578 ( 0.812 -0.848 -60.571) 60.582 8.704 ( -2.312 -4.435 -57.945) 58.160 10.238 ( 3.934 11.231 6.512) 13.565 10.251 ( 3.300 12.222 5.445) 13.781 10.510 ( -2.841 6.851 10.572) 12.914 10.598 ( -4.363 3.547 2.206) 6.040 12.094 ( -0.032 1.829 6.793) 7.034 12.110 ( -0.357 2.527 5.960) 6.483 12.215 ( -0.061 1.166 -5.003) 5.137 12.220 ( -0.105 1.873 -4.690) 5.051 13.877 ( 3.884 3.647 8.360) 9.913 13.969 ( 0.183 1.183 5.058) 5.198 14.112 ( 1.877 5.187 -5.521) 7.805 14.149 ( 2.304 2.863 -10.679) 11.293 14.399 ( -0.954 4.235 2.749) 5.138 14.457 ( -1.192 3.040 -1.337) 3.529 14.501 ( -1.877 3.587 3.297) 5.221 14.617 ( -8.583 1.395 -8.434) 12.114 15.645 ( 10.757 -6.025 12.652) 17.666 15.889 ( 6.455 -4.086 -11.150) 13.516 16.332 ( -6.582 -16.748 3.283) 18.292 16.401 ( -5.861 -13.422 -3.578) 15.076 ======================= Grid point 192 (69/75) ======================= q-point: ( 0.40 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( 5.475 6.716 8.701) 12.279 1.932 ( 1.074 5.534 4.788) 7.396 2.026 ( 0.056 5.602 -1.194) 5.728 2.054 ( -1.171 5.496 -2.160) 6.020 2.396 ( 1.809 2.302 10.938) 11.323 2.428 ( -1.143 2.695 11.222) 11.598 2.634 ( 1.089 -1.229 -11.028) 11.149 2.684 ( -3.701 -3.840 -11.590) 12.758 3.002 ( 8.373 -2.675 5.210) 10.218 3.124 ( 10.107 -2.714 -5.287) 11.725 3.180 ( -9.205 -4.902 4.779) 11.472 3.310 ( -6.532 -4.295 -7.868) 11.091 3.603 ( 7.651 -2.797 2.066) 8.405 3.631 ( 3.491 -3.775 -1.518) 5.361 3.761 ( -6.839 -6.636 4.732) 10.640 3.867 ( -13.647 -4.998 -4.871) 15.328 4.412 ( 4.056 -3.781 4.765) 7.311 4.474 ( 5.446 3.559 1.101) 6.598 4.488 ( -1.780 -5.791 2.603) 6.594 4.597 ( -5.448 -4.373 -5.583) 8.942 4.631 ( 6.824 -4.368 4.386) 9.213 4.749 ( 2.321 3.706 1.890) 4.764 4.860 ( -3.670 3.059 -1.936) 5.155 4.966 ( -7.610 4.674 -5.590) 10.536 5.584 ( 2.556 -2.691 -0.644) 3.767 5.606 ( 1.376 -3.435 -1.197) 3.889 5.633 ( 1.406 -5.454 -3.693) 6.735 5.676 ( -2.349 -5.732 -6.040) 8.652 6.600 ( 3.791 3.772 4.203) 6.802 6.636 ( 0.467 3.939 3.598) 5.356 6.677 ( 1.260 3.278 -1.970) 4.027 6.684 ( 0.223 4.523 -5.578) 7.185 6.763 ( 7.615 1.385 10.917) 13.383 6.938 ( -8.902 -6.486 19.848) 22.700 7.096 ( 11.940 -3.067 -16.508) 20.603 7.267 ( -2.118 -0.181 17.661) 17.789 7.401 ( -5.334 -9.509 32.362) 34.149 7.418 ( -4.631 -5.083 52.652) 53.099 8.604 ( 1.939 -1.194 -60.023) 60.066 8.651 ( -2.878 -2.429 -58.972) 59.092 10.328 ( 4.752 9.378 7.677) 13.018 10.341 ( 5.583 7.376 6.707) 11.426 10.440 ( -3.823 7.852 7.204) 11.321 10.488 ( -6.515 5.043 2.957) 8.753 12.096 ( 0.203 1.780 6.678) 6.914 12.102 ( -0.427 2.049 6.386) 6.721 12.215 ( 0.048 1.242 -4.959) 5.113 12.217 ( -0.166 1.538 -4.833) 5.074 13.951 ( 3.203 1.501 8.654) 9.349 13.986 ( 0.193 1.801 6.955) 7.187 14.146 ( 3.037 5.561 -5.913) 8.666 14.192 ( 0.408 5.465 -11.561) 12.795 14.389 ( 0.198 4.139 1.001) 4.263 14.431 ( -2.385 3.516 0.110) 4.251 14.455 ( -3.782 3.901 -2.590) 6.019 14.464 ( -2.865 3.588 -2.629) 5.291 15.887 ( 13.366 -10.650 9.081) 19.353 16.039 ( 6.494 -8.856 -3.159) 11.427 16.164 ( -8.593 -12.825 0.496) 15.446 16.253 ( -9.014 -10.352 -5.751) 14.882 ======================= Grid point 195 (70/75) ======================= q-point: ( 0.00 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( 0.000 5.578 10.096) 11.534 2.026 ( 0.000 5.991 6.415) 8.777 2.156 ( 0.000 13.026 -3.470) 13.480 2.201 ( 0.000 6.937 -5.572) 8.898 2.383 ( 0.000 -0.329 9.403) 9.409 2.581 ( 0.000 7.708 -6.564) 10.124 2.584 ( 0.000 -7.683 3.516) 8.450 2.664 ( 0.000 -4.062 -2.793) 4.930 2.820 ( 0.000 7.497 1.103) 7.577 2.917 ( 0.000 5.788 -6.389) 8.621 3.271 ( 0.000 -5.090 3.988) 6.467 3.388 ( 0.000 -6.569 -7.707) 10.127 3.422 ( 0.000 -3.388 2.074) 3.973 3.520 ( 0.000 0.075 -8.197) 8.197 3.626 ( 0.000 -13.604 13.701) 19.307 3.858 ( 0.000 -17.590 -7.736) 19.216 4.288 ( 0.000 1.133 6.081) 6.186 4.347 ( 0.000 -5.555 -1.329) 5.711 4.392 ( 0.000 -8.354 6.128) 10.360 4.509 ( 0.000 -9.490 -4.306) 10.422 4.510 ( 0.000 12.877 2.034) 13.037 4.706 ( 0.000 10.826 -12.475) 16.517 5.097 ( 0.000 -4.233 10.362) 11.193 5.282 ( 0.000 -10.703 -5.942) 12.241 5.421 ( 0.000 2.988 1.287) 3.254 5.537 ( 0.000 0.232 -0.809) 0.841 5.544 ( 0.000 -6.469 -10.370) 12.223 5.572 ( 0.000 0.448 -3.464) 3.492 6.545 ( 0.000 6.673 13.933) 15.449 6.688 ( 0.000 3.690 3.615) 5.166 6.689 ( 0.000 2.280 4.783) 5.298 6.747 ( 0.000 4.436 -3.113) 5.419 6.765 ( 0.000 4.905 -3.683) 6.134 6.914 ( 0.000 4.391 -10.899) 11.750 6.927 ( 0.000 -8.865 18.264) 20.302 7.263 ( 0.000 -12.378 -16.404) 20.550 7.291 ( 0.000 0.714 59.060) 59.064 7.405 ( 0.000 -4.554 55.343) 55.530 8.567 ( 0.000 0.423 -61.422) 61.423 8.636 ( 0.000 -3.306 -59.737) 59.828 10.431 ( 0.000 9.362 7.893) 12.246 10.469 ( 0.000 9.835 4.701) 10.900 10.629 ( 0.000 1.572 8.622) 8.764 10.664 ( 0.000 -0.973 5.149) 5.240 12.134 ( 0.000 1.719 6.284) 6.514 12.158 ( 0.000 1.194 5.633) 5.758 12.241 ( 0.000 1.114 -4.300) 4.442 12.254 ( 0.000 0.933 -3.847) 3.958 13.927 ( 0.000 3.758 11.969) 12.545 13.970 ( 0.000 0.307 9.585) 9.590 14.188 ( 0.000 4.253 -10.948) 11.745 14.230 ( 0.000 5.334 -15.631) 16.516 14.502 ( 0.000 4.182 1.178) 4.345 14.534 ( 0.000 3.152 -0.789) 3.249 14.562 ( 0.000 0.895 4.517) 4.605 14.683 ( 0.000 -2.540 -7.193) 7.629 15.504 ( 0.000 2.335 15.786) 15.958 15.808 ( 0.000 1.667 -14.134) 14.232 16.004 ( 0.000 -18.889 7.288) 20.246 16.155 ( 0.000 -13.876 -7.623) 15.832 ======================= Grid point 196 (71/75) ======================= q-point: ( 0.20 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( -0.587 7.057 8.803) 11.298 2.040 ( 1.065 6.246 6.242) 8.895 2.170 ( 0.487 9.087 -1.782) 9.272 2.193 ( -0.707 6.031 -2.878) 6.720 2.387 ( 0.481 -0.003 9.427) 9.439 2.550 ( -3.275 1.648 0.798) 3.752 2.601 ( 0.648 -3.871 -2.762) 4.799 2.616 ( -2.237 -1.953 -6.461) 7.111 2.914 ( 6.670 6.442 0.339) 9.279 2.955 ( 4.934 4.840 -3.512) 7.752 3.263 ( -3.489 -3.799 1.659) 5.418 3.313 ( -2.267 -2.781 -1.643) 3.946 3.450 ( 0.155 -4.810 -1.768) 5.127 3.515 ( 0.699 -1.748 -7.317) 7.556 3.629 ( -0.387 -11.476 9.377) 14.825 3.806 ( -5.124 -16.107 -6.773) 18.209 4.311 ( 1.621 -0.833 4.609) 4.956 4.352 ( 0.783 -5.910 2.882) 6.621 4.395 ( 0.281 -6.012 1.720) 6.259 4.492 ( -1.425 -8.186 -3.690) 9.092 4.574 ( 6.583 12.784 3.595) 14.822 4.760 ( 5.500 9.923 -10.569) 15.505 5.083 ( -2.411 -1.034 9.944) 10.284 5.277 ( -4.625 3.320 -7.012) 9.032 5.366 ( -0.415 -9.699 2.218) 9.958 5.489 ( -3.357 -5.576 -8.832) 10.971 5.538 ( -1.054 -2.452 -2.640) 3.754 5.575 ( -0.849 -3.955 -5.364) 6.718 6.577 ( 3.186 5.147 14.426) 15.645 6.689 ( 0.582 2.625 7.402) 7.875 6.712 ( 1.532 3.031 1.704) 3.800 6.750 ( 0.474 3.717 -2.278) 4.385 6.793 ( 1.978 4.109 -2.589) 5.244 6.899 ( -1.774 -5.322 13.505) 14.624 6.954 ( 3.424 1.782 -8.450) 9.290 7.238 ( -2.645 -11.294 -15.389) 19.270 7.301 ( 1.024 1.204 58.179) 58.200 7.396 ( -1.016 -3.546 55.532) 55.654 8.573 ( 0.604 0.303 -61.259) 61.263 8.629 ( -0.663 -2.706 -59.887) 59.951 10.438 ( 0.804 7.890 8.236) 11.434 10.474 ( 0.550 8.580 5.255) 10.076 10.609 ( -1.934 2.175 7.491) 8.037 10.633 ( -3.050 -0.117 5.074) 5.921 12.131 ( -0.272 1.544 6.336) 6.527 12.150 ( -0.701 1.115 5.885) 6.030 12.239 ( -0.165 0.976 -4.319) 4.431 12.251 ( -0.276 0.959 -4.030) 4.151 13.945 ( 1.946 2.435 12.057) 12.454 14.004 ( 2.903 2.231 9.637) 10.309 14.208 ( 2.159 4.982 -8.553) 10.131 14.265 ( 3.129 5.015 -15.381) 16.478 14.490 ( -0.845 4.159 -0.824) 4.323 14.518 ( -1.469 2.708 -0.474) 3.117 14.558 ( -0.661 1.771 2.451) 3.095 14.626 ( -5.433 -0.623 -6.091) 8.186 15.556 ( 5.098 -1.085 14.985) 15.866 15.830 ( 1.874 -1.514 -10.092) 10.376 15.970 ( -3.135 -16.185 4.805) 17.171 16.123 ( -3.209 -12.532 -8.380) 15.413 ======================= Grid point 197 (72/75) ======================= q-point: ( 0.40 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( 2.016 6.192 8.922) 11.046 2.051 ( -0.700 4.872 7.704) 9.142 2.166 ( -0.146 7.616 -1.639) 7.792 2.177 ( -0.892 6.185 -1.175) 6.358 2.409 ( 2.047 -0.434 8.799) 9.045 2.470 ( -4.150 -0.599 6.188) 7.475 2.596 ( 0.012 -1.765 -8.967) 9.139 2.604 ( -0.454 -2.996 -7.941) 8.500 3.023 ( 5.768 4.807 3.555) 8.307 3.110 ( 8.375 1.792 -3.848) 9.389 3.146 ( -5.788 1.551 2.904) 6.659 3.266 ( -5.603 -0.105 -8.422) 10.116 3.483 ( 4.322 -8.255 4.716) 10.443 3.539 ( 0.400 -4.859 -1.965) 5.256 3.612 ( -0.185 -6.887 -1.238) 7.000 3.684 ( -6.681 -11.605 -5.978) 14.665 4.336 ( 1.153 -3.394 4.420) 5.691 4.356 ( -0.724 -4.001 5.749) 7.042 4.417 ( 2.031 -5.146 -2.441) 6.047 4.458 ( -2.032 -6.143 -3.197) 7.217 4.752 ( 11.236 11.298 5.506) 16.859 4.904 ( 8.181 9.310 -5.255) 13.462 4.971 ( -8.389 5.723 5.730) 11.660 5.105 ( -10.463 8.404 -3.666) 13.912 5.430 ( 4.027 -12.321 -2.442) 13.191 5.453 ( -0.058 -8.118 -5.620) 9.874 5.506 ( -1.486 -6.762 -5.611) 8.911 5.535 ( -3.108 -8.489 -6.984) 11.423 6.651 ( 3.850 1.924 14.621) 15.242 6.696 ( -0.511 1.485 10.488) 10.605 6.736 ( 0.918 2.906 2.260) 3.795 6.752 ( -0.570 2.246 2.037) 3.085 6.827 ( 1.579 2.964 -0.189) 3.364 6.859 ( -1.988 -1.050 7.972) 8.283 7.050 ( 6.002 -1.209 -12.488) 13.908 7.162 ( -5.206 -6.941 -14.056) 16.518 7.330 ( 1.874 0.633 57.132) 57.166 7.367 ( -1.868 -1.274 56.191) 56.236 8.589 ( 1.082 -0.223 -60.837) 60.847 8.611 ( -1.127 -1.366 -60.306) 60.332 10.466 ( 2.033 4.554 9.238) 10.498 10.488 ( 0.469 5.136 8.029) 9.543 10.566 ( -2.194 3.303 4.246) 5.810 10.569 ( -2.566 3.446 4.046) 5.902 12.128 ( 0.104 1.218 6.422) 6.538 12.136 ( -0.673 1.054 6.301) 6.424 12.238 ( 0.147 0.870 -4.397) 4.485 12.244 ( -0.417 0.902 -4.305) 4.418 13.997 ( 3.028 2.389 12.351) 12.939 14.037 ( -0.412 2.684 11.515) 11.831 14.277 ( 4.800 6.099 -8.351) 11.401 14.322 ( 1.604 5.601 -14.736) 15.846 14.469 ( -1.334 3.162 -0.535) 3.473 14.501 ( -2.008 3.187 -3.219) 4.955 14.510 ( -2.815 1.567 -2.842) 4.296 14.535 ( -1.708 2.801 -1.347) 3.546 15.680 ( 7.304 -7.814 13.451) 17.186 15.812 ( -5.314 -12.106 9.730) 16.416 15.955 ( 3.194 -6.003 -11.177) 13.083 16.042 ( -4.910 -8.977 -10.467) 14.637 ======================= Grid point 200 (73/75) ======================= q-point: ( 0.00 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( 0.000 -0.230 9.660) 9.663 2.080 ( 0.000 0.230 9.660) 9.663 2.300 ( 0.000 -1.017 -9.334) 9.389 2.300 ( 0.000 1.017 -9.334) 9.389 2.426 ( 0.000 -6.401 10.486) 12.285 2.426 ( 0.000 6.401 10.486) 12.285 2.639 ( 0.000 -0.061 -7.927) 7.927 2.639 ( 0.000 0.061 -7.927) 7.927 3.058 ( 0.000 -13.799 5.023) 14.685 3.058 ( 0.000 13.799 5.023) 14.685 3.159 ( 0.000 -14.466 -6.358) 15.801 3.159 ( 0.000 14.466 -6.358) 15.801 3.436 ( 0.000 -4.394 6.291) 7.674 3.436 ( 0.000 4.394 6.291) 7.674 3.594 ( 0.000 -7.137 -9.168) 11.619 3.594 ( 0.000 7.137 -9.168) 11.619 4.291 ( 0.000 -0.788 3.627) 3.712 4.291 ( 0.000 0.788 3.627) 3.712 4.351 ( 0.000 -5.226 -0.569) 5.257 4.351 ( 0.000 5.226 -0.569) 5.257 4.834 ( 0.000 -16.897 5.143) 17.662 4.834 ( 0.000 16.897 5.143) 17.662 4.981 ( 0.000 -14.781 -6.915) 16.318 4.981 ( 0.000 14.781 -6.915) 16.318 5.516 ( 0.000 -1.620 -3.481) 3.840 5.516 ( 0.000 1.620 -3.481) 3.840 5.530 ( 0.000 -4.068 -3.520) 5.380 5.530 ( 0.000 4.068 -3.520) 5.380 6.679 ( 0.000 -4.427 13.808) 14.501 6.679 ( 0.000 4.427 13.808) 14.501 6.758 ( 0.000 -3.636 5.802) 6.847 6.758 ( 0.000 3.636 5.802) 6.847 6.825 ( 0.000 -0.442 -1.023) 1.114 6.825 ( 0.000 0.442 -1.023) 1.114 7.033 ( 0.000 -8.399 -10.770) 13.658 7.033 ( 0.000 8.399 -10.770) 13.658 7.335 ( 0.000 -2.516 53.673) 53.732 7.335 ( 0.000 2.516 53.673) 53.732 8.587 ( 0.000 -1.541 -61.034) 61.054 8.587 ( 0.000 1.541 -61.034) 61.054 10.585 ( 0.000 -5.278 8.007) 9.591 10.585 ( 0.000 5.278 8.007) 9.591 10.616 ( 0.000 -4.242 5.409) 6.873 10.616 ( 0.000 4.242 5.409) 6.873 12.161 ( 0.000 -0.740 5.875) 5.922 12.161 ( 0.000 0.740 5.875) 5.922 12.258 ( 0.000 -0.394 -3.777) 3.797 12.258 ( 0.000 0.394 -3.777) 3.797 13.973 ( 0.000 -0.359 12.136) 12.141 13.973 ( 0.000 0.359 12.136) 12.141 14.265 ( 0.000 -1.881 -14.400) 14.522 14.265 ( 0.000 1.881 -14.400) 14.522 14.558 ( 0.000 -1.140 2.218) 2.494 14.558 ( 0.000 1.140 2.218) 2.494 14.612 ( 0.000 -4.035 -3.233) 5.170 14.612 ( 0.000 4.035 -3.233) 5.170 15.662 ( 0.000 -12.870 12.417) 17.883 15.662 ( 0.000 12.870 12.417) 17.883 15.914 ( 0.000 -8.676 -12.257) 15.017 15.914 ( 0.000 8.676 -12.257) 15.017 ======================= Grid point 202 (74/75) ======================= q-point: ( 0.20 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( 0.033 0.000 9.692) 9.692 2.101 ( 1.008 0.000 9.506) 9.559 2.268 ( -1.574 -0.000 -1.842) 2.423 2.302 ( -0.639 0.000 -11.612) 11.630 2.398 ( -0.732 0.000 13.007) 13.028 2.459 ( 0.138 0.000 3.449) 3.452 2.592 ( -2.530 0.000 -5.394) 5.958 2.621 ( -2.317 0.000 -7.584) 7.930 3.080 ( 3.040 -0.000 3.399) 4.560 3.129 ( 4.656 0.000 2.024) 5.077 3.143 ( 0.291 -0.000 -3.435) 3.447 3.193 ( 2.095 0.000 -4.652) 5.102 3.393 ( -1.921 0.000 4.659) 5.040 3.490 ( 2.346 -0.000 2.197) 3.214 3.534 ( -3.360 0.000 -8.330) 8.982 3.581 ( -3.289 0.000 -6.519) 7.302 4.271 ( 0.266 0.000 3.829) 3.838 4.322 ( 0.866 0.000 3.760) 3.859 4.341 ( 0.331 0.000 -1.463) 1.500 4.380 ( 1.270 0.000 -0.379) 1.326 4.854 ( 3.774 -0.000 4.846) 6.142 4.913 ( 5.523 0.000 5.614) 7.875 4.992 ( 3.341 -0.000 -6.435) 7.251 5.050 ( 4.996 0.000 -5.237) 7.238 5.458 ( -4.725 0.000 -5.387) 7.166 5.461 ( -6.615 0.000 -3.825) 7.641 5.471 ( -5.437 -0.000 -2.909) 6.167 5.487 ( -3.933 -0.000 -5.607) 6.849 6.678 ( 0.309 0.000 15.840) 15.843 6.688 ( 0.364 -0.000 15.511) 15.515 6.764 ( 0.731 0.000 5.843) 5.889 6.770 ( 0.772 -0.000 3.671) 3.752 6.835 ( 1.039 0.000 -0.235) 1.065 6.841 ( 1.257 0.000 -1.970) 2.337 7.036 ( 0.759 0.000 -10.760) 10.787 7.049 ( 1.009 -0.000 -10.964) 11.010 7.338 ( 0.381 -0.000 53.849) 53.851 7.341 ( 0.455 0.000 53.371) 53.373 8.588 ( 0.168 -0.000 -60.984) 60.984 8.590 ( 0.219 0.000 -60.967) 60.967 10.550 ( -2.088 0.000 9.469) 9.696 10.572 ( -2.051 0.000 8.438) 8.684 10.612 ( -0.147 0.000 4.927) 4.929 10.614 ( -0.532 -0.000 3.590) 3.629 12.152 ( -0.657 0.000 5.842) 5.879 12.156 ( -0.558 -0.000 6.277) 6.301 12.251 ( -0.356 0.000 -3.898) 3.914 12.260 ( -0.186 -0.000 -3.967) 3.971 13.972 ( 1.769 0.000 13.336) 13.453 14.033 ( 3.577 0.000 11.792) 12.323 14.281 ( 2.234 0.000 -6.852) 7.207 14.308 ( 3.679 0.000 -19.000) 19.353 14.534 ( -0.792 0.000 -1.077) 1.337 14.573 ( -1.295 0.000 1.641) 2.090 14.579 ( -1.608 0.000 1.383) 2.121 14.594 ( -2.268 0.000 -8.704) 8.995 15.640 ( -1.368 0.000 14.882) 14.945 15.659 ( -1.016 -0.000 11.984) 12.027 15.907 ( -0.036 0.000 -12.293) 12.293 15.922 ( 0.225 -0.000 -13.093) 13.095 ======================= Grid point 204 (75/75) ======================= q-point: ( 0.40 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( 1.018 0.000 9.884) 9.937 2.104 ( -0.832 0.000 9.568) 9.604 2.261 ( 0.908 -0.000 -0.260) 0.944 2.285 ( -1.179 0.000 -5.166) 5.299 2.395 ( 0.581 0.000 7.589) 7.612 2.426 ( -2.466 -0.000 4.007) 4.705 2.570 ( -0.195 0.000 -6.520) 6.523 2.580 ( -1.413 0.000 -6.367) 6.522 3.136 ( 1.713 -0.000 1.446) 2.242 3.157 ( -0.631 0.000 2.345) 2.428 3.186 ( 4.735 -0.000 -2.174) 5.210 3.266 ( 0.426 0.000 -8.891) 8.901 3.358 ( 1.922 0.000 7.324) 7.572 3.477 ( -6.804 -0.000 -1.240) 6.917 3.507 ( 0.428 0.000 -7.548) 7.560 3.516 ( 0.013 0.000 -4.044) 4.044 4.294 ( 1.670 0.000 3.976) 4.312 4.321 ( -0.879 0.000 4.186) 4.278 4.362 ( 1.630 0.000 -1.477) 2.199 4.387 ( -0.602 0.000 -1.088) 1.244 4.951 ( 5.162 -0.000 7.071) 8.755 4.996 ( 1.550 0.000 8.058) 8.206 5.109 ( 8.376 -0.000 -6.028) 10.319 5.169 ( 7.180 0.000 -4.622) 8.539 5.298 ( -9.408 0.000 -3.019) 9.881 5.334 ( -8.197 -0.000 -2.087) 8.458 5.376 ( -2.361 0.000 -10.528) 10.790 5.400 ( -4.119 -0.000 -9.776) 10.609 6.687 ( 0.475 0.000 18.281) 18.288 6.692 ( -0.019 0.000 18.289) 18.289 6.777 ( 0.502 0.000 4.165) 4.195 6.780 ( 0.221 -0.000 3.120) 3.128 6.856 ( 0.910 0.000 -0.966) 1.328 6.861 ( 0.526 0.000 -1.946) 2.016 7.054 ( 0.916 0.000 -10.958) 10.996 7.062 ( 0.189 -0.000 -11.073) 11.074 7.346 ( 0.362 0.000 53.660) 53.662 7.348 ( 0.170 -0.000 53.358) 53.358 8.592 ( 0.191 -0.000 -60.886) 60.887 8.593 ( 0.060 0.000 -60.876) 60.876 10.521 ( -0.608 0.000 10.213) 10.231 10.532 ( -1.658 -0.000 9.841) 9.979 10.604 ( -0.342 0.000 2.580) 2.603 10.605 ( -0.408 -0.000 3.135) 3.161 12.143 ( -0.243 0.000 6.220) 6.225 12.145 ( -0.460 -0.000 6.464) 6.481 12.248 ( 0.084 0.000 -4.147) 4.148 12.253 ( -0.411 0.000 -4.178) 4.198 14.026 ( 3.314 0.000 14.191) 14.573 14.070 ( -0.444 0.000 13.435) 13.443 14.348 ( 4.474 0.000 -3.619) 5.754 14.385 ( 2.885 0.000 -18.752) 18.973 14.503 ( -3.186 0.000 3.322) 4.603 14.524 ( -2.643 0.000 -4.679) 5.374 14.546 ( -0.027 0.000 -10.398) 10.398 14.568 ( -1.120 0.000 -2.600) 2.831 15.622 ( -0.240 0.000 16.039) 16.041 15.633 ( -1.262 -0.000 14.229) 14.284 15.912 ( 0.459 -0.000 -13.176) 13.184 15.921 ( -0.341 0.000 -13.622) 13.626 =================== 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 3/21600 10.0 202.672 157.844 81.409 0.000 0.000 -0.000 3/21600 20.0 32.594 29.968 29.307 0.000 0.000 -0.000 3/21600 30.0 14.385 13.773 16.671 0.000 0.000 -0.000 3/21600 40.0 8.793 8.553 11.787 0.000 0.000 -0.000 3/21600 50.0 6.275 6.171 9.369 0.000 0.000 -0.000 3/21600 60.0 4.889 4.849 8.063 0.000 0.000 -0.000 3/21600 70.0 4.025 4.019 7.338 0.000 0.000 -0.000 3/21600 80.0 3.436 3.450 6.928 0.000 0.000 -0.000 3/21600 90.0 3.009 3.034 6.683 0.000 0.000 -0.000 3/21600 100.0 2.684 2.716 6.520 0.000 0.000 -0.000 3/21600 110.0 2.428 2.464 6.392 0.000 0.000 -0.000 3/21600 120.0 2.220 2.259 6.276 0.000 0.000 -0.000 3/21600 130.0 2.048 2.088 6.159 0.000 0.000 -0.000 3/21600 140.0 1.902 1.943 6.038 0.000 0.000 -0.000 3/21600 150.0 1.778 1.819 5.911 0.000 0.000 -0.000 3/21600 160.0 1.670 1.711 5.779 0.000 0.000 -0.000 3/21600 170.0 1.575 1.616 5.644 0.000 0.000 -0.000 3/21600 180.0 1.491 1.531 5.507 0.000 0.000 -0.000 3/21600 190.0 1.417 1.456 5.369 0.000 0.000 -0.000 3/21600 200.0 1.349 1.388 5.232 0.000 0.000 -0.000 3/21600 210.0 1.289 1.326 5.097 0.000 0.000 -0.000 3/21600 220.0 1.233 1.270 4.964 0.000 0.000 -0.000 3/21600 230.0 1.183 1.219 4.835 0.000 0.000 -0.000 3/21600 240.0 1.136 1.172 4.709 0.000 0.000 -0.000 3/21600 250.0 1.093 1.128 4.587 0.000 0.000 -0.000 3/21600 260.0 1.054 1.087 4.468 0.000 0.000 -0.000 3/21600 270.0 1.017 1.050 4.354 0.000 0.000 -0.000 3/21600 280.0 0.983 1.015 4.244 0.000 0.000 -0.000 3/21600 290.0 0.951 0.982 4.138 0.000 0.000 -0.000 3/21600 300.0 0.921 0.951 4.036 0.000 0.000 -0.000 3/21600 310.0 0.893 0.923 3.938 0.000 0.000 -0.000 3/21600 320.0 0.866 0.895 3.844 0.000 0.000 -0.000 3/21600 330.0 0.842 0.870 3.754 0.000 0.000 -0.000 3/21600 340.0 0.818 0.846 3.666 0.000 0.000 -0.000 3/21600 350.0 0.796 0.823 3.583 0.000 0.000 -0.000 3/21600 360.0 0.775 0.801 3.502 0.000 0.000 -0.000 3/21600 370.0 0.755 0.781 3.425 0.000 0.000 -0.000 3/21600 380.0 0.736 0.761 3.350 0.000 0.000 -0.000 3/21600 390.0 0.718 0.743 3.279 0.000 0.000 -0.000 3/21600 400.0 0.701 0.725 3.210 0.000 0.000 -0.000 3/21600 410.0 0.684 0.708 3.143 0.000 0.000 -0.000 3/21600 420.0 0.669 0.692 3.079 0.000 0.000 -0.000 3/21600 430.0 0.654 0.677 3.018 0.000 0.000 -0.000 3/21600 440.0 0.640 0.662 2.958 0.000 0.000 -0.000 3/21600 450.0 0.626 0.648 2.901 0.000 0.000 -0.000 3/21600 460.0 0.613 0.634 2.846 0.000 0.000 -0.000 3/21600 470.0 0.600 0.622 2.792 0.000 0.000 -0.000 3/21600 480.0 0.588 0.609 2.741 0.000 0.000 -0.000 3/21600 490.0 0.577 0.597 2.691 0.000 0.000 -0.000 3/21600 500.0 0.566 0.586 2.643 0.000 0.000 -0.000 3/21600 510.0 0.555 0.575 2.596 0.000 0.000 -0.000 3/21600 520.0 0.545 0.564 2.551 0.000 0.000 -0.000 3/21600 530.0 0.535 0.554 2.508 0.000 0.000 -0.000 3/21600 540.0 0.525 0.544 2.466 0.000 0.000 -0.000 3/21600 550.0 0.516 0.534 2.425 0.000 0.000 -0.000 3/21600 560.0 0.507 0.525 2.385 0.000 0.000 -0.000 3/21600 570.0 0.498 0.516 2.347 0.000 0.000 -0.000 3/21600 580.0 0.490 0.507 2.310 0.000 0.000 -0.000 3/21600 590.0 0.482 0.499 2.274 0.000 0.000 -0.000 3/21600 600.0 0.474 0.491 2.239 0.000 0.000 -0.000 3/21600 610.0 0.466 0.483 2.205 0.000 0.000 -0.000 3/21600 620.0 0.459 0.475 2.172 0.000 0.000 -0.000 3/21600 630.0 0.452 0.468 2.140 0.000 0.000 -0.000 3/21600 640.0 0.445 0.461 2.108 0.000 0.000 -0.000 3/21600 650.0 0.438 0.454 2.078 0.000 0.000 -0.000 3/21600 660.0 0.432 0.447 2.049 0.000 0.000 -0.000 3/21600 670.0 0.426 0.441 2.020 0.000 0.000 -0.000 3/21600 680.0 0.419 0.435 1.992 0.000 0.000 -0.000 3/21600 690.0 0.413 0.428 1.965 0.000 0.000 -0.000 3/21600 700.0 0.408 0.422 1.938 0.000 0.000 -0.000 3/21600 710.0 0.402 0.417 1.913 0.000 0.000 -0.000 3/21600 720.0 0.397 0.411 1.888 0.000 0.000 -0.000 3/21600 730.0 0.391 0.405 1.863 0.000 0.000 -0.000 3/21600 740.0 0.386 0.400 1.839 0.000 0.000 -0.000 3/21600 750.0 0.381 0.395 1.816 0.000 0.000 -0.000 3/21600 760.0 0.376 0.390 1.793 0.000 0.000 -0.000 3/21600 770.0 0.371 0.385 1.771 0.000 0.000 -0.000 3/21600 780.0 0.367 0.380 1.749 0.000 0.000 -0.000 3/21600 790.0 0.362 0.375 1.728 0.000 0.000 -0.000 3/21600 800.0 0.358 0.371 1.708 0.000 0.000 -0.000 3/21600 810.0 0.353 0.366 1.687 0.000 0.000 -0.000 3/21600 820.0 0.349 0.362 1.668 0.000 0.000 -0.000 3/21600 830.0 0.345 0.357 1.649 0.000 0.000 -0.000 3/21600 840.0 0.341 0.353 1.630 0.000 0.000 -0.000 3/21600 850.0 0.337 0.349 1.611 0.000 0.000 -0.000 3/21600 860.0 0.333 0.345 1.593 0.000 0.000 -0.000 3/21600 870.0 0.329 0.341 1.576 0.000 0.000 -0.000 3/21600 880.0 0.326 0.337 1.558 0.000 0.000 -0.000 3/21600 890.0 0.322 0.334 1.542 0.000 0.000 -0.000 3/21600 900.0 0.319 0.330 1.525 0.000 0.000 -0.000 3/21600 910.0 0.315 0.327 1.509 0.000 0.000 -0.000 3/21600 920.0 0.312 0.323 1.493 0.000 0.000 -0.000 3/21600 930.0 0.308 0.320 1.478 0.000 0.000 -0.000 3/21600 940.0 0.305 0.316 1.462 0.000 0.000 -0.000 3/21600 950.0 0.302 0.313 1.448 0.000 0.000 -0.000 3/21600 960.0 0.299 0.310 1.433 0.000 0.000 -0.000 3/21600 970.0 0.296 0.307 1.419 0.000 0.000 -0.000 3/21600 980.0 0.293 0.304 1.405 0.000 0.000 -0.000 3/21600 990.0 0.290 0.300 1.391 0.000 0.000 -0.000 3/21600 1000.0 0.287 0.298 1.377 0.000 0.000 -0.000 3/21600 Thermal conductivity related properties were written into "kappa-m589.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:50:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|