----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 12:27:49]------------------------- 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 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3/m (176) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.358681282424063 0.000000000000000 0.000000000000000 b -4.679340641212032 8.104855736501166 0.000000000000000 c 0.000000000000000 0.000000000000000 5.536245090000000 Atomic positions (fractional): *1 Pr 0.31156341718410 0.40379548285021 0.75000000000000 140.908 2 Pr 0.68843658281590 0.59620451714978 0.25000000000000 140.908 3 Pr 0.90776793433388 0.31156341718410 0.25000000000000 140.908 4 Pr 0.59620451714978 0.90776793433388 0.75000000000000 140.908 5 Pr 0.40379548285021 0.09223206566612 0.25000000000000 140.908 6 Pr 0.09223206566612 0.68843658281590 0.75000000000000 140.908 *7 U 0.33333333333333 0.66666666666667 0.25000000000000 238.029 8 U 0.66666666666667 0.33333333333333 0.75000000000000 238.029 *9 Cl 0.24809808820191 0.05929962149150 0.75000000000000 35.453 10 Cl 0.05929962149150 0.81120153328958 0.25000000000000 35.453 11 Cl 0.75190191179809 0.94070037850850 0.25000000000000 35.453 12 Cl 0.94070037850850 0.18879846671042 0.75000000000000 35.453 13 Cl 0.81120153328958 0.75190191179809 0.75000000000000 35.453 14 Cl 0.18879846671042 0.24809808820191 0.25000000000000 35.453 *15 O 0.36421504041996 0.84907577081726 0.00540264166661 15.999 16 O 0.63578495958004 0.15092422918274 0.99459735833339 15.999 17 O 0.51513926960269 0.36421504041996 0.50540264166661 15.999 18 O 0.36421504041996 0.84907577081726 0.49459735833339 15.999 19 O 0.84907577081726 0.48486073039730 0.99459735833339 15.999 20 O 0.84907577081726 0.48486073039730 0.50540264166661 15.999 21 O 0.48486073039730 0.63578495958004 0.49459735833339 15.999 22 O 0.15092422918274 0.51513926960269 0.00540264166661 15.999 23 O 0.51513926960269 0.36421504041996 0.99459735833339 15.999 24 O 0.63578495958004 0.15092422918274 0.50540264166661 15.999 25 O 0.48486073039730 0.63578495958004 0.00540264166661 15.999 26 O 0.15092422918274 0.51513926960269 0.49459735833339 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.358681282424063 0.000000000000000 0.000000000000000 b -4.679340641212032 8.104855736501166 0.000000000000000 c 0.000000000000000 0.000000000000000 5.536245090000000 Atomic positions (fractional): *1 Pr 0.31156341718410 0.40379548285021 0.75000000000000 140.908 > 1 2 Pr 0.68843658281590 0.59620451714978 0.25000000000000 140.908 > 2 3 Pr 0.90776793433388 0.31156341718410 0.25000000000000 140.908 > 3 4 Pr 0.59620451714978 0.90776793433388 0.75000000000000 140.908 > 4 5 Pr 0.40379548285021 0.09223206566612 0.25000000000000 140.908 > 5 6 Pr 0.09223206566612 0.68843658281590 0.75000000000000 140.908 > 6 *7 U 0.33333333333333 0.66666666666667 0.25000000000000 238.029 > 7 8 U 0.66666666666667 0.33333333333333 0.75000000000000 238.029 > 8 *9 Cl 0.24809808820191 0.05929962149150 0.75000000000000 35.453 > 9 10 Cl 0.05929962149150 0.81120153328958 0.25000000000000 35.453 > 10 11 Cl 0.75190191179809 0.94070037850850 0.25000000000000 35.453 > 11 12 Cl 0.94070037850850 0.18879846671042 0.75000000000000 35.453 > 12 13 Cl 0.81120153328958 0.75190191179809 0.75000000000000 35.453 > 13 14 Cl 0.18879846671042 0.24809808820191 0.25000000000000 35.453 > 14 *15 O 0.36421504041996 0.84907577081726 0.00540264166661 15.999 > 15 16 O 0.63578495958004 0.15092422918274 0.99459735833339 15.999 > 16 17 O 0.51513926960269 0.36421504041996 0.50540264166661 15.999 > 17 18 O 0.36421504041996 0.84907577081726 0.49459735833339 15.999 > 18 19 O 0.84907577081726 0.48486073039730 0.99459735833339 15.999 > 19 20 O 0.84907577081726 0.48486073039730 0.50540264166661 15.999 > 20 21 O 0.48486073039730 0.63578495958004 0.49459735833339 15.999 > 21 22 O 0.15092422918274 0.51513926960269 0.00540264166661 15.999 > 22 23 O 0.51513926960269 0.36421504041996 0.99459735833339 15.999 > 23 24 O 0.63578495958004 0.15092422918274 0.50540264166661 15.999 > 24 25 O 0.48486073039730 0.63578495958004 0.00540264166661 15.999 > 25 26 O 0.15092422918274 0.51513926960269 0.49459735833339 15.999 > 26 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.358681282424063 0.000000000000000 0.000000000000000 b -4.679340641212032 8.104855736501166 0.000000000000000 c 0.000000000000000 0.000000000000000 11.072490180000001 Atomic positions (fractional): *1 Pr 0.31156341718410 0.40379548285021 0.37500000000000 140.908 > 1 2 Pr 0.31156341718410 0.40379548285021 0.87500000000000 140.908 > 1 3 Pr 0.68843658281590 0.59620451714978 0.12500000000000 140.908 > 2 4 Pr 0.68843658281590 0.59620451714978 0.62500000000000 140.908 > 2 5 Pr 0.90776793433388 0.31156341718410 0.12500000000000 140.908 > 3 6 Pr 0.90776793433388 0.31156341718410 0.62500000000000 140.908 > 3 7 Pr 0.59620451714978 0.90776793433388 0.37500000000000 140.908 > 4 8 Pr 0.59620451714978 0.90776793433388 0.87500000000000 140.908 > 4 9 Pr 0.40379548285021 0.09223206566612 0.12500000000000 140.908 > 5 10 Pr 0.40379548285021 0.09223206566612 0.62500000000000 140.908 > 5 11 Pr 0.09223206566612 0.68843658281590 0.37500000000000 140.908 > 6 12 Pr 0.09223206566612 0.68843658281590 0.87500000000000 140.908 > 6 *13 U 0.33333333333333 0.66666666666667 0.12500000000000 238.029 > 7 14 U 0.33333333333333 0.66666666666667 0.62500000000000 238.029 > 7 15 U 0.66666666666667 0.33333333333333 0.37500000000000 238.029 > 8 16 U 0.66666666666667 0.33333333333333 0.87500000000000 238.029 > 8 *17 Cl 0.24809808820191 0.05929962149150 0.37500000000000 35.453 > 9 18 Cl 0.24809808820191 0.05929962149150 0.87500000000000 35.453 > 9 19 Cl 0.05929962149150 0.81120153328958 0.12500000000000 35.453 > 10 20 Cl 0.05929962149150 0.81120153328958 0.62500000000000 35.453 > 10 21 Cl 0.75190191179809 0.94070037850850 0.12500000000000 35.453 > 11 22 Cl 0.75190191179809 0.94070037850850 0.62500000000000 35.453 > 11 23 Cl 0.94070037850850 0.18879846671042 0.37500000000000 35.453 > 12 24 Cl 0.94070037850850 0.18879846671042 0.87500000000000 35.453 > 12 25 Cl 0.81120153328958 0.75190191179809 0.37500000000000 35.453 > 13 26 Cl 0.81120153328958 0.75190191179809 0.87500000000000 35.453 > 13 27 Cl 0.18879846671042 0.24809808820191 0.12500000000000 35.453 > 14 28 Cl 0.18879846671042 0.24809808820191 0.62500000000000 35.453 > 14 *29 O 0.36421504041996 0.84907577081726 0.00270132083331 15.999 > 15 30 O 0.36421504041996 0.84907577081726 0.50270132083331 15.999 > 15 31 O 0.63578495958004 0.15092422918274 0.49729867916669 15.999 > 16 32 O 0.63578495958004 0.15092422918274 0.99729867916669 15.999 > 16 33 O 0.51513926960269 0.36421504041996 0.25270132083331 15.999 > 17 34 O 0.51513926960269 0.36421504041996 0.75270132083331 15.999 > 17 35 O 0.36421504041996 0.84907577081726 0.24729867916669 15.999 > 18 36 O 0.36421504041996 0.84907577081726 0.74729867916669 15.999 > 18 37 O 0.84907577081726 0.48486073039730 0.49729867916669 15.999 > 19 38 O 0.84907577081726 0.48486073039730 0.99729867916669 15.999 > 19 39 O 0.84907577081726 0.48486073039730 0.25270132083331 15.999 > 20 40 O 0.84907577081726 0.48486073039730 0.75270132083331 15.999 > 20 41 O 0.48486073039730 0.63578495958004 0.24729867916669 15.999 > 21 42 O 0.48486073039730 0.63578495958004 0.74729867916669 15.999 > 21 43 O 0.15092422918274 0.51513926960269 0.00270132083331 15.999 > 22 44 O 0.15092422918274 0.51513926960269 0.50270132083331 15.999 > 22 45 O 0.51513926960269 0.36421504041996 0.49729867916669 15.999 > 23 46 O 0.51513926960269 0.36421504041996 0.99729867916669 15.999 > 23 47 O 0.63578495958004 0.15092422918274 0.25270132083331 15.999 > 24 48 O 0.63578495958004 0.15092422918274 0.75270132083331 15.999 > 24 49 O 0.48486073039730 0.63578495958004 0.00270132083331 15.999 > 25 50 O 0.48486073039730 0.63578495958004 0.50270132083331 15.999 > 25 51 O 0.15092422918274 0.51513926960269 0.24729867916669 15.999 > 26 52 O 0.15092422918274 0.51513926960269 0.74729867916669 15.999 > 26 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.0990492 0.0000004 0.0000000 -0.0000004 5.0990492 0.0000000 0.0000000 0.0000000 5.3321973 -------------------------- Born effective charges -------------------------- 1 Pr 4.3905003 -0.7613929 0.0000000 -0.5521283 3.9900507 -0.0000000 0.0000000 0.0000000 4.4917996 2 Pr 4.3905003 -0.7613929 0.0000000 -0.5521283 3.9900507 -0.0000000 0.0000000 0.0000000 4.4917996 3 Pr 4.6589345 0.3971477 0.0000000 0.6064123 3.7216166 -0.0000000 0.0000000 0.0000000 4.4917996 4 Pr 3.5213918 0.0503482 0.0000000 0.2596128 4.8591593 -0.0000000 0.0000000 0.0000000 4.4917996 5 Pr 3.5213918 0.0503482 0.0000000 0.2596128 4.8591593 -0.0000000 0.0000000 0.0000000 4.4917996 6 Pr 4.6589345 0.3971477 0.0000000 0.6064123 3.7216166 -0.0000000 0.0000000 0.0000000 4.4917996 7 U 6.0032963 0.2413676 0.0000000 -0.2413676 6.0032963 -0.0000000 0.0000000 0.0000000 6.8754418 8 U 6.0032963 0.2413676 0.0000000 -0.2413676 6.0032963 -0.0000000 0.0000000 0.0000000 6.8754418 9 Cl -0.9808854 0.0538303 0.0000000 0.0848252 -1.9195716 -0.0000000 0.0000000 0.0000000 -1.4345672 10 Cl -1.6248605 -0.4566243 0.0000000 -0.4256294 -1.2755965 -0.0000000 0.0000000 0.0000000 -1.4345672 11 Cl -0.9808854 0.0538303 0.0000000 0.0848252 -1.9195716 -0.0000000 0.0000000 0.0000000 -1.4345672 12 Cl -1.6248605 -0.4566243 0.0000000 -0.4256294 -1.2755965 -0.0000000 0.0000000 0.0000000 -1.4345672 13 Cl -1.7449396 0.3563017 0.0000000 0.3872966 -1.1555174 -0.0000000 0.0000000 0.0000000 -1.4345672 14 Cl -1.7449396 0.3563017 0.0000000 0.3872966 -1.1555174 -0.0000000 0.0000000 0.0000000 -1.4345672 15 O -1.9640045 0.1518524 -0.1110198 0.1121785 -2.7771413 0.8335352 0.0206971 0.9145790 -2.6745232 16 O -1.9640045 0.1518524 -0.1110198 0.1121785 -2.7771413 0.8335352 0.0206971 0.9145790 -2.6745232 17 O -2.6881859 0.3059278 -0.7773726 0.2662539 -2.0529599 0.3206216 -0.7817001 0.4752137 -2.6745232 18 O -1.9640045 0.1518524 0.1110198 0.1121785 -2.7771413 -0.8335352 -0.0206971 -0.9145790 -2.6745232 19 O -2.4595284 -0.3982694 -0.6663528 -0.4379433 -2.2816174 -0.5129136 -0.8023972 -0.4393653 -2.6745232 20 O -2.4595284 -0.3982694 0.6663528 -0.4379433 -2.2816174 0.5129136 0.8023972 0.4393653 -2.6745232 21 O -2.6881859 0.3059278 -0.7773726 0.2662539 -2.0529599 0.3206216 -0.7817001 0.4752137 -2.6745232 22 O -2.4595284 -0.3982694 -0.6663528 -0.4379433 -2.2816174 -0.5129136 -0.8023972 -0.4393653 -2.6745232 23 O -2.6881859 0.3059278 0.7773726 0.2662539 -2.0529599 -0.3206216 0.7817001 -0.4752137 -2.6745232 24 O -1.9640045 0.1518524 0.1110198 0.1121785 -2.7771413 -0.8335352 -0.0206971 -0.9145790 -2.6745232 25 O -2.6881859 0.3059278 0.7773726 0.2662539 -2.0529599 -0.3206216 0.7817001 -0.4752137 -2.6745232 26 O -2.4595284 -0.3982694 0.6663528 -0.4379433 -2.2816174 0.5129136 0.8023972 0.4393653 -2.6745232 ---------------------------------------------------------------------------- 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: 156/156 Permutation basis: 6162/6162 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 536 Number of blocks in projector: 244 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 271 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 73 Use standard eigh solver. Tree of FC basis block matrices: - (536, 515), data: False |-- (73, 69), data: True |-- (192, 188), data: True |-- (271, 258), data: True ----- Solver_atoms: 1 -- 52 / 52 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 320 - Time: 0.201 Solver_block: 200 / 320 - Time: 0.209 Solver_block: 300 / 320 - Time: 0.209 Solver_block: 320 / 320 - Time: 0.054 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.683 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 156/156 Permutation basis: 6162/6162 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 536 Number of blocks in projector: 244 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 271 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 73 Use standard eigh solver. Tree of FC basis block matrices: - (536, 515), data: False |-- (73, 69), data: True |-- (192, 188), data: True |-- (271, 258), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 12:27:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:27:57]------------------------- 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 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3/m (176) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.358681282424063 0.000000000000000 0.000000000000000 b -4.679340641212032 8.104855736501166 0.000000000000000 c 0.000000000000000 0.000000000000000 5.536245090000000 Atomic positions (fractional): 1 Pr 0.31156341718410 0.40379548285021 0.75000000000000 140.908 2 Pr 0.68843658281590 0.59620451714978 0.25000000000000 140.908 3 Pr 0.90776793433388 0.31156341718410 0.25000000000000 140.908 4 Pr 0.59620451714978 0.90776793433388 0.75000000000000 140.908 5 Pr 0.40379548285021 0.09223206566612 0.25000000000000 140.908 6 Pr 0.09223206566612 0.68843658281590 0.75000000000000 140.908 7 U 0.33333333333333 0.66666666666667 0.25000000000000 238.029 8 U 0.66666666666667 0.33333333333333 0.75000000000000 238.029 9 Cl 0.24809808820191 0.05929962149150 0.75000000000000 35.453 10 Cl 0.05929962149150 0.81120153328958 0.25000000000000 35.453 11 Cl 0.75190191179809 0.94070037850850 0.25000000000000 35.453 12 Cl 0.94070037850850 0.18879846671042 0.75000000000000 35.453 13 Cl 0.81120153328958 0.75190191179809 0.75000000000000 35.453 14 Cl 0.18879846671042 0.24809808820191 0.25000000000000 35.453 15 O 0.36421504041996 0.84907577081726 0.00540264166661 15.999 16 O 0.63578495958004 0.15092422918274 0.99459735833339 15.999 17 O 0.51513926960269 0.36421504041996 0.50540264166661 15.999 18 O 0.36421504041996 0.84907577081726 0.49459735833339 15.999 19 O 0.84907577081726 0.48486073039730 0.99459735833339 15.999 20 O 0.84907577081726 0.48486073039730 0.50540264166661 15.999 21 O 0.48486073039730 0.63578495958004 0.49459735833339 15.999 22 O 0.15092422918274 0.51513926960269 0.00540264166661 15.999 23 O 0.51513926960269 0.36421504041996 0.99459735833339 15.999 24 O 0.63578495958004 0.15092422918274 0.50540264166661 15.999 25 O 0.48486073039730 0.63578495958004 0.00540264166661 15.999 26 O 0.15092422918274 0.51513926960269 0.49459735833339 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.358681282424063 0.000000000000000 0.000000000000000 b -4.679340641212032 8.104855736501166 0.000000000000000 c 0.000000000000000 0.000000000000000 11.072490180000001 Atomic positions (fractional): 1 Pr 0.31156341718410 0.40379548285021 0.37500000000000 140.908 > 1 2 Pr 0.31156341718410 0.40379548285021 0.87500000000000 140.908 > 1 3 Pr 0.68843658281590 0.59620451714978 0.12500000000000 140.908 > 3 4 Pr 0.68843658281590 0.59620451714978 0.62500000000000 140.908 > 3 5 Pr 0.90776793433388 0.31156341718410 0.12500000000000 140.908 > 5 6 Pr 0.90776793433388 0.31156341718410 0.62500000000000 140.908 > 5 7 Pr 0.59620451714978 0.90776793433388 0.37500000000000 140.908 > 7 8 Pr 0.59620451714978 0.90776793433388 0.87500000000000 140.908 > 7 9 Pr 0.40379548285021 0.09223206566612 0.12500000000000 140.908 > 9 10 Pr 0.40379548285021 0.09223206566612 0.62500000000000 140.908 > 9 11 Pr 0.09223206566612 0.68843658281590 0.37500000000000 140.908 > 11 12 Pr 0.09223206566612 0.68843658281590 0.87500000000000 140.908 > 11 13 U 0.33333333333333 0.66666666666667 0.12500000000000 238.029 > 13 14 U 0.33333333333333 0.66666666666667 0.62500000000000 238.029 > 13 15 U 0.66666666666667 0.33333333333333 0.37500000000000 238.029 > 15 16 U 0.66666666666667 0.33333333333333 0.87500000000000 238.029 > 15 17 Cl 0.24809808820191 0.05929962149150 0.37500000000000 35.453 > 17 18 Cl 0.24809808820191 0.05929962149150 0.87500000000000 35.453 > 17 19 Cl 0.05929962149150 0.81120153328958 0.12500000000000 35.453 > 19 20 Cl 0.05929962149150 0.81120153328958 0.62500000000000 35.453 > 19 21 Cl 0.75190191179809 0.94070037850850 0.12500000000000 35.453 > 21 22 Cl 0.75190191179809 0.94070037850850 0.62500000000000 35.453 > 21 23 Cl 0.94070037850850 0.18879846671042 0.37500000000000 35.453 > 23 24 Cl 0.94070037850850 0.18879846671042 0.87500000000000 35.453 > 23 25 Cl 0.81120153328958 0.75190191179809 0.37500000000000 35.453 > 25 26 Cl 0.81120153328958 0.75190191179809 0.87500000000000 35.453 > 25 27 Cl 0.18879846671042 0.24809808820191 0.12500000000000 35.453 > 27 28 Cl 0.18879846671042 0.24809808820191 0.62500000000000 35.453 > 27 29 O 0.36421504041996 0.84907577081726 0.00270132083331 15.999 > 29 30 O 0.36421504041996 0.84907577081726 0.50270132083331 15.999 > 29 31 O 0.63578495958004 0.15092422918274 0.49729867916669 15.999 > 31 32 O 0.63578495958004 0.15092422918274 0.99729867916669 15.999 > 31 33 O 0.51513926960269 0.36421504041996 0.25270132083331 15.999 > 33 34 O 0.51513926960269 0.36421504041996 0.75270132083331 15.999 > 33 35 O 0.36421504041996 0.84907577081726 0.24729867916669 15.999 > 35 36 O 0.36421504041996 0.84907577081726 0.74729867916669 15.999 > 35 37 O 0.84907577081726 0.48486073039730 0.49729867916669 15.999 > 37 38 O 0.84907577081726 0.48486073039730 0.99729867916669 15.999 > 37 39 O 0.84907577081726 0.48486073039730 0.25270132083331 15.999 > 39 40 O 0.84907577081726 0.48486073039730 0.75270132083331 15.999 > 39 41 O 0.48486073039730 0.63578495958004 0.24729867916669 15.999 > 41 42 O 0.48486073039730 0.63578495958004 0.74729867916669 15.999 > 41 43 O 0.15092422918274 0.51513926960269 0.00270132083331 15.999 > 43 44 O 0.15092422918274 0.51513926960269 0.50270132083331 15.999 > 43 45 O 0.51513926960269 0.36421504041996 0.49729867916669 15.999 > 45 46 O 0.51513926960269 0.36421504041996 0.99729867916669 15.999 > 45 47 O 0.63578495958004 0.15092422918274 0.25270132083331 15.999 > 47 48 O 0.63578495958004 0.15092422918274 0.75270132083331 15.999 > 47 49 O 0.48486073039730 0.63578495958004 0.00270132083331 15.999 > 49 50 O 0.48486073039730 0.63578495958004 0.50270132083331 15.999 > 49 51 O 0.15092422918274 0.51513926960269 0.24729867916669 15.999 > 51 52 O 0.15092422918274 0.51513926960269 0.74729867916669 15.999 > 51 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.0990492 0.0000004 0.0000000 -0.0000004 5.0990492 0.0000000 0.0000000 0.0000000 5.3321973 -------------------------- Born effective charges -------------------------- 1 Pr 4.3905003 -0.7613929 0.0000000 -0.5521283 3.9900507 -0.0000000 0.0000000 0.0000000 4.4917996 2 Pr 4.3905003 -0.7613929 0.0000000 -0.5521283 3.9900507 -0.0000000 0.0000000 0.0000000 4.4917996 3 Pr 4.6589345 0.3971477 0.0000000 0.6064123 3.7216166 -0.0000000 0.0000000 0.0000000 4.4917996 4 Pr 3.5213918 0.0503482 0.0000000 0.2596128 4.8591593 -0.0000000 0.0000000 0.0000000 4.4917996 5 Pr 3.5213918 0.0503482 0.0000000 0.2596128 4.8591593 -0.0000000 0.0000000 0.0000000 4.4917996 6 Pr 4.6589345 0.3971477 0.0000000 0.6064123 3.7216166 -0.0000000 0.0000000 0.0000000 4.4917996 7 U 6.0032963 0.2413676 0.0000000 -0.2413676 6.0032963 -0.0000000 0.0000000 0.0000000 6.8754418 8 U 6.0032963 0.2413676 0.0000000 -0.2413676 6.0032963 -0.0000000 0.0000000 0.0000000 6.8754418 9 Cl -0.9808854 0.0538303 0.0000000 0.0848252 -1.9195716 -0.0000000 0.0000000 0.0000000 -1.4345672 10 Cl -1.6248605 -0.4566243 0.0000000 -0.4256294 -1.2755965 -0.0000000 0.0000000 0.0000000 -1.4345672 11 Cl -0.9808854 0.0538303 0.0000000 0.0848252 -1.9195716 -0.0000000 0.0000000 0.0000000 -1.4345672 12 Cl -1.6248605 -0.4566243 0.0000000 -0.4256294 -1.2755965 -0.0000000 0.0000000 0.0000000 -1.4345672 13 Cl -1.7449396 0.3563017 0.0000000 0.3872966 -1.1555174 -0.0000000 0.0000000 0.0000000 -1.4345672 14 Cl -1.7449396 0.3563017 0.0000000 0.3872966 -1.1555174 -0.0000000 0.0000000 0.0000000 -1.4345672 15 O -1.9640045 0.1518524 -0.1110198 0.1121785 -2.7771413 0.8335352 0.0206971 0.9145790 -2.6745232 16 O -1.9640045 0.1518524 -0.1110198 0.1121785 -2.7771413 0.8335352 0.0206971 0.9145790 -2.6745232 17 O -2.6881859 0.3059278 -0.7773726 0.2662539 -2.0529599 0.3206216 -0.7817001 0.4752137 -2.6745232 18 O -1.9640045 0.1518524 0.1110198 0.1121785 -2.7771413 -0.8335352 -0.0206971 -0.9145790 -2.6745232 19 O -2.4595284 -0.3982694 -0.6663528 -0.4379433 -2.2816174 -0.5129136 -0.8023972 -0.4393653 -2.6745232 20 O -2.4595284 -0.3982694 0.6663528 -0.4379433 -2.2816174 0.5129136 0.8023972 0.4393653 -2.6745232 21 O -2.6881859 0.3059278 -0.7773726 0.2662539 -2.0529599 0.3206216 -0.7817001 0.4752137 -2.6745232 22 O -2.4595284 -0.3982694 -0.6663528 -0.4379433 -2.2816174 -0.5129136 -0.8023972 -0.4393653 -2.6745232 23 O -2.6881859 0.3059278 0.7773726 0.2662539 -2.0529599 -0.3206216 0.7817001 -0.4752137 -2.6745232 24 O -1.9640045 0.1518524 0.1110198 0.1121785 -2.7771413 -0.8335352 -0.0206971 -0.9145790 -2.6745232 25 O -2.6881859 0.3059278 0.7773726 0.2662539 -2.0529599 -0.3206216 0.7817001 -0.4752137 -2.6745232 26 O -2.4595284 -0.3982694 0.6663528 -0.4379433 -2.2816174 0.5129136 0.8023972 0.4393653 -2.6745232 ---------------------------------------------------------------------------- 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] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 29, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 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: -0.00000006 (zzz) -0.00000006 (zzz) -0.00000006 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (yz) 0.00000001 (yz) 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 12:28:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:28:02]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3/m (176) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.358681282424063 0.000000000000000 0.000000000000000 b -4.679340641212032 8.104855736501166 0.000000000000000 c 0.000000000000000 0.000000000000000 5.536245090000000 Atomic positions (fractional): 1 Pr 0.31156341718410 0.40379548285021 0.75000000000000 140.908 2 Pr 0.68843658281590 0.59620451714978 0.25000000000000 140.908 3 Pr 0.90776793433388 0.31156341718410 0.25000000000000 140.908 4 Pr 0.59620451714978 0.90776793433388 0.75000000000000 140.908 5 Pr 0.40379548285021 0.09223206566612 0.25000000000000 140.908 6 Pr 0.09223206566612 0.68843658281590 0.75000000000000 140.908 7 U 0.33333333333333 0.66666666666667 0.25000000000000 238.029 8 U 0.66666666666667 0.33333333333333 0.75000000000000 238.029 9 Cl 0.24809808820191 0.05929962149150 0.75000000000000 35.453 10 Cl 0.05929962149150 0.81120153328958 0.25000000000000 35.453 11 Cl 0.75190191179809 0.94070037850850 0.25000000000000 35.453 12 Cl 0.94070037850850 0.18879846671042 0.75000000000000 35.453 13 Cl 0.81120153328958 0.75190191179809 0.75000000000000 35.453 14 Cl 0.18879846671042 0.24809808820191 0.25000000000000 35.453 15 O 0.36421504041996 0.84907577081726 0.00540264166661 15.999 16 O 0.63578495958004 0.15092422918274 0.99459735833339 15.999 17 O 0.51513926960269 0.36421504041996 0.50540264166661 15.999 18 O 0.36421504041996 0.84907577081726 0.49459735833339 15.999 19 O 0.84907577081726 0.48486073039730 0.99459735833339 15.999 20 O 0.84907577081726 0.48486073039730 0.50540264166661 15.999 21 O 0.48486073039730 0.63578495958004 0.49459735833339 15.999 22 O 0.15092422918274 0.51513926960269 0.00540264166661 15.999 23 O 0.51513926960269 0.36421504041996 0.99459735833339 15.999 24 O 0.63578495958004 0.15092422918274 0.50540264166661 15.999 25 O 0.48486073039730 0.63578495958004 0.00540264166661 15.999 26 O 0.15092422918274 0.51513926960269 0.49459735833339 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.358681282424063 0.000000000000000 0.000000000000000 b -4.679340641212032 8.104855736501166 0.000000000000000 c 0.000000000000000 0.000000000000000 11.072490180000001 Atomic positions (fractional): 1 Pr 0.31156341718410 0.40379548285021 0.37500000000000 140.908 > 1 2 Pr 0.31156341718410 0.40379548285021 0.87500000000000 140.908 > 1 3 Pr 0.68843658281590 0.59620451714978 0.12500000000000 140.908 > 3 4 Pr 0.68843658281590 0.59620451714978 0.62500000000000 140.908 > 3 5 Pr 0.90776793433388 0.31156341718410 0.12500000000000 140.908 > 5 6 Pr 0.90776793433388 0.31156341718410 0.62500000000000 140.908 > 5 7 Pr 0.59620451714978 0.90776793433388 0.37500000000000 140.908 > 7 8 Pr 0.59620451714978 0.90776793433388 0.87500000000000 140.908 > 7 9 Pr 0.40379548285021 0.09223206566612 0.12500000000000 140.908 > 9 10 Pr 0.40379548285021 0.09223206566612 0.62500000000000 140.908 > 9 11 Pr 0.09223206566612 0.68843658281590 0.37500000000000 140.908 > 11 12 Pr 0.09223206566612 0.68843658281590 0.87500000000000 140.908 > 11 13 U 0.33333333333333 0.66666666666667 0.12500000000000 238.029 > 13 14 U 0.33333333333333 0.66666666666667 0.62500000000000 238.029 > 13 15 U 0.66666666666667 0.33333333333333 0.37500000000000 238.029 > 15 16 U 0.66666666666667 0.33333333333333 0.87500000000000 238.029 > 15 17 Cl 0.24809808820191 0.05929962149150 0.37500000000000 35.453 > 17 18 Cl 0.24809808820191 0.05929962149150 0.87500000000000 35.453 > 17 19 Cl 0.05929962149150 0.81120153328958 0.12500000000000 35.453 > 19 20 Cl 0.05929962149150 0.81120153328958 0.62500000000000 35.453 > 19 21 Cl 0.75190191179809 0.94070037850850 0.12500000000000 35.453 > 21 22 Cl 0.75190191179809 0.94070037850850 0.62500000000000 35.453 > 21 23 Cl 0.94070037850850 0.18879846671042 0.37500000000000 35.453 > 23 24 Cl 0.94070037850850 0.18879846671042 0.87500000000000 35.453 > 23 25 Cl 0.81120153328958 0.75190191179809 0.37500000000000 35.453 > 25 26 Cl 0.81120153328958 0.75190191179809 0.87500000000000 35.453 > 25 27 Cl 0.18879846671042 0.24809808820191 0.12500000000000 35.453 > 27 28 Cl 0.18879846671042 0.24809808820191 0.62500000000000 35.453 > 27 29 O 0.36421504041996 0.84907577081726 0.00270132083331 15.999 > 29 30 O 0.36421504041996 0.84907577081726 0.50270132083331 15.999 > 29 31 O 0.63578495958004 0.15092422918274 0.49729867916669 15.999 > 31 32 O 0.63578495958004 0.15092422918274 0.99729867916669 15.999 > 31 33 O 0.51513926960269 0.36421504041996 0.25270132083331 15.999 > 33 34 O 0.51513926960269 0.36421504041996 0.75270132083331 15.999 > 33 35 O 0.36421504041996 0.84907577081726 0.24729867916669 15.999 > 35 36 O 0.36421504041996 0.84907577081726 0.74729867916669 15.999 > 35 37 O 0.84907577081726 0.48486073039730 0.49729867916669 15.999 > 37 38 O 0.84907577081726 0.48486073039730 0.99729867916669 15.999 > 37 39 O 0.84907577081726 0.48486073039730 0.25270132083331 15.999 > 39 40 O 0.84907577081726 0.48486073039730 0.75270132083331 15.999 > 39 41 O 0.48486073039730 0.63578495958004 0.24729867916669 15.999 > 41 42 O 0.48486073039730 0.63578495958004 0.74729867916669 15.999 > 41 43 O 0.15092422918274 0.51513926960269 0.00270132083331 15.999 > 43 44 O 0.15092422918274 0.51513926960269 0.50270132083331 15.999 > 43 45 O 0.51513926960269 0.36421504041996 0.49729867916669 15.999 > 45 46 O 0.51513926960269 0.36421504041996 0.99729867916669 15.999 > 45 47 O 0.63578495958004 0.15092422918274 0.25270132083331 15.999 > 47 48 O 0.63578495958004 0.15092422918274 0.75270132083331 15.999 > 47 49 O 0.48486073039730 0.63578495958004 0.00270132083331 15.999 > 49 50 O 0.48486073039730 0.63578495958004 0.50270132083331 15.999 > 49 51 O 0.15092422918274 0.51513926960269 0.24729867916669 15.999 > 51 52 O 0.15092422918274 0.51513926960269 0.74729867916669 15.999 > 51 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.0990492 0.0000004 0.0000000 -0.0000004 5.0990492 0.0000000 0.0000000 0.0000000 5.3321973 -------------------------- Born effective charges -------------------------- 1 Pr 4.3905003 -0.7613929 0.0000000 -0.5521283 3.9900507 -0.0000000 0.0000000 0.0000000 4.4917996 2 Pr 4.3905003 -0.7613929 0.0000000 -0.5521283 3.9900507 -0.0000000 0.0000000 0.0000000 4.4917996 3 Pr 4.6589345 0.3971477 0.0000000 0.6064123 3.7216166 -0.0000000 0.0000000 0.0000000 4.4917996 4 Pr 3.5213918 0.0503482 0.0000000 0.2596128 4.8591593 -0.0000000 0.0000000 0.0000000 4.4917996 5 Pr 3.5213918 0.0503482 0.0000000 0.2596128 4.8591593 -0.0000000 0.0000000 0.0000000 4.4917996 6 Pr 4.6589345 0.3971477 0.0000000 0.6064123 3.7216166 -0.0000000 0.0000000 0.0000000 4.4917996 7 U 6.0032963 0.2413676 0.0000000 -0.2413676 6.0032963 -0.0000000 0.0000000 0.0000000 6.8754418 8 U 6.0032963 0.2413676 0.0000000 -0.2413676 6.0032963 -0.0000000 0.0000000 0.0000000 6.8754418 9 Cl -0.9808854 0.0538303 0.0000000 0.0848252 -1.9195716 -0.0000000 0.0000000 0.0000000 -1.4345672 10 Cl -1.6248605 -0.4566243 0.0000000 -0.4256294 -1.2755965 -0.0000000 0.0000000 0.0000000 -1.4345672 11 Cl -0.9808854 0.0538303 0.0000000 0.0848252 -1.9195716 -0.0000000 0.0000000 0.0000000 -1.4345672 12 Cl -1.6248605 -0.4566243 0.0000000 -0.4256294 -1.2755965 -0.0000000 0.0000000 0.0000000 -1.4345672 13 Cl -1.7449396 0.3563017 0.0000000 0.3872966 -1.1555174 -0.0000000 0.0000000 0.0000000 -1.4345672 14 Cl -1.7449396 0.3563017 0.0000000 0.3872966 -1.1555174 -0.0000000 0.0000000 0.0000000 -1.4345672 15 O -1.9640045 0.1518524 -0.1110198 0.1121785 -2.7771413 0.8335352 0.0206971 0.9145790 -2.6745232 16 O -1.9640045 0.1518524 -0.1110198 0.1121785 -2.7771413 0.8335352 0.0206971 0.9145790 -2.6745232 17 O -2.6881859 0.3059278 -0.7773726 0.2662539 -2.0529599 0.3206216 -0.7817001 0.4752137 -2.6745232 18 O -1.9640045 0.1518524 0.1110198 0.1121785 -2.7771413 -0.8335352 -0.0206971 -0.9145790 -2.6745232 19 O -2.4595284 -0.3982694 -0.6663528 -0.4379433 -2.2816174 -0.5129136 -0.8023972 -0.4393653 -2.6745232 20 O -2.4595284 -0.3982694 0.6663528 -0.4379433 -2.2816174 0.5129136 0.8023972 0.4393653 -2.6745232 21 O -2.6881859 0.3059278 -0.7773726 0.2662539 -2.0529599 0.3206216 -0.7817001 0.4752137 -2.6745232 22 O -2.4595284 -0.3982694 -0.6663528 -0.4379433 -2.2816174 -0.5129136 -0.8023972 -0.4393653 -2.6745232 23 O -2.6881859 0.3059278 0.7773726 0.2662539 -2.0529599 -0.3206216 0.7817001 -0.4752137 -2.6745232 24 O -1.9640045 0.1518524 0.1110198 0.1121785 -2.7771413 -0.8335352 -0.0206971 -0.9145790 -2.6745232 25 O -2.6881859 0.3059278 0.7773726 0.2662539 -2.0529599 -0.3206216 0.7817001 -0.4752137 -2.6745232 26 O -2.4595284 -0.3982694 0.6663528 -0.4379433 -2.2816174 0.5129136 0.8023972 0.4393653 -2.6745232 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000006 (zzz) -0.00000006 (zzz) -0.00000006 (zzz) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 6 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: 0.55, Number of G-points: 271, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/40) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 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 2.238 ( 0.000 0.000 0.000) 0.000 2.238 ( 0.000 0.000 0.000) 0.000 2.286 ( 0.000 0.000 0.000) 0.000 2.600 ( 0.000 0.000 0.000) 0.000 2.600 ( 0.000 0.000 0.000) 0.000 2.769 ( 0.000 0.000 0.000) 0.000 2.783 ( 0.000 0.000 0.000) 0.000 2.783 ( 0.000 0.000 0.000) 0.000 2.942 ( 0.000 0.000 0.000) 0.000 3.052 ( 0.000 0.000 0.000) 0.000 3.052 ( 0.000 0.000 0.000) 0.000 3.337 ( 0.000 0.000 0.000) 0.000 3.337 ( 0.000 0.000 0.000) 0.000 3.498 ( 0.000 0.000 0.000) 0.000 3.523 ( 0.000 0.000 0.000) 0.000 3.523 ( 0.000 0.000 0.000) 0.000 3.935 ( 0.000 0.000 0.000) 0.000 3.935 ( 0.000 0.000 0.000) 0.000 4.099 ( 0.000 0.000 0.000) 0.000 4.239 ( 0.000 0.000 0.000) 0.000 4.284 ( 0.000 0.000 0.000) 0.000 4.330 ( 0.000 0.000 0.000) 0.000 4.330 ( 0.000 0.000 0.000) 0.000 4.559 ( 0.000 0.000 0.000) 0.000 4.654 ( 0.000 0.000 0.000) 0.000 4.679 ( 0.000 0.000 0.000) 0.000 4.679 ( 0.000 0.000 0.000) 0.000 4.814 ( 0.000 0.000 0.000) 0.000 4.814 ( 0.000 0.000 0.000) 0.000 5.147 ( 0.000 0.000 0.000) 0.000 5.147 ( 0.000 0.000 0.000) 0.000 5.427 ( 0.000 0.000 0.000) 0.000 5.541 ( 0.000 0.000 0.000) 0.000 5.765 ( 0.000 0.000 0.000) 0.000 5.769 ( 0.000 0.000 0.000) 0.000 5.967 ( 0.000 0.000 0.000) 0.000 5.967 ( 0.000 0.000 0.000) 0.000 6.037 ( 0.000 0.000 0.000) 0.000 6.037 ( 0.000 0.000 0.000) 0.000 6.261 ( 0.000 0.000 0.000) 0.000 6.261 ( 0.000 0.000 0.000) 0.000 6.510 ( 0.000 0.000 0.000) 0.000 6.510 ( 0.000 0.000 0.000) 0.000 6.909 ( 0.000 0.000 0.000) 0.000 8.823 ( 0.000 0.000 0.000) 0.000 8.967 ( 0.000 0.000 0.000) 0.000 9.193 ( 0.000 0.000 0.000) 0.000 9.193 ( 0.000 0.000 0.000) 0.000 9.776 ( 0.000 0.000 0.000) 0.000 9.776 ( 0.000 0.000 0.000) 0.000 9.843 ( 0.000 0.000 0.000) 0.000 10.248 ( 0.000 0.000 0.000) 0.000 10.462 ( 0.000 0.000 0.000) 0.000 10.786 ( 0.000 0.000 0.000) 0.000 10.786 ( 0.000 0.000 0.000) 0.000 11.796 ( 0.000 0.000 0.000) 0.000 11.796 ( 0.000 0.000 0.000) 0.000 12.207 ( 0.000 0.000 0.000) 0.000 12.207 ( 0.000 0.000 0.000) 0.000 12.553 ( 0.000 0.000 0.000) 0.000 12.553 ( 0.000 0.000 0.000) 0.000 13.724 ( 0.000 0.000 0.000) 0.000 13.790 ( 0.000 0.000 0.000) 0.000 13.790 ( 0.000 0.000 0.000) 0.000 14.616 ( 0.000 0.000 0.000) 0.000 14.616 ( 0.000 0.000 0.000) 0.000 14.996 ( 0.000 0.000 0.000) 0.000 15.184 ( 0.000 0.000 0.000) 0.000 15.683 ( 0.000 0.000 0.000) 0.000 15.683 ( 0.000 0.000 0.000) 0.000 16.358 ( 0.000 0.000 0.000) 0.000 17.462 ( 0.000 0.000 0.000) 0.000 17.462 ( 0.000 0.000 0.000) 0.000 20.884 ( 0.000 0.000 0.000) 0.000 21.054 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/40) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.467 ( 19.015 10.964 0.000) 21.949 0.492 ( 20.199 11.662 0.000) 23.324 0.954 ( 38.430 22.161 0.000) 44.362 2.146 ( -10.083 -5.820 0.000) 11.642 2.225 ( -1.675 -0.002 0.000) 1.675 2.256 ( 1.798 0.051 0.000) 1.798 2.544 ( -3.580 -3.335 0.000) 4.893 2.627 ( -10.174 -2.593 0.000) 10.499 2.777 ( -0.425 -0.318 0.000) 0.531 2.837 ( -3.269 -4.928 0.000) 5.914 2.878 ( 6.256 3.709 0.000) 7.272 3.008 ( 2.551 0.241 0.000) 2.562 3.101 ( 2.058 4.784 0.000) 5.208 3.195 ( 8.416 3.715 0.000) 9.200 3.265 ( -3.684 -2.120 0.000) 4.250 3.324 ( -0.987 -0.631 0.000) 1.171 3.477 ( -2.884 -2.194 0.000) 3.623 3.552 ( 1.537 1.285 0.000) 2.003 3.585 ( 5.135 2.995 0.000) 5.944 3.890 ( -4.898 -2.610 0.000) 5.549 4.012 ( -5.028 -2.451 0.000) 5.594 4.073 ( -0.885 -1.204 0.000) 1.494 4.147 ( -5.880 -3.519 0.000) 6.853 4.277 ( 3.277 1.958 0.000) 3.818 4.314 ( -1.518 -0.352 0.000) 1.558 4.467 ( 4.743 1.924 0.000) 5.118 4.566 ( -2.818 -3.751 0.000) 4.692 4.570 ( -5.348 -2.670 0.000) 5.978 4.651 ( 2.262 3.096 0.000) 3.834 4.767 ( -4.716 0.793 0.000) 4.782 4.824 ( 1.027 -2.351 0.000) 2.565 5.115 ( -0.988 -1.045 0.000) 1.438 5.132 ( -1.224 -0.537 0.000) 1.337 5.165 ( 1.375 0.615 0.000) 1.506 5.424 ( -0.452 -0.155 0.000) 0.478 5.511 ( -2.688 -1.590 0.000) 3.123 5.772 ( 1.218 0.750 0.000) 1.430 5.778 ( 0.882 0.535 0.000) 1.032 5.970 ( 0.274 0.096 0.000) 0.290 6.047 ( 0.684 0.585 0.000) 0.900 6.048 ( -10.616 -5.909 0.000) 12.150 6.096 ( 4.071 2.243 0.000) 4.648 6.148 ( -6.094 -3.601 0.000) 7.079 6.588 ( 3.484 -0.661 0.000) 3.546 6.611 ( 4.182 5.030 0.000) 6.541 6.693 ( -2.659 -1.547 0.000) 3.076 7.163 ( 18.132 10.431 0.000) 20.918 8.754 ( -5.718 -3.301 0.000) 6.602 9.001 ( 2.471 1.478 0.000) 2.880 9.202 ( 1.131 0.565 0.000) 1.264 9.775 ( -5.430 -3.128 0.000) 6.267 9.784 ( 0.649 0.374 0.000) 0.749 9.854 ( 5.953 3.438 0.000) 6.875 10.231 ( -1.296 -0.759 0.000) 1.502 10.452 ( -0.602 -0.324 0.000) 0.684 10.759 ( -2.226 -1.428 0.000) 2.645 10.777 ( -0.662 -0.253 0.000) 0.709 11.115 ( 2.724 1.644 0.000) 3.182 11.769 ( -2.432 -1.364 0.000) 2.788 11.784 ( -0.974 -0.557 0.000) 1.122 12.199 ( -0.044 -0.925 0.000) 0.926 12.238 ( 2.447 2.253 0.000) 3.326 12.549 ( -0.335 -0.195 0.000) 0.387 12.640 ( 7.119 4.111 0.000) 8.221 13.418 ( -14.099 -8.173 0.000) 16.297 13.920 ( 5.428 3.167 0.000) 6.284 14.089 ( 13.563 7.838 0.000) 15.665 14.358 ( -16.830 -9.717 0.000) 19.434 14.620 ( 0.309 0.179 0.000) 0.357 14.969 ( -2.291 -1.444 0.000) 2.708 15.392 ( 12.776 7.376 0.000) 14.753 15.701 ( 1.553 0.979 0.000) 1.836 16.323 ( -2.903 -1.676 0.000) 3.353 17.266 ( -12.973 -6.943 0.000) 14.714 17.489 ( 2.409 0.581 0.000) 2.478 17.832 ( 4.365 2.783 0.000) 5.177 20.903 ( 1.478 0.860 0.000) 1.710 21.054 ( -0.061 -0.035 0.000) 0.071 ======================= Grid point 2 (3/40) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 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| 0.876 ( 14.500 8.328 0.000) 16.721 0.943 ( 17.168 9.915 0.000) 19.826 1.755 ( 26.849 14.346 0.000) 30.441 1.867 ( -12.542 -7.238 0.000) 14.481 2.148 ( -7.507 -0.305 0.000) 7.514 2.306 ( 6.013 -1.554 0.000) 6.211 2.448 ( -4.384 -1.935 0.000) 4.792 2.465 ( -4.512 2.073 0.000) 4.965 2.747 ( -0.893 -4.786 0.000) 4.869 2.764 ( -0.446 -0.521 0.000) 0.686 3.017 ( 4.102 3.175 0.000) 5.187 3.047 ( 1.936 0.583 0.000) 2.022 3.209 ( 4.087 4.675 0.000) 6.210 3.214 ( 0.016 -0.507 0.000) 0.507 3.294 ( -1.232 -0.952 0.000) 1.557 3.345 ( 1.458 1.741 0.000) 2.271 3.416 ( 0.975 -2.135 0.000) 2.347 3.528 ( -7.196 -2.554 0.000) 7.636 3.700 ( 4.192 2.714 0.000) 4.994 3.736 ( -4.242 -3.402 0.000) 5.437 3.876 ( -6.394 -1.692 0.000) 6.614 4.018 ( -4.861 -3.407 0.000) 5.936 4.050 ( 0.202 -1.728 0.000) 1.740 4.276 ( -3.587 2.475 0.000) 4.359 4.336 ( -2.288 1.006 0.000) 2.499 4.361 ( -4.622 -7.591 0.000) 8.887 4.487 ( 3.674 -2.492 0.000) 4.439 4.608 ( 2.825 2.539 0.000) 3.798 4.695 ( -3.579 0.394 0.000) 3.600 4.767 ( -2.443 -1.631 0.000) 2.937 4.798 ( 4.356 5.283 0.000) 6.848 5.061 ( -2.102 -4.193 0.000) 4.691 5.103 ( -1.313 -0.120 0.000) 1.318 5.200 ( 1.950 0.316 0.000) 1.975 5.411 ( -0.654 0.183 0.000) 0.679 5.419 ( -4.293 -2.640 0.000) 5.040 5.800 ( 1.012 0.638 0.000) 1.196 5.841 ( 3.744 2.019 0.000) 4.254 5.876 ( -4.364 -1.313 0.000) 4.557 5.970 ( -0.611 0.098 0.000) 0.619 6.036 ( -2.770 -2.365 0.000) 3.642 6.068 ( 1.068 0.028 0.000) 1.068 6.190 ( 3.238 2.246 0.000) 3.941 6.609 ( -3.806 -2.267 0.000) 4.430 6.620 ( 1.566 -0.923 0.000) 1.818 6.705 ( 1.691 2.739 0.000) 3.219 7.627 ( 19.087 10.953 0.000) 22.007 8.559 ( -10.303 -5.941 0.000) 11.893 9.055 ( 1.342 0.978 0.000) 1.661 9.269 ( 5.040 2.508 0.000) 5.630 9.611 ( -7.830 -4.403 0.000) 8.983 9.802 ( 0.718 0.412 0.000) 0.828 10.010 ( 5.986 3.500 0.000) 6.934 10.194 ( -1.601 -1.089 0.000) 1.937 10.454 ( 1.171 1.020 0.000) 1.553 10.679 ( -4.029 -2.845 0.000) 4.932 10.764 ( -0.541 -0.013 0.000) 0.541 11.195 ( 3.415 2.223 0.000) 4.075 11.683 ( -4.233 -2.424 0.000) 4.878 11.757 ( -1.024 -0.587 0.000) 1.180 12.194 ( 0.384 -0.703 0.000) 0.801 12.345 ( 5.417 4.030 0.000) 6.751 12.540 ( -0.326 -0.191 0.000) 0.378 12.867 ( 11.046 6.381 0.000) 12.756 13.100 ( -11.845 -7.016 0.000) 13.767 13.941 ( -16.757 -9.675 0.000) 19.350 14.062 ( 5.394 3.180 0.000) 6.262 14.396 ( 11.689 6.979 0.000) 13.613 14.628 ( 0.305 0.176 0.000) 0.353 14.881 ( -4.684 -3.296 0.000) 5.727 15.682 ( 10.741 6.201 0.000) 12.402 15.757 ( 2.634 1.824 0.000) 3.204 16.226 ( -4.968 -2.868 0.000) 5.736 16.957 ( -11.833 -6.402 0.000) 13.453 17.545 ( 2.681 0.653 0.000) 2.760 17.903 ( 1.315 1.211 0.000) 1.788 20.946 ( 1.810 1.068 0.000) 2.101 21.049 ( -0.375 -0.221 0.000) 0.435 ======================= Grid point 3 (4/40) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( 0.000 0.000 0.000) 0.000 1.211 ( 0.000 -0.000 0.000) 0.000 1.654 ( 0.000 0.000 0.000) 0.000 2.030 ( -0.000 0.000 0.000) 0.000 2.073 ( 0.000 -0.000 0.000) 0.000 2.381 ( 0.000 0.000 0.000) 0.000 2.424 ( 0.000 0.000 0.000) 0.000 2.459 ( 0.000 -0.000 0.000) 0.000 2.724 ( 0.000 0.000 0.000) 0.000 2.756 ( 0.000 0.000 0.000) 0.000 3.068 ( 0.000 0.000 0.000) 0.000 3.125 ( 0.000 0.000 0.000) 0.000 3.213 ( 0.000 0.000 0.000) 0.000 3.232 ( -0.000 -0.000 0.000) 0.000 3.270 ( 0.000 0.000 0.000) 0.000 3.326 ( 0.000 0.000 0.000) 0.000 3.354 ( 0.000 0.000 0.000) 0.000 3.474 ( 0.000 0.000 0.000) 0.000 3.702 ( 0.000 0.000 0.000) 0.000 3.769 ( 0.000 0.000 0.000) 0.000 3.799 ( 0.000 0.000 0.000) 0.000 3.931 ( 0.000 0.000 0.000) 0.000 4.046 ( 0.000 0.000 0.000) 0.000 4.264 ( -0.000 0.000 0.000) 0.000 4.265 ( 0.000 -0.000 0.000) 0.000 4.288 ( 0.000 0.000 0.000) 0.000 4.598 ( -0.000 0.000 0.000) 0.000 4.617 ( 0.000 0.000 0.000) 0.000 4.647 ( 0.000 0.000 0.000) 0.000 4.700 ( 0.000 0.000 0.000) 0.000 4.949 ( -0.000 -0.000 0.000) 0.000 4.955 ( 0.000 0.000 0.000) 0.000 5.090 ( 0.000 0.000 0.000) 0.000 5.229 ( 0.000 0.000 0.000) 0.000 5.352 ( 0.000 0.000 0.000) 0.000 5.407 ( 0.000 0.000 0.000) 0.000 5.814 ( 0.000 0.000 0.000) 0.000 5.838 ( 0.000 0.000 0.000) 0.000 5.903 ( 0.000 0.000 0.000) 0.000 5.955 ( 0.000 0.000 0.000) 0.000 5.999 ( 0.000 0.000 0.000) 0.000 6.078 ( 0.000 0.000 0.000) 0.000 6.236 ( 0.000 0.000 0.000) 0.000 6.552 ( 0.000 0.000 0.000) 0.000 6.629 ( 0.000 0.000 0.000) 0.000 6.732 ( 0.000 0.000 0.000) 0.000 7.930 ( 0.000 0.000 0.000) 0.000 8.365 ( 0.000 -0.000 0.000) 0.000 9.069 ( 0.000 0.000 0.000) 0.000 9.409 ( -0.000 -0.000 0.000) 0.000 9.438 ( 0.000 0.000 0.000) 0.000 9.811 ( 0.000 0.000 0.000) 0.000 10.091 ( 0.000 0.000 0.000) 0.000 10.166 ( 0.000 0.000 0.000) 0.000 10.502 ( 0.000 0.000 0.000) 0.000 10.595 ( 0.000 0.000 0.000) 0.000 10.759 ( 0.000 0.000 0.000) 0.000 11.247 ( 0.000 0.000 0.000) 0.000 11.619 ( 0.000 0.000 0.000) 0.000 11.744 ( 0.000 0.000 0.000) 0.000 12.194 ( 0.000 0.000 0.000) 0.000 12.443 ( 0.000 0.000 0.000) 0.000 12.536 ( 0.000 0.000 0.000) 0.000 12.929 ( 0.000 0.000 0.000) 0.000 13.051 ( 0.000 0.000 0.000) 0.000 13.689 ( 0.000 0.000 0.000) 0.000 14.133 ( 0.000 0.000 0.000) 0.000 14.580 ( 0.000 0.000 0.000) 0.000 14.632 ( 0.000 0.000 0.000) 0.000 14.782 ( 0.000 0.000 0.000) 0.000 15.800 ( 0.000 0.000 0.000) 0.000 15.839 ( 0.000 0.000 0.000) 0.000 16.139 ( 0.000 -0.000 0.000) 0.000 16.800 ( 0.000 0.000 0.000) 0.000 17.576 ( 0.000 0.000 0.000) 0.000 17.917 ( 0.000 0.000 0.000) 0.000 20.972 ( 0.000 0.000 0.000) 0.000 21.041 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 8 (5/40) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( 11.603 20.148 0.000) 23.250 0.831 ( 10.732 18.584 0.000) 21.460 1.529 ( 15.408 27.469 0.000) 31.495 1.948 ( -7.096 -12.297 0.000) 14.198 2.200 ( 2.297 -4.322 0.000) 4.894 2.279 ( -3.486 3.837 0.000) 5.184 2.424 ( -1.413 -3.811 0.000) 4.065 2.585 ( 3.001 -6.390 0.000) 7.059 2.719 ( -8.871 -2.344 0.000) 9.175 2.758 ( -0.998 -1.363 0.000) 1.690 2.995 ( 4.107 6.166 0.000) 7.408 3.005 ( 0.554 0.600 0.000) 0.816 3.192 ( 4.026 4.238 0.000) 5.845 3.220 ( -0.993 -1.222 0.000) 1.575 3.301 ( -1.023 -1.401 0.000) 1.735 3.333 ( 4.331 6.504 0.000) 7.814 3.465 ( -2.775 0.288 0.000) 2.789 3.544 ( 1.089 -2.038 0.000) 2.310 3.672 ( 2.931 4.733 0.000) 5.567 3.784 ( -3.863 -5.706 0.000) 6.890 3.927 ( -1.664 -8.708 0.000) 8.865 3.994 ( -5.027 -3.191 0.000) 5.954 4.061 ( -2.823 -3.881 0.000) 4.800 4.247 ( -2.098 -7.011 0.000) 7.318 4.342 ( 2.851 2.840 0.000) 4.025 4.461 ( -4.898 -2.210 0.000) 5.373 4.546 ( -7.171 0.724 0.000) 7.208 4.555 ( 3.246 1.755 0.000) 3.690 4.659 ( 6.397 -5.636 0.000) 8.526 4.742 ( -1.401 0.338 0.000) 1.441 4.775 ( 0.177 0.818 0.000) 0.837 5.122 ( 0.526 -0.341 0.000) 0.627 5.124 ( -1.559 0.730 0.000) 1.721 5.185 ( -0.001 1.439 0.000) 1.439 5.401 ( -0.681 -2.237 0.000) 2.339 5.440 ( -3.016 -4.940 0.000) 5.788 5.796 ( 0.767 1.243 0.000) 1.460 5.815 ( 1.945 3.454 0.000) 3.964 5.923 ( -1.523 -4.540 0.000) 4.789 5.970 ( 0.165 -0.150 0.000) 0.223 6.074 ( -2.479 -3.094 0.000) 3.964 6.075 ( 0.733 2.006 0.000) 2.136 6.167 ( 2.573 3.892 0.000) 4.666 6.443 ( -4.028 -6.200 0.000) 7.393 6.625 ( -2.825 -4.799 0.000) 5.569 6.854 ( 6.333 10.324 0.000) 12.112 7.480 ( 10.671 18.622 0.000) 21.463 8.621 ( -5.524 -9.576 0.000) 11.055 9.072 ( 2.881 4.517 0.000) 5.357 9.217 ( 0.507 1.604 0.000) 1.683 9.659 ( -4.326 -7.614 0.000) 8.757 9.799 ( 0.547 0.952 0.000) 1.097 9.967 ( 3.783 6.518 0.000) 7.536 10.203 ( -1.141 -1.798 0.000) 2.130 10.450 ( 0.565 0.597 0.000) 0.822 10.719 ( -2.099 -2.390 0.000) 3.181 10.753 ( -0.497 -1.873 0.000) 1.938 11.181 ( 2.777 4.422 0.000) 5.221 11.699 ( -2.921 -5.133 0.000) 5.906 11.763 ( -0.818 -1.418 0.000) 1.637 12.205 ( -0.457 1.254 0.000) 1.335 12.306 ( 3.933 4.867 0.000) 6.258 12.540 ( -0.313 -0.537 0.000) 0.622 12.803 ( 6.508 11.267 0.000) 13.012 13.169 ( -8.283 -14.108 0.000) 16.360 14.039 ( 4.295 7.323 0.000) 8.489 14.045 ( -10.659 -18.461 0.000) 21.317 14.314 ( 7.209 12.255 0.000) 14.218 14.628 ( 0.263 0.456 0.000) 0.527 14.915 ( -2.711 -3.887 0.000) 4.739 15.613 ( 7.007 12.136 0.000) 14.014 15.732 ( 1.458 2.062 0.000) 2.525 16.255 ( -2.765 -4.788 0.000) 5.529 17.143 ( -4.067 -8.895 0.000) 9.781 17.392 ( -3.065 -2.869 0.000) 4.199 17.922 ( 2.339 3.471 0.000) 4.185 20.935 ( 1.200 2.044 0.000) 2.371 21.051 ( -0.198 -0.338 0.000) 0.391 ======================= Grid point 9 (6/40) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( 2.348 18.521 0.000) 18.670 1.189 ( 8.894 13.019 0.000) 15.767 1.681 ( -7.774 -10.322 0.000) 12.922 1.882 ( 9.862 -0.269 0.000) 9.866 2.067 ( -5.297 -9.787 0.000) 11.129 2.406 ( 5.487 6.897 0.000) 8.814 2.443 ( 1.058 2.730 0.000) 2.928 2.522 ( -8.342 1.625 0.000) 8.498 2.642 ( 6.209 -2.149 0.000) 6.571 2.730 ( 0.350 -2.198 0.000) 2.225 3.058 ( 4.264 3.590 0.000) 5.574 3.108 ( 0.599 4.853 0.000) 4.890 3.212 ( 0.956 0.322 0.000) 1.009 3.267 ( -0.689 -1.696 0.000) 1.831 3.287 ( 1.107 1.501 0.000) 1.865 3.371 ( -6.127 0.692 0.000) 6.166 3.451 ( -7.277 -2.533 0.000) 7.705 3.468 ( 1.064 4.292 0.000) 4.422 3.693 ( -0.041 -1.256 0.000) 1.256 3.775 ( 2.637 4.691 0.000) 5.382 3.794 ( -1.967 -6.723 0.000) 7.005 3.926 ( 3.411 -7.386 0.000) 8.135 3.964 ( -4.703 -1.528 0.000) 4.946 4.127 ( 1.065 -10.831 0.000) 10.883 4.375 ( -4.143 2.654 0.000) 4.920 4.400 ( -3.768 5.492 0.000) 6.660 4.508 ( 4.054 2.699 0.000) 4.870 4.599 ( 2.543 -3.174 0.000) 4.067 4.634 ( -1.934 -4.713 0.000) 5.095 4.665 ( 0.689 -6.051 0.000) 6.090 4.938 ( 6.070 6.633 0.000) 8.991 5.050 ( -7.325 1.924 0.000) 7.573 5.134 ( -1.579 2.799 0.000) 3.214 5.203 ( 1.825 0.092 0.000) 1.828 5.340 ( -1.625 -4.465 0.000) 4.751 5.369 ( 0.990 -4.020 0.000) 4.140 5.820 ( 0.241 1.085 0.000) 1.112 5.889 ( -2.008 1.695 0.000) 2.628 5.890 ( 1.963 2.668 0.000) 3.312 5.966 ( -0.469 -0.675 0.000) 0.822 6.018 ( -2.058 1.433 0.000) 2.508 6.103 ( -0.366 2.872 0.000) 2.896 6.250 ( 1.262 3.829 0.000) 4.032 6.353 ( 5.371 -13.550 0.000) 14.576 6.518 ( -1.202 -6.386 0.000) 6.498 6.996 ( -3.873 13.146 0.000) 13.705 7.863 ( 11.682 11.841 0.000) 16.634 8.381 ( -7.434 -11.175 0.000) 13.421 9.138 ( -2.716 6.628 0.000) 7.163 9.301 ( 7.887 0.886 0.000) 7.936 9.486 ( -5.807 -7.572 0.000) 9.542 9.816 ( 0.151 0.826 0.000) 0.840 10.078 ( 2.508 2.609 0.000) 3.619 10.161 ( -0.993 -1.936 0.000) 2.176 10.505 ( 2.482 3.908 0.000) 4.629 10.632 ( -4.539 -1.493 0.000) 4.778 10.733 ( 0.941 -2.917 0.000) 3.065 11.280 ( 1.071 5.898 0.000) 5.994 11.585 ( -1.380 -6.785 0.000) 6.923 11.738 ( -0.231 -1.076 0.000) 1.100 12.214 ( -0.520 2.022 0.000) 2.087 12.452 ( 3.737 6.909 0.000) 7.855 12.531 ( 0.003 -0.548 0.000) 0.548 12.896 ( -4.797 -11.963 0.000) 12.889 13.063 ( 6.292 12.358 0.000) 13.868 13.678 ( -7.967 -15.009 0.000) 16.992 14.168 ( 1.027 6.041 0.000) 6.128 14.552 ( 6.544 7.291 0.000) 9.797 14.635 ( 0.029 0.412 0.000) 0.413 14.799 ( -4.259 -4.672 0.000) 6.322 15.785 ( 1.716 1.049 0.000) 2.011 15.838 ( 4.844 8.283 0.000) 9.595 16.139 ( -3.200 -5.493 0.000) 6.357 16.950 ( -11.038 4.793 0.000) 12.033 17.385 ( 8.619 -12.541 0.000) 15.217 17.963 ( -0.797 2.610 0.000) 2.729 20.976 ( 0.752 1.805 0.000) 1.955 21.039 ( -0.304 -0.823 0.000) 0.878 ======================= Grid point 10 (7/40) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( -17.182 7.195 0.000) 18.628 1.189 ( -15.723 -1.192 0.000) 15.768 1.681 ( 12.823 1.571 0.000) 12.919 1.903 ( -3.953 -10.467 0.000) 11.189 2.049 ( 9.543 1.291 0.000) 9.630 2.385 ( -5.790 0.506 0.000) 5.812 2.452 ( -2.557 -0.472 0.000) 2.600 2.488 ( -3.382 5.622 0.000) 6.561 2.693 ( 3.320 -4.928 0.000) 5.942 2.731 ( 1.899 -1.481 0.000) 2.408 3.066 ( -5.758 -2.656 0.000) 6.341 3.094 ( -4.858 2.041 0.000) 5.270 3.228 ( -1.024 -0.746 0.000) 1.267 3.267 ( 2.428 -0.306 0.000) 2.448 3.280 ( -3.145 1.350 0.000) 3.423 3.380 ( -0.769 3.597 0.000) 3.678 3.397 ( 7.821 5.982 0.000) 9.846 3.504 ( -2.663 1.480 0.000) 3.046 3.712 ( 1.826 0.122 0.000) 1.830 3.764 ( 5.439 -2.085 0.000) 5.825 3.769 ( -5.401 0.269 0.000) 5.407 3.942 ( 6.138 -6.855 0.000) 9.201 3.978 ( 3.780 3.703 0.000) 5.292 4.106 ( 7.482 -6.221 0.000) 9.730 4.352 ( -1.920 4.605 0.000) 4.989 4.419 ( -1.148 5.624 0.000) 5.740 4.577 ( -1.777 0.230 0.000) 1.791 4.589 ( 0.864 -4.044 0.000) 4.135 4.606 ( 1.552 -6.050 0.000) 6.246 4.652 ( 7.834 -0.384 0.000) 7.844 4.894 ( -9.144 1.058 0.000) 9.205 5.095 ( 2.284 4.619 0.000) 5.153 5.123 ( -2.007 2.445 0.000) 3.163 5.219 ( -0.658 -1.309 0.000) 1.465 5.338 ( 4.949 -0.819 0.000) 5.016 5.361 ( 2.577 -2.948 0.000) 3.916 5.820 ( -1.113 0.347 0.000) 1.166 5.875 ( -1.353 2.820 0.000) 3.127 5.895 ( -3.290 -0.568 0.000) 3.338 5.959 ( 0.622 0.392 0.000) 0.735 6.029 ( 0.354 2.421 0.000) 2.446 6.110 ( -1.831 1.561 0.000) 2.406 6.244 ( -4.232 0.900 0.000) 4.327 6.355 ( 9.319 -11.587 0.000) 14.870 6.520 ( 6.146 -2.162 0.000) 6.515 6.994 ( -9.658 10.028 0.000) 13.923 7.863 ( -16.058 -4.210 0.000) 16.601 8.381 ( 13.397 0.858 0.000) 13.425 9.134 ( -4.526 5.443 0.000) 7.079 9.309 ( -4.690 -6.415 0.000) 7.947 9.482 ( 9.639 1.474 0.000) 9.751 9.816 ( -0.789 0.281 0.000) 0.837 10.076 ( -3.474 -0.793 0.000) 3.563 10.164 ( 2.233 -0.234 0.000) 2.246 10.498 ( -4.615 0.126 0.000) 4.617 10.643 ( 3.693 3.131 0.000) 4.841 10.728 ( 1.814 -2.489 0.000) 3.080 11.277 ( -5.791 2.077 0.000) 6.152 11.586 ( 6.546 -2.195 0.000) 6.904 11.738 ( 1.037 -0.333 0.000) 1.090 12.221 ( -0.894 1.318 0.000) 1.592 12.444 ( -8.384 0.383 0.000) 8.393 12.531 ( 0.476 -0.278 0.000) 0.551 12.899 ( 12.819 -1.893 0.000) 12.958 13.063 ( -13.851 0.731 0.000) 13.870 13.678 ( 16.982 -0.605 0.000) 16.992 14.168 ( -5.787 2.149 0.000) 6.173 14.545 ( -9.522 -1.777 0.000) 9.686 14.635 ( -0.372 0.181 0.000) 0.413 14.808 ( 6.366 1.012 0.000) 6.446 15.782 ( -1.984 -0.876 0.000) 2.169 15.838 ( -9.595 -0.053 0.000) 9.595 16.139 ( 6.357 0.025 0.000) 6.357 16.945 ( 1.045 11.781 0.000) 11.827 17.392 ( 7.103 -13.675 0.000) 15.410 17.961 ( -2.080 2.102 0.000) 2.957 20.976 ( -1.952 0.258 0.000) 1.969 21.039 ( 0.866 -0.150 0.000) 0.878 ======================= Grid point 15 (8/40) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( -5.398 -10.796 0.000) 12.071 1.451 ( 5.398 10.796 0.000) 12.071 1.455 ( 0.000 -0.000 0.000) 0.000 1.876 ( -1.144 -2.289 0.000) 2.559 1.876 ( 1.144 2.289 0.000) 2.559 2.453 ( -0.000 -0.000 0.000) 0.000 2.507 ( -1.930 -3.860 0.000) 4.315 2.507 ( 1.930 3.860 0.000) 4.315 2.647 ( -0.000 -0.000 0.000) 0.000 2.702 ( -0.000 -0.000 0.000) 0.000 3.167 ( -0.000 -0.000 0.000) 0.000 3.200 ( -1.762 -3.523 0.000) 3.939 3.200 ( 1.762 3.523 0.000) 3.939 3.230 ( 0.000 -0.000 0.000) 0.000 3.334 ( -1.858 -3.716 0.000) 4.155 3.334 ( 1.858 3.716 0.000) 4.155 3.463 ( -2.436 -4.873 0.000) 5.448 3.463 ( 2.436 4.873 0.000) 5.448 3.684 ( -0.973 -1.945 0.000) 2.175 3.684 ( 0.973 1.945 0.000) 2.175 3.847 ( -0.000 -0.000 0.000) 0.000 3.906 ( -3.514 -7.028 0.000) 7.857 3.906 ( 3.514 7.028 0.000) 7.857 3.970 ( -0.000 -0.000 0.000) 0.000 4.427 ( -0.000 -0.000 0.000) 0.000 4.509 ( -2.148 -4.296 0.000) 4.803 4.509 ( 2.148 4.296 0.000) 4.803 4.556 ( -0.843 -1.687 0.000) 1.886 4.556 ( 0.843 1.687 0.000) 1.886 4.577 ( -0.000 -0.000 0.000) 0.000 5.052 ( -1.872 -3.744 0.000) 4.186 5.052 ( 1.872 3.744 0.000) 4.186 5.193 ( -1.058 -2.117 0.000) 2.367 5.193 ( 1.058 2.117 0.000) 2.367 5.275 ( -0.000 -0.000 0.000) 0.000 5.306 ( -0.000 -0.000 0.000) 0.000 5.833 ( -0.000 -0.000 0.000) 0.000 5.912 ( -0.000 0.000 0.000) 0.000 5.940 ( -0.808 -1.615 0.000) 1.806 5.940 ( 0.808 1.615 0.000) 1.806 6.120 ( -3.796 -7.592 0.000) 8.488 6.120 ( 3.796 7.592 0.000) 8.488 6.139 ( -0.000 -0.000 0.000) 0.000 6.368 ( -3.337 -6.673 0.000) 7.461 6.368 ( 3.337 6.673 0.000) 7.461 7.143 ( -0.000 -0.000 0.000) 0.000 8.122 ( -5.911 -11.822 0.000) 13.217 8.122 ( 5.911 11.822 0.000) 13.217 9.290 ( -2.621 -5.241 0.000) 5.860 9.290 ( 2.621 5.241 0.000) 5.860 9.345 ( 0.000 -0.000 0.000) 0.000 9.826 ( -0.000 -0.000 0.000) 0.000 10.120 ( -0.865 -1.730 0.000) 1.934 10.120 ( 0.865 1.730 0.000) 1.934 10.594 ( -1.686 -3.372 0.000) 3.770 10.594 ( 1.686 3.372 0.000) 3.770 10.681 ( 0.000 -0.000 0.000) 0.000 11.427 ( -3.584 -7.168 0.000) 8.014 11.427 ( 3.584 7.168 0.000) 8.014 11.725 ( -0.000 -0.000 0.000) 0.000 12.239 ( -0.000 -0.000 0.000) 0.000 12.524 ( -0.000 -0.000 0.000) 0.000 12.646 ( -5.207 -10.414 0.000) 11.643 12.646 ( 5.207 10.414 0.000) 11.643 13.356 ( -6.973 -13.946 0.000) 15.592 13.356 ( 6.973 13.946 0.000) 15.592 14.245 ( -0.000 -0.000 0.000) 0.000 14.640 ( -0.000 -0.000 0.000) 0.000 14.687 ( -2.788 -5.575 0.000) 6.233 14.687 ( 2.788 5.575 0.000) 6.233 15.799 ( -0.000 -0.000 0.000) 0.000 16.004 ( -3.369 -6.737 0.000) 7.532 16.004 ( 3.369 6.737 0.000) 7.532 17.123 ( -5.178 -10.356 0.000) 11.578 17.123 ( 5.178 10.356 0.000) 11.578 17.989 ( 0.000 -0.000 0.000) 0.000 21.013 ( -0.727 -1.454 0.000) 1.625 21.013 ( 0.727 1.454 0.000) 1.625 ======================= Grid point 43 (9/40) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.515 ( -0.000 0.000 25.375) 25.375 0.515 ( -0.000 0.000 25.375) 25.375 1.085 ( -0.000 0.000 52.360) 52.360 2.187 ( -0.000 0.000 -4.319) 4.319 2.187 ( -0.000 0.000 -4.319) 4.319 2.393 ( -0.000 0.000 9.373) 9.373 2.565 ( 0.000 0.000 -3.211) 3.211 2.565 ( 0.000 0.000 -3.211) 3.211 2.792 ( 0.000 0.000 2.540) 2.540 2.820 ( 0.000 0.000 3.003) 3.003 2.820 ( 0.000 -0.000 3.003) 3.003 2.938 ( -0.000 0.000 -0.314) 0.314 3.112 ( 0.000 0.000 5.119) 5.119 3.112 ( -0.000 0.000 5.119) 5.119 3.344 ( -0.000 0.000 0.293) 0.293 3.344 ( -0.000 0.000 0.293) 0.293 3.511 ( 0.000 -0.000 -0.901) 0.901 3.511 ( 0.000 0.000 -0.901) 0.901 3.646 ( 0.000 -0.000 8.914) 8.914 3.896 ( -0.000 0.000 -2.319) 2.319 3.896 ( 0.000 0.000 -2.319) 2.319 4.018 ( -0.000 -0.000 -5.723) 5.723 4.184 ( 0.000 0.000 -4.829) 4.829 4.413 ( 0.000 0.000 6.523) 6.523 4.413 ( -0.000 0.000 6.523) 6.523 4.435 ( 0.000 0.000 -9.427) 9.427 4.637 ( 0.000 -0.000 -3.808) 3.808 4.637 ( 0.000 0.000 -3.808) 3.808 4.759 ( 0.000 0.000 -4.668) 4.668 4.759 ( 0.000 -0.000 -4.668) 4.668 4.833 ( 0.000 0.000 12.873) 12.873 5.101 ( 0.000 0.000 -4.491) 4.491 5.101 ( 0.000 -0.000 -4.491) 4.491 5.189 ( 0.000 0.000 -16.919) 16.919 5.520 ( 0.000 -0.000 -2.477) 2.477 5.538 ( 0.000 0.000 -1.338) 1.338 5.798 ( -0.000 0.000 3.162) 3.162 5.862 ( 0.000 -0.000 7.438) 7.438 5.939 ( 0.000 0.000 -1.469) 1.469 5.939 ( 0.000 0.000 -1.469) 1.469 6.035 ( 0.000 -0.000 -0.238) 0.238 6.035 ( 0.000 0.000 -0.238) 0.238 6.526 ( -0.000 0.000 24.201) 24.201 6.526 ( 0.000 0.000 24.201) 24.201 6.653 ( -0.000 0.000 13.470) 13.470 6.653 ( -0.000 0.000 13.470) 13.470 7.027 ( 0.000 0.000 7.577) 7.577 8.813 ( -0.000 0.000 -3.009) 3.009 8.920 ( 0.000 0.000 -2.149) 2.149 9.151 ( 0.000 0.000 -3.979) 3.979 9.151 ( 0.000 -0.000 -3.979) 3.979 9.805 ( 0.000 0.000 -3.748) 3.748 9.851 ( 0.000 0.000 7.292) 7.292 9.851 ( 0.000 -0.000 7.292) 7.292 10.627 ( 0.000 0.000 15.620) 15.620 10.822 ( 0.000 0.000 3.517) 3.517 10.822 ( 0.000 -0.000 3.517) 3.517 11.764 ( 0.000 0.000 -3.350) 3.350 11.764 ( -0.000 0.000 -3.350) 3.350 12.063 ( 0.000 0.000 -11.402) 11.402 12.063 ( 0.000 -0.000 -11.402) 11.402 12.338 ( -0.000 0.000 4.923) 4.923 12.716 ( 0.000 -0.000 13.495) 13.495 12.716 ( 0.000 -0.000 13.495) 13.495 13.646 ( 0.000 0.000 -13.415) 13.415 13.646 ( -0.000 0.000 -13.415) 13.415 13.652 ( 0.000 0.000 -7.134) 7.134 14.726 ( -0.000 0.000 9.720) 9.720 14.726 ( 0.000 0.000 9.720) 9.720 14.811 ( 0.000 -0.000 -16.448) 16.448 15.610 ( 0.000 -0.000 -6.963) 6.963 15.610 ( 0.000 0.000 -6.963) 6.963 16.554 ( 0.000 -0.000 17.529) 17.529 17.386 ( 0.000 0.000 -7.508) 7.508 17.386 ( -0.000 0.000 -7.508) 7.508 17.970 ( -0.000 0.000 2.999) 2.999 20.855 ( 0.000 0.000 -2.760) 2.760 21.027 ( 0.000 -0.000 -2.624) 2.624 ======================= Grid point 44 (10/40) ======================= q-point: ( 0.17 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.687 ( 12.314 6.903 18.239) 23.064 0.853 ( 18.426 10.801 18.681) 28.375 1.338 ( 20.370 11.771 37.291) 44.092 2.154 ( -3.628 -1.803 -1.801) 4.434 2.205 ( 1.692 0.510 -3.809) 4.199 2.316 ( -5.362 -2.950 9.709) 11.476 2.515 ( -3.111 -3.622 -2.377) 5.334 2.594 ( -9.308 -0.997 -1.576) 9.493 2.701 ( 4.316 -0.112 -9.050) 10.027 2.819 ( -0.398 -0.059 2.997) 3.024 2.918 ( -0.107 -0.994 -1.489) 1.793 2.957 ( 5.233 3.361 4.800) 7.856 3.123 ( 0.457 1.298 2.492) 2.847 3.182 ( 4.335 1.838 -0.124) 4.711 3.318 ( -1.080 -0.521 2.100) 2.418 3.364 ( 1.777 1.091 1.638) 2.652 3.489 ( -1.913 -0.453 1.954) 2.772 3.509 ( 0.678 -0.272 -0.509) 0.890 3.663 ( 2.399 1.339 6.720) 7.260 3.867 ( -3.416 -2.030 -1.200) 4.151 3.926 ( -0.843 0.005 -4.206) 4.290 4.007 ( -0.115 -0.563 -4.127) 4.167 4.138 ( -3.345 -1.853 -4.425) 5.849 4.356 ( -4.263 -2.517 7.451) 8.946 4.424 ( -1.493 0.990 4.924) 5.239 4.470 ( 2.631 -1.087 -6.237) 6.857 4.552 ( -0.466 -0.907 1.120) 1.515 4.589 ( -1.656 -0.044 -3.103) 3.517 4.707 ( -6.108 -2.288 0.799) 6.571 4.757 ( -2.778 -2.767 4.506) 5.973 4.782 ( -0.860 0.429 -2.152) 2.357 5.046 ( -3.448 -3.707 -7.701) 9.216 5.101 ( -2.274 2.643 -3.747) 5.118 5.139 ( 3.295 -0.936 -3.746) 5.076 5.422 ( -1.799 -1.171 0.596) 2.227 5.503 ( -1.643 -0.696 -1.471) 2.312 5.798 ( -0.220 -0.197 2.226) 2.245 5.807 ( 1.012 0.747 3.042) 3.292 5.933 ( -0.509 -0.462 -1.028) 1.237 6.038 ( 0.229 0.168 -0.522) 0.595 6.081 ( 3.221 1.934 -0.939) 3.872 6.271 ( -4.382 -2.141 12.464) 13.384 6.345 ( -5.456 -4.515 15.350) 16.905 6.449 ( 3.143 3.361 -2.056) 5.040 6.739 ( 3.229 -1.198 12.914) 13.366 6.784 ( 4.727 5.243 16.601) 18.039 7.273 ( 17.753 10.216 10.397) 22.970 8.762 ( -4.553 -2.632 -0.597) 5.292 8.940 ( 1.585 0.913 -4.063) 4.455 9.153 ( 0.350 0.164 -4.738) 4.754 9.341 ( 5.629 3.321 -19.867) 20.914 9.859 ( 1.040 0.087 6.746) 6.826 9.930 ( 5.855 4.305 6.994) 10.086 9.982 ( 13.338 7.259 -5.128) 16.027 10.608 ( -1.369 -0.788 14.509) 14.595 10.786 ( -2.976 -1.545 3.608) 4.925 10.809 ( -0.744 -0.606 3.707) 3.829 11.738 ( -2.567 -1.394 -2.318) 3.729 11.750 ( -1.051 -0.708 -3.406) 3.634 11.918 ( -21.313 -12.109 28.215) 37.376 12.062 ( 0.121 -0.631 -11.187) 11.205 12.114 ( 3.589 2.606 -9.642) 10.613 12.704 ( -0.971 -0.517 12.618) 12.666 12.777 ( 5.370 3.075 11.807) 13.331 13.325 ( -13.380 -7.796 -8.954) 17.888 13.744 ( 6.108 3.603 -14.533) 16.171 13.964 ( 12.877 7.428 -11.023) 18.507 14.554 ( -15.561 -9.023 12.510) 21.910 14.738 ( 0.478 0.498 9.964) 9.987 14.791 ( -1.559 -1.153 -15.522) 15.643 15.538 ( 1.888 1.191 2.102) 3.066 15.649 ( 3.935 2.187 -3.465) 5.681 16.509 ( -3.780 -2.130 16.358) 16.924 17.296 ( -10.356 -5.551 -0.620) 11.766 17.411 ( 2.199 0.681 -7.608) 7.948 17.784 ( -4.271 -2.333 -0.755) 4.925 20.874 ( 1.456 0.843 -2.799) 3.266 21.026 ( -0.120 -0.069 -2.694) 2.698 ======================= Grid point 45 (11/40) ======================= q-point: ( 0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( 12.263 6.493 11.028) 17.724 1.246 ( 14.818 8.903 21.645) 27.700 1.848 ( 14.275 9.700 12.068) 21.060 1.995 ( -6.406 -5.765 8.386) 12.025 2.182 ( -6.570 -3.187 2.989) 7.890 2.271 ( 5.281 2.068 -1.442) 5.852 2.412 ( -1.865 -3.591 -2.329) 4.669 2.460 ( -5.919 2.908 0.213) 6.598 2.709 ( -0.204 -1.690 -3.736) 4.106 2.817 ( 0.511 -0.435 3.720) 3.780 2.932 ( 1.969 -0.852 -4.251) 4.761 3.066 ( 3.482 2.644 1.760) 4.713 3.162 ( 2.074 2.594 -2.308) 4.044 3.246 ( 2.990 -1.148 -1.407) 3.498 3.318 ( -1.018 1.398 -0.133) 1.735 3.385 ( -1.710 0.410 2.688) 3.212 3.474 ( 1.725 -0.488 7.312) 7.529 3.515 ( -2.597 -0.343 -0.179) 2.625 3.708 ( -3.791 -2.973 -1.033) 4.927 3.761 ( 2.249 0.999 5.250) 5.799 3.870 ( -3.572 0.139 0.075) 3.575 3.980 ( -1.691 -3.734 -2.203) 4.653 4.061 ( -2.583 -0.465 -0.674) 2.709 4.289 ( -1.018 -2.631 2.520) 3.783 4.331 ( -7.115 0.583 0.503) 7.157 4.475 ( 1.400 -5.504 3.313) 6.574 4.518 ( -2.967 -1.923 5.794) 6.787 4.600 ( -0.694 2.548 -3.271) 4.204 4.656 ( 0.165 -2.711 -2.666) 3.806 4.718 ( 3.402 5.418 -3.887) 7.485 4.763 ( -2.737 1.683 -1.037) 3.376 4.973 ( -1.349 -4.918 -7.128) 8.765 5.084 ( -2.241 2.088 -2.403) 3.893 5.196 ( 3.753 -0.779 -1.923) 4.288 5.402 ( 0.052 -0.727 -0.511) 0.890 5.448 ( -3.412 -0.594 0.963) 3.595 5.798 ( 0.139 0.071 -0.211) 0.262 5.851 ( 1.311 1.733 1.759) 2.796 5.923 ( 1.016 -0.572 0.691) 1.356 6.044 ( 0.224 0.140 -0.066) 0.272 6.120 ( -2.114 -1.532 12.127) 12.405 6.185 ( 1.331 1.830 4.319) 4.876 6.210 ( -4.309 -2.912 15.089) 15.960 6.498 ( -1.063 0.099 -7.452) 7.528 6.760 ( 1.303 -1.505 11.852) 12.018 6.882 ( 1.850 2.632 17.031) 17.332 7.726 ( 18.448 10.611 9.638) 23.363 8.596 ( -9.122 -5.291 2.947) 10.950 8.978 ( 1.213 0.698 -6.347) 6.500 9.177 ( 1.783 0.861 -8.105) 8.343 9.360 ( -1.982 -0.860 -14.947) 15.103 9.880 ( 1.036 0.166 7.023) 7.101 10.107 ( 7.487 4.888 7.936) 11.955 10.242 ( 6.516 3.451 0.226) 7.377 10.580 ( -0.583 -0.228 11.243) 11.261 10.698 ( -4.179 -2.019 3.005) 5.529 10.797 ( 0.152 -0.380 4.070) 4.090 11.543 ( -8.766 -4.704 23.666) 25.671 11.677 ( -3.456 -2.511 0.989) 4.385 11.723 ( -1.241 -0.405 -2.961) 3.236 12.058 ( 0.096 -0.398 -11.238) 11.245 12.246 ( 6.517 4.130 -8.530) 11.502 12.669 ( -2.267 -0.968 9.127) 9.454 12.966 ( 9.799 5.709 8.883) 14.405 13.036 ( -9.916 -6.239 -5.248) 12.837 13.876 ( 3.239 2.056 -12.089) 12.683 14.095 ( -12.457 -6.942 6.136) 15.525 14.298 ( 7.905 4.324 -6.265) 10.974 14.704 ( -4.397 -1.927 -9.770) 10.886 14.772 ( 1.085 -0.300 6.301) 6.401 15.632 ( 3.759 2.644 -7.603) 8.885 15.805 ( 7.833 4.065 4.533) 9.921 16.388 ( -5.966 -3.032 13.726) 15.271 17.014 ( -10.690 -6.026 6.236) 13.765 17.465 ( 2.550 0.633 -7.841) 8.269 17.768 ( 0.180 0.587 -11.011) 11.028 20.916 ( 1.803 1.057 -2.865) 3.547 21.020 ( -0.450 -0.265 -2.844) 2.891 ======================= Grid point 46 (12/40) ======================= q-point: (-0.50 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( 0.000 0.000 8.292) 8.292 1.500 ( 0.000 -0.000 23.391) 23.391 1.770 ( 0.000 0.000 9.843) 9.843 2.056 ( -0.000 0.000 1.648) 1.648 2.082 ( 0.000 0.000 2.599) 2.599 2.352 ( 0.000 0.000 -4.626) 4.626 2.412 ( -0.000 0.000 -3.803) 3.803 2.426 ( 0.000 0.000 3.117) 3.117 2.711 ( 0.000 0.000 -1.300) 1.300 2.820 ( 0.000 -0.000 5.170) 5.170 2.952 ( 0.000 0.000 -4.799) 4.799 3.189 ( -0.000 -0.000 -2.786) 2.786 3.215 ( -0.000 0.000 6.507) 6.507 3.219 ( 0.000 0.000 -2.409) 2.409 3.272 ( 0.000 0.000 -3.297) 3.297 3.369 ( 0.000 0.000 2.383) 2.383 3.410 ( 0.000 0.000 4.015) 4.015 3.501 ( 0.000 0.000 7.099) 7.099 3.668 ( 0.000 0.000 -3.229) 3.229 3.822 ( 0.000 0.000 3.192) 3.192 3.870 ( -0.000 -0.000 8.140) 8.140 3.887 ( 0.000 0.000 -4.114) 4.114 4.043 ( 0.000 0.000 0.890) 0.890 4.225 ( 0.000 0.000 -0.794) 0.794 4.297 ( 0.000 0.000 2.314) 2.314 4.421 ( 0.000 -0.000 9.079) 9.079 4.511 ( 0.000 0.000 -5.455) 5.455 4.602 ( 0.000 0.000 -5.058) 5.058 4.642 ( 0.000 0.000 1.954) 1.954 4.742 ( 0.000 0.000 2.134) 2.134 4.852 ( 0.000 -0.000 -7.809) 7.809 4.881 ( 0.000 0.000 -5.280) 5.280 5.073 ( 0.000 0.000 -2.210) 2.210 5.235 ( 0.000 0.000 -1.164) 1.164 5.401 ( -0.000 0.000 2.551) 2.551 5.401 ( 0.000 -0.000 -0.296) 0.296 5.800 ( 0.000 0.000 -1.249) 1.249 5.867 ( 0.000 0.000 1.517) 1.517 5.947 ( 0.000 0.000 -0.560) 0.560 6.054 ( 0.000 0.000 -0.667) 0.667 6.077 ( 0.000 0.000 17.046) 17.046 6.150 ( 0.000 0.000 13.618) 13.618 6.223 ( 0.000 0.000 -0.265) 0.265 6.475 ( 0.000 0.000 -5.828) 5.828 6.763 ( 0.000 0.000 11.728) 11.728 6.911 ( 0.000 0.000 17.120) 17.120 8.017 ( 0.000 0.000 8.391) 8.391 8.419 ( 0.000 0.000 5.024) 5.024 8.991 ( 0.000 0.000 -6.861) 6.861 9.210 ( 0.000 0.000 -13.823) 13.823 9.323 ( 0.000 0.000 -8.478) 8.478 9.892 ( 0.000 0.000 6.994) 6.994 10.235 ( 0.000 0.000 10.395) 10.395 10.284 ( 0.000 0.000 6.358) 6.358 10.588 ( 0.000 0.000 7.804) 7.804 10.631 ( 0.000 0.000 3.257) 3.257 10.800 ( 0.000 0.000 3.917) 3.917 11.447 ( 0.000 0.000 17.848) 17.848 11.625 ( 0.000 0.000 1.639) 1.639 11.709 ( 0.000 0.000 -3.109) 3.109 12.057 ( 0.000 0.000 -11.322) 11.322 12.360 ( 0.000 0.000 -7.932) 7.932 12.620 ( 0.000 0.000 3.676) 3.676 12.904 ( 0.000 0.000 0.230) 0.230 13.131 ( 0.000 0.000 6.997) 6.997 13.807 ( 0.000 0.000 10.667) 10.667 13.987 ( 0.000 0.000 -12.671) 12.671 14.463 ( 0.000 0.000 -10.545) 10.545 14.609 ( 0.000 0.000 -11.981) 11.981 14.784 ( 0.000 0.000 9.584) 9.584 15.690 ( 0.000 0.000 -9.659) 9.659 15.914 ( 0.000 0.000 4.692) 4.692 16.298 ( 0.000 -0.000 12.921) 12.921 16.875 ( 0.000 0.000 8.447) 8.447 17.495 ( 0.000 0.000 -7.942) 7.942 17.772 ( 0.000 0.000 -12.705) 12.705 20.942 ( 0.000 0.000 -2.873) 2.873 21.011 ( 0.000 0.000 -2.946) 2.946 ======================= Grid point 51 (13/40) ======================= q-point: ( 0.17 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( 8.924 16.591 11.644) 22.146 1.138 ( 9.152 15.051 20.420) 26.968 1.706 ( 11.059 18.592 18.995) 28.789 2.060 ( -4.879 -7.740 7.613) 11.902 2.199 ( -1.220 -1.979 0.289) 2.343 2.273 ( 0.366 1.419 0.643) 1.601 2.406 ( -3.547 -4.198 0.010) 5.496 2.540 ( 3.112 -6.895 -3.255) 8.235 2.660 ( -5.650 -1.501 -4.271) 7.240 2.807 ( -0.781 -0.971 1.845) 2.226 2.939 ( 0.463 3.879 -2.576) 4.680 3.053 ( 3.030 4.841 3.528) 6.713 3.129 ( 1.711 0.048 -1.105) 2.037 3.236 ( -0.685 1.946 -3.486) 4.051 3.331 ( 2.190 1.066 3.309) 4.108 3.408 ( 1.890 3.008 2.315) 4.240 3.480 ( -0.076 -0.336 2.007) 2.037 3.503 ( -0.227 -0.175 1.051) 1.089 3.710 ( 1.429 2.735 3.154) 4.412 3.792 ( -3.141 -3.934 2.438) 5.593 3.881 ( -0.950 -6.220 -3.747) 7.324 3.984 ( -3.085 -0.085 0.306) 3.101 4.069 ( -1.659 -4.869 -2.420) 5.684 4.288 ( -2.559 -3.377 5.875) 7.244 4.378 ( 1.682 -5.003 1.164) 5.405 4.472 ( -7.886 1.106 -3.169) 8.570 4.565 ( 0.752 1.409 0.435) 1.655 4.596 ( 1.623 -3.082 5.214) 6.270 4.652 ( 0.155 0.303 -2.355) 2.379 4.712 ( -1.914 -1.463 -4.606) 5.198 4.718 ( 1.732 -3.881 1.430) 4.484 5.010 ( -2.289 0.418 -8.367) 8.685 5.107 ( 3.374 -0.564 -3.386) 4.813 5.184 ( -1.367 3.741 -1.547) 4.273 5.387 ( -1.651 -2.413 -0.638) 2.993 5.468 ( -0.641 -2.548 0.694) 2.717 5.800 ( 0.147 0.305 0.324) 0.469 5.835 ( 1.658 1.892 2.049) 3.245 5.928 ( -0.483 0.322 0.077) 0.586 6.047 ( 0.412 0.753 -0.407) 0.949 6.140 ( 1.006 2.979 1.409) 3.445 6.160 ( -1.637 -4.589 14.695) 15.482 6.280 ( -2.199 -3.416 16.857) 17.340 6.485 ( 0.729 -1.583 -4.744) 5.054 6.609 ( -4.618 -4.875 10.455) 12.426 7.014 ( 6.094 9.861 15.340) 19.227 7.580 ( 10.336 18.002 9.884) 22.992 8.650 ( -4.810 -8.299 2.074) 9.814 8.986 ( 1.776 3.079 -6.446) 7.361 9.152 ( 0.009 0.240 -6.385) 6.389 9.368 ( -0.603 -1.452 -16.928) 17.001 9.888 ( 0.496 1.826 8.302) 8.515 10.044 ( 4.844 7.230 5.790) 10.453 10.193 ( 5.114 9.282 -2.065) 10.797 10.585 ( -0.521 -0.989 12.118) 12.170 10.742 ( -0.952 -3.073 3.789) 4.970 10.780 ( -1.632 -1.336 3.608) 4.180 11.621 ( -6.095 -11.484 27.268) 30.209 11.686 ( -2.916 -3.719 -0.694) 4.776 11.729 ( -0.740 -1.941 -2.846) 3.523 12.069 ( -0.288 0.475 -11.287) 11.301 12.200 ( 4.108 6.298 -8.807) 11.580 12.691 ( -0.330 -1.061 11.825) 11.877 12.894 ( 4.015 7.120 6.372) 10.364 13.102 ( -6.378 -10.523 -4.674) 13.162 13.860 ( 3.547 5.851 -13.663) 15.280 14.140 ( 0.720 0.681 -5.140) 5.235 14.279 ( -4.600 -7.374 6.837) 11.058 14.737 ( -0.127 -3.112 -7.689) 8.296 14.761 ( -1.506 0.718 3.471) 3.851 15.603 ( 2.618 3.818 -6.008) 7.584 15.759 ( 4.593 8.594 3.971) 10.522 16.421 ( -3.342 -6.304 14.228) 15.916 17.180 ( -4.345 -9.066 3.772) 10.738 17.332 ( -2.546 -2.006 -5.473) 6.360 17.790 ( 1.315 1.682 -10.648) 10.860 20.905 ( 1.178 2.018 -2.864) 3.696 21.022 ( -0.241 -0.413 -2.801) 2.842 ======================= Grid point 52 (14/40) ======================= q-point: ( 0.33 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( 2.012 15.646 6.782) 17.171 1.450 ( 9.967 10.004 19.816) 24.333 1.825 ( -8.820 -9.412 11.375) 17.198 1.956 ( 6.573 0.446 7.643) 10.090 2.103 ( -4.271 -5.440 4.251) 8.118 2.359 ( 1.939 4.454 -4.044) 6.321 2.386 ( 1.178 0.361 -3.716) 3.915 2.494 ( -4.186 -0.169 -2.439) 4.848 2.597 ( 4.599 -5.830 -1.326) 7.543 2.793 ( 0.933 -1.267 1.941) 2.499 3.024 ( 0.528 9.278 0.705) 9.320 3.148 ( 3.860 4.857 0.523) 6.226 3.179 ( 3.112 0.135 -2.571) 4.039 3.227 ( -0.323 -0.551 -1.175) 1.338 3.339 ( -4.727 -0.059 -0.975) 4.827 3.437 ( -1.706 1.397 3.053) 3.766 3.473 ( -0.245 0.231 6.287) 6.296 3.488 ( -4.301 0.131 2.375) 4.915 3.666 ( -1.238 -0.538 -1.544) 2.051 3.779 ( 1.444 -3.751 1.411) 4.260 3.834 ( 4.005 -1.811 -1.152) 4.544 3.914 ( -3.478 -0.304 5.793) 6.764 4.018 ( -0.019 -2.458 1.866) 3.086 4.176 ( -1.450 -7.864 5.290) 9.588 4.368 ( -5.442 2.725 -2.179) 6.465 4.410 ( 3.806 -0.378 -0.609) 3.873 4.525 ( -2.565 1.328 4.435) 5.293 4.570 ( 0.417 -3.735 -3.369) 5.048 4.604 ( -0.911 -2.377 -1.848) 3.145 4.699 ( 2.791 -6.373 2.488) 7.389 4.850 ( 5.223 6.294 -6.389) 10.378 4.951 ( -5.902 2.155 -7.525) 9.803 5.157 ( -3.483 4.040 -0.098) 5.335 5.196 ( 3.532 1.013 -1.895) 4.134 5.333 ( 0.353 -4.737 -0.003) 4.750 5.431 ( -0.808 -1.803 3.065) 3.646 5.807 ( -0.099 0.687 -1.209) 1.394 5.885 ( 0.577 1.206 0.291) 1.368 5.925 ( 0.337 0.679 0.034) 0.759 6.066 ( 0.268 1.006 3.442) 3.596 6.092 ( -1.193 -0.240 11.072) 11.138 6.191 ( -2.285 1.868 10.591) 10.995 6.239 ( -0.166 2.805 3.307) 4.339 6.449 ( -0.136 -4.846 -2.496) 5.453 6.519 ( 4.762 -11.846 12.058) 17.561 7.148 ( -3.800 12.607 14.578) 19.645 7.950 ( 11.334 11.134 8.460) 17.999 8.435 ( -6.868 -10.242 4.906) 13.272 9.035 ( -1.211 4.446 -8.493) 9.662 9.174 ( 2.657 -0.907 -11.054) 11.405 9.318 ( -1.313 -3.050 -10.076) 10.609 9.911 ( -0.336 2.174 8.501) 8.781 10.199 ( 4.758 3.624 8.622) 10.493 10.284 ( -0.002 0.181 6.376) 6.378 10.593 ( 0.966 1.838 7.616) 7.894 10.672 ( -4.109 -0.684 3.918) 5.719 10.762 ( 1.833 -2.588 3.251) 4.541 11.482 ( -2.967 -0.674 18.074) 18.328 11.602 ( -0.712 -4.336 2.532) 5.072 11.702 ( -0.211 -1.377 -3.460) 3.730 12.070 ( -0.402 1.019 -11.860) 11.910 12.362 ( 4.344 7.599 -7.879) 11.777 12.657 ( -3.503 -0.515 7.495) 8.289 12.820 ( -0.838 -11.933 -5.188) 13.039 13.171 ( 4.739 12.344 9.492) 16.277 13.787 ( -6.559 -13.716 8.779) 17.556 14.028 ( -0.464 3.910 -11.276) 11.944 14.424 ( 6.249 6.545 -11.155) 14.364 14.643 ( -4.379 -3.947 -13.458) 14.692 14.773 ( 0.793 0.359 11.143) 11.177 15.681 ( 1.873 1.962 -9.137) 9.531 15.932 ( 3.133 7.965 5.913) 10.402 16.283 ( -2.845 -7.204 11.704) 14.035 16.995 ( -9.194 3.542 5.463) 11.266 17.334 ( 7.265 -10.092 -4.139) 13.105 17.815 ( -0.871 2.180 -13.512) 13.715 20.946 ( 0.771 1.782 -2.917) 3.504 21.009 ( -0.346 -0.869 -2.929) 3.075 ======================= Grid point 53 (15/40) ======================= q-point: (-0.50 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( -14.178 6.187 7.215) 17.069 1.446 ( -14.050 -3.842 19.234) 24.127 1.796 ( 9.585 2.182 10.312) 14.247 2.001 ( -0.467 -5.750 8.005) 9.867 2.092 ( 7.094 1.653 5.686) 9.241 2.362 ( -2.539 1.113 -6.059) 6.663 2.397 ( -2.507 -2.045 -0.061) 3.236 2.434 ( -1.268 3.115 -3.016) 4.517 2.627 ( 4.533 -4.892 -3.253) 7.421 2.796 ( 1.022 -1.710 1.797) 2.683 3.045 ( -6.681 4.443 0.369) 8.032 3.131 ( -6.170 -2.145 1.332) 6.667 3.183 ( -2.780 -2.038 -2.379) 4.188 3.250 ( 1.064 -1.450 -2.760) 3.294 3.355 ( -2.312 2.088 4.168) 5.203 3.372 ( 5.032 7.122 -0.778) 8.755 3.465 ( 0.766 1.645 4.350) 4.713 3.512 ( -0.906 0.691 4.028) 4.186 3.681 ( 2.115 1.721 -2.113) 3.449 3.779 ( 4.607 -4.465 2.045) 6.734 3.810 ( -3.734 -1.862 1.627) 4.479 3.956 ( 4.752 2.419 1.587) 5.564 3.993 ( 0.489 -2.536 3.547) 4.388 4.182 ( 7.905 -2.858 5.667) 10.138 4.327 ( -2.340 3.488 -1.235) 4.378 4.479 ( 1.760 2.499 3.343) 4.530 4.522 ( 1.987 -5.573 -4.565) 7.473 4.550 ( 1.430 3.749 -2.150) 4.552 4.623 ( 3.501 -1.936 0.443) 4.025 4.678 ( 2.388 -5.041 2.646) 6.174 4.808 ( -9.127 1.685 -6.278) 11.205 4.991 ( 1.981 3.256 -7.468) 8.384 5.118 ( -3.744 3.268 -2.006) 5.359 5.243 ( -1.052 -0.519 -0.193) 1.189 5.329 ( 4.635 -3.109 0.065) 5.582 5.422 ( 1.270 0.130 2.997) 3.258 5.807 ( -0.541 0.431 -1.161) 1.352 5.867 ( -1.861 0.479 0.412) 1.966 5.946 ( -0.111 -0.497 -0.621) 0.803 6.059 ( -0.784 0.435 8.616) 8.663 6.101 ( 0.901 0.786 5.918) 6.038 6.187 ( -1.141 3.165 11.301) 11.791 6.234 ( -2.207 1.457 3.420) 4.324 6.439 ( 3.816 -3.064 -1.820) 5.222 6.533 ( 8.505 -9.387 11.107) 16.847 7.147 ( -9.228 9.701 14.616) 19.822 7.950 ( -15.280 -4.249 8.423) 17.958 8.435 ( 12.319 0.817 4.936) 13.296 9.035 ( -3.236 3.249 -8.318) 9.499 9.177 ( -0.462 -2.821 -11.207) 11.566 9.315 ( 3.132 -0.271 -10.197) 10.671 9.914 ( -1.436 1.315 8.870) 9.081 10.192 ( -5.674 -2.033 7.649) 9.738 10.290 ( -0.145 -0.205 7.029) 7.034 10.590 ( -2.073 0.255 8.116) 8.381 10.668 ( 2.199 2.942 2.746) 4.586 10.768 ( 1.740 -2.739 3.961) 5.120 11.477 ( 1.844 2.230 17.590) 17.826 11.607 ( 4.402 -1.558 3.369) 5.758 11.700 ( 1.130 -0.457 -3.748) 3.941 12.073 ( -0.406 0.777 -12.002) 12.034 12.360 ( -9.036 0.094 -7.761) 11.912 12.648 ( 2.218 2.649 6.802) 7.630 12.827 ( 10.732 -5.089 -4.569) 12.726 13.172 ( -12.943 2.015 9.673) 16.283 13.785 ( 15.050 -1.124 8.480) 17.311 14.027 ( -3.255 2.374 -11.256) 11.956 14.424 ( -8.670 -2.116 -10.760) 13.979 14.641 ( 5.242 1.812 -12.778) 13.930 14.779 ( -0.145 -0.623 10.143) 10.163 15.677 ( -2.953 -0.501 -8.938) 9.426 15.937 ( -8.250 1.098 5.896) 10.200 16.277 ( 7.451 -0.962 11.368) 13.627 16.994 ( 1.415 9.541 5.905) 11.309 17.341 ( 5.623 -11.351 -4.361) 13.397 17.812 ( -1.699 1.968 -13.521) 13.769 20.946 ( -1.938 0.228 -2.913) 3.506 21.009 ( 0.927 -0.137 -2.929) 3.075 ======================= Grid point 58 (16/40) ======================= q-point: ( 0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( 0.000 -0.000 3.255) 3.255 1.624 ( -3.672 -7.345 13.680) 15.955 1.624 ( 3.672 7.345 13.680) 15.955 1.978 ( -1.477 -2.955 10.441) 10.951 1.978 ( 1.477 2.955 10.441) 10.951 2.384 ( -0.000 -0.000 -6.421) 6.421 2.445 ( -1.655 -3.309 -4.753) 6.023 2.445 ( 1.655 3.309 -4.753) 6.023 2.544 ( -0.000 -0.000 -4.057) 4.057 2.780 ( -0.000 -0.000 2.923) 2.923 3.159 ( 0.000 -0.000 -1.370) 1.370 3.178 ( -1.028 -2.056 -2.289) 3.244 3.178 ( 1.028 2.056 -2.289) 3.244 3.342 ( 0.000 0.000 10.002) 10.002 3.342 ( -1.820 -3.641 -0.998) 4.191 3.342 ( 1.820 3.641 -0.998) 4.191 3.498 ( -1.270 -2.540 4.194) 5.065 3.498 ( 1.270 2.540 4.194) 5.065 3.670 ( -0.584 -1.168 -0.050) 1.307 3.670 ( 0.584 1.168 -0.050) 1.307 3.816 ( -0.000 -0.000 -4.692) 4.692 3.987 ( 0.000 -0.000 3.854) 3.854 4.009 ( -3.234 -6.469 8.714) 11.325 4.009 ( 3.234 6.469 8.714) 11.325 4.425 ( 0.000 -0.000 -0.751) 0.751 4.446 ( -1.437 -2.874 -5.490) 6.361 4.446 ( 1.437 2.874 -5.490) 6.361 4.585 ( -1.588 -3.175 2.659) 4.435 4.585 ( 1.588 3.175 2.659) 4.435 4.587 ( -0.000 -0.000 1.003) 1.003 4.955 ( -1.619 -3.238 -7.123) 7.990 4.955 ( 1.619 3.238 -7.123) 7.990 5.225 ( -1.015 -2.029 0.671) 2.366 5.225 ( 1.015 2.029 0.671) 2.366 5.239 ( -0.000 0.000 -1.294) 1.294 5.402 ( -0.000 -0.000 4.903) 4.903 5.816 ( -0.000 -0.000 -1.619) 1.619 5.916 ( -0.902 -1.803 -1.253) 2.374 5.916 ( 0.902 1.803 -1.253) 2.374 6.061 ( -0.000 -0.000 15.803) 15.803 6.107 ( -0.000 -0.000 -2.652) 2.652 6.273 ( -1.676 -3.352 10.180) 10.848 6.273 ( 1.676 3.352 10.180) 10.848 6.360 ( -1.397 -2.795 2.898) 4.262 6.360 ( 1.397 2.795 2.898) 4.262 7.290 ( -0.000 -0.000 14.048) 14.048 8.194 ( -5.563 -11.126 6.868) 14.210 8.194 ( 5.563 11.126 6.868) 14.210 9.129 ( -1.732 -3.463 -12.044) 12.651 9.129 ( 1.732 3.463 -12.044) 12.651 9.274 ( -0.000 -0.000 -6.042) 6.042 9.938 ( -0.000 -0.000 10.194) 10.194 10.258 ( -1.084 -2.168 8.938) 9.260 10.258 ( 1.084 2.168 8.938) 9.260 10.647 ( -1.128 -2.256 4.452) 5.117 10.647 ( 1.128 2.256 4.452) 5.117 10.721 ( 0.000 -0.000 3.870) 3.870 11.516 ( -1.608 -3.215 9.599) 10.250 11.516 ( 1.608 3.215 9.599) 10.250 11.685 ( -0.000 -0.000 -4.144) 4.144 12.081 ( -0.000 -0.000 -12.580) 12.580 12.564 ( -5.036 -10.072 -7.896) 13.753 12.564 ( 5.036 10.072 -7.896) 13.753 12.657 ( -0.000 -0.000 10.086) 10.086 13.467 ( -7.071 -14.142 10.237) 18.836 13.467 ( 7.071 14.142 10.237) 18.836 14.087 ( -0.000 -0.000 -13.435) 13.435 14.547 ( -2.402 -4.805 -12.712) 13.800 14.547 ( 2.402 4.805 -12.712) 13.800 14.777 ( -0.000 -0.000 11.656) 11.656 15.706 ( -0.000 -0.000 -9.038) 9.038 16.111 ( -3.981 -7.962 8.062) 12.009 16.111 ( 3.981 7.962 8.062) 12.009 17.128 ( -4.007 -8.014 1.645) 9.109 17.128 ( 4.007 8.014 1.645) 9.109 17.837 ( 0.000 -0.000 -14.338) 14.338 20.983 ( -0.728 -1.456 -2.963) 3.381 20.983 ( 0.728 1.456 -2.963) 3.381 ======================= Grid point 86 (17/40) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( 0.000 0.000 23.441) 23.441 1.009 ( 0.000 0.000 23.441) 23.441 2.066 ( -0.000 0.000 44.399) 44.399 2.091 ( -0.000 0.000 -4.907) 4.907 2.091 ( 0.000 0.000 -4.907) 4.907 2.496 ( 0.000 0.000 -2.894) 2.894 2.496 ( 0.000 0.000 -2.894) 2.894 2.585 ( -0.000 -0.000 8.212) 8.212 2.886 ( 0.000 0.000 3.213) 3.213 2.886 ( 0.000 0.000 3.213) 3.213 2.886 ( 0.000 0.000 6.768) 6.768 2.934 ( -0.000 0.000 0.019) 0.019 3.195 ( 0.000 0.000 1.985) 1.985 3.195 ( -0.000 -0.000 1.985) 1.985 3.334 ( -0.000 0.000 -1.300) 1.300 3.334 ( -0.000 0.000 -1.300) 1.300 3.510 ( 0.000 -0.000 0.972) 0.972 3.510 ( 0.000 -0.000 0.972) 0.972 3.816 ( 0.000 0.000 4.160) 4.160 3.876 ( 0.000 0.000 -0.017) 0.017 3.876 ( 0.000 0.000 -0.017) 0.017 3.938 ( 0.000 0.000 -1.636) 1.636 4.112 ( 0.000 0.000 0.948) 0.948 4.220 ( 0.000 -0.000 -10.829) 10.829 4.494 ( -0.000 0.000 -2.289) 2.289 4.494 ( 0.000 0.000 -2.289) 2.289 4.592 ( 0.000 -0.000 3.107) 3.107 4.592 ( 0.000 -0.000 3.107) 3.107 4.666 ( 0.000 -0.000 -3.787) 3.787 4.666 ( 0.000 0.000 -3.787) 3.787 4.812 ( -0.000 0.000 -19.743) 19.743 4.977 ( 0.000 0.000 -7.429) 7.429 4.977 ( 0.000 0.000 -7.429) 7.429 5.065 ( 0.000 -0.000 7.415) 7.415 5.451 ( 0.000 0.000 -2.968) 2.968 5.498 ( 0.000 0.000 -1.594) 1.594 5.878 ( 0.000 0.000 4.325) 4.325 5.921 ( 0.000 0.000 -0.352) 0.352 5.921 ( 0.000 0.000 -0.352) 0.352 6.003 ( -0.000 0.000 5.829) 5.829 6.025 ( 0.000 0.000 -0.816) 0.816 6.025 ( 0.000 0.000 -0.816) 0.816 7.003 ( 0.000 0.000 20.249) 20.249 7.003 ( -0.000 0.000 20.249) 20.249 7.152 ( 0.000 0.000 35.932) 35.932 7.152 ( -0.000 0.000 35.932) 35.932 7.225 ( 0.000 0.000 11.759) 11.759 8.657 ( -0.000 0.000 -10.885) 10.885 8.950 ( 0.000 -0.000 3.863) 3.863 9.048 ( -0.000 0.000 -5.543) 5.543 9.048 ( -0.000 0.000 -5.543) 5.543 9.698 ( 0.000 0.000 -6.764) 6.764 10.048 ( 0.000 0.000 11.233) 11.233 10.048 ( 0.000 0.000 11.233) 11.233 10.922 ( 0.000 0.000 6.243) 6.243 10.922 ( 0.000 0.000 6.243) 6.243 11.044 ( 0.000 0.000 24.844) 24.844 11.635 ( 0.000 0.000 -10.484) 10.484 11.635 ( 0.000 0.000 -10.484) 10.484 11.832 ( 0.000 0.000 -9.522) 9.522 11.832 ( 0.000 0.000 -9.522) 9.522 12.485 ( 0.000 0.000 9.742) 9.742 13.047 ( 0.000 0.000 19.141) 19.141 13.047 ( -0.000 0.000 19.141) 19.141 13.287 ( 0.000 -0.000 -21.726) 21.726 13.287 ( -0.000 0.000 -21.726) 21.726 13.442 ( 0.000 0.000 -13.723) 13.723 14.409 ( -0.000 0.000 -22.391) 22.391 14.928 ( -0.000 0.000 6.741) 6.741 14.928 ( 0.000 0.000 6.741) 6.741 15.455 ( -0.000 0.000 -4.999) 4.999 15.455 ( 0.000 -0.000 -4.999) 4.999 16.979 ( 0.000 0.000 23.291) 23.291 17.167 ( 0.000 0.000 -14.095) 14.095 17.167 ( 0.000 0.000 -14.095) 14.095 18.043 ( 0.000 0.000 3.728) 3.728 20.784 ( 0.000 0.000 -4.003) 4.003 20.951 ( 0.000 0.000 -4.875) 4.875 ======================= Grid point 87 (18/40) ======================= q-point: ( 0.17 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 6.491 3.506 20.604) 21.885 1.209 ( 14.314 8.509 17.689) 24.294 2.082 ( 0.058 -1.450 -1.566) 2.135 2.108 ( 0.538 2.725 1.931) 3.383 2.155 ( 6.286 2.696 27.477) 28.315 2.476 ( -1.361 -0.945 -0.660) 1.784 2.535 ( -3.610 -2.655 8.967) 10.024 2.548 ( 2.751 2.387 -1.010) 3.780 2.664 ( -9.321 -5.643 5.462) 12.189 2.870 ( -2.733 1.147 2.029) 3.592 2.919 ( 0.938 -2.299 1.233) 2.772 3.018 ( 3.644 1.907 1.267) 4.303 3.161 ( -2.368 -1.074 0.286) 2.616 3.192 ( -0.778 0.033 0.589) 0.977 3.333 ( 0.800 -1.253 -0.061) 1.488 3.367 ( 1.842 2.727 -0.813) 3.390 3.509 ( -0.290 0.052 0.406) 0.502 3.541 ( 2.469 0.916 1.219) 2.902 3.782 ( -1.554 -0.923 0.690) 1.935 3.864 ( -1.532 -0.695 -0.590) 1.783 3.885 ( -0.513 -0.276 2.706) 2.768 3.962 ( 1.856 0.961 -0.422) 2.132 4.096 ( -1.065 -0.621 1.956) 2.312 4.282 ( 4.727 2.711 -8.881) 10.420 4.447 ( -3.097 -1.952 -2.249) 4.297 4.483 ( -5.753 -3.571 1.740) 6.991 4.526 ( 1.202 1.220 -2.344) 2.903 4.583 ( -0.238 -0.163 2.948) 2.962 4.642 ( -1.413 -3.441 -2.732) 4.615 4.679 ( -0.536 3.000 -4.707) 5.608 4.828 ( 0.743 -0.175 -10.676) 10.703 4.927 ( -3.704 -3.566 1.237) 5.289 4.990 ( 0.624 2.459 -6.718) 7.181 5.066 ( 1.011 -0.212 -0.085) 1.037 5.429 ( -2.360 -2.515 -0.340) 3.466 5.446 ( -1.266 0.395 -2.997) 3.277 5.844 ( -2.814 -1.628 1.798) 3.715 5.879 ( 0.293 0.205 3.683) 3.700 5.932 ( 0.352 0.006 0.759) 0.837 6.022 ( -0.298 0.244 -1.152) 1.214 6.057 ( 2.578 1.213 -1.376) 3.164 6.203 ( 8.959 5.190 -4.254) 11.193 6.812 ( -10.040 -7.005 26.975) 29.623 6.848 ( -9.200 -3.746 24.999) 26.901 7.069 ( -0.290 -0.725 18.426) 18.443 7.265 ( 5.103 3.164 30.297) 30.886 7.583 ( 17.883 10.306 20.535) 29.116 8.645 ( -1.145 -0.661 -10.287) 10.372 8.947 ( -1.077 -0.275 3.845) 4.002 9.029 ( -0.577 -1.410 -6.237) 6.421 9.091 ( 2.318 2.107 -7.599) 8.219 9.836 ( 9.990 5.601 -7.197) 13.526 10.074 ( 2.386 1.886 11.201) 11.606 10.120 ( 5.933 3.049 10.559) 12.490 10.890 ( -2.541 -1.678 6.550) 7.223 10.900 ( -2.565 -1.147 7.472) 7.983 10.978 ( -3.619 -2.229 17.420) 17.931 11.618 ( -1.471 -0.818 -10.145) 10.284 11.683 ( 2.743 1.578 -2.015) 3.751 11.825 ( -0.481 -0.286 -10.314) 10.329 11.879 ( 4.109 2.352 -11.281) 12.235 12.326 ( -11.190 -6.450 15.749) 20.368 12.938 ( -9.877 -5.637 -0.648) 11.391 13.047 ( 0.909 1.533 11.039) 11.182 13.134 ( -3.449 -3.543 0.896) 5.025 13.403 ( 7.478 4.930 -15.516) 17.916 13.685 ( 12.689 7.218 -16.143) 21.764 14.398 ( -1.113 -0.690 -21.840) 21.879 14.774 ( -12.585 -7.215 7.678) 16.413 14.957 ( 2.045 1.145 7.565) 7.920 15.435 ( -0.855 -0.463 -5.042) 5.135 15.580 ( 9.482 5.444 -3.445) 11.464 16.855 ( -8.598 -4.776 12.128) 15.615 17.175 ( 0.718 -0.644 -12.523) 12.560 17.223 ( 2.568 2.366 -4.267) 5.513 17.858 ( -12.265 -7.081 6.418) 15.549 20.801 ( 1.323 0.765 -4.153) 4.425 20.948 ( -0.238 -0.138 -4.946) 4.954 ======================= Grid point 88 (19/40) ======================= q-point: ( 0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( 7.694 3.618 14.917) 17.170 1.581 ( 14.937 9.723 12.025) 21.500 2.060 ( -1.072 -1.771 -1.019) 2.307 2.150 ( 1.023 2.282 -0.204) 2.509 2.243 ( -0.604 -0.940 16.553) 16.591 2.373 ( -7.800 -4.579 7.344) 11.651 2.418 ( -3.678 -2.784 4.265) 6.283 2.506 ( -1.842 -0.603 3.559) 4.052 2.660 ( 4.023 2.248 2.898) 5.444 2.872 ( -0.437 6.480 2.542) 6.975 2.922 ( 3.776 -5.793 1.952) 7.185 3.081 ( 2.338 0.634 -1.014) 2.626 3.132 ( -0.027 1.784 -0.532) 1.862 3.169 ( -1.285 -0.007 -4.386) 4.571 3.332 ( 1.533 -2.920 1.245) 3.525 3.403 ( -2.055 3.383 0.094) 3.960 3.519 ( 1.141 0.312 0.341) 1.231 3.598 ( 2.751 0.410 1.547) 3.183 3.742 ( -3.389 -2.609 2.998) 5.223 3.791 ( -3.056 0.126 -3.575) 4.705 3.867 ( -0.486 -1.259 1.060) 1.716 4.005 ( 1.113 0.536 1.745) 2.137 4.086 ( 0.809 0.819 4.315) 4.465 4.310 ( -3.053 -2.121 1.429) 3.983 4.362 ( -4.473 -2.786 -0.555) 5.299 4.444 ( 1.276 -0.857 -1.862) 2.415 4.518 ( 0.564 0.630 -3.460) 3.561 4.572 ( 2.505 0.269 -0.785) 2.639 4.636 ( -0.322 1.442 2.395) 2.814 4.706 ( -2.096 4.972 -2.782) 6.070 4.793 ( -3.759 -4.077 3.665) 6.647 4.839 ( 1.914 -4.135 -3.032) 5.474 5.013 ( -2.681 4.001 -3.774) 6.119 5.113 ( 4.532 -0.864 -5.726) 7.353 5.394 ( 1.020 -2.389 -0.636) 2.674 5.421 ( -2.523 1.558 -2.894) 4.144 5.793 ( -1.531 -0.943 -0.198) 1.809 5.892 ( 0.074 0.688 1.814) 1.942 5.925 ( 0.014 -1.013 -0.294) 1.055 6.023 ( -0.036 0.507 -1.301) 1.397 6.125 ( 2.951 1.551 -2.137) 3.960 6.331 ( 1.981 1.208 -5.919) 6.358 6.621 ( -4.285 -4.423 27.001) 27.695 6.666 ( -7.267 -1.838 25.359) 26.443 7.064 ( 0.214 -0.536 17.496) 17.505 7.354 ( 2.198 1.524 28.631) 28.756 7.994 ( 15.634 9.026 15.799) 23.990 8.591 ( -3.707 -2.126 -6.176) 7.511 8.904 ( -2.332 -0.551 0.516) 2.451 9.005 ( -0.237 -2.205 -5.634) 6.055 9.146 ( 1.160 2.110 -6.526) 6.956 10.010 ( 3.651 0.789 1.317) 3.961 10.223 ( 7.680 7.851 3.546) 11.541 10.293 ( 8.903 2.870 8.255) 12.476 10.803 ( -3.339 -3.942 8.474) 9.924 10.805 ( -5.460 -0.536 7.568) 9.348 10.924 ( -1.242 -1.445 7.786) 8.016 11.572 ( -2.111 -1.046 -9.547) 9.833 11.729 ( 1.227 0.846 7.746) 7.888 11.813 ( -0.387 -0.401 -11.484) 11.497 11.998 ( 2.088 0.443 -1.865) 2.835 12.079 ( -4.807 -2.088 11.107) 12.281 12.674 ( -10.867 -5.758 -11.961) 17.155 13.079 ( -2.353 1.441 12.090) 12.401 13.134 ( 6.812 -0.309 1.909) 7.082 13.599 ( 7.836 5.961 -8.850) 13.239 13.961 ( 9.353 5.417 -14.740) 18.278 14.335 ( -4.871 -4.943 -15.460) 16.946 14.422 ( -13.668 -6.185 5.678) 16.041 15.008 ( 2.018 1.030 10.115) 10.365 15.438 ( 0.963 0.650 -8.295) 8.376 15.820 ( 8.881 4.984 -2.949) 10.602 16.636 ( -8.939 -4.317 6.319) 11.767 17.153 ( -0.939 -3.491 -1.200) 3.809 17.280 ( 0.827 2.866 -2.623) 3.972 17.612 ( -6.846 -4.096 -0.470) 7.992 20.839 ( 1.682 0.980 -4.467) 4.873 20.939 ( -0.572 -0.335 -5.063) 5.106 ======================= Grid point 89 (20/40) ======================= q-point: (-0.50 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( 0.000 0.000 11.516) 11.516 1.857 ( -0.000 -0.000 6.367) 6.367 1.975 ( 0.000 0.000 9.299) 9.299 2.157 ( 0.000 0.000 4.607) 4.607 2.202 ( 0.000 0.000 13.849) 13.849 2.278 ( 0.000 0.000 -1.445) 1.445 2.365 ( 0.000 0.000 1.725) 1.725 2.485 ( 0.000 0.000 1.959) 1.959 2.713 ( 0.000 0.000 2.761) 2.761 2.914 ( 0.000 -0.000 3.487) 3.487 2.927 ( -0.000 0.000 1.241) 1.241 3.115 ( 0.000 0.000 -4.021) 4.021 3.151 ( 0.000 0.000 -6.813) 6.813 3.180 ( 0.000 0.000 -2.241) 2.241 3.330 ( 0.000 0.000 4.336) 4.336 3.408 ( 0.000 0.000 1.312) 1.312 3.510 ( 0.000 0.000 5.765) 5.765 3.635 ( -0.000 0.000 0.982) 0.982 3.651 ( 0.000 0.000 4.264) 4.264 3.795 ( -0.000 -0.000 -4.258) 4.258 3.842 ( 0.000 0.000 -2.585) 2.585 4.011 ( 0.000 0.000 3.629) 3.629 4.122 ( 0.000 -0.000 4.594) 4.594 4.235 ( 0.000 0.000 3.002) 3.002 4.310 ( 0.000 0.000 -0.153) 0.153 4.441 ( -0.000 0.000 0.212) 0.212 4.529 ( 0.000 0.000 -0.612) 0.612 4.601 ( 0.000 0.000 4.482) 4.482 4.665 ( -0.000 0.000 1.649) 1.649 4.712 ( 0.000 -0.000 -3.322) 3.322 4.726 ( 0.000 0.000 -2.614) 2.614 4.837 ( 0.000 0.000 0.971) 0.971 5.001 ( 0.000 0.000 -4.259) 4.259 5.161 ( 0.000 0.000 -5.940) 5.940 5.397 ( -0.000 0.000 -2.829) 2.829 5.401 ( 0.000 -0.000 0.212) 0.212 5.773 ( 0.000 0.000 -1.266) 1.266 5.891 ( 0.000 0.000 0.825) 0.825 5.924 ( 0.000 0.000 -2.003) 2.003 6.027 ( 0.000 0.000 -1.404) 1.404 6.168 ( 0.000 0.000 -2.259) 2.259 6.342 ( 0.000 0.000 -5.503) 5.503 6.573 ( -0.000 0.000 24.905) 24.905 6.576 ( 0.000 -0.000 27.207) 27.207 7.063 ( 0.000 0.000 17.319) 17.319 7.380 ( 0.000 0.000 28.247) 28.247 8.231 ( 0.000 0.000 10.696) 10.696 8.505 ( 0.000 0.000 0.118) 0.118 8.877 ( 0.000 0.000 -1.090) 1.090 8.988 ( 0.000 0.000 -6.145) 6.145 9.168 ( 0.000 0.000 -5.794) 5.794 10.039 ( 0.000 0.000 4.837) 4.837 10.358 ( 0.000 0.000 2.980) 2.980 10.417 ( 0.000 0.000 6.447) 6.447 10.736 ( 0.000 0.000 7.549) 7.549 10.740 ( 0.000 0.000 5.915) 5.915 10.900 ( 0.000 0.000 6.050) 6.050 11.544 ( 0.000 0.000 -9.342) 9.342 11.750 ( 0.000 0.000 11.862) 11.862 11.807 ( 0.000 0.000 -12.160) 12.160 11.917 ( 0.000 0.000 22.659) 22.659 12.145 ( 0.000 0.000 -12.845) 12.845 12.515 ( 0.000 0.000 -12.714) 12.714 13.065 ( 0.000 0.000 13.735) 13.735 13.213 ( 0.000 0.000 -5.187) 5.187 13.756 ( 0.000 0.000 -4.075) 4.075 14.011 ( 0.000 0.000 2.793) 2.793 14.250 ( -0.000 0.000 -4.312) 4.312 14.273 ( 0.000 0.000 -19.819) 19.819 15.034 ( 0.000 0.000 11.607) 11.607 15.458 ( 0.000 0.000 -10.763) 10.763 15.932 ( 0.000 0.000 -2.955) 2.955 16.522 ( 0.000 0.000 5.408) 5.408 17.113 ( 0.000 0.000 7.116) 7.116 17.305 ( 0.000 0.000 -4.020) 4.020 17.534 ( 0.000 0.000 -6.838) 6.838 20.864 ( 0.000 0.000 -4.630) 4.630 20.928 ( 0.000 0.000 -5.111) 5.111 ======================= Grid point 94 (21/40) ======================= q-point: ( 0.17 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( 5.143 10.433 15.964) 19.752 1.463 ( 9.167 14.126 13.202) 21.398 2.062 ( -1.651 -0.766 0.555) 1.903 2.132 ( 1.857 0.062 -0.194) 1.868 2.256 ( 1.875 4.209 14.826) 15.525 2.421 ( -3.805 -6.890 7.564) 10.916 2.470 ( -3.051 -0.324 8.957) 9.468 2.520 ( -1.233 -6.976 3.447) 7.879 2.610 ( 0.922 2.285 2.410) 3.446 2.805 ( -0.334 -3.857 -0.067) 3.872 2.954 ( 0.325 5.507 2.020) 5.875 3.076 ( 0.669 3.072 -1.180) 3.358 3.147 ( 1.441 -2.752 1.737) 3.559 3.164 ( -0.517 -0.055 -3.134) 3.177 3.336 ( -2.824 0.656 -1.565) 3.295 3.408 ( 4.824 1.116 0.040) 4.951 3.532 ( 1.123 1.474 1.127) 2.169 3.562 ( -0.837 1.948 1.582) 2.645 3.761 ( -1.086 -0.801 -2.199) 2.580 3.808 ( -1.002 -4.959 0.020) 5.059 3.876 ( -1.393 -0.948 3.370) 3.768 3.997 ( 1.092 2.143 0.367) 2.433 4.076 ( -0.240 -0.743 4.327) 4.397 4.349 ( 0.770 -0.061 -3.211) 3.303 4.379 ( -4.280 -3.438 -1.725) 5.754 4.415 ( -0.914 -1.591 1.791) 2.564 4.516 ( 1.710 0.311 -2.204) 2.807 4.559 ( -3.016 -0.958 -1.440) 3.477 4.645 ( 0.804 0.435 -1.094) 1.426 4.706 ( 4.899 -1.774 0.327) 5.220 4.814 ( -2.317 0.437 -5.376) 5.870 4.847 ( -5.280 -3.104 4.464) 7.579 5.008 ( 4.693 0.571 -5.979) 7.622 5.115 ( -0.099 4.138 -4.411) 6.049 5.373 ( -2.624 -2.625 -1.125) 3.878 5.444 ( 0.864 -0.393 -2.309) 2.497 5.806 ( -1.059 -1.732 0.259) 2.046 5.883 ( 0.378 0.099 2.229) 2.262 5.935 ( -0.706 0.087 0.532) 0.888 6.017 ( 0.399 -0.382 -2.120) 2.191 6.111 ( 1.849 3.527 -1.710) 4.334 6.311 ( 2.004 3.379 -5.768) 6.978 6.637 ( -4.478 -6.549 26.897) 28.043 6.783 ( -1.785 -6.186 26.909) 27.669 6.935 ( -4.299 -5.342 19.207) 20.395 7.439 ( 4.872 8.197 25.918) 27.616 7.864 ( 9.062 15.717 17.539) 25.234 8.611 ( -1.713 -2.985 -7.820) 8.544 8.934 ( 0.436 -1.871 1.241) 2.288 8.998 ( -3.063 -0.323 -5.079) 5.940 9.129 ( 1.994 0.840 -7.579) 7.882 10.029 ( 3.854 11.668 -6.070) 13.705 10.110 ( 4.530 1.410 11.096) 12.068 10.256 ( 4.139 8.866 8.166) 12.745 10.811 ( -2.520 -4.420 8.368) 9.794 10.881 ( 0.577 -3.003 7.037) 7.673 10.903 ( -4.244 -3.120 10.182) 11.464 11.588 ( -1.015 -1.997 -9.611) 9.869 11.722 ( 1.102 1.764 6.000) 6.351 11.812 ( -0.552 -0.733 -11.229) 11.266 11.981 ( 3.829 7.185 -12.326) 14.772 12.124 ( -6.180 -11.177 20.523) 24.173 12.782 ( -6.025 -11.817 -15.284) 20.237 12.935 ( -2.052 -3.097 9.022) 9.757 13.229 ( 2.971 7.922 14.184) 16.515 13.542 ( 5.826 7.489 -14.297) 17.159 13.891 ( 6.110 10.831 -15.434) 19.820 14.365 ( -2.514 -2.834 -20.435) 20.784 14.506 ( -9.085 -16.901 9.877) 21.581 14.997 ( 1.286 2.428 9.592) 9.978 15.430 ( 0.358 0.475 -7.266) 7.290 15.768 ( 6.345 11.181 -2.971) 13.194 16.681 ( -5.892 -11.401 6.234) 14.267 17.189 ( -2.794 2.465 -8.946) 9.691 17.253 ( 3.365 -0.575 2.913) 4.488 17.659 ( -5.588 -9.554 1.953) 11.239 20.829 ( 1.071 1.843 -4.399) 4.888 20.942 ( -0.314 -0.538 -5.033) 5.072 ======================= Grid point 95 (22/40) ======================= q-point: ( 0.33 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( 1.147 10.479 10.479) 14.864 1.767 ( 10.999 6.764 9.464) 16.009 1.993 ( -4.265 -5.515 5.294) 8.753 2.155 ( 0.928 1.600 4.854) 5.195 2.260 ( -3.630 0.553 11.419) 11.994 2.292 ( -2.049 -3.127 -0.988) 3.867 2.388 ( -3.723 -0.111 6.284) 7.305 2.469 ( -0.276 -2.654 2.298) 3.522 2.631 ( 4.471 -6.928 4.671) 9.477 2.802 ( 1.387 -0.257 0.409) 1.469 3.051 ( 0.047 6.372 -0.337) 6.381 3.109 ( 0.489 1.005 -3.538) 3.710 3.129 ( -0.055 -0.964 -2.345) 2.537 3.210 ( 2.837 3.999 -1.590) 5.154 3.301 ( -0.785 -0.206 -0.453) 0.929 3.476 ( -1.771 3.379 1.023) 3.950 3.535 ( -0.488 1.731 2.049) 2.726 3.600 ( 2.603 -0.036 3.333) 4.229 3.698 ( -5.195 -1.230 4.130) 6.750 3.758 ( 1.783 -3.064 -3.649) 5.087 3.821 ( -0.620 -3.934 0.105) 3.984 4.025 ( -0.293 1.624 1.384) 2.154 4.106 ( 2.368 1.378 5.809) 6.423 4.253 ( -3.900 -3.700 1.824) 5.677 4.325 ( -0.963 0.044 0.022) 0.965 4.412 ( 1.725 -1.098 2.964) 3.601 4.494 ( -0.821 -3.189 -0.840) 3.399 4.578 ( 1.733 1.248 -0.916) 2.323 4.683 ( -2.439 -3.699 6.412) 7.794 4.690 ( 1.533 -3.038 -2.194) 4.049 4.778 ( 2.389 1.978 -0.392) 3.126 4.808 ( -2.798 3.726 -4.420) 6.423 5.110 ( -5.289 4.754 -3.785) 8.057 5.126 ( 5.083 2.379 -4.950) 7.483 5.321 ( 1.029 -4.407 -1.601) 4.800 5.446 ( -0.656 0.407 -0.987) 1.254 5.779 ( -0.651 -0.371 -1.419) 1.604 5.893 ( 0.399 -0.455 0.215) 0.642 5.913 ( -0.485 -0.358 -0.887) 1.073 6.023 ( 0.339 -0.275 -3.189) 3.219 6.183 ( 1.081 3.853 -2.125) 4.531 6.331 ( -0.004 -1.576 -4.940) 5.186 6.552 ( -0.607 -1.071 27.723) 27.750 6.658 ( -6.203 0.114 24.923) 25.684 6.877 ( 5.870 -11.272 20.912) 24.471 7.548 ( -3.329 10.607 23.989) 26.440 8.175 ( 9.197 8.653 12.183) 17.546 8.513 ( -3.738 -5.715 -0.555) 6.852 8.908 ( -2.197 0.615 -0.725) 2.394 8.964 ( 0.823 -1.433 -7.010) 7.202 9.155 ( 0.820 -0.961 -5.860) 5.995 10.101 ( -2.420 6.946 6.765) 9.994 10.302 ( 8.718 1.328 1.797) 9.000 10.385 ( 1.828 3.097 5.180) 6.306 10.744 ( -1.320 -1.435 7.474) 7.724 10.783 ( -4.572 -1.796 6.058) 7.799 10.864 ( 1.299 -3.068 6.623) 7.414 11.554 ( -0.907 -0.662 -9.462) 9.528 11.757 ( 0.323 1.889 12.279) 12.428 11.804 ( 0.736 -0.184 -10.971) 10.998 11.923 ( -4.243 -5.616 21.159) 22.299 12.150 ( 4.109 7.400 -12.631) 15.205 12.542 ( -6.636 -8.178 -14.417) 17.854 12.910 ( 3.763 -6.847 6.486) 10.154 13.381 ( -1.047 15.117 8.193) 17.227 13.727 ( 7.057 5.380 -7.252) 11.460 14.019 ( -4.256 -6.655 0.859) 7.946 14.173 ( 0.300 -2.766 -9.980) 10.360 14.322 ( -3.181 -4.188 -14.142) 15.088 15.037 ( 0.566 1.397 12.183) 12.276 15.455 ( 0.807 0.990 -10.810) 10.885 15.970 ( 2.557 9.385 -2.631) 10.076 16.464 ( -2.518 -12.006 2.546) 12.529 17.162 ( -2.554 4.094 5.454) 7.282 17.298 ( 1.423 -1.129 3.886) 4.290 17.518 ( -1.578 -4.389 -10.666) 11.641 20.867 ( 0.763 1.631 -4.693) 5.027 20.926 ( -0.407 -0.905 -5.078) 5.174 ======================= Grid point 96 (23/40) ======================= q-point: (-0.50 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( -9.097 4.289 10.328) 14.416 1.742 ( -11.273 -5.476 9.485) 15.718 2.005 ( 6.545 0.223 5.271) 8.406 2.169 ( -3.868 -1.645 7.386) 8.498 2.240 ( 3.616 5.313 3.853) 7.493 2.293 ( 2.999 0.173 4.577) 5.475 2.396 ( 2.346 4.024 3.702) 5.950 2.459 ( 2.376 -2.540 4.401) 5.610 2.637 ( 3.513 -6.933 5.678) 9.625 2.802 ( -0.727 -1.334 -0.026) 1.519 3.046 ( -3.703 3.019 -0.787) 4.842 3.124 ( -0.977 -0.207 -3.026) 3.186 3.130 ( 0.308 -0.646 -3.973) 4.037 3.189 ( -5.470 0.644 -1.098) 5.616 3.336 ( 2.064 -1.248 -1.708) 2.956 3.433 ( -4.766 3.641 3.065) 6.736 3.540 ( -1.074 2.531 4.067) 4.909 3.622 ( -1.212 -3.282 1.907) 3.985 3.680 ( 4.778 3.752 2.087) 6.424 3.760 ( 0.382 -2.184 -2.399) 3.267 3.830 ( 4.648 -1.556 0.017) 4.901 4.028 ( -1.257 1.138 1.488) 2.257 4.097 ( -2.497 -1.172 5.594) 6.237 4.265 ( 5.778 1.272 2.626) 6.473 4.317 ( 0.189 0.768 0.619) 1.004 4.426 ( 0.338 -2.575 -0.915) 2.754 4.500 ( 4.315 -0.804 2.120) 4.874 4.593 ( -1.363 -1.919 -0.485) 2.403 4.640 ( -0.163 -0.411 0.270) 0.518 4.658 ( -0.206 1.382 0.717) 1.570 4.794 ( -0.456 -0.182 3.650) 3.683 4.844 ( 1.206 0.878 -5.394) 5.596 5.047 ( -5.572 3.686 -4.528) 8.071 5.183 ( -1.855 0.808 -5.449) 5.813 5.323 ( 4.216 -3.649 -1.147) 5.692 5.439 ( -0.725 1.134 -0.764) 1.548 5.779 ( 0.694 0.374 -1.390) 1.598 5.882 ( -0.071 -0.249 0.740) 0.784 5.927 ( 1.085 -0.139 -1.224) 1.642 6.019 ( -0.276 -0.366 -3.625) 3.653 6.184 ( -3.826 0.981 -1.866) 4.368 6.329 ( 1.339 -0.767 -5.007) 5.240 6.562 ( 1.752 -0.667 27.973) 28.036 6.642 ( 2.156 5.755 24.816) 25.565 6.884 ( 7.228 -10.434 20.769) 24.341 7.547 ( -7.597 8.227 24.049) 26.529 8.174 ( -12.089 -3.632 12.203) 17.557 8.513 ( 6.801 0.383 -0.614) 6.839 8.898 ( -0.080 1.797 -3.258) 3.722 8.984 ( 2.318 -1.232 -3.556) 4.420 9.144 ( -0.533 -0.932 -6.771) 6.855 10.118 ( -3.505 6.507 7.718) 10.686 10.267 ( -7.133 -6.639 1.032) 9.799 10.404 ( -3.169 -1.290 4.869) 5.951 10.743 ( 1.746 0.464 6.967) 7.198 10.775 ( 3.391 2.795 7.055) 8.312 10.874 ( 2.727 -2.452 6.340) 7.324 11.552 ( 0.898 0.514 -9.541) 9.597 11.753 ( -1.798 0.663 10.962) 11.128 11.808 ( -0.198 -0.722 -9.594) 9.623 11.927 ( 7.441 0.737 21.493) 22.756 12.148 ( -8.880 0.221 -12.964) 15.715 12.536 ( 10.025 1.726 -14.252) 17.511 12.912 ( 4.148 -6.578 6.114) 9.892 13.396 ( -11.795 8.461 9.950) 17.599 13.704 ( -8.465 -3.294 -9.497) 13.142 14.014 ( 6.314 0.396 -0.179) 6.329 14.208 ( 4.839 -3.265 -4.527) 7.388 14.302 ( 3.944 1.985 -17.920) 18.456 15.038 ( -1.396 0.168 12.138) 12.219 15.454 ( -1.327 -0.178 -10.714) 10.797 15.972 ( -9.359 2.441 -2.826) 10.077 16.456 ( 11.136 -3.574 2.740) 12.012 17.201 ( 0.425 6.120 11.005) 12.600 17.260 ( -2.027 -3.800 -2.867) 5.174 17.522 ( 4.660 -0.895 -9.512) 10.630 20.867 ( -1.799 0.158 -4.691) 5.026 20.926 ( 0.989 -0.103 -5.078) 5.175 ======================= Grid point 101 (24/40) ======================= q-point: ( 0.33 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( 0.000 -0.000 5.546) 5.546 1.866 ( -2.544 -5.088 9.094) 10.727 1.866 ( 2.544 5.088 9.094) 10.727 2.234 ( -1.266 -2.533 10.315) 10.697 2.234 ( 1.266 2.533 10.315) 10.697 2.247 ( 0.000 0.000 -6.454) 6.454 2.417 ( -0.526 -1.052 6.033) 6.147 2.417 ( 0.526 1.052 6.033) 6.147 2.511 ( -0.000 0.000 0.957) 0.957 2.819 ( -0.000 -0.000 1.354) 1.354 3.113 ( -0.317 -0.635 -3.966) 4.029 3.113 ( 0.317 0.635 -3.966) 4.029 3.114 ( -0.000 0.000 -2.812) 2.812 3.288 ( -1.148 -2.297 -3.597) 4.419 3.288 ( 1.148 2.297 -3.597) 4.419 3.533 ( -0.000 -0.000 5.786) 5.786 3.585 ( -0.665 -1.330 2.885) 3.246 3.585 ( 0.665 1.330 2.885) 3.246 3.708 ( -1.779 -3.558 2.744) 4.832 3.708 ( 1.779 3.558 2.744) 4.832 3.729 ( -0.000 -0.000 -1.266) 1.266 4.049 ( -0.000 -0.000 0.023) 0.023 4.163 ( -1.968 -3.936 3.510) 5.629 4.163 ( 1.968 3.936 3.510) 5.629 4.372 ( -1.696 -3.391 1.692) 4.152 4.372 ( 1.696 3.391 1.692) 4.152 4.443 ( -0.000 -0.000 3.902) 3.902 4.592 ( -0.000 -0.000 -0.639) 0.639 4.642 ( -0.386 -0.772 2.193) 2.357 4.642 ( 0.386 0.772 2.193) 2.357 4.832 ( -0.726 -1.453 -3.464) 3.826 4.832 ( 0.726 1.453 -3.464) 3.826 5.185 ( -0.871 -1.742 -4.463) 4.870 5.185 ( 0.871 1.742 -4.463) 4.870 5.225 ( -0.000 0.000 -0.254) 0.254 5.448 ( -0.000 -0.000 0.181) 0.181 5.775 ( -0.000 -0.000 -2.203) 2.203 5.897 ( -0.533 -1.066 -0.837) 1.457 5.897 ( 0.533 1.066 -0.837) 1.457 6.020 ( -0.000 -0.000 -5.131) 5.131 6.269 ( -1.807 -3.614 -3.154) 5.126 6.269 ( 1.807 3.614 -3.154) 5.126 6.553 ( -0.000 -0.000 30.148) 30.148 6.700 ( -2.389 -4.778 22.371) 23.000 6.700 ( 2.389 4.778 22.371) 23.000 7.668 ( -0.000 -0.000 22.165) 22.165 8.358 ( -3.966 -7.932 6.932) 11.256 8.358 ( 3.966 7.932 6.932) 11.256 8.932 ( -0.854 -1.707 -4.738) 5.108 8.932 ( 0.854 1.707 -4.738) 5.108 9.142 ( -0.000 -0.000 -6.067) 6.067 10.198 ( -0.000 -0.000 14.625) 14.625 10.356 ( -2.166 -4.333 -0.548) 4.875 10.356 ( 2.166 4.333 -0.548) 4.875 10.746 ( -0.567 -1.133 6.256) 6.383 10.746 ( 0.567 1.133 6.256) 6.383 10.831 ( 0.000 -0.000 6.798) 6.798 11.548 ( -0.000 -0.000 -9.847) 9.847 11.802 ( -0.000 -0.000 -13.790) 13.790 11.818 ( -1.764 -3.528 19.569) 19.962 11.818 ( 1.764 3.528 19.569) 19.962 12.340 ( -4.642 -9.283 -14.058) 17.474 12.340 ( 4.642 9.283 -14.058) 17.474 12.842 ( -0.000 -0.000 5.394) 5.394 13.716 ( -6.969 -13.937 12.421) 19.927 13.716 ( 6.969 13.937 12.421) 19.927 13.794 ( -0.000 -0.000 -12.451) 12.451 14.235 ( -1.819 -3.639 -16.576) 17.068 14.235 ( 1.819 3.639 -16.576) 17.068 15.052 ( -0.000 -0.000 13.491) 13.491 15.469 ( -0.000 -0.000 -12.236) 12.236 16.199 ( -5.621 -11.242 -1.205) 12.627 16.199 ( 5.621 11.242 -1.205) 12.627 17.252 ( -1.174 -2.348 11.362) 11.661 17.252 ( 1.174 2.348 11.362) 11.661 17.462 ( 0.000 0.000 -21.897) 21.897 20.901 ( -0.687 -1.374 -4.954) 5.187 20.901 ( 0.687 1.374 -4.954) 5.187 ======================= Grid point 129 (25/40) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( -0.000 0.000 18.463) 18.463 1.436 ( 0.000 0.000 18.463) 18.463 1.994 ( -0.000 0.000 -4.809) 4.809 1.994 ( -0.000 0.000 -4.809) 4.809 2.479 ( 0.000 -0.000 1.974) 1.974 2.479 ( 0.000 0.000 1.974) 1.974 2.724 ( 0.000 0.000 6.418) 6.418 2.800 ( 0.000 0.000 25.908) 25.908 2.908 ( 0.000 0.000 -2.515) 2.515 2.908 ( 0.000 0.000 -2.515) 2.515 2.942 ( -0.000 0.000 0.993) 0.993 3.016 ( -0.000 0.000 4.832) 4.832 3.228 ( -0.000 0.000 3.119) 3.119 3.228 ( -0.000 -0.000 3.119) 3.119 3.305 ( 0.000 0.000 -1.149) 1.149 3.305 ( -0.000 0.000 -1.149) 1.149 3.523 ( -0.000 0.000 -0.104) 0.104 3.523 ( 0.000 0.000 -0.104) 0.104 3.808 ( -0.000 0.000 0.007) 0.007 3.851 ( 0.000 0.000 -3.726) 3.726 3.851 ( -0.000 0.000 -3.726) 3.726 3.912 ( 0.000 -0.000 -3.360) 3.360 4.087 ( 0.000 0.000 0.469) 0.469 4.230 ( 0.000 0.000 6.912) 6.912 4.431 ( -0.000 0.000 -1.253) 1.253 4.431 ( -0.000 0.000 -1.253) 1.253 4.444 ( -0.000 -0.000 -15.280) 15.280 4.624 ( 0.000 0.000 -0.744) 0.744 4.624 ( 0.000 0.000 -0.744) 0.744 4.677 ( 0.000 0.000 3.571) 3.571 4.677 ( -0.000 -0.000 3.571) 3.571 4.822 ( -0.000 0.000 -7.353) 7.353 4.822 ( -0.000 -0.000 -7.353) 7.353 5.021 ( 0.000 0.000 -11.106) 11.106 5.477 ( -0.000 0.000 4.470) 4.470 5.494 ( 0.000 0.000 1.219) 1.219 5.923 ( 0.000 0.000 0.530) 0.530 5.923 ( 0.000 0.000 0.530) 0.530 5.961 ( -0.000 0.000 3.914) 3.914 6.002 ( 0.000 0.000 -1.453) 1.453 6.002 ( 0.000 0.000 -1.453) 1.453 6.081 ( 0.000 -0.000 1.851) 1.851 7.425 ( 0.000 0.000 20.929) 20.929 7.425 ( 0.000 -0.000 20.929) 20.929 7.490 ( -0.000 -0.000 14.450) 14.450 7.839 ( 0.000 0.000 27.382) 27.382 7.839 ( 0.000 -0.000 27.382) 27.382 8.409 ( -0.000 0.000 -13.640) 13.640 8.997 ( 0.000 0.000 4.047) 4.047 8.997 ( 0.000 0.000 4.047) 4.047 9.052 ( 0.000 0.000 6.132) 6.132 9.542 ( -0.000 0.000 -8.552) 8.552 10.204 ( 0.000 0.000 0.181) 0.181 10.204 ( 0.000 0.000 0.181) 0.181 11.064 ( 0.000 0.000 7.728) 7.728 11.064 ( -0.000 0.000 7.728) 7.728 11.408 ( 0.000 -0.000 -8.060) 8.060 11.408 ( -0.000 0.000 -8.060) 8.060 11.584 ( 0.000 0.000 28.142) 28.142 11.707 ( 0.000 0.000 -3.011) 3.011 11.707 ( -0.000 0.000 -3.011) 3.011 12.727 ( 0.000 0.000 14.276) 14.276 12.795 ( 0.000 0.000 -26.706) 26.706 12.795 ( 0.000 0.000 -26.706) 26.706 13.108 ( 0.000 0.000 -19.273) 19.273 13.470 ( 0.000 -0.000 22.684) 22.684 13.470 ( 0.000 0.000 22.684) 22.684 13.942 ( 0.000 0.000 -23.611) 23.611 14.818 ( 0.000 0.000 -16.057) 16.057 14.818 ( 0.000 0.000 -16.057) 16.057 15.585 ( -0.000 0.000 16.306) 16.306 15.585 ( -0.000 0.000 16.306) 16.306 16.832 ( 0.000 0.000 -18.990) 18.990 16.832 ( 0.000 -0.000 -18.990) 18.990 17.443 ( 0.000 0.000 21.931) 21.931 18.094 ( 0.000 0.000 0.673) 0.673 20.711 ( 0.000 0.000 -2.842) 2.842 20.840 ( -0.000 -0.000 -5.815) 5.815 ======================= Grid point 130 (26/40) ======================= q-point: ( 0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( 2.967 1.551 16.640) 16.973 1.545 ( 8.312 4.960 14.948) 17.808 1.996 ( 0.265 0.102 -4.557) 4.566 2.027 ( 2.461 1.495 -4.453) 5.303 2.455 ( -1.491 -0.917 3.973) 4.342 2.498 ( 1.344 0.830 2.704) 3.132 2.693 ( -2.392 -1.391 7.375) 7.877 2.795 ( -7.425 -4.577 5.553) 10.340 2.842 ( 0.903 -0.210 17.787) 17.811 2.896 ( -1.716 2.192 0.140) 2.787 2.945 ( 2.427 -1.084 1.180) 2.908 3.036 ( 0.333 0.313 1.346) 1.422 3.149 ( -3.817 -2.241 -0.438) 4.448 3.185 ( -2.703 -1.171 -0.667) 3.021 3.336 ( 2.144 -1.288 0.047) 2.502 3.345 ( 1.157 3.114 -1.284) 3.561 3.507 ( -0.982 -0.399 -0.213) 1.081 3.530 ( 0.813 0.177 -1.511) 1.725 3.758 ( -2.138 -1.139 0.846) 2.566 3.847 ( -0.153 -1.958 -3.937) 4.399 3.863 ( -2.516 0.846 -4.103) 4.887 3.930 ( 2.170 0.729 -4.079) 4.677 4.192 ( 5.878 3.675 1.897) 7.187 4.205 ( -0.127 -0.353 4.087) 4.104 4.375 ( -1.389 -0.793 -2.690) 3.129 4.449 ( 0.088 0.148 -1.516) 1.526 4.492 ( 3.816 2.192 -0.423) 4.421 4.620 ( -0.500 0.392 -0.203) 0.667 4.625 ( 0.287 -0.775 0.113) 0.834 4.660 ( -1.428 -0.728 3.147) 3.532 4.734 ( 2.759 1.877 0.181) 3.342 4.822 ( 0.077 -0.280 -7.229) 7.235 4.850 ( 2.890 1.758 -6.652) 7.463 5.024 ( 0.067 0.151 -8.861) 8.862 5.431 ( -3.384 -2.405 2.849) 5.035 5.447 ( -2.736 -1.183 1.441) 3.311 5.872 ( -3.330 -1.862 1.219) 4.006 5.939 ( -0.789 -1.406 1.476) 2.186 5.954 ( 0.250 0.718 1.723) 1.883 5.994 ( -0.658 0.413 -1.451) 1.646 6.031 ( 2.287 0.831 -0.973) 2.621 6.148 ( 4.200 2.440 -2.157) 5.315 7.321 ( -7.685 -5.511 22.674) 24.567 7.331 ( -7.061 -2.898 22.560) 23.816 7.441 ( -0.513 -0.403 18.551) 18.563 7.875 ( 2.220 1.279 24.865) 24.997 8.017 ( 10.442 6.025 17.011) 20.849 8.402 ( -0.559 -0.323 -13.426) 13.442 8.968 ( -2.368 0.326 5.760) 6.237 9.009 ( 1.682 -1.586 4.191) 4.787 9.100 ( 3.584 2.977 7.816) 9.099 9.670 ( 9.314 5.320 -8.997) 14.000 10.227 ( 1.928 1.242 -0.457) 2.338 10.262 ( 4.563 2.530 -0.484) 5.240 11.037 ( -2.243 -1.186 7.885) 8.283 11.049 ( -1.664 -1.019 7.789) 8.030 11.230 ( -9.095 -5.389 7.418) 12.915 11.407 ( -0.199 -0.051 -6.487) 6.490 11.644 ( 3.196 1.871 -6.969) 7.892 11.681 ( -1.893 -1.035 -3.838) 4.403 11.855 ( 8.771 4.974 16.633) 19.450 12.578 ( -11.093 -6.366 -17.290) 21.506 12.657 ( -6.939 -3.905 9.771) 12.604 12.803 ( 0.443 0.218 -25.239) 25.244 13.252 ( 6.154 2.987 -15.428) 16.877 13.503 ( 2.908 3.949 14.582) 15.385 13.550 ( 7.410 2.515 19.510) 21.021 13.949 ( 0.340 0.172 -21.279) 21.282 14.757 ( -5.754 -3.289 -10.492) 12.410 14.845 ( 2.169 1.226 -16.438) 16.626 15.575 ( -0.667 -0.385 17.013) 17.031 15.637 ( 4.465 2.576 10.817) 11.982 16.739 ( -7.263 -4.071 -16.495) 18.477 16.841 ( 0.785 0.317 -19.223) 19.242 17.458 ( 1.147 0.684 19.035) 19.081 17.973 ( -9.106 -5.262 3.835) 11.194 20.723 ( 0.961 0.555 -3.151) 3.341 20.837 ( -0.273 -0.158 -5.786) 5.794 ======================= Grid point 131 (27/40) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( 3.321 1.476 12.586) 13.100 1.774 ( 9.098 5.452 7.309) 12.881 2.015 ( 1.509 1.450 -2.865) 3.548 2.094 ( 2.699 1.663 -3.803) 4.951 2.421 ( -1.350 -1.550 6.290) 6.617 2.528 ( 0.806 0.515 5.351) 5.436 2.586 ( -8.643 -4.431 10.141) 14.042 2.624 ( -3.325 -2.179 9.995) 10.757 2.808 ( -1.450 -0.501 7.324) 7.483 2.918 ( 0.640 1.805 0.254) 1.931 2.972 ( 1.586 -3.177 2.424) 4.300 3.034 ( 0.422 -0.577 -2.399) 2.503 3.081 ( -4.813 1.905 -3.730) 6.380 3.136 ( -0.436 -1.739 -0.348) 1.826 3.357 ( 1.433 -0.048 -1.042) 1.773 3.394 ( 0.758 2.356 -2.579) 3.574 3.501 ( 1.378 -0.366 -1.210) 1.870 3.559 ( 2.224 0.504 -3.492) 4.171 3.732 ( -0.431 -0.526 -0.108) 0.689 3.775 ( -6.507 -0.039 -5.355) 8.427 3.811 ( -0.273 -2.635 -1.422) 3.007 3.976 ( 1.620 0.643 -4.401) 4.733 4.169 ( -0.402 -0.008 4.249) 4.268 4.348 ( 1.915 -0.038 2.926) 3.498 4.405 ( 3.742 2.269 7.010) 8.264 4.468 ( -0.712 2.263 1.265) 2.689 4.518 ( 1.902 -0.723 3.969) 4.460 4.604 ( 0.228 -1.651 1.331) 2.133 4.643 ( -1.333 1.983 1.443) 2.791 4.672 ( 3.543 1.787 -0.272) 3.978 4.792 ( -0.459 2.704 0.672) 2.824 4.810 ( 2.183 -3.202 -4.655) 6.057 4.942 ( 3.543 2.356 -6.224) 7.539 5.014 ( -1.733 0.156 -3.814) 4.192 5.348 ( -1.864 -2.533 -1.144) 3.346 5.406 ( -1.082 0.224 0.130) 1.113 5.795 ( -2.776 -1.680 0.548) 3.290 5.898 ( -1.703 -1.731 -1.601) 2.909 5.929 ( -1.724 -0.870 1.206) 2.277 6.000 ( -0.224 1.070 -0.954) 1.451 6.086 ( 2.517 0.911 -1.447) 3.043 6.222 ( 1.561 0.972 -4.847) 5.184 7.156 ( -4.353 -3.960 25.018) 25.701 7.179 ( -5.939 -1.852 24.237) 25.023 7.433 ( -0.141 -0.235 18.815) 18.817 7.917 ( 1.188 0.676 22.198) 22.240 8.224 ( 6.119 3.508 2.296) 7.417 8.383 ( -0.945 -0.555 -12.657) 12.705 8.950 ( -1.336 2.435 8.292) 8.745 9.037 ( 4.505 -2.661 9.460) 10.811 9.189 ( 1.413 3.120 11.168) 11.682 9.893 ( 7.891 4.078 -9.814) 13.236 10.303 ( 4.091 3.205 -3.426) 6.224 10.382 ( 4.686 2.220 -2.629) 5.814 10.953 ( -5.831 -1.693 8.695) 10.605 10.969 ( -2.800 -3.006 8.596) 9.527 11.094 ( -2.109 -1.948 10.349) 10.740 11.394 ( -1.058 -0.285 -2.916) 3.115 11.625 ( -2.171 -0.882 -6.915) 7.302 11.744 ( 4.557 2.323 -13.768) 14.688 12.035 ( 6.228 3.141 20.274) 21.440 12.324 ( -9.590 -4.847 -20.348) 23.011 12.483 ( -7.039 -4.009 20.600) 22.135 12.825 ( 1.295 0.778 -25.911) 25.956 13.305 ( 0.932 -1.574 0.655) 1.943 13.661 ( 5.214 9.480 -2.857) 11.190 13.762 ( 11.754 2.373 11.096) 16.338 13.941 ( -1.230 -1.150 -15.941) 16.029 14.548 ( -10.869 -6.048 1.029) 12.480 14.909 ( 2.768 1.505 -17.310) 17.594 15.561 ( -0.436 -0.257 17.938) 17.946 15.773 ( 5.885 3.390 0.962) 6.859 16.539 ( -8.304 -4.435 -13.446) 16.414 16.859 ( 0.852 0.015 -19.537) 19.555 17.493 ( 1.759 1.314 15.078) 15.237 17.736 ( -9.293 -5.508 8.663) 13.847 20.751 ( 1.256 0.731 -3.850) 4.115 20.827 ( -0.532 -0.311 -5.641) 5.675 ======================= Grid point 132 (28/40) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( 0.000 0.000 10.345) 10.345 1.888 ( 0.000 0.000 0.008) 0.008 2.073 ( 0.000 0.000 -0.413) 0.413 2.135 ( 0.000 0.000 -4.439) 4.439 2.365 ( 0.000 0.000 10.722) 10.722 2.479 ( 0.000 -0.000 11.231) 11.231 2.553 ( -0.000 -0.000 6.092) 6.092 2.555 ( 0.000 0.000 13.740) 13.740 2.798 ( 0.000 0.000 4.544) 4.544 2.946 ( 0.000 -0.000 -0.862) 0.862 2.967 ( 0.000 0.000 2.427) 2.427 3.028 ( 0.000 0.000 -4.643) 4.643 3.034 ( 0.000 0.000 -3.962) 3.962 3.122 ( 0.000 0.000 -2.981) 2.981 3.372 ( 0.000 0.000 -2.099) 2.099 3.413 ( 0.000 -0.000 -1.655) 1.655 3.524 ( 0.000 0.000 -3.718) 3.718 3.630 ( 0.000 0.000 -4.924) 4.924 3.647 ( -0.000 0.000 -4.291) 4.291 3.736 ( 0.000 0.000 -6.599) 6.599 3.804 ( 0.000 0.000 5.906) 5.906 3.994 ( 0.000 0.000 -4.342) 4.342 4.168 ( 0.000 0.000 6.534) 6.534 4.351 ( 0.000 0.000 7.178) 7.178 4.409 ( 0.000 -0.000 5.746) 5.746 4.487 ( 0.000 0.000 4.459) 4.459 4.580 ( -0.000 0.000 4.403) 4.403 4.597 ( 0.000 0.000 -0.268) 0.268 4.652 ( 0.000 -0.000 -1.367) 1.367 4.717 ( 0.000 0.000 3.966) 3.966 4.754 ( 0.000 -0.000 -1.649) 1.649 4.863 ( -0.000 0.000 0.685) 0.685 4.957 ( 0.000 -0.000 0.559) 0.559 5.008 ( 0.000 0.000 -8.941) 8.941 5.324 ( -0.000 0.000 -3.048) 3.048 5.402 ( 0.000 0.000 -0.391) 0.391 5.756 ( 0.000 0.000 -0.296) 0.296 5.866 ( 0.000 -0.000 -3.377) 3.377 5.906 ( 0.000 0.000 0.914) 0.914 6.003 ( 0.000 0.000 -1.136) 1.136 6.119 ( 0.000 0.000 -2.103) 2.103 6.234 ( 0.000 0.000 -4.974) 4.974 7.097 ( -0.000 -0.000 25.436) 25.436 7.112 ( 0.000 0.000 24.981) 24.981 7.431 ( 0.000 0.000 18.755) 18.755 7.931 ( 0.000 0.000 21.345) 21.345 8.297 ( 0.000 0.000 -5.740) 5.740 8.367 ( 0.000 0.000 -11.382) 11.382 8.952 ( 0.000 0.000 6.859) 6.859 9.085 ( 0.000 0.000 16.486) 16.486 9.207 ( 0.000 0.000 12.191) 12.191 9.986 ( 0.000 0.000 -9.084) 9.084 10.392 ( 0.000 0.000 -10.268) 10.268 10.426 ( 0.000 -0.000 -1.723) 1.723 10.888 ( 0.000 0.000 10.874) 10.874 10.914 ( 0.000 0.000 9.277) 9.277 11.068 ( 0.000 0.000 10.870) 10.870 11.378 ( 0.000 0.000 -0.921) 0.921 11.599 ( 0.000 0.000 -8.526) 8.526 11.813 ( 0.000 0.000 -14.907) 14.907 12.133 ( 0.000 0.000 19.845) 19.845 12.181 ( 0.000 0.000 -19.109) 19.109 12.382 ( 0.000 0.000 22.857) 22.857 12.845 ( 0.000 0.000 -26.387) 26.387 13.301 ( 0.000 0.000 3.593) 3.593 13.806 ( -0.000 -0.000 -16.289) 16.289 13.873 ( 0.000 0.000 -3.313) 3.313 13.934 ( 0.000 0.000 6.877) 6.877 14.368 ( 0.000 0.000 7.017) 7.017 14.947 ( 0.000 0.000 -17.927) 17.927 15.555 ( 0.000 0.000 18.257) 18.257 15.855 ( 0.000 0.000 -2.691) 2.691 16.428 ( 0.000 0.000 -12.869) 12.869 16.867 ( 0.000 0.000 -19.582) 19.582 17.553 ( 0.000 0.000 15.208) 15.208 17.580 ( -0.000 -0.000 9.055) 9.055 20.770 ( 0.000 0.000 -4.299) 4.299 20.818 ( 0.000 0.000 -5.466) 5.466 ======================= Grid point 137 (29/40) ======================= q-point: ( 0.17 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 2.476 5.181 13.433) 14.608 1.696 ( 5.496 8.777 9.850) 14.292 2.008 ( 0.705 0.817 -3.774) 3.925 2.074 ( 1.776 2.896 -3.748) 5.059 2.424 ( -1.263 -1.618 5.651) 6.012 2.515 ( -0.238 -0.588 5.139) 5.178 2.644 ( -2.160 -3.013 8.487) 9.261 2.690 ( -2.419 -4.717 8.792) 10.266 2.824 ( -1.866 -4.682 2.157) 5.482 2.836 ( -1.009 -1.587 10.574) 10.740 2.987 ( -0.462 2.527 0.999) 2.756 3.031 ( -0.969 -0.681 -2.422) 2.696 3.099 ( 1.736 -1.295 -2.958) 3.666 3.190 ( -0.672 -0.024 1.066) 1.260 3.293 ( -1.118 -1.797 -2.657) 3.397 3.407 ( 2.257 2.485 -2.504) 4.188 3.517 ( 0.479 1.744 -0.676) 1.931 3.539 ( -0.061 1.052 -2.971) 3.152 3.733 ( -0.693 -0.902 1.599) 1.962 3.784 ( -1.331 -4.469 -4.055) 6.179 3.849 ( -1.421 -1.977 -4.878) 5.452 3.961 ( 0.649 1.935 -3.891) 4.394 4.174 ( -0.275 -0.760 3.689) 3.777 4.325 ( 2.655 5.872 1.948) 6.732 4.378 ( 0.985 1.309 4.441) 4.734 4.453 ( 1.492 0.781 2.676) 3.162 4.548 ( 2.029 1.449 2.359) 3.432 4.571 ( -3.832 -1.309 2.127) 4.574 4.643 ( 1.155 -0.384 1.186) 1.700 4.699 ( 3.639 2.517 -0.276) 4.434 4.726 ( -1.797 0.587 -1.340) 2.317 4.876 ( -1.336 2.618 -3.823) 4.822 4.882 ( 3.767 2.541 -5.831) 7.392 5.030 ( 1.128 0.406 -6.261) 6.375 5.356 ( -3.412 -4.036 1.050) 5.388 5.420 ( 0.117 -0.864 -0.112) 0.879 5.816 ( -1.829 -3.091 0.838) 3.688 5.913 ( -1.528 -1.300 0.490) 2.065 5.946 ( -1.418 -0.981 0.488) 1.792 5.972 ( 0.638 -2.450 -1.882) 3.154 6.082 ( 1.546 3.398 -1.011) 3.868 6.211 ( 1.530 2.554 -4.345) 5.268 7.168 ( -3.631 -5.771 24.712) 25.635 7.317 ( 1.073 -6.121 24.865) 25.629 7.327 ( -6.015 -2.930 19.268) 20.396 7.952 ( 2.365 4.113 20.089) 20.642 8.168 ( 4.336 7.549 7.202) 11.298 8.389 ( -0.551 -0.944 -12.944) 12.991 8.945 ( 2.069 -1.047 9.351) 9.634 9.039 ( -2.950 3.667 5.537) 7.266 9.157 ( 3.489 1.540 10.860) 11.510 9.853 ( 5.975 10.996 -10.104) 16.084 10.258 ( 1.554 1.781 -1.871) 3.014 10.359 ( 2.993 5.651 -1.934) 6.681 10.969 ( -2.213 -4.535 8.216) 9.642 11.031 ( -0.692 -1.612 7.965) 8.156 11.089 ( -4.493 -6.062 10.370) 12.825 11.402 ( -0.150 -0.697 -3.887) 3.952 11.631 ( -1.421 -3.037 -6.317) 7.152 11.722 ( 2.832 5.279 -12.694) 14.037 12.001 ( 4.104 7.702 20.372) 22.163 12.393 ( -5.600 -10.590 -20.742) 23.953 12.529 ( -4.371 -7.726 18.543) 20.558 12.778 ( -1.048 -1.661 -23.077) 23.161 13.377 ( 1.044 8.179 -10.318) 13.208 13.552 ( 7.234 1.754 9.943) 12.421 13.715 ( 3.953 11.372 9.546) 15.365 13.947 ( -0.720 -0.796 -17.639) 17.672 14.608 ( -6.175 -10.964 -1.821) 12.715 14.895 ( 1.814 3.279 -17.054) 17.461 15.563 ( -0.328 -0.561 17.920) 17.932 15.739 ( 3.981 6.907 2.891) 8.480 16.570 ( -6.226 -11.276 -13.765) 18.852 16.875 ( 1.195 2.724 -19.875) 20.097 17.480 ( 0.911 1.241 16.055) 16.129 17.797 ( -5.976 -10.221 7.685) 14.115 20.744 ( 0.784 1.351 -3.669) 3.988 20.830 ( -0.297 -0.510 -5.690) 5.720 ======================= Grid point 138 (30/40) ======================= q-point: ( 0.33 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( -0.116 5.402 9.607) 11.022 1.866 ( 4.248 4.018 2.309) 6.287 2.040 ( 2.273 -0.730 -1.026) 2.598 2.130 ( 0.930 0.783 -4.483) 4.645 2.377 ( -1.659 -0.275 9.473) 9.621 2.461 ( -0.955 -3.381 10.537) 11.107 2.578 ( -2.573 -1.192 10.589) 10.962 2.626 ( -4.962 2.747 9.256) 10.856 2.750 ( 3.490 -6.931 6.104) 9.873 2.836 ( 1.527 -1.413 2.977) 3.632 3.000 ( 0.476 1.796 -3.274) 3.764 3.033 ( 0.587 0.945 -4.001) 4.153 3.090 ( -2.302 -2.958 -1.584) 4.069 3.148 ( -3.178 3.227 -4.068) 6.087 3.295 ( 3.256 -4.354 -2.028) 5.803 3.465 ( -0.385 2.939 -4.751) 5.600 3.530 ( 0.477 2.835 -2.787) 4.004 3.577 ( 1.714 1.480 -4.055) 4.644 3.691 ( -1.100 -3.093 -5.531) 6.432 3.758 ( -2.169 -1.977 -3.084) 4.258 3.782 ( 0.118 -0.299 2.141) 2.165 3.997 ( 0.778 1.672 -2.415) 3.039 4.180 ( -0.157 1.158 6.192) 6.302 4.321 ( -0.704 -2.949 5.798) 6.543 4.440 ( 1.765 1.991 7.958) 8.391 4.495 ( -2.735 0.542 2.518) 3.757 4.529 ( 3.351 0.087 4.715) 5.785 4.594 ( 0.676 1.386 2.162) 2.656 4.649 ( 0.435 -1.169 -0.089) 1.250 4.709 ( 0.855 -1.900 -1.294) 2.453 4.784 ( 0.101 3.055 1.273) 3.311 4.843 ( -0.809 1.735 2.087) 2.832 4.996 ( 3.189 3.610 -7.478) 8.895 5.041 ( -2.984 2.087 -3.220) 4.861 5.281 ( 0.453 -3.395 -1.084) 3.593 5.420 ( -0.340 0.800 -1.459) 1.698 5.760 ( -1.154 -1.532 -0.268) 1.936 5.877 ( -1.117 -0.220 -2.245) 2.517 5.899 ( -1.043 -1.714 -0.100) 2.009 5.962 ( 1.422 -3.498 -2.382) 4.465 6.141 ( 0.589 3.480 -1.751) 3.940 6.233 ( -0.037 -0.298 -4.484) 4.494 7.100 ( -0.375 -0.037 25.290) 25.293 7.169 ( -6.405 -0.374 24.183) 25.019 7.315 ( 4.908 -8.559 22.209) 24.302 8.007 ( -1.673 5.364 16.697) 17.617 8.286 ( 2.407 2.642 -4.021) 5.380 8.366 ( -0.625 -1.171 -11.630) 11.705 8.997 ( -1.981 1.647 10.134) 10.456 9.035 ( 3.763 2.881 13.684) 14.481 9.194 ( 0.500 -2.948 12.465) 12.818 10.034 ( 0.967 9.185 -10.208) 13.766 10.323 ( 4.834 -1.582 -8.037) 9.511 10.428 ( 0.199 0.718 -1.794) 1.942 10.909 ( -0.714 -0.516 10.278) 10.316 10.947 ( -4.781 -0.351 9.995) 11.086 11.028 ( 1.703 -3.707 10.232) 11.015 11.385 ( -0.698 -0.688 -1.184) 1.537 11.586 ( -0.277 -1.996 -8.891) 9.116 11.841 ( 2.141 6.906 -15.674) 17.261 12.121 ( 1.398 3.568 11.755) 12.364 12.207 ( -3.436 -5.620 -9.875) 11.870 12.379 ( -3.217 -5.760 22.670) 23.611 12.760 ( 2.470 -4.609 -21.560) 22.185 13.439 ( -4.540 12.321 -3.887) 13.694 13.755 ( 10.973 0.015 -8.354) 13.791 13.858 ( -3.300 -0.525 -7.167) 7.907 13.927 ( 3.229 6.153 5.903) 9.117 14.361 ( -5.853 -11.401 6.516) 14.377 14.956 ( 0.865 2.589 -17.938) 18.144 15.555 ( -0.117 -0.232 18.673) 18.675 15.883 ( 2.164 7.461 -3.779) 8.638 16.349 ( -2.090 -12.709 -11.716) 17.411 16.924 ( -0.757 5.060 -21.190) 21.799 17.519 ( 2.574 0.887 13.551) 13.821 17.606 ( -4.930 -6.060 11.782) 14.136 20.772 ( 0.598 1.201 -4.354) 4.556 20.817 ( -0.360 -0.734 -5.428) 5.490 ======================= Grid point 139 (31/40) ======================= q-point: (-0.50 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( -4.276 2.757 9.146) 10.466 1.871 ( -6.070 -1.936 4.052) 7.551 2.023 ( -0.588 -1.763 -1.868) 2.635 2.125 ( -1.134 -0.146 -4.765) 4.900 2.410 ( -0.111 -0.536 8.822) 8.839 2.448 ( 5.110 0.234 10.797) 11.947 2.570 ( 1.846 3.798 11.069) 11.847 2.609 ( 0.467 1.939 9.286) 9.498 2.789 ( 5.933 -4.533 6.851) 10.133 2.818 ( -1.373 -2.355 1.620) 3.171 3.017 ( -0.552 -1.011 -3.740) 3.913 3.033 ( -1.300 0.272 -1.974) 2.379 3.059 ( 1.253 2.457 -3.693) 4.609 3.162 ( 0.176 4.098 -2.229) 4.668 3.290 ( 1.967 -5.242 -3.878) 6.810 3.451 ( -2.949 1.831 -3.506) 4.934 3.555 ( -1.985 1.762 -2.627) 3.734 3.596 ( -2.898 -3.414 -3.465) 5.662 3.660 ( 4.429 1.739 -5.659) 7.394 3.739 ( 0.522 0.416 -3.393) 3.458 3.805 ( 2.028 -0.347 1.651) 2.638 3.997 ( -1.711 0.154 -2.674) 3.178 4.175 ( -0.961 0.801 6.436) 6.557 4.340 ( 4.373 -1.649 5.510) 7.225 4.417 ( -3.176 0.846 6.195) 7.013 4.489 ( -1.805 0.599 5.709) 6.018 4.558 ( 0.737 -2.181 2.793) 3.620 4.606 ( -1.872 -0.836 2.275) 3.062 4.616 ( -0.194 1.451 0.272) 1.489 4.702 ( 1.205 -2.267 0.035) 2.568 4.780 ( -2.748 2.130 1.086) 3.642 4.888 ( 2.030 -0.521 1.395) 2.518 4.959 ( -6.103 1.460 -3.506) 7.189 5.043 ( -1.846 2.513 -7.884) 8.478 5.292 ( 3.518 -2.341 -0.846) 4.309 5.417 ( -0.868 0.851 -1.311) 1.788 5.761 ( 1.973 0.214 -0.240) 1.999 5.883 ( 1.267 0.365 -1.804) 2.235 5.900 ( 1.975 0.931 -0.513) 2.243 5.953 ( 1.576 -3.264 -2.416) 4.357 6.144 ( -3.110 1.132 -1.802) 3.769 6.232 ( 0.243 -0.095 -4.455) 4.463 7.107 ( 0.211 -0.280 24.766) 24.768 7.159 ( 3.421 5.675 24.951) 25.816 7.318 ( 5.090 -8.268 21.942) 23.994 8.007 ( -3.801 4.128 16.734) 17.650 8.286 ( -3.471 -0.768 -4.143) 5.459 8.366 ( 1.332 -0.050 -11.546) 11.623 8.958 ( -3.019 1.445 11.791) 12.256 9.119 ( -2.406 -0.779 9.297) 9.635 9.146 ( 2.736 -1.779 15.193) 15.539 10.042 ( -8.154 3.735 -10.622) 13.902 10.311 ( -1.404 -4.645 -6.576) 8.173 10.433 ( -0.568 -0.136 -2.765) 2.826 10.901 ( 0.589 0.879 10.161) 10.216 10.953 ( 2.635 3.276 9.977) 10.827 11.035 ( 2.958 -3.324 10.420) 11.330 11.382 ( 0.706 0.374 -1.180) 1.425 11.584 ( 1.663 -0.677 -9.115) 9.291 11.844 ( -6.901 1.474 -15.638) 17.156 12.139 ( -5.926 0.248 21.258) 22.070 12.185 ( 8.577 0.586 -19.448) 21.263 12.379 ( 6.541 -0.085 22.754) 23.675 12.761 ( 2.791 -4.399 -21.371) 21.996 13.470 ( -6.813 11.912 -5.382) 14.741 13.678 ( -7.230 -8.124 -3.573) 11.447 13.898 ( 4.354 -0.376 -13.047) 13.760 13.939 ( -8.958 -0.189 7.977) 11.996 14.355 ( 12.858 -0.467 6.898) 14.599 14.957 ( -2.610 0.518 -17.940) 18.136 15.555 ( 0.264 -0.016 18.664) 18.666 15.884 ( -7.549 1.858 -3.812) 8.659 16.347 ( 11.849 -4.449 -11.505) 17.105 16.928 ( -3.702 3.052 -21.691) 22.215 17.512 ( -1.847 -1.396 14.389) 14.575 17.612 ( 7.389 0.898 11.288) 13.521 20.772 ( -1.342 0.085 -4.352) 4.555 20.817 ( 0.818 -0.057 -5.430) 5.492 ======================= Grid point 144 (32/40) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( -0.000 -0.000 6.525) 6.525 1.967 ( -2.322 -4.645 1.589) 5.430 1.967 ( 2.322 4.645 1.589) 5.430 2.123 ( -0.000 -0.000 -6.315) 6.315 2.414 ( -0.442 -0.885 11.142) 11.186 2.414 ( 0.442 0.885 11.142) 11.186 2.594 ( -0.000 -0.000 7.212) 7.212 2.633 ( -0.712 -1.424 10.745) 10.862 2.633 ( 0.712 1.424 10.745) 10.862 2.844 ( -0.000 -0.000 1.385) 1.385 3.033 ( -0.793 -1.587 -3.695) 4.099 3.033 ( 0.793 1.587 -3.695) 4.099 3.055 ( -0.000 -0.000 -2.741) 2.741 3.210 ( -1.410 -2.821 -4.370) 5.390 3.210 ( 1.410 2.821 -4.370) 5.390 3.505 ( -0.000 -0.000 -7.153) 7.153 3.575 ( -0.399 -0.798 -3.834) 3.936 3.575 ( 0.399 0.798 -3.834) 3.936 3.695 ( -1.611 -3.221 -5.126) 6.264 3.695 ( 1.611 3.221 -5.126) 6.264 3.779 ( 0.000 -0.000 3.692) 3.692 4.024 ( -0.000 -0.000 -0.799) 0.799 4.234 ( -1.985 -3.970 7.546) 8.754 4.234 ( 1.985 3.970 7.546) 8.754 4.493 ( -1.013 -2.026 7.073) 7.427 4.493 ( 1.013 2.026 7.073) 7.427 4.518 ( -0.000 -0.000 1.495) 1.495 4.604 ( 0.000 -0.000 2.584) 2.584 4.657 ( -0.777 -1.554 0.192) 1.748 4.657 ( 0.777 1.554 0.192) 1.748 4.842 ( -0.837 -1.674 2.585) 3.192 4.842 ( 0.837 1.674 2.585) 3.192 5.066 ( -0.709 -1.419 -6.671) 6.857 5.066 ( 0.709 1.419 -6.671) 6.857 5.230 ( -0.000 -0.000 1.178) 1.178 5.430 ( -0.000 -0.000 -1.842) 1.842 5.741 ( -0.000 -0.000 -0.845) 0.845 5.880 ( -0.279 -0.558 -0.757) 0.981 5.880 ( 0.279 0.558 -0.757) 0.981 5.911 ( -0.000 -0.000 -5.436) 5.436 6.205 ( -1.072 -2.144 -3.017) 3.853 6.205 ( 1.072 2.144 -3.017) 3.853 7.155 ( -1.460 -2.920 21.880) 22.122 7.155 ( 1.460 2.920 21.880) 22.122 7.172 ( 0.000 -0.000 29.740) 29.740 8.067 ( -0.000 -0.000 12.817) 12.817 8.334 ( -0.872 -1.745 -8.966) 9.176 8.334 ( 0.872 1.745 -8.966) 9.176 9.061 ( -1.877 -3.754 16.539) 17.063 9.061 ( 1.877 3.754 16.539) 17.063 9.120 ( -0.000 -0.000 7.773) 7.773 10.225 ( -3.495 -6.991 -11.677) 14.051 10.225 ( 3.495 6.991 -11.677) 14.051 10.421 ( 0.000 -0.000 1.953) 1.953 10.937 ( -0.885 -1.770 12.718) 12.871 10.937 ( 0.885 1.770 12.718) 12.871 10.968 ( 0.000 -0.000 6.271) 6.271 11.376 ( -0.000 -0.000 -0.713) 0.713 11.565 ( -0.000 -0.000 -10.160) 10.160 12.009 ( -3.979 -7.957 -18.161) 20.223 12.009 ( 3.979 7.957 -18.161) 20.223 12.259 ( -2.558 -5.117 23.285) 23.977 12.259 ( 2.558 5.117 23.285) 23.977 12.707 ( -0.000 -0.000 -19.537) 19.537 13.697 ( -3.527 -7.053 -18.119) 19.761 13.697 ( 3.527 7.053 -18.119) 19.761 13.769 ( -0.000 -0.000 11.020) 11.020 14.125 ( -4.719 -9.437 8.786) 13.730 14.125 ( 4.719 9.437 8.786) 13.730 14.987 ( -0.000 -0.000 -18.372) 18.372 15.552 ( -0.000 -0.000 19.196) 19.196 16.084 ( -5.331 -10.661 -8.318) 14.535 16.084 ( 5.330 10.661 -8.318) 14.535 16.991 ( -0.000 -0.000 -24.503) 24.503 17.531 ( -0.549 -1.097 14.124) 14.178 17.531 ( 0.549 1.097 14.124) 14.178 20.797 ( -0.518 -1.037 -4.969) 5.102 20.797 ( 0.518 1.037 -4.969) 5.102 ======================= Grid point 172 (33/40) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( 0.000 0.000 10.787) 10.787 1.730 ( 0.000 0.000 10.787) 10.787 1.890 ( 0.000 0.000 -5.973) 5.973 1.890 ( 0.000 -0.000 -5.973) 5.973 2.588 ( 0.000 0.000 8.508) 8.508 2.588 ( 0.000 0.000 8.508) 8.508 2.779 ( 0.000 0.000 -9.225) 9.225 2.779 ( 0.000 0.000 -9.225) 9.225 2.856 ( -0.000 0.000 6.458) 6.458 2.941 ( -0.000 0.000 -1.175) 1.175 3.059 ( 0.000 -0.000 2.099) 2.099 3.065 ( 0.000 0.000 0.502) 0.502 3.298 ( 0.000 0.000 0.463) 0.463 3.298 ( 0.000 0.000 0.463) 0.463 3.299 ( -0.000 -0.000 1.740) 1.740 3.299 ( 0.000 0.000 1.740) 1.740 3.553 ( 0.000 0.000 5.136) 5.136 3.553 ( 0.000 0.000 5.136) 5.136 3.715 ( 0.000 0.000 -9.001) 9.001 3.715 ( -0.000 0.000 -9.001) 9.001 3.855 ( -0.000 0.000 -0.397) 0.397 3.869 ( 0.000 0.000 1.385) 1.385 4.176 ( 0.000 0.000 5.451) 5.451 4.250 ( 0.000 0.000 -2.523) 2.523 4.383 ( -0.000 0.000 10.181) 10.181 4.469 ( 0.000 0.000 4.594) 4.594 4.469 ( 0.000 0.000 4.594) 4.594 4.578 ( 0.000 0.000 -4.965) 4.965 4.578 ( 0.000 0.000 -4.965) 4.965 4.708 ( 0.000 0.000 -18.393) 18.393 4.721 ( 0.000 0.000 0.872) 0.872 4.721 ( 0.000 0.000 0.872) 0.872 4.730 ( 0.000 -0.000 -1.188) 1.188 4.730 ( -0.000 0.000 -1.188) 1.188 5.534 ( 0.000 0.000 2.041) 2.041 5.545 ( 0.000 0.000 1.421) 1.421 5.941 ( 0.000 0.000 1.214) 1.214 5.941 ( -0.000 0.000 1.214) 1.214 5.970 ( 0.000 0.000 -1.584) 1.584 5.970 ( 0.000 -0.000 -1.584) 1.584 6.033 ( 0.000 0.000 3.139) 3.139 6.082 ( -0.000 -0.000 -1.496) 1.496 7.797 ( 0.000 0.000 15.889) 15.889 7.814 ( -0.000 0.000 17.007) 17.007 7.814 ( 0.000 0.000 17.007) 17.007 8.056 ( 0.000 -0.000 -4.633) 4.633 8.056 ( 0.000 -0.000 -4.633) 4.633 8.115 ( 0.000 0.000 -15.468) 15.468 9.194 ( 0.000 0.000 7.934) 7.934 9.352 ( 0.000 0.000 28.964) 28.964 9.352 ( 0.000 0.000 28.964) 28.964 9.364 ( 0.000 -0.000 -8.904) 8.904 9.939 ( -0.000 -0.000 -25.004) 25.004 9.939 ( 0.000 0.000 -25.004) 25.004 11.220 ( 0.000 0.000 7.427) 7.427 11.220 ( 0.000 -0.000 7.427) 7.427 11.337 ( 0.000 0.000 -3.284) 3.284 11.337 ( -0.000 0.000 -3.284) 3.284 11.798 ( 0.000 0.000 14.916) 14.916 11.798 ( -0.000 0.000 14.916) 14.916 12.146 ( 0.000 0.000 27.324) 27.324 12.247 ( 0.000 0.000 -26.751) 26.751 12.247 ( 0.000 0.000 -26.751) 26.751 12.664 ( 0.000 -0.000 -23.903) 23.903 13.067 ( 0.000 -0.000 18.608) 18.608 13.479 ( 0.000 0.000 -22.147) 22.147 13.942 ( 0.000 0.000 23.950) 23.950 13.942 ( 0.000 0.000 23.950) 23.950 14.415 ( 0.000 0.000 -22.621) 22.621 14.415 ( -0.000 0.000 -22.621) 22.621 15.980 ( -0.000 0.000 21.600) 21.600 15.980 ( 0.000 -0.000 21.600) 21.600 16.420 ( 0.000 0.000 -21.655) 21.655 16.420 ( 0.000 -0.000 -21.655) 21.655 17.824 ( 0.000 0.000 15.342) 15.342 18.043 ( 0.000 0.000 -6.411) 6.411 20.685 ( 0.000 -0.000 0.533) 0.533 20.735 ( 0.000 0.000 -4.244) 4.244 ======================= Grid point 173 (34/40) ======================= q-point: ( 0.17 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( 0.812 0.474 10.008) 10.052 1.785 ( 4.311 2.345 9.035) 10.282 1.894 ( 0.454 0.489 -5.900) 5.938 1.928 ( 2.952 1.636 -5.656) 6.586 2.587 ( 0.090 -0.105 8.985) 8.986 2.618 ( 2.194 1.417 8.716) 9.099 2.761 ( -1.504 -0.713 -6.142) 6.363 2.798 ( 1.554 0.638 -7.935) 8.111 2.856 ( -0.568 -0.314 6.573) 6.605 2.950 ( 0.560 0.346 -1.119) 1.298 3.033 ( -2.213 -1.248 2.161) 3.335 3.061 ( -0.553 -0.238 -0.289) 0.668 3.182 ( -7.068 -2.200 4.218) 8.519 3.201 ( -3.519 -4.390 2.724) 6.251 3.283 ( -3.454 -0.610 -4.577) 5.766 3.290 ( -1.665 -1.921 -5.092) 5.692 3.547 ( -0.390 -0.630 4.949) 5.004 3.565 ( 0.149 0.346 6.000) 6.012 3.694 ( -1.873 -1.060 -7.903) 8.191 3.723 ( -1.164 -0.311 -8.785) 8.868 3.840 ( -0.534 -1.243 0.919) 1.635 3.853 ( 0.174 0.790 -1.742) 1.921 4.275 ( 6.945 4.208 4.669) 9.367 4.280 ( 2.301 1.141 5.537) 6.104 4.439 ( 4.213 2.438 7.814) 9.206 4.485 ( 1.222 0.605 4.597) 4.795 4.506 ( 3.215 2.024 2.428) 4.509 4.584 ( 0.530 -0.008 -4.227) 4.260 4.601 ( 1.539 1.096 -4.594) 4.968 4.700 ( -1.112 0.053 -2.261) 2.520 4.721 ( 1.006 -0.956 -4.372) 4.587 4.728 ( 0.520 0.271 -5.169) 5.202 4.757 ( 2.182 2.460 0.390) 3.311 4.787 ( 4.373 2.242 -5.794) 7.597 5.480 ( -3.714 -2.217 1.673) 4.638 5.488 ( -4.292 -2.425 1.318) 5.103 5.900 ( -3.075 -1.708 1.659) 3.889 5.935 ( -2.414 -1.903 -1.503) 3.421 5.973 ( 1.083 1.334 0.329) 1.749 5.982 ( 0.047 -0.149 -0.344) 0.378 6.042 ( 1.221 0.615 2.354) 2.722 6.098 ( 1.407 0.812 -2.804) 3.240 7.709 ( -5.880 -3.064 15.805) 17.139 7.730 ( -5.508 -3.689 15.728) 17.067 7.807 ( -0.530 -0.079 16.790) 16.799 8.053 ( -0.374 -0.592 -6.355) 6.393 8.092 ( 1.354 1.272 -6.513) 6.772 8.128 ( 0.863 0.334 -12.453) 12.487 9.245 ( 2.464 1.736 11.185) 11.584 9.330 ( 2.645 0.353 17.878) 18.076 9.385 ( 3.140 2.867 26.718) 27.055 9.519 ( 8.260 4.565 1.601) 9.573 9.954 ( 1.338 0.794 -24.741) 24.790 9.989 ( 3.756 2.158 -24.858) 25.232 11.201 ( -1.455 -0.902 8.128) 8.306 11.218 ( -0.552 -0.167 8.786) 8.805 11.329 ( -0.459 -0.474 -2.487) 2.573 11.368 ( 2.356 1.469 -3.782) 4.692 11.637 ( -9.024 -5.282 13.905) 17.398 11.775 ( -1.915 -0.962 16.303) 16.444 12.081 ( -10.059 -6.123 -25.567) 28.149 12.243 ( -0.344 0.494 -24.852) 24.859 12.319 ( 10.053 5.375 22.665) 25.371 12.819 ( 9.187 5.273 -23.925) 26.165 13.018 ( -3.732 -2.150 19.541) 20.010 13.435 ( -3.059 -1.738 -21.036) 21.328 13.982 ( 2.954 1.796 22.364) 22.630 13.991 ( 3.839 2.109 21.956) 22.388 14.426 ( 0.623 0.383 -20.401) 20.415 14.441 ( 2.052 1.167 -22.348) 22.472 15.956 ( -1.857 -1.058 19.227) 19.346 15.980 ( 0.000 -0.017 21.842) 21.842 16.359 ( -4.863 -2.784 -20.240) 21.002 16.425 ( 0.374 0.196 -21.898) 21.902 17.799 ( -1.797 -1.036 13.572) 13.730 17.977 ( -4.965 -2.868 -4.016) 7.000 20.690 ( 0.406 0.234 0.176) 0.500 20.734 ( -0.074 -0.043 -4.030) 4.031 ======================= Grid point 174 (35/40) ======================= q-point: ( 0.33 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( 1.131 0.639 8.705) 8.802 1.871 ( 2.267 -0.439 1.104) 2.559 1.950 ( 3.698 4.203 -2.063) 5.966 2.004 ( 2.815 1.561 -4.703) 5.699 2.593 ( 0.932 -0.447 9.598) 9.653 2.678 ( 1.108 2.598 8.493) 8.951 2.720 ( -0.933 -1.749 0.514) 2.048 2.811 ( -1.688 -1.803 7.825) 8.206 2.842 ( 1.469 0.881 -5.330) 5.598 2.945 ( -4.946 -1.557 5.695) 7.702 2.959 ( -0.632 -0.564 -4.413) 4.494 3.024 ( -1.431 -1.568 0.307) 2.145 3.066 ( -4.190 0.151 4.938) 6.478 3.125 ( -1.094 -3.382 -0.031) 3.555 3.221 ( -2.398 0.827 -9.296) 9.636 3.258 ( 0.699 -1.231 -9.899) 10.000 3.512 ( -2.009 -2.363 1.304) 3.365 3.540 ( -1.761 -1.683 0.780) 2.558 3.643 ( -4.911 0.008 -4.706) 6.802 3.656 ( -0.793 -0.515 -3.735) 3.853 3.860 ( 2.719 -0.805 1.109) 3.044 3.884 ( 0.791 1.906 -2.976) 3.622 4.344 ( 3.019 1.693 11.329) 11.845 4.429 ( 3.931 2.059 3.161) 5.449 4.512 ( 0.148 2.034 4.084) 4.564 4.535 ( 4.544 1.814 4.909) 6.930 4.576 ( 0.825 0.911 0.129) 1.236 4.605 ( 1.763 -0.589 -2.209) 2.887 4.665 ( 1.944 1.125 -0.198) 2.255 4.680 ( -0.623 -0.143 0.050) 0.641 4.729 ( 3.214 1.458 -1.268) 3.750 4.775 ( 2.904 0.747 -9.130) 9.610 4.830 ( 2.324 2.209 2.495) 4.062 4.904 ( 4.084 3.286 -5.073) 7.294 5.370 ( -4.178 -2.953 2.035) 5.506 5.401 ( -2.628 -1.364 -0.852) 3.081 5.816 ( -3.548 -2.151 1.560) 4.433 5.856 ( -3.427 -2.350 -2.243) 4.722 5.957 ( -1.509 -0.861 1.402) 2.232 5.982 ( -0.634 0.266 -1.038) 1.245 6.081 ( 1.615 0.759 1.268) 2.190 6.135 ( 1.129 0.687 -3.771) 3.996 7.586 ( -4.212 -1.826 16.322) 16.955 7.599 ( -4.191 -3.146 15.755) 16.604 7.795 ( -0.595 -0.113 15.973) 15.984 8.033 ( -0.619 -0.937 -8.931) 9.001 8.106 ( -0.428 0.513 -9.078) 9.102 8.144 ( 0.607 0.052 -9.817) 9.836 9.271 ( -0.067 0.544 20.154) 20.161 9.426 ( 5.833 0.638 17.882) 18.820 9.510 ( 3.992 5.192 22.090) 23.040 9.694 ( 5.865 2.501 -4.815) 7.990 10.010 ( 3.193 2.020 -22.570) 22.884 10.084 ( 3.421 1.955 -24.653) 24.966 11.157 ( -1.932 -1.173 9.684) 9.944 11.177 ( -3.051 -1.102 11.730) 12.170 11.325 ( 1.087 -0.664 2.597) 2.892 11.428 ( 0.590 0.713 3.594) 3.711 11.472 ( -3.029 -1.574 -5.507) 6.479 11.724 ( -2.192 -1.003 19.781) 19.927 11.859 ( -7.342 -4.523 -23.484) 25.017 12.239 ( -0.388 0.251 -27.239) 27.243 12.528 ( 7.043 3.770 22.880) 24.235 12.910 ( -4.000 -2.289 20.159) 20.679 13.011 ( 5.670 2.994 -20.432) 21.415 13.369 ( -2.193 -0.954 -22.202) 22.330 14.054 ( 2.425 1.682 19.956) 20.173 14.109 ( 5.790 2.883 17.685) 18.831 14.425 ( -1.026 -0.399 -12.329) 12.378 14.498 ( 2.439 1.309 -21.909) 22.084 15.910 ( -1.596 -0.868 12.307) 12.440 15.980 ( 0.017 -0.078 22.341) 22.341 16.216 ( -6.262 -3.528 -16.962) 18.423 16.434 ( 0.376 0.168 -22.359) 22.363 17.759 ( -1.209 -0.664 9.680) 9.778 17.847 ( -5.095 -2.973 1.057) 5.993 20.702 ( 0.533 0.309 -0.677) 0.916 20.731 ( -0.162 -0.095 -3.466) 3.471 ======================= Grid point 175 (36/40) ======================= q-point: (-0.50 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( 0.000 0.000 8.123) 8.123 1.884 ( 0.000 0.000 -1.344) 1.344 2.028 ( -0.000 -0.000 -2.474) 2.474 2.034 ( 0.000 0.000 -4.118) 4.118 2.609 ( 0.000 0.000 10.660) 10.660 2.657 ( -0.000 0.000 5.625) 5.625 2.726 ( 0.000 -0.000 10.003) 10.003 2.823 ( 0.000 0.000 9.425) 9.425 2.833 ( -0.000 -0.000 -1.367) 1.367 2.871 ( 0.000 0.000 -4.020) 4.020 2.946 ( 0.000 0.000 -3.897) 3.897 3.017 ( 0.000 -0.000 1.107) 1.107 3.028 ( 0.000 0.000 5.793) 5.793 3.086 ( 0.000 0.000 -0.956) 0.956 3.208 ( 0.000 0.000 -10.522) 10.522 3.271 ( 0.000 -0.000 -11.408) 11.408 3.472 ( 0.000 0.000 -1.843) 1.843 3.498 ( -0.000 -0.000 -5.318) 5.318 3.602 ( 0.000 0.000 1.360) 1.360 3.649 ( 0.000 0.000 -2.112) 2.112 3.884 ( 0.000 -0.000 0.935) 0.935 3.902 ( -0.000 0.000 -2.965) 2.965 4.390 ( 0.000 0.000 11.221) 11.221 4.467 ( 0.000 0.000 2.986) 2.986 4.513 ( 0.000 -0.000 6.243) 6.243 4.574 ( 0.000 0.000 2.890) 2.890 4.613 ( 0.000 0.000 -0.085) 0.085 4.637 ( -0.000 -0.000 -1.712) 1.712 4.651 ( 0.000 0.000 2.186) 2.186 4.676 ( 0.000 -0.000 -2.893) 2.893 4.810 ( 0.000 -0.000 -1.236) 1.236 4.819 ( -0.000 0.000 -7.455) 7.455 4.855 ( 0.000 0.000 4.173) 4.173 4.953 ( 0.000 0.000 -2.788) 2.788 5.317 ( 0.000 0.000 2.199) 2.199 5.374 ( 0.000 0.000 -2.533) 2.533 5.763 ( 0.000 0.000 1.067) 1.067 5.802 ( 0.000 -0.000 -2.759) 2.759 5.935 ( 0.000 0.000 1.940) 1.940 5.975 ( 0.000 0.000 -1.763) 1.763 6.102 ( 0.000 0.000 0.666) 0.666 6.146 ( 0.000 0.000 -3.580) 3.580 7.539 ( 0.000 -0.000 16.586) 16.586 7.541 ( -0.000 0.000 15.986) 15.986 7.788 ( 0.000 0.000 15.439) 15.439 8.021 ( 0.000 0.000 -9.926) 9.926 8.103 ( 0.000 -0.000 -9.360) 9.360 8.149 ( 0.000 0.000 -9.352) 9.352 9.272 ( 0.000 0.000 22.134) 22.134 9.492 ( 0.000 0.000 15.826) 15.826 9.577 ( 0.000 0.000 23.066) 23.066 9.758 ( 0.000 -0.000 -8.301) 8.301 10.066 ( 0.000 0.000 -20.041) 20.041 10.124 ( 0.000 0.000 -24.821) 24.821 11.128 ( -0.000 0.000 11.064) 11.064 11.135 ( 0.000 -0.000 12.410) 12.410 11.350 ( 0.000 0.000 16.840) 16.840 11.376 ( -0.000 0.000 -7.079) 7.079 11.491 ( 0.000 -0.000 -14.748) 14.748 11.694 ( 0.000 0.000 22.454) 22.454 11.763 ( 0.000 0.000 -21.355) 21.355 12.237 ( 0.000 0.000 -27.879) 27.879 12.618 ( 0.000 0.000 22.017) 22.017 12.851 ( 0.000 0.000 23.095) 23.095 13.079 ( 0.000 0.000 -19.710) 19.710 13.345 ( 0.000 0.000 -24.268) 24.268 14.087 ( 0.000 0.000 19.266) 19.266 14.197 ( 0.000 0.000 12.604) 12.604 14.399 ( 0.000 0.000 -4.257) 4.257 14.532 ( 0.000 0.000 -21.705) 21.705 15.893 ( 0.000 0.000 7.210) 7.210 15.979 ( 0.000 0.000 22.567) 22.567 16.127 ( 0.000 0.000 -14.795) 14.795 16.439 ( 0.000 -0.000 -22.579) 22.579 17.757 ( 0.000 0.000 6.014) 6.014 17.768 ( -0.000 -0.000 5.329) 5.329 20.710 ( 0.000 0.000 -1.287) 1.287 20.728 ( 0.000 0.000 -3.002) 3.002 ======================= Grid point 180 (37/40) ======================= q-point: ( 0.17 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( 1.190 1.968 8.638) 8.939 1.854 ( 0.822 4.510 5.476) 7.141 1.919 ( 2.654 1.093 -4.546) 5.376 1.982 ( 1.720 3.205 -5.335) 6.457 2.584 ( -0.395 0.308 9.631) 9.644 2.665 ( 1.888 2.146 8.467) 8.936 2.746 ( -0.075 -0.293 -2.930) 2.946 2.808 ( -0.941 0.556 -2.737) 2.947 2.835 ( -0.712 -1.996 6.707) 7.034 2.972 ( 1.079 1.500 -0.345) 1.880 2.979 ( -2.188 -4.222 0.749) 4.814 3.028 ( -1.578 -2.701 1.894) 3.657 3.077 ( -1.140 -5.302 4.039) 6.762 3.163 ( -4.330 -0.277 -1.829) 4.709 3.212 ( 0.523 -5.001 -5.496) 7.449 3.260 ( -1.462 -0.559 -9.782) 9.906 3.530 ( -1.803 -0.784 3.512) 4.025 3.552 ( -0.819 -1.364 3.213) 3.585 3.645 ( -2.351 -5.666 -6.312) 8.802 3.675 ( -0.138 -2.585 -8.262) 8.658 3.837 ( -0.459 1.420 2.372) 2.802 3.895 ( 2.102 2.984 -2.714) 4.549 4.324 ( 1.684 2.988 10.746) 11.280 4.397 ( 3.104 5.444 3.346) 7.104 4.490 ( 1.659 1.727 5.767) 6.244 4.524 ( 1.855 3.377 3.620) 5.287 4.566 ( 1.930 2.169 -0.421) 2.934 4.605 ( -1.412 1.072 -1.026) 2.048 4.641 ( 2.631 3.450 -1.883) 4.730 4.684 ( -0.070 -0.928 -0.556) 1.084 4.721 ( 0.443 1.975 -0.985) 2.251 4.768 ( 1.165 3.267 -6.703) 7.547 4.822 ( 2.490 2.977 -0.563) 3.921 4.862 ( 3.399 4.757 -5.342) 7.920 5.400 ( -3.292 -4.945 2.005) 6.270 5.421 ( -1.637 -3.175 -0.193) 3.577 5.843 ( -2.062 -3.454 1.919) 4.457 5.889 ( -2.187 -2.704 -2.341) 4.192 5.954 ( -1.476 -2.084 0.421) 2.589 5.959 ( -0.416 -2.601 -0.006) 2.634 6.082 ( 1.383 2.610 1.275) 3.217 6.132 ( 1.124 1.909 -3.428) 4.082 7.598 ( -2.807 -5.089 16.917) 17.888 7.664 ( -2.998 -4.549 12.311) 13.462 7.767 ( -0.871 -2.086 19.240) 19.372 8.055 ( -0.726 0.246 -8.575) 8.609 8.104 ( 1.195 -0.199 -8.337) 8.425 8.134 ( -0.449 0.161 -10.955) 10.965 9.299 ( 3.048 2.791 16.967) 17.463 9.387 ( -1.915 4.596 23.744) 24.260 9.452 ( 5.988 4.059 18.270) 19.650 9.672 ( 4.284 8.510 -1.963) 9.728 9.972 ( 0.775 1.112 -24.047) 24.085 10.068 ( 2.491 4.330 -24.640) 25.142 11.161 ( -1.332 -2.364 9.936) 10.300 11.218 ( 0.385 -0.599 10.593) 10.617 11.307 ( -1.769 -0.977 1.015) 2.262 11.417 ( 1.643 2.398 -1.613) 3.324 11.509 ( -2.956 -5.139 3.123) 6.700 11.725 ( -1.607 -3.331 18.235) 18.606 11.915 ( -5.309 -8.578 -23.737) 25.791 12.234 ( -0.123 -1.144 -28.023) 28.047 12.481 ( 4.712 8.686 24.799) 26.695 12.934 ( -1.970 -3.366 15.308) 15.797 12.985 ( 3.964 7.154 -17.605) 19.412 13.381 ( -1.519 -3.028 -21.469) 21.734 14.039 ( 2.106 3.141 20.845) 21.186 14.074 ( 2.870 5.698 19.070) 20.109 14.425 ( -0.369 -0.859 -15.050) 15.079 14.487 ( 1.613 2.914 -22.102) 22.351 15.917 ( -1.245 -2.224 13.981) 14.211 15.984 ( 0.109 0.302 22.420) 22.423 16.243 ( -4.461 -7.846 -17.319) 19.529 16.442 ( 0.706 1.295 -22.664) 22.712 17.767 ( -0.980 -1.732 10.825) 11.006 17.881 ( -3.254 -5.604 -0.354) 6.490 20.699 ( 0.331 0.572 -0.442) 0.795 20.732 ( -0.086 -0.147 -3.630) 3.634 ======================= Grid point 181 (38/40) ======================= q-point: ( 0.33 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.804 ( -0.295 2.669 7.523) 7.988 1.896 ( 0.050 3.096 -0.119) 3.099 1.993 ( 3.547 0.017 -2.114) 4.129 2.026 ( 0.475 -0.418 -4.739) 4.781 2.596 ( 1.126 1.600 10.313) 10.497 2.680 ( -1.566 -1.972 6.864) 7.311 2.757 ( -1.116 3.842 5.632) 6.909 2.777 ( 0.339 -1.055 5.773) 5.879 2.831 ( 2.142 -1.842 0.625) 2.894 2.888 ( -3.054 -3.253 0.360) 4.476 2.960 ( -2.189 -0.502 2.614) 3.446 3.015 ( 1.633 2.600 1.730) 3.524 3.055 ( 1.245 -3.752 -1.639) 4.279 3.074 ( -4.067 0.501 -0.307) 4.109 3.175 ( 0.639 -4.428 -8.967) 10.021 3.267 ( 0.930 1.606 -12.209) 12.349 3.479 ( -1.577 -0.390 -0.887) 1.851 3.520 ( -1.790 0.395 -3.224) 3.709 3.570 ( -0.015 -4.739 -1.669) 5.025 3.640 ( 0.134 -3.095 -6.104) 6.845 3.860 ( 0.687 1.181 4.436) 4.642 3.949 ( -0.113 3.229 -3.445) 4.723 4.384 ( 1.489 1.894 10.779) 11.045 4.444 ( 0.628 -0.600 4.609) 4.690 4.541 ( 1.417 1.246 3.333) 3.830 4.572 ( -2.081 0.557 4.395) 4.895 4.606 ( 1.309 0.684 -1.980) 2.470 4.625 ( 2.960 3.423 2.954) 5.404 4.648 ( -0.507 -1.942 -0.966) 2.228 4.678 ( -0.509 0.449 -0.962) 1.177 4.812 ( 1.801 3.883 -1.964) 4.709 4.818 ( 0.948 2.610 -4.872) 5.608 4.883 ( 0.568 3.659 1.907) 4.165 4.966 ( 1.525 2.137 -4.164) 4.922 5.310 ( -1.283 -2.300 3.263) 4.193 5.377 ( -0.667 -0.677 -2.949) 3.098 5.772 ( -1.857 -1.827 1.568) 3.040 5.820 ( -2.339 -1.022 -2.946) 3.898 5.907 ( 0.060 -3.179 0.830) 3.286 5.928 ( 1.181 -4.159 -1.250) 4.500 6.124 ( 0.098 2.384 0.275) 2.402 6.157 ( -0.090 0.920 -2.930) 3.073 7.532 ( -0.622 -1.405 16.303) 16.376 7.569 ( -2.870 -1.466 13.738) 14.111 7.744 ( 1.294 -3.385 19.386) 19.722 8.044 ( -1.020 1.280 -10.621) 10.747 8.109 ( -0.557 -0.165 -9.576) 9.594 8.130 ( 1.006 -1.183 -10.222) 10.340 9.341 ( -3.326 5.783 21.069) 22.100 9.454 ( 4.658 1.415 21.274) 21.824 9.560 ( 2.215 -0.297 22.229) 22.341 9.792 ( 0.030 6.482 -10.501) 12.341 10.011 ( 3.433 -1.885 -20.373) 20.746 10.125 ( 0.534 0.966 -25.345) 25.369 11.130 ( -0.402 -0.202 11.148) 11.157 11.192 ( -3.768 1.660 13.398) 14.016 11.293 ( 2.876 -1.776 9.302) 9.897 11.393 ( -1.821 -3.002 0.949) 3.637 11.513 ( 0.665 4.174 -16.100) 16.645 11.674 ( 0.114 -2.591 20.217) 20.383 11.758 ( -3.037 -5.694 -19.722) 20.751 12.218 ( 0.371 -1.891 -28.678) 28.742 12.627 ( 2.455 5.639 24.400) 25.164 12.844 ( -1.809 -4.137 23.024) 23.463 13.118 ( 0.950 6.792 -21.961) 23.007 13.334 ( -0.387 -2.755 -23.944) 24.105 14.095 ( 0.652 1.886 20.223) 20.322 14.191 ( 2.997 4.913 13.213) 14.412 14.388 ( -1.001 -3.341 -4.537) 5.723 14.538 ( 0.726 2.084 -22.088) 22.198 15.891 ( -0.057 -0.130 5.397) 5.399 15.988 ( -0.154 0.644 22.848) 22.858 16.087 ( -1.985 -8.009 -12.422) 14.913 16.465 ( -0.399 2.158 -23.745) 23.846 17.746 ( 0.237 -0.464 7.412) 7.431 17.781 ( -2.306 -2.827 4.057) 5.456 20.711 ( 0.252 0.491 -1.327) 1.437 20.728 ( -0.127 -0.246 -2.967) 2.980 ======================= Grid point 182 (39/40) ======================= q-point: (-0.50 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.804 ( -2.168 1.518 7.648) 8.093 1.921 ( -1.113 3.219 -1.061) 3.567 1.966 ( -3.352 -4.676 -1.149) 5.866 2.024 ( -0.094 -0.534 -4.622) 4.653 2.614 ( -2.174 -1.655 9.334) 9.726 2.655 ( 2.029 2.253 7.471) 8.063 2.769 ( -1.101 2.580 6.190) 6.796 2.794 ( 0.137 -1.668 8.318) 8.485 2.823 ( 0.460 -2.374 -1.896) 3.073 2.873 ( 4.142 1.201 1.850) 4.693 2.972 ( 0.766 3.445 -3.468) 4.948 3.009 ( 0.599 -2.192 5.319) 5.784 3.029 ( -1.599 -0.852 -0.027) 1.812 3.106 ( 3.563 3.285 -3.870) 6.202 3.160 ( 2.124 -3.686 -6.014) 7.366 3.276 ( -0.984 -0.389 -12.061) 12.108 3.509 ( 1.188 1.794 -3.260) 3.906 3.519 ( 2.882 1.888 -4.218) 5.446 3.543 ( 1.735 -2.923 1.168) 3.594 3.632 ( 2.011 -1.629 -5.802) 6.353 3.867 ( -0.630 -0.324 3.822) 3.887 3.948 ( -2.888 1.799 -3.246) 4.702 4.384 ( -2.326 -0.346 10.915) 11.166 4.448 ( 0.462 -1.085 3.811) 3.989 4.521 ( -2.289 0.771 5.145) 5.684 4.585 ( -0.085 0.722 1.652) 1.805 4.606 ( -2.229 -1.116 -0.643) 2.574 4.622 ( -1.690 0.463 0.242) 1.769 4.651 ( 1.114 -1.053 2.392) 2.841 4.682 ( -0.084 0.377 -0.383) 0.544 4.820 ( -3.966 0.199 -3.034) 4.997 4.829 ( -2.042 -0.184 -5.160) 5.552 4.875 ( -4.154 2.057 1.084) 4.761 4.947 ( -3.356 0.129 -2.713) 4.317 5.317 ( 2.978 -0.245 2.840) 4.122 5.378 ( 0.850 0.241 -2.732) 2.871 5.774 ( 2.599 0.678 1.586) 3.119 5.823 ( 2.331 1.557 -3.118) 4.193 5.907 ( 2.695 -1.500 0.701) 3.163 5.923 ( 2.618 -3.235 -0.917) 4.261 6.125 ( -2.059 1.076 0.180) 2.331 6.156 ( -0.773 0.552 -2.899) 3.051 7.531 ( 1.466 -0.088 16.148) 16.215 7.571 ( 2.852 1.675 13.879) 14.268 7.743 ( 2.142 -2.787 19.320) 19.638 8.049 ( -0.183 1.544 -10.582) 10.696 8.100 ( -0.159 0.053 -9.565) 9.566 8.134 ( 0.748 -1.164 -10.201) 10.294 9.333 ( -3.802 5.080 21.767) 22.673 9.493 ( -1.265 -3.915 17.616) 18.090 9.523 ( -3.153 -0.511 24.281) 24.490 9.801 ( -5.069 2.977 -9.422) 11.105 10.008 ( -0.181 -3.943 -20.518) 20.894 10.125 ( -1.105 0.014 -25.343) 25.367 11.129 ( 0.293 0.303 11.243) 11.251 11.183 ( 0.036 3.582 12.465) 12.969 11.316 ( 0.768 -3.690 12.365) 12.927 11.382 ( 3.571 0.739 -1.624) 3.992 11.510 ( -4.013 1.595 -14.694) 15.315 11.677 ( 1.749 -1.471 19.754) 19.885 11.757 ( 6.809 -0.142 -20.424) 21.529 12.215 ( 1.170 -1.174 -28.284) 28.332 12.629 ( -5.953 0.618 24.163) 24.894 12.843 ( 4.486 -0.482 23.014) 23.452 13.123 ( -6.196 2.504 -22.427) 23.402 13.328 ( 2.404 -0.970 -23.445) 23.587 14.092 ( -2.163 0.428 20.247) 20.366 14.197 ( -5.495 -0.272 13.183) 14.284 14.385 ( 3.337 -0.710 -4.668) 5.782 14.539 ( -2.103 0.380 -22.055) 22.158 15.890 ( 0.120 0.000 5.538) 5.539 15.990 ( -0.503 0.446 23.103) 23.113 16.085 ( 7.941 -2.279 -12.774) 15.212 16.465 ( -1.641 1.413 -23.793) 23.892 17.745 ( 0.305 -0.385 7.533) 7.549 17.782 ( 3.578 0.531 3.950) 5.356 20.711 ( -0.552 0.029 -1.324) 1.434 20.728 ( 0.277 -0.014 -2.970) 2.983 ======================= Grid point 187 (40/40) ======================= q-point: ( 0.33 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( -0.000 -0.000 7.151) 7.151 1.976 ( -0.865 -1.730 0.006) 1.935 1.976 ( 0.865 1.730 0.006) 1.935 1.986 ( -0.000 0.000 -7.249) 7.249 2.642 ( -0.740 -1.480 8.720) 8.876 2.642 ( 0.740 1.480 8.720) 8.876 2.760 ( -0.000 -0.000 7.571) 7.571 2.800 ( -0.767 -1.534 5.201) 5.476 2.800 ( 0.767 1.534 5.201) 5.476 2.857 ( -0.000 -0.000 -1.702) 1.702 2.985 ( -0.718 -1.435 0.375) 1.648 2.985 ( 0.718 1.435 0.375) 1.648 3.062 ( -0.000 -0.000 6.007) 6.007 3.094 ( -0.649 -1.298 -7.366) 7.507 3.094 ( 0.649 1.298 -7.366) 7.507 3.283 ( -0.000 -0.000 -13.324) 13.324 3.494 ( -0.655 -1.309 -2.270) 2.701 3.494 ( 0.655 1.309 -2.270) 2.701 3.564 ( -1.494 -2.988 -5.428) 6.374 3.564 ( 1.494 2.988 -5.428) 6.374 3.876 ( 0.000 -0.000 5.996) 5.996 3.986 ( -0.000 -0.000 -4.021) 4.021 4.418 ( -0.706 -1.412 7.658) 7.819 4.418 ( 0.706 1.412 7.658) 7.819 4.558 ( -0.000 -0.000 3.205) 3.205 4.597 ( -0.836 -1.671 2.106) 2.815 4.597 ( 0.836 1.671 2.106) 2.815 4.619 ( 0.000 -0.000 -1.798) 1.798 4.677 ( -0.527 -1.053 2.088) 2.397 4.677 ( 0.527 1.053 2.088) 2.397 4.843 ( -0.128 -0.256 -3.092) 3.105 4.843 ( 0.128 0.256 -3.092) 3.105 4.970 ( -1.046 -2.092 -1.696) 2.889 4.970 ( 1.046 2.092 -1.696) 2.889 5.285 ( -0.000 -0.000 4.101) 4.101 5.372 ( -0.000 -0.000 -3.913) 3.913 5.750 ( -0.000 -0.000 1.840) 1.840 5.812 ( 0.000 -0.000 -4.183) 4.183 5.869 ( -0.126 -0.251 -0.280) 0.397 5.869 ( 0.126 0.251 -0.280) 0.397 6.159 ( -0.372 -0.743 -1.307) 1.549 6.159 ( 0.372 0.743 -1.307) 1.549 7.535 ( -0.642 -1.285 13.929) 14.002 7.535 ( 0.642 1.285 13.929) 14.002 7.704 ( -0.000 -0.000 22.792) 22.792 8.061 ( -0.000 -0.000 -11.493) 11.493 8.109 ( -0.302 -0.603 -10.389) 10.411 8.109 ( 0.302 0.603 -10.389) 10.411 9.455 ( -1.595 -3.190 19.454) 19.778 9.455 ( 1.595 3.190 19.454) 19.778 9.526 ( -0.000 -0.000 29.349) 29.349 9.929 ( -2.628 -5.256 -16.275) 17.303 9.929 ( 2.628 5.256 -16.275) 17.303 10.128 ( -0.000 -0.000 -27.006) 27.006 11.138 ( -0.000 -0.000 10.519) 10.519 11.243 ( -1.549 -3.099 17.346) 17.688 11.243 ( 1.549 3.099 17.346) 17.688 11.350 ( -0.000 0.000 -10.178) 10.178 11.624 ( -2.809 -5.617 -19.497) 20.483 11.624 ( 2.809 5.617 -19.497) 20.483 11.652 ( -0.000 -0.000 23.151) 23.151 12.194 ( -0.000 -0.000 -28.521) 28.521 12.744 ( -2.421 -4.842 24.473) 25.064 12.744 ( 2.421 4.842 24.473) 25.064 13.250 ( -2.374 -4.748 -24.004) 24.584 13.250 ( 2.374 4.748 -24.004) 24.584 14.118 ( -0.000 -0.000 21.132) 21.132 14.297 ( -2.250 -4.501 5.439) 7.410 14.297 ( 2.250 4.501 5.439) 7.410 14.563 ( -0.000 -0.000 -22.468) 22.468 15.939 ( -2.303 -4.606 -4.579) 6.891 15.939 ( 2.303 4.606 -4.579) 6.891 15.998 ( -0.000 -0.000 23.914) 23.914 16.492 ( -0.000 -0.000 -24.994) 24.994 17.745 ( -0.303 -0.606 5.989) 6.027 17.745 ( 0.303 0.606 5.989) 6.027 20.721 ( -0.196 -0.392 -2.186) 2.229 20.721 ( 0.196 0.392 -2.186) 2.229 =================== 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 3/25272 10.0 1366.122 1366.122 1353.962 -0.000 0.000 -0.000 3/25272 20.0 117.790 117.790 210.555 -0.000 -0.000 -0.000 3/25272 30.0 34.425 34.425 68.180 -0.000 -0.000 -0.000 3/25272 40.0 16.401 16.401 33.874 -0.000 -0.000 -0.000 3/25272 50.0 9.995 9.995 21.175 -0.000 -0.000 -0.000 3/25272 60.0 7.002 7.002 15.115 -0.000 -0.000 -0.000 3/25272 70.0 5.343 5.343 11.717 -0.000 -0.000 -0.000 3/25272 80.0 4.310 4.310 9.590 -0.000 -0.000 -0.000 3/25272 90.0 3.613 3.613 8.153 -0.000 -0.000 -0.000 3/25272 100.0 3.113 3.113 7.123 -0.000 -0.000 -0.000 3/25272 110.0 2.739 2.739 6.352 -0.000 -0.000 -0.000 3/25272 120.0 2.448 2.448 5.754 -0.000 -0.000 -0.000 3/25272 130.0 2.217 2.217 5.275 -0.000 -0.000 -0.000 3/25272 140.0 2.027 2.027 4.883 -0.000 -0.000 -0.000 3/25272 150.0 1.869 1.869 4.555 -0.000 -0.000 -0.000 3/25272 160.0 1.736 1.736 4.276 -0.000 -0.000 -0.000 3/25272 170.0 1.621 1.621 4.034 -0.000 -0.000 -0.000 3/25272 180.0 1.522 1.522 3.823 -0.000 -0.000 -0.000 3/25272 190.0 1.435 1.435 3.635 -0.000 -0.000 -0.000 3/25272 200.0 1.357 1.357 3.467 -0.000 -0.000 -0.000 3/25272 210.0 1.288 1.288 3.316 -0.000 -0.000 -0.000 3/25272 220.0 1.227 1.227 3.178 -0.000 -0.000 -0.000 3/25272 230.0 1.171 1.171 3.053 -0.000 -0.000 -0.000 3/25272 240.0 1.120 1.120 2.937 -0.000 -0.000 -0.000 3/25272 250.0 1.073 1.073 2.831 -0.000 -0.000 -0.000 3/25272 260.0 1.031 1.031 2.732 -0.000 -0.000 -0.000 3/25272 270.0 0.992 0.992 2.640 -0.000 -0.000 -0.000 3/25272 280.0 0.955 0.955 2.554 -0.000 -0.000 -0.000 3/25272 290.0 0.922 0.922 2.474 -0.000 -0.000 -0.000 3/25272 300.0 0.890 0.890 2.399 -0.000 -0.000 -0.000 3/25272 310.0 0.861 0.861 2.328 -0.000 -0.000 -0.000 3/25272 320.0 0.834 0.834 2.261 -0.000 -0.000 -0.000 3/25272 330.0 0.809 0.809 2.198 -0.000 -0.000 -0.000 3/25272 340.0 0.785 0.785 2.139 -0.000 -0.000 -0.000 3/25272 350.0 0.762 0.762 2.082 -0.000 -0.000 -0.000 3/25272 360.0 0.741 0.741 2.029 -0.000 -0.000 -0.000 3/25272 370.0 0.720 0.720 1.978 -0.000 -0.000 -0.000 3/25272 380.0 0.701 0.701 1.929 -0.000 -0.000 -0.000 3/25272 390.0 0.683 0.683 1.883 -0.000 -0.000 -0.000 3/25272 400.0 0.666 0.666 1.839 -0.000 -0.000 -0.000 3/25272 410.0 0.650 0.650 1.797 -0.000 -0.000 -0.000 3/25272 420.0 0.634 0.634 1.757 -0.000 -0.000 -0.000 3/25272 430.0 0.620 0.620 1.719 -0.000 -0.000 -0.000 3/25272 440.0 0.606 0.606 1.682 -0.000 -0.000 -0.000 3/25272 450.0 0.592 0.592 1.647 -0.000 -0.000 -0.000 3/25272 460.0 0.579 0.579 1.613 -0.000 -0.000 -0.000 3/25272 470.0 0.567 0.567 1.580 -0.000 -0.000 -0.000 3/25272 480.0 0.555 0.555 1.549 -0.000 -0.000 -0.000 3/25272 490.0 0.544 0.544 1.519 -0.000 -0.000 -0.000 3/25272 500.0 0.533 0.533 1.490 -0.000 -0.000 -0.000 3/25272 510.0 0.522 0.522 1.462 -0.000 -0.000 -0.000 3/25272 520.0 0.512 0.512 1.435 -0.000 -0.000 -0.000 3/25272 530.0 0.503 0.503 1.409 -0.000 -0.000 -0.000 3/25272 540.0 0.493 0.493 1.385 -0.000 -0.000 -0.000 3/25272 550.0 0.484 0.484 1.360 -0.000 -0.000 -0.000 3/25272 560.0 0.476 0.476 1.337 -0.000 -0.000 -0.000 3/25272 570.0 0.467 0.467 1.315 -0.000 -0.000 -0.000 3/25272 580.0 0.459 0.459 1.293 -0.000 -0.000 -0.000 3/25272 590.0 0.452 0.452 1.272 -0.000 -0.000 -0.000 3/25272 600.0 0.444 0.444 1.251 -0.000 -0.000 -0.000 3/25272 610.0 0.437 0.437 1.231 -0.000 -0.000 -0.000 3/25272 620.0 0.430 0.430 1.212 -0.000 -0.000 -0.000 3/25272 630.0 0.423 0.423 1.194 -0.000 -0.000 -0.000 3/25272 640.0 0.416 0.416 1.176 -0.000 -0.000 -0.000 3/25272 650.0 0.410 0.410 1.158 -0.000 -0.000 -0.000 3/25272 660.0 0.404 0.404 1.141 -0.000 -0.000 -0.000 3/25272 670.0 0.398 0.398 1.125 -0.000 -0.000 -0.000 3/25272 680.0 0.392 0.392 1.108 -0.000 -0.000 -0.000 3/25272 690.0 0.386 0.386 1.093 -0.000 -0.000 -0.000 3/25272 700.0 0.381 0.381 1.078 -0.000 -0.000 -0.000 3/25272 710.0 0.375 0.375 1.063 -0.000 -0.000 -0.000 3/25272 720.0 0.370 0.370 1.049 -0.000 -0.000 -0.000 3/25272 730.0 0.365 0.365 1.035 -0.000 -0.000 -0.000 3/25272 740.0 0.360 0.360 1.021 -0.000 -0.000 -0.000 3/25272 750.0 0.355 0.355 1.008 -0.000 -0.000 -0.000 3/25272 760.0 0.351 0.351 0.995 -0.000 -0.000 -0.000 3/25272 770.0 0.346 0.346 0.982 -0.000 -0.000 -0.000 3/25272 780.0 0.342 0.342 0.970 -0.000 -0.000 -0.000 3/25272 790.0 0.338 0.338 0.958 -0.000 -0.000 -0.000 3/25272 800.0 0.333 0.333 0.946 -0.000 -0.000 -0.000 3/25272 810.0 0.329 0.329 0.935 -0.000 -0.000 -0.000 3/25272 820.0 0.325 0.325 0.924 -0.000 -0.000 -0.000 3/25272 830.0 0.321 0.321 0.913 -0.000 -0.000 -0.000 3/25272 840.0 0.317 0.317 0.902 -0.000 -0.000 -0.000 3/25272 850.0 0.314 0.314 0.892 -0.000 -0.000 -0.000 3/25272 860.0 0.310 0.310 0.881 -0.000 -0.000 -0.000 3/25272 870.0 0.307 0.307 0.871 -0.000 -0.000 -0.000 3/25272 880.0 0.303 0.303 0.862 -0.000 -0.000 -0.000 3/25272 890.0 0.300 0.300 0.852 -0.000 -0.000 -0.000 3/25272 900.0 0.296 0.296 0.843 -0.000 -0.000 -0.000 3/25272 910.0 0.293 0.293 0.834 -0.000 -0.000 -0.000 3/25272 920.0 0.290 0.290 0.825 -0.000 -0.000 -0.000 3/25272 930.0 0.287 0.287 0.816 -0.000 -0.000 -0.000 3/25272 940.0 0.284 0.284 0.808 -0.000 -0.000 -0.000 3/25272 950.0 0.281 0.281 0.799 -0.000 -0.000 -0.000 3/25272 960.0 0.278 0.278 0.791 -0.000 -0.000 -0.000 3/25272 970.0 0.275 0.275 0.783 -0.000 -0.000 -0.000 3/25272 980.0 0.272 0.272 0.775 -0.000 -0.000 -0.000 3/25272 990.0 0.269 0.269 0.768 -0.000 -0.000 -0.000 3/25272 1000.0 0.267 0.267 0.760 -0.000 -0.000 -0.000 3/25272 Thermal conductivity related properties were written into "kappa-m669.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 12:29:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|