# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/7c663303-1c76-48ad-91d9-197c7078bdb0/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for Li6WN4 / P4_2/nmc (137) / materials id 3503](https://mdr.nims.go.jp/datasets/2fe28855-5b6f-4ff8-b7a2-407f86c06898) ## Fulltext ----------------------------- ------- calculate fc2 ------- ----------------------------- \_ \_ \_\_ \| \|\_\_ \_\_\_ \_ \_\_ \_\_\_ \_ \_\_ \_ \_ \| '\_ \\\| '\_ \\ / \_ \\\| '\_ \\ / \_ \\ \| '\_ \\\| \| \| \| \| \|\_) \| \| \| \| (\_) \| \| \| \| (\_) \|\| \|\_) \| \|\_\| \| \| .\_\_/\|\_\| \|\_\|\\\_\_\_/\|\_\| \|\_\|\\\_\_\_(\_) .\_\_/ \\\_\_, \| \|\_\| \|\_\| \|\_\_\_/ 2.47.1 -------------------------\[time 2026-01-07 19:34:34\]------------------------- 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: P4\_2/nmc (137) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.630153060000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.630153060000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.878324670000000 Atomic positions (fractional): \*1 Li 0.28728367781379 0.71271632218621 0.50000000000000 6.941 2 Li 0.78728367781379 0.78728367781379 0.00000000000000 6.941 3 Li 0.21271632218621 0.21271632218621 0.00000000000000 6.941 4 Li 0.71271632218621 0.28728367781379 0.50000000000000 6.941 5 Li 0.21271632218621 0.78728367781379 0.00000000000000 6.941 6 Li 0.71271632218621 0.71271632218621 0.50000000000000 6.941 7 Li 0.28728367781379 0.28728367781379 0.50000000000000 6.941 8 Li 0.78728367781379 0.21271632218621 0.00000000000000 6.941 \*9 Li 0.00000000000000 0.50000000000000 0.92132862384926 6.941 10 Li 0.00000000000000 0.50000000000000 0.42132862384926 6.941 11 Li 0.50000000000000 0.00000000000000 0.07867137615074 6.941 12 Li 0.50000000000000 0.00000000000000 0.57867137615074 6.941 \*13 N 0.25732456545008 0.50000000000000 0.20020552498679 14.007 14 N 0.74267543454992 0.50000000000000 0.20020552498679 14.007 15 N 0.00000000000000 0.24267543454992 0.70020552498679 14.007 16 N 0.00000000000000 0.75732456545008 0.70020552498679 14.007 17 N 0.50000000000000 0.25732456545008 0.79979447501321 14.007 18 N 0.24267543454992 0.00000000000000 0.29979447501321 14.007 19 N 0.75732456545008 0.00000000000000 0.29979447501321 14.007 20 N 0.50000000000000 0.74267543454992 0.79979447501321 14.007 \*21 W 0.00000000000000 0.00000000000000 0.50000000000000 183.840 22 W 0.50000000000000 0.50000000000000 0.00000000000000 183.840 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.630153060000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.630153060000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.878324670000000 Atomic positions (fractional): \*1 Li 0.28728367781379 0.71271632218621 0.50000000000000 6.941 \> 1 2 Li 0.78728367781379 0.78728367781379 0.00000000000000 6.941 \> 2 3 Li 0.21271632218621 0.21271632218621 0.00000000000000 6.941 \> 3 4 Li 0.71271632218621 0.28728367781379 0.50000000000000 6.941 \> 4 5 Li 0.21271632218621 0.78728367781379 0.00000000000000 6.941 \> 5 6 Li 0.71271632218621 0.71271632218621 0.50000000000000 6.941 \> 6 7 Li 0.28728367781379 0.28728367781379 0.50000000000000 6.941 \> 7 8 Li 0.78728367781379 0.21271632218621 0.00000000000000 6.941 \> 8 \*9 Li 0.00000000000000 0.50000000000000 0.92132862384926 6.941 \> 9 10 Li 0.00000000000000 0.50000000000000 0.42132862384926 6.941 \> 10 11 Li 0.50000000000000 0.00000000000000 0.07867137615074 6.941 \> 11 12 Li 0.50000000000000 0.00000000000000 0.57867137615074 6.941 \> 12 \*13 N 0.25732456545008 0.50000000000000 0.20020552498679 14.007 \> 13 14 N 0.74267543454992 0.50000000000000 0.20020552498679 14.007 \> 14 15 N 0.00000000000000 0.24267543454992 0.70020552498679 14.007 \> 15 16 N 0.00000000000000 0.75732456545008 0.70020552498679 14.007 \> 16 17 N 0.50000000000000 0.25732456545008 0.79979447501321 14.007 \> 17 18 N 0.24267543454992 0.00000000000000 0.29979447501321 14.007 \> 18 19 N 0.75732456545008 0.00000000000000 0.29979447501321 14.007 \> 19 20 N 0.50000000000000 0.74267543454992 0.79979447501321 14.007 \> 20 \*21 W 0.00000000000000 0.00000000000000 0.50000000000000 183.840 \> 21 22 W 0.50000000000000 0.50000000000000 0.00000000000000 183.840 \> 22 -------------------------------- super cell -------------------------------- Lattice vectors: a 6.630153060000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.630153060000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.756649339999999 Atomic positions (fractional): \*1 Li 0.28728367781379 0.71271632218621 0.25000000000000 6.941 \> 1 2 Li 0.28728367781379 0.71271632218621 0.75000000000000 6.941 \> 1 3 Li 0.78728367781379 0.78728367781379 0.00000000000000 6.941 \> 2 4 Li 0.78728367781379 0.78728367781379 0.50000000000000 6.941 \> 2 5 Li 0.21271632218621 0.21271632218621 0.00000000000000 6.941 \> 3 6 Li 0.21271632218621 0.21271632218621 0.50000000000000 6.941 \> 3 7 Li 0.71271632218621 0.28728367781379 0.25000000000000 6.941 \> 4 8 Li 0.71271632218621 0.28728367781379 0.75000000000000 6.941 \> 4 9 Li 0.21271632218621 0.78728367781379 0.00000000000000 6.941 \> 5 10 Li 0.21271632218621 0.78728367781379 0.50000000000000 6.941 \> 5 11 Li 0.71271632218621 0.71271632218621 0.25000000000000 6.941 \> 6 12 Li 0.71271632218621 0.71271632218621 0.75000000000000 6.941 \> 6 13 Li 0.28728367781379 0.28728367781379 0.25000000000000 6.941 \> 7 14 Li 0.28728367781379 0.28728367781379 0.75000000000000 6.941 \> 7 15 Li 0.78728367781379 0.21271632218621 0.00000000000000 6.941 \> 8 16 Li 0.78728367781379 0.21271632218621 0.50000000000000 6.941 \> 8 \*17 Li 0.00000000000000 0.50000000000000 0.46066431192463 6.941 \> 9 18 Li 0.00000000000000 0.50000000000000 0.96066431192463 6.941 \> 9 19 Li 0.00000000000000 0.50000000000000 0.21066431192463 6.941 \> 10 20 Li 0.00000000000000 0.50000000000000 0.71066431192463 6.941 \> 10 21 Li 0.50000000000000 0.00000000000000 0.03933568807537 6.941 \> 11 22 Li 0.50000000000000 0.00000000000000 0.53933568807537 6.941 \> 11 23 Li 0.50000000000000 0.00000000000000 0.28933568807537 6.941 \> 12 24 Li 0.50000000000000 0.00000000000000 0.78933568807537 6.941 \> 12 \*25 N 0.25732456545008 0.50000000000000 0.10010276249340 14.007 \> 13 26 N 0.25732456545008 0.50000000000000 0.60010276249340 14.007 \> 13 27 N 0.74267543454992 0.50000000000000 0.10010276249340 14.007 \> 14 28 N 0.74267543454992 0.50000000000000 0.60010276249340 14.007 \> 14 29 N 0.00000000000000 0.24267543454992 0.35010276249340 14.007 \> 15 30 N 0.00000000000000 0.24267543454992 0.85010276249340 14.007 \> 15 31 N 0.00000000000000 0.75732456545008 0.35010276249340 14.007 \> 16 32 N 0.00000000000000 0.75732456545008 0.85010276249340 14.007 \> 16 33 N 0.50000000000000 0.25732456545008 0.39989723750660 14.007 \> 17 34 N 0.50000000000000 0.25732456545008 0.89989723750660 14.007 \> 17 35 N 0.24267543454992 0.00000000000000 0.14989723750660 14.007 \> 18 36 N 0.24267543454992 0.00000000000000 0.64989723750660 14.007 \> 18 37 N 0.75732456545008 0.00000000000000 0.14989723750660 14.007 \> 19 38 N 0.75732456545008 0.00000000000000 0.64989723750660 14.007 \> 19 39 N 0.50000000000000 0.74267543454992 0.39989723750660 14.007 \> 20 40 N 0.50000000000000 0.74267543454992 0.89989723750660 14.007 \> 20 \*41 W 0.00000000000000 0.00000000000000 0.25000000000000 183.840 \> 21 42 W 0.00000000000000 0.00000000000000 0.75000000000000 183.840 \> 21 43 W 0.50000000000000 0.50000000000000 0.00000000000000 183.840 \> 22 44 W 0.50000000000000 0.50000000000000 0.50000000000000 183.840 \> 22 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy\_mlp\_eval\_fc2\_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.1192343 0.0000000 0.0000000 0.0000000 5.1192343 0.0000000 0.0000000 0.0000000 4.4140144 -------------------------- Born effective charges -------------------------- 1 Li 0.8576407 -0.4052220 -0.0054944 -0.4052220 0.8576407 -0.0054944 0.2173300 0.2173300 0.9386390 2 Li 0.8576407 0.4052220 0.0054944 0.4052220 0.8576407 -0.0054944 -0.2173300 0.2173300 0.9386390 3 Li 0.8576407 0.4052220 -0.0054944 0.4052220 0.8576407 0.0054944 0.2173300 -0.2173300 0.9386390 4 Li 0.8576407 -0.4052220 0.0054944 -0.4052220 0.8576407 0.0054944 -0.2173300 -0.2173300 0.9386390 5 Li 0.8576407 -0.4052220 -0.0054944 -0.4052220 0.8576407 -0.0054944 0.2173300 0.2173300 0.9386390 6 Li 0.8576407 0.4052220 0.0054944 0.4052220 0.8576407 -0.0054944 -0.2173300 0.2173300 0.9386390 7 Li 0.8576407 0.4052220 -0.0054944 0.4052220 0.8576407 0.0054944 0.2173300 -0.2173300 0.9386390 8 Li 0.8576407 -0.4052220 0.0054944 -0.4052220 0.8576407 0.0054944 -0.2173300 -0.2173300 0.9386390 9 Li 1.3255835 0.0000000 0.0000000 0.0000000 1.3179591 0.0000000 0.0000000 0.0000000 0.8927383 10 Li 1.3179591 0.0000000 0.0000000 0.0000000 1.3255835 0.0000000 0.0000000 0.0000000 0.8927383 11 Li 1.3179591 0.0000000 0.0000000 0.0000000 1.3255835 0.0000000 0.0000000 0.0000000 0.8927383 12 Li 1.3255835 0.0000000 0.0000000 0.0000000 1.3179591 0.0000000 0.0000000 0.0000000 0.8927383 13 N -3.0965290 0.0000000 1.0298708 0.0000000 -1.5324390 0.0000000 0.7081314 0.0000000 -1.8816825 14 N -3.0965290 0.0000000 -1.0298708 0.0000000 -1.5324390 0.0000000 -0.7081314 0.0000000 -1.8816825 15 N -1.5324390 0.0000000 0.0000000 0.0000000 -3.0965290 -1.0298708 0.0000000 -0.7081314 -1.8816825 16 N -1.5324390 0.0000000 0.0000000 0.0000000 -3.0965290 1.0298708 0.0000000 0.7081314 -1.8816825 17 N -1.5324390 0.0000000 0.0000000 0.0000000 -3.0965290 -1.0298708 0.0000000 -0.7081314 -1.8816825 18 N -3.0965290 0.0000000 1.0298708 0.0000000 -1.5324390 0.0000000 0.7081314 0.0000000 -1.8816825 19 N -3.0965290 0.0000000 -1.0298708 0.0000000 -1.5324390 0.0000000 -0.7081314 0.0000000 -1.8816825 20 N -1.5324390 0.0000000 0.0000000 0.0000000 -3.0965290 1.0298708 0.0000000 0.7081314 -1.8816825 21 W 3.1838304 0.0000000 0.0000000 0.0000000 3.1838304 0.0000000 0.0000000 0.0000000 1.9866973 22 W 3.1838304 0.0000000 0.0000000 0.0000000 3.1838304 0.0000000 0.0000000 0.0000000 1.9866973 ---------------------------------------------------------------------------- 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: 132/132 Permutation basis: 4422/4422 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected\_components. Rank of projector: 330 Number of blocks in projector: 336 Finding block diagonal structure in projector. Using scipy connected\_components. Number of blocks in projector (Sum rule): 4 --- Eigsh\_solver\_block: 1 / 4 --- Block\_size: 112 Use standard eigh solver. --- Eigsh\_solver\_block: 2 / 4 --- Block\_size: 112 Use standard eigh solver. --- Eigsh\_solver\_block: 3 / 4 --- Block\_size: 62 Use standard eigh solver. --- Eigsh\_solver\_block: 4 / 4 --- Block\_size: 44 Use standard eigh solver. Tree of FC basis block matrices: - (330, 315), data: False \|-- (44, 43), data: True \|-- (62, 58), data: True \|-- (112, 108), data: True \|-- (112, 106), data: True ----- Solver\_atoms: 1 -- 44 / 44 Time (Solver\_compr\_matrix\_reshape): 0.001 Solver\_block: 100 / 240 - Time: 0.152 Solver\_block: 200 / 240 - Time: 0.202 Solver\_block: 240 / 240 - Time: 0.123 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.521 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 132/132 Permutation basis: 4422/4422 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected\_components. Rank of projector: 330 Number of blocks in projector: 336 Finding block diagonal structure in projector. Using scipy connected\_components. Number of blocks in projector (Sum rule): 4 --- Eigsh\_solver\_block: 1 / 4 --- Block\_size: 112 Use standard eigh solver. --- Eigsh\_solver\_block: 2 / 4 --- Block\_size: 112 Use standard eigh solver. --- Eigsh\_solver\_block: 3 / 4 --- Block\_size: 62 Use standard eigh solver. --- Eigsh\_solver\_block: 4 / 4 --- Block\_size: 44 Use standard eigh solver. Tree of FC basis block matrices: - (330, 315), data: False \|-- (44, 43), data: True \|-- (62, 58), data: True \|-- (112, 108), data: True \|-- (112, 106), 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". -------------------------\[time 2026-01-07 19:34:39\]------------------------- \_ \_\_\_ \_ \_\_ \_\_\| \| / \_ \\ '\_ \\ / \_\` \| \| \_\_/ \| \| \| (\_\| \| \\\_\_\_\|\_\| \|\_\|\\\_\_,\_\| ---------------------------- ------ calculate fc3 ------- ---------------------------- \_ \_\_\_\_\_ \_ \_\_ \| \|\_\_ \_\_\_ \_ \_\_ \_\_\_\|\_\_\_ / \_ \_\_ \_ \_ \| '\_ \\\| '\_ \\ / \_ \\\| '\_ \\ / \_ \\ \|\_ \\\| '\_ \\\| \| \| \| \| \|\_) \| \| \| \| (\_) \| \| \| \| (\_) \|\_\_) \| \|\_) \| \|\_\| \| \| .\_\_/\|\_\| \|\_\|\\\_\_\_/\|\_\| \|\_\|\\\_\_\_/\_\_\_\_/\| .\_\_/ \\\_\_, \| \|\_\| \|\_\| \|\_\_\_/ 3.23.0 -------------------------\[time 2026-01-07 19:34:40\]------------------------- 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: P4\_2/nmc (137) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.630153060000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.630153060000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.878324670000000 Atomic positions (fractional): 1 Li 0.28728367781379 0.71271632218621 0.50000000000000 6.941 2 Li 0.78728367781379 0.78728367781379 0.00000000000000 6.941 3 Li 0.21271632218621 0.21271632218621 0.00000000000000 6.941 4 Li 0.71271632218621 0.28728367781379 0.50000000000000 6.941 5 Li 0.21271632218621 0.78728367781379 0.00000000000000 6.941 6 Li 0.71271632218621 0.71271632218621 0.50000000000000 6.941 7 Li 0.28728367781379 0.28728367781379 0.50000000000000 6.941 8 Li 0.78728367781379 0.21271632218621 0.00000000000000 6.941 9 Li 0.00000000000000 0.50000000000000 0.92132862384926 6.941 10 Li 0.00000000000000 0.50000000000000 0.42132862384926 6.941 11 Li 0.50000000000000 0.00000000000000 0.07867137615074 6.941 12 Li 0.50000000000000 0.00000000000000 0.57867137615074 6.941 13 N 0.25732456545008 0.50000000000000 0.20020552498679 14.007 14 N 0.74267543454992 0.50000000000000 0.20020552498679 14.007 15 N 0.00000000000000 0.24267543454992 0.70020552498679 14.007 16 N 0.00000000000000 0.75732456545008 0.70020552498679 14.007 17 N 0.50000000000000 0.25732456545008 0.79979447501321 14.007 18 N 0.24267543454992 0.00000000000000 0.29979447501321 14.007 19 N 0.75732456545008 0.00000000000000 0.29979447501321 14.007 20 N 0.50000000000000 0.74267543454992 0.79979447501321 14.007 21 W 0.00000000000000 0.00000000000000 0.50000000000000 183.840 22 W 0.50000000000000 0.50000000000000 0.00000000000000 183.840 -------------------------------- supercell --------------------------------- Lattice vectors: a 6.630153060000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.630153060000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.756649339999999 Atomic positions (fractional): 1 Li 0.28728367781379 0.71271632218621 0.25000000000000 6.941 \> 1 2 Li 0.28728367781379 0.71271632218621 0.75000000000000 6.941 \> 1 3 Li 0.78728367781379 0.78728367781379 0.00000000000000 6.941 \> 3 4 Li 0.78728367781379 0.78728367781379 0.50000000000000 6.941 \> 3 5 Li 0.21271632218621 0.21271632218621 0.00000000000000 6.941 \> 5 6 Li 0.21271632218621 0.21271632218621 0.50000000000000 6.941 \> 5 7 Li 0.71271632218621 0.28728367781379 0.25000000000000 6.941 \> 7 8 Li 0.71271632218621 0.28728367781379 0.75000000000000 6.941 \> 7 9 Li 0.21271632218621 0.78728367781379 0.00000000000000 6.941 \> 9 10 Li 0.21271632218621 0.78728367781379 0.50000000000000 6.941 \> 9 11 Li 0.71271632218621 0.71271632218621 0.25000000000000 6.941 \> 11 12 Li 0.71271632218621 0.71271632218621 0.75000000000000 6.941 \> 11 13 Li 0.28728367781379 0.28728367781379 0.25000000000000 6.941 \> 13 14 Li 0.28728367781379 0.28728367781379 0.75000000000000 6.941 \> 13 15 Li 0.78728367781379 0.21271632218621 0.00000000000000 6.941 \> 15 16 Li 0.78728367781379 0.21271632218621 0.50000000000000 6.941 \> 15 17 Li 0.00000000000000 0.50000000000000 0.46066431192463 6.941 \> 17 18 Li 0.00000000000000 0.50000000000000 0.96066431192463 6.941 \> 17 19 Li 0.00000000000000 0.50000000000000 0.21066431192463 6.941 \> 19 20 Li 0.00000000000000 0.50000000000000 0.71066431192463 6.941 \> 19 21 Li 0.50000000000000 0.00000000000000 0.03933568807537 6.941 \> 21 22 Li 0.50000000000000 0.00000000000000 0.53933568807537 6.941 \> 21 23 Li 0.50000000000000 0.00000000000000 0.28933568807537 6.941 \> 23 24 Li 0.50000000000000 0.00000000000000 0.78933568807537 6.941 \> 23 25 N 0.25732456545008 0.50000000000000 0.10010276249340 14.007 \> 25 26 N 0.25732456545008 0.50000000000000 0.60010276249340 14.007 \> 25 27 N 0.74267543454992 0.50000000000000 0.10010276249340 14.007 \> 27 28 N 0.74267543454992 0.50000000000000 0.60010276249340 14.007 \> 27 29 N 0.00000000000000 0.24267543454992 0.35010276249340 14.007 \> 29 30 N 0.00000000000000 0.24267543454992 0.85010276249340 14.007 \> 29 31 N 0.00000000000000 0.75732456545008 0.35010276249340 14.007 \> 31 32 N 0.00000000000000 0.75732456545008 0.85010276249340 14.007 \> 31 33 N 0.50000000000000 0.25732456545008 0.39989723750660 14.007 \> 33 34 N 0.50000000000000 0.25732456545008 0.89989723750660 14.007 \> 33 35 N 0.24267543454992 0.00000000000000 0.14989723750660 14.007 \> 35 36 N 0.24267543454992 0.00000000000000 0.64989723750660 14.007 \> 35 37 N 0.75732456545008 0.00000000000000 0.14989723750660 14.007 \> 37 38 N 0.75732456545008 0.00000000000000 0.64989723750660 14.007 \> 37 39 N 0.50000000000000 0.74267543454992 0.39989723750660 14.007 \> 39 40 N 0.50000000000000 0.74267543454992 0.89989723750660 14.007 \> 39 41 W 0.00000000000000 0.00000000000000 0.25000000000000 183.840 \> 41 42 W 0.00000000000000 0.00000000000000 0.75000000000000 183.840 \> 41 43 W 0.50000000000000 0.50000000000000 0.00000000000000 183.840 \> 43 44 W 0.50000000000000 0.50000000000000 0.50000000000000 183.840 \> 43 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py\_mlp\_eval\_fc3\_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.1192343 0.0000000 0.0000000 0.0000000 5.1192343 0.0000000 0.0000000 0.0000000 4.4140144 -------------------------- Born effective charges -------------------------- 1 Li 0.8576407 -0.4052220 -0.0054944 -0.4052220 0.8576407 -0.0054944 0.2173300 0.2173300 0.9386390 2 Li 0.8576407 0.4052220 0.0054944 0.4052220 0.8576407 -0.0054944 -0.2173300 0.2173300 0.9386390 3 Li 0.8576407 0.4052220 -0.0054944 0.4052220 0.8576407 0.0054944 0.2173300 -0.2173300 0.9386390 4 Li 0.8576407 -0.4052220 0.0054944 -0.4052220 0.8576407 0.0054944 -0.2173300 -0.2173300 0.9386390 5 Li 0.8576407 -0.4052220 -0.0054944 -0.4052220 0.8576407 -0.0054944 0.2173300 0.2173300 0.9386390 6 Li 0.8576407 0.4052220 0.0054944 0.4052220 0.8576407 -0.0054944 -0.2173300 0.2173300 0.9386390 7 Li 0.8576407 0.4052220 -0.0054944 0.4052220 0.8576407 0.0054944 0.2173300 -0.2173300 0.9386390 8 Li 0.8576407 -0.4052220 0.0054944 -0.4052220 0.8576407 0.0054944 -0.2173300 -0.2173300 0.9386390 9 Li 1.3255835 0.0000000 0.0000000 0.0000000 1.3179591 0.0000000 0.0000000 0.0000000 0.8927383 10 Li 1.3179591 0.0000000 0.0000000 0.0000000 1.3255835 0.0000000 0.0000000 0.0000000 0.8927383 11 Li 1.3179591 0.0000000 0.0000000 0.0000000 1.3255835 0.0000000 0.0000000 0.0000000 0.8927383 12 Li 1.3255835 0.0000000 0.0000000 0.0000000 1.3179591 0.0000000 0.0000000 0.0000000 0.8927383 13 N -3.0965290 0.0000000 1.0298708 0.0000000 -1.5324390 0.0000000 0.7081314 0.0000000 -1.8816825 14 N -3.0965290 0.0000000 -1.0298708 0.0000000 -1.5324390 0.0000000 -0.7081314 0.0000000 -1.8816825 15 N -1.5324390 0.0000000 0.0000000 0.0000000 -3.0965290 -1.0298708 0.0000000 -0.7081314 -1.8816825 16 N -1.5324390 0.0000000 0.0000000 0.0000000 -3.0965290 1.0298708 0.0000000 0.7081314 -1.8816825 17 N -1.5324390 0.0000000 0.0000000 0.0000000 -3.0965290 -1.0298708 0.0000000 -0.7081314 -1.8816825 18 N -3.0965290 0.0000000 1.0298708 0.0000000 -1.5324390 0.0000000 0.7081314 0.0000000 -1.8816825 19 N -3.0965290 0.0000000 -1.0298708 0.0000000 -1.5324390 0.0000000 -0.7081314 0.0000000 -1.8816825 20 N -1.5324390 0.0000000 0.0000000 0.0000000 -3.0965290 1.0298708 0.0000000 0.7081314 -1.8816825 21 W 3.1838304 0.0000000 0.0000000 0.0000000 3.1838304 0.0000000 0.0000000 0.0000000 1.9866973 22 W 3.1838304 0.0000000 0.0000000 0.0000000 3.1838304 0.0000000 0.0000000 0.0000000 1.9866973 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES\_FC3.xz". Displacement dataset for fc3 was read from "phono3py\_mlp\_eval\_fc3\_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3\[ 1, x, x \] using numpy.linalg.pinv. Displacements (in Angstrom): \[ 0.0100 0.0000 0.0000\] \[-0.0100 0.0000 0.0000\] \[ 0.0000 0.0000 0.0100\] \[ 0.0000 0.0000 -0.0100\] Computing fc3\[ 17, x, x \] using numpy.linalg.pinv. Displacements (in Angstrom): \[ 0.0100 0.0000 0.0000\] \[-0.0100 0.0000 0.0000\] \[ 0.0000 0.0100 0.0000\] \[ 0.0000 -0.0100 0.0000\] \[ 0.0000 0.0000 0.0100\] \[ 0.0000 0.0000 -0.0100\] Computing fc3\[ 25, x, x \] using numpy.linalg.pinv. Displacements (in Angstrom): \[ 0.0100 0.0000 0.0000\] \[-0.0100 0.0000 0.0000\] \[ 0.0000 0.0100 0.0000\] \[ 0.0000 -0.0100 0.0000\] \[ 0.0000 0.0000 0.0100\] \[ 0.0000 0.0000 -0.0100\] Computing fc3\[ 41, x, x \] using numpy.linalg.pinv. Displacements (in Angstrom): \[ 0.0100 0.0000 0.0000\] \[-0.0100 0.0000 0.0000\] \[ 0.0000 0.0000 0.0100\] \[ 0.0000 0.0000 -0.0100\] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000007 (xzx) 0.00000007 (xzx) 0.00000007 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yz) -0.00000000 (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". -------------------------\[time 2026-01-07 19:34:44\]------------------------- \_ \_\_\_ \_ \_\_ \_\_\| \| / \_ \\ '\_ \\ / \_\` \| \| \_\_/ \| \| \| (\_\| \| \\\_\_\_\|\_\| \|\_\|\\\_\_,\_\| ---------------------------- ------ calculate LTC ------- ---------------------------- \_ \_\_\_\_\_ \_ \_\_ \| \|\_\_ \_\_\_ \_ \_\_ \_\_\_\|\_\_\_ / \_ \_\_ \_ \_ \| '\_ \\\| '\_ \\ / \_ \\\| '\_ \\ / \_ \\ \|\_ \\\| '\_ \\\| \| \| \| \| \|\_) \| \| \| \| (\_) \| \| \| \| (\_) \|\_\_) \| \|\_) \| \|\_\| \| \| .\_\_/\|\_\| \|\_\|\\\_\_\_/\|\_\| \|\_\|\\\_\_\_/\_\_\_\_/\| .\_\_/ \\\_\_, \| \|\_\| \|\_\| \|\_\_\_/ 3.23.0 -------------------------\[time 2026-01-07 19:34:44\]------------------------- 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: P4\_2/nmc (137) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.630153060000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.630153060000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.878324670000000 Atomic positions (fractional): 1 Li 0.28728367781379 0.71271632218621 0.50000000000000 6.941 2 Li 0.78728367781379 0.78728367781379 0.00000000000000 6.941 3 Li 0.21271632218621 0.21271632218621 0.00000000000000 6.941 4 Li 0.71271632218621 0.28728367781379 0.50000000000000 6.941 5 Li 0.21271632218621 0.78728367781379 0.00000000000000 6.941 6 Li 0.71271632218621 0.71271632218621 0.50000000000000 6.941 7 Li 0.28728367781379 0.28728367781379 0.50000000000000 6.941 8 Li 0.78728367781379 0.21271632218621 0.00000000000000 6.941 9 Li 0.00000000000000 0.50000000000000 0.92132862384926 6.941 10 Li 0.00000000000000 0.50000000000000 0.42132862384926 6.941 11 Li 0.50000000000000 0.00000000000000 0.07867137615074 6.941 12 Li 0.50000000000000 0.00000000000000 0.57867137615074 6.941 13 N 0.25732456545008 0.50000000000000 0.20020552498679 14.007 14 N 0.74267543454992 0.50000000000000 0.20020552498679 14.007 15 N 0.00000000000000 0.24267543454992 0.70020552498679 14.007 16 N 0.00000000000000 0.75732456545008 0.70020552498679 14.007 17 N 0.50000000000000 0.25732456545008 0.79979447501321 14.007 18 N 0.24267543454992 0.00000000000000 0.29979447501321 14.007 19 N 0.75732456545008 0.00000000000000 0.29979447501321 14.007 20 N 0.50000000000000 0.74267543454992 0.79979447501321 14.007 21 W 0.00000000000000 0.00000000000000 0.50000000000000 183.840 22 W 0.50000000000000 0.50000000000000 0.00000000000000 183.840 -------------------------------- supercell --------------------------------- Lattice vectors: a 6.630153060000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.630153060000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.756649339999999 Atomic positions (fractional): 1 Li 0.28728367781379 0.71271632218621 0.25000000000000 6.941 \> 1 2 Li 0.28728367781379 0.71271632218621 0.75000000000000 6.941 \> 1 3 Li 0.78728367781379 0.78728367781379 0.00000000000000 6.941 \> 3 4 Li 0.78728367781379 0.78728367781379 0.50000000000000 6.941 \> 3 5 Li 0.21271632218621 0.21271632218621 0.00000000000000 6.941 \> 5 6 Li 0.21271632218621 0.21271632218621 0.50000000000000 6.941 \> 5 7 Li 0.71271632218621 0.28728367781379 0.25000000000000 6.941 \> 7 8 Li 0.71271632218621 0.28728367781379 0.75000000000000 6.941 \> 7 9 Li 0.21271632218621 0.78728367781379 0.00000000000000 6.941 \> 9 10 Li 0.21271632218621 0.78728367781379 0.50000000000000 6.941 \> 9 11 Li 0.71271632218621 0.71271632218621 0.25000000000000 6.941 \> 11 12 Li 0.71271632218621 0.71271632218621 0.75000000000000 6.941 \> 11 13 Li 0.28728367781379 0.28728367781379 0.25000000000000 6.941 \> 13 14 Li 0.28728367781379 0.28728367781379 0.75000000000000 6.941 \> 13 15 Li 0.78728367781379 0.21271632218621 0.00000000000000 6.941 \> 15 16 Li 0.78728367781379 0.21271632218621 0.50000000000000 6.941 \> 15 17 Li 0.00000000000000 0.50000000000000 0.46066431192463 6.941 \> 17 18 Li 0.00000000000000 0.50000000000000 0.96066431192463 6.941 \> 17 19 Li 0.00000000000000 0.50000000000000 0.21066431192463 6.941 \> 19 20 Li 0.00000000000000 0.50000000000000 0.71066431192463 6.941 \> 19 21 Li 0.50000000000000 0.00000000000000 0.03933568807537 6.941 \> 21 22 Li 0.50000000000000 0.00000000000000 0.53933568807537 6.941 \> 21 23 Li 0.50000000000000 0.00000000000000 0.28933568807537 6.941 \> 23 24 Li 0.50000000000000 0.00000000000000 0.78933568807537 6.941 \> 23 25 N 0.25732456545008 0.50000000000000 0.10010276249340 14.007 \> 25 26 N 0.25732456545008 0.50000000000000 0.60010276249340 14.007 \> 25 27 N 0.74267543454992 0.50000000000000 0.10010276249340 14.007 \> 27 28 N 0.74267543454992 0.50000000000000 0.60010276249340 14.007 \> 27 29 N 0.00000000000000 0.24267543454992 0.35010276249340 14.007 \> 29 30 N 0.00000000000000 0.24267543454992 0.85010276249340 14.007 \> 29 31 N 0.00000000000000 0.75732456545008 0.35010276249340 14.007 \> 31 32 N 0.00000000000000 0.75732456545008 0.85010276249340 14.007 \> 31 33 N 0.50000000000000 0.25732456545008 0.39989723750660 14.007 \> 33 34 N 0.50000000000000 0.25732456545008 0.89989723750660 14.007 \> 33 35 N 0.24267543454992 0.00000000000000 0.14989723750660 14.007 \> 35 36 N 0.24267543454992 0.00000000000000 0.64989723750660 14.007 \> 35 37 N 0.75732456545008 0.00000000000000 0.14989723750660 14.007 \> 37 38 N 0.75732456545008 0.00000000000000 0.64989723750660 14.007 \> 37 39 N 0.50000000000000 0.74267543454992 0.39989723750660 14.007 \> 39 40 N 0.50000000000000 0.74267543454992 0.89989723750660 14.007 \> 39 41 W 0.00000000000000 0.00000000000000 0.25000000000000 183.840 \> 41 42 W 0.00000000000000 0.00000000000000 0.75000000000000 183.840 \> 41 43 W 0.50000000000000 0.50000000000000 0.00000000000000 183.840 \> 43 44 W 0.50000000000000 0.50000000000000 0.50000000000000 183.840 \> 43 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.1192343 0.0000000 0.0000000 0.0000000 5.1192343 0.0000000 0.0000000 0.0000000 4.4140144 -------------------------- Born effective charges -------------------------- 1 Li 0.8576407 -0.4052220 -0.0054944 -0.4052220 0.8576407 -0.0054944 0.2173300 0.2173300 0.9386390 2 Li 0.8576407 0.4052220 0.0054944 0.4052220 0.8576407 -0.0054944 -0.2173300 0.2173300 0.9386390 3 Li 0.8576407 0.4052220 -0.0054944 0.4052220 0.8576407 0.0054944 0.2173300 -0.2173300 0.9386390 4 Li 0.8576407 -0.4052220 0.0054944 -0.4052220 0.8576407 0.0054944 -0.2173300 -0.2173300 0.9386390 5 Li 0.8576407 -0.4052220 -0.0054944 -0.4052220 0.8576407 -0.0054944 0.2173300 0.2173300 0.9386390 6 Li 0.8576407 0.4052220 0.0054944 0.4052220 0.8576407 -0.0054944 -0.2173300 0.2173300 0.9386390 7 Li 0.8576407 0.4052220 -0.0054944 0.4052220 0.8576407 0.0054944 0.2173300 -0.2173300 0.9386390 8 Li 0.8576407 -0.4052220 0.0054944 -0.4052220 0.8576407 0.0054944 -0.2173300 -0.2173300 0.9386390 9 Li 1.3255835 0.0000000 0.0000000 0.0000000 1.3179591 0.0000000 0.0000000 0.0000000 0.8927383 10 Li 1.3179591 0.0000000 0.0000000 0.0000000 1.3255835 0.0000000 0.0000000 0.0000000 0.8927383 11 Li 1.3179591 0.0000000 0.0000000 0.0000000 1.3255835 0.0000000 0.0000000 0.0000000 0.8927383 12 Li 1.3255835 0.0000000 0.0000000 0.0000000 1.3179591 0.0000000 0.0000000 0.0000000 0.8927383 13 N -3.0965290 0.0000000 1.0298708 0.0000000 -1.5324390 0.0000000 0.7081314 0.0000000 -1.8816825 14 N -3.0965290 0.0000000 -1.0298708 0.0000000 -1.5324390 0.0000000 -0.7081314 0.0000000 -1.8816825 15 N -1.5324390 0.0000000 0.0000000 0.0000000 -3.0965290 -1.0298708 0.0000000 -0.7081314 -1.8816825 16 N -1.5324390 0.0000000 0.0000000 0.0000000 -3.0965290 1.0298708 0.0000000 0.7081314 -1.8816825 17 N -1.5324390 0.0000000 0.0000000 0.0000000 -3.0965290 -1.0298708 0.0000000 -0.7081314 -1.8816825 18 N -3.0965290 0.0000000 1.0298708 0.0000000 -1.5324390 0.0000000 0.7081314 0.0000000 -1.8816825 19 N -3.0965290 0.0000000 -1.0298708 0.0000000 -1.5324390 0.0000000 -0.7081314 0.0000000 -1.8816825 20 N -1.5324390 0.0000000 0.0000000 0.0000000 -3.0965290 1.0298708 0.0000000 0.7081314 -1.8816825 21 W 3.1838304 0.0000000 0.0000000 0.0000000 3.1838304 0.0000000 0.0000000 0.0000000 1.9866973 22 W 3.1838304 0.0000000 0.0000000 0.0000000 3.1838304 0.0000000 0.0000000 0.0000000 1.9866973 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000007 (xzx) 0.00000007 (xzx) 0.00000007 (xxz) 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 ... \[ 8 8 10 \] 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: 0.69, Number of G-points: 307, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/90) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 90 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 4.096 ( 0.000 0.000 0.000) 0.000 4.096 ( -0.000 0.000 0.000) 0.000 4.125 ( -0.000 0.000 0.000) 0.000 7.229 ( -0.000 0.000 -0.000) 0.000 7.229 ( -0.000 0.000 0.000) 0.000 7.808 ( -0.000 0.000 -0.000) 0.000 8.026 ( 0.000 0.000 0.000) 0.000 8.128 ( -0.000 0.000 0.000) 0.000 8.128 ( 0.000 0.000 0.000) 0.000 8.178 ( -0.000 0.000 0.000) 0.000 8.178 ( 0.000 0.000 0.000) 0.000 8.193 ( -0.000 0.000 0.000) 0.000 8.864 ( 0.000 0.000 -0.000) 0.000 9.011 ( 0.000 0.000 0.000) 0.000 9.238 ( -0.000 0.000 0.000) 0.000 9.238 ( -0.000 0.000 0.000) 0.000 10.143 ( 0.000 -0.000 0.000) 0.000 10.143 ( 0.000 0.000 -0.000) 0.000 10.388 ( 0.000 -0.000 0.000) 0.000 10.893 ( 0.000 0.000 0.000) 0.000 11.024 ( 0.000 0.000 0.000) 0.000 11.201 ( -0.000 0.000 0.000) 0.000 11.358 ( 0.000 0.000 0.000) 0.000 11.358 ( -0.000 0.000 0.000) 0.000 11.392 ( 0.000 0.000 0.000) 0.000 11.411 ( 0.000 0.000 -0.000) 0.000 11.411 ( -0.000 0.000 -0.000) 0.000 11.704 ( -0.000 0.000 0.000) 0.000 12.109 ( -0.000 0.000 -0.000) 0.000 12.446 ( -0.000 0.000 0.000) 0.000 12.446 ( 0.000 0.000 0.000) 0.000 12.670 ( -0.000 0.000 -0.000) 0.000 13.193 ( 0.000 -0.000 0.000) 0.000 13.457 ( 0.000 -0.000 0.000) 0.000 13.803 ( -0.000 0.000 -0.000) 0.000 13.803 ( 0.000 -0.000 0.000) 0.000 13.815 ( -0.000 0.000 -0.000) 0.000 14.535 ( 0.000 0.000 0.000) 0.000 14.535 ( 0.000 0.000 0.000) 0.000 14.718 ( 0.000 0.000 -0.000) 0.000 14.718 ( -0.000 0.000 -0.000) 0.000 15.072 ( 0.000 0.000 -0.000) 0.000 15.156 ( -0.000 0.000 0.000) 0.000 15.386 ( 0.000 -0.000 -0.000) 0.000 15.386 ( -0.000 0.000 0.000) 0.000 15.463 ( -0.000 0.000 0.000) 0.000 16.186 ( -0.000 0.000 -0.000) 0.000 16.407 ( -0.000 0.000 0.000) 0.000 16.509 ( 0.000 0.000 0.000) 0.000 16.703 ( -0.000 0.000 0.000) 0.000 16.926 ( -0.000 0.000 0.000) 0.000 18.071 ( 0.000 0.000 0.000) 0.000 18.071 ( 0.000 0.000 -0.000) 0.000 18.074 ( 0.000 -0.000 0.000) 0.000 18.074 ( -0.000 0.000 0.000) 0.000 22.430 ( 0.000 0.000 -0.000) 0.000 22.430 ( 0.000 -0.000 -0.000) 0.000 22.686 ( 0.000 0.000 0.000) 0.000 22.686 ( -0.000 0.000 -0.000) 0.000 23.144 ( -0.000 0.000 0.000) 0.000 24.722 ( 0.000 0.000 0.000) 0.000 26.893 ( 0.000 -0.000 -0.000) 0.000 27.131 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/90) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 0.767 ( 40.405 0.000 0.000) 40.405 0.802 ( 41.826 0.000 0.000) 41.826 1.182 ( 60.859 0.000 0.000) 60.859 4.002 ( -9.782 0.000 0.000) 9.782 4.047 ( -8.301 0.000 0.000) 8.301 4.111 ( 1.260 0.000 0.000) 1.260 7.230 ( -0.036 0.000 0.000) 0.036 7.599 ( 1.454 0.000 0.000) 1.454 7.709 ( -9.124 0.000 0.000) 9.124 7.902 ( -11.943 0.000 0.000) 11.943 7.966 ( -4.757 0.000 0.000) 4.757 8.046 ( -7.661 0.000 0.000) 7.661 8.190 ( -0.051 0.000 0.000) 0.051 8.244 ( 4.586 0.000 0.000) 4.586 8.449 ( 14.019 0.000 0.000) 14.019 8.910 ( -6.484 0.000 0.000) 6.484 8.921 ( 6.040 0.000 0.000) 6.040 9.262 ( 2.801 0.000 0.000) 2.801 9.342 ( 7.524 0.000 0.000) 7.524 10.061 ( -6.391 0.000 0.000) 6.391 10.162 ( 0.725 0.000 0.000) 0.725 10.515 ( 9.891 0.000 0.000) 9.891 10.956 ( 5.065 0.000 0.000) 5.065 11.025 ( -16.884 0.000 0.000) 16.884 11.071 ( 4.036 0.000 0.000) 4.036 11.074 ( -11.256 0.000 0.000) 11.256 11.190 ( -19.053 0.000 0.000) 19.053 11.457 ( 3.260 0.000 0.000) 3.260 11.463 ( 5.564 0.000 0.000) 5.564 11.687 ( 15.126 0.000 0.000) 15.126 11.899 ( 12.259 0.000 0.000) 12.259 12.084 ( -2.378 0.000 0.000) 2.378 12.417 ( -2.802 0.000 0.000) 2.802 12.447 ( 0.061 0.000 0.000) 0.061 12.681 ( 1.402 0.000 0.000) 1.402 13.199 ( 0.534 0.000 0.000) 0.534 13.425 ( -3.356 0.000 0.000) 3.356 13.772 ( -3.378 0.000 0.000) 3.378 13.812 ( 0.311 0.000 0.000) 0.311 14.440 ( 6.086 0.000 0.000) 6.086 14.520 ( -1.499 0.000 0.000) 1.499 14.651 ( -6.473 0.000 0.000) 6.473 14.716 ( -0.217 0.000 0.000) 0.217 14.913 ( -15.169 0.000 0.000) 15.169 15.027 ( -3.459 0.000 0.000) 3.459 15.410 ( -5.523 0.000 0.000) 5.523 15.508 ( 10.872 0.000 0.000) 10.872 15.654 ( 18.029 0.000 0.000) 18.029 15.964 ( 1.774 0.000 0.000) 1.774 16.212 ( 2.603 0.000 0.000) 2.603 16.435 ( 2.504 0.000 0.000) 2.504 16.505 ( -0.505 0.000 0.000) 0.505 16.693 ( -0.831 0.000 0.000) 0.831 16.930 ( 0.444 0.000 0.000) 0.444 18.059 ( -1.575 0.000 0.000) 1.575 18.061 ( -1.030 0.000 0.000) 1.030 18.084 ( 1.002 0.000 0.000) 1.002 18.578 ( -3.374 0.000 0.000) 3.374 22.438 ( 0.870 0.000 0.000) 0.870 22.675 ( -1.163 0.000 0.000) 1.163 22.704 ( 1.870 0.000 0.000) 1.870 23.124 ( -2.019 0.000 0.000) 2.019 24.729 ( 0.862 0.000 0.000) 0.862 25.477 ( -7.017 0.000 0.000) 7.017 26.933 ( 3.926 0.000 0.000) 3.926 27.137 ( 0.632 0.000 0.000) 0.632 ======================= Grid point 2 (3/90) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.517 ( 39.042 0.000 0.000) 39.042 1.564 ( 38.754 0.000 0.000) 38.754 2.260 ( 52.529 0.000 0.000) 52.529 3.739 ( -17.708 0.000 0.000) 17.708 3.810 ( -16.781 0.000 0.000) 16.781 4.119 ( -1.262 0.000 0.000) 1.262 7.222 ( -0.910 0.000 0.000) 0.910 7.512 ( -10.804 0.000 0.000) 10.804 7.595 ( -3.174 0.000 0.000) 3.174 7.780 ( 0.702 0.000 0.000) 0.702 7.863 ( -6.329 0.000 0.000) 6.329 7.896 ( -6.730 0.000 0.000) 6.730 8.141 ( -5.288 0.000 0.000) 5.288 8.279 ( -1.942 0.000 0.000) 1.942 8.685 ( 10.817 0.000 0.000) 10.817 8.859 ( 1.818 0.000 0.000) 1.818 9.094 ( 12.202 0.000 0.000) 12.202 9.354 ( 7.020 0.000 0.000) 7.020 9.477 ( 7.103 0.000 0.000) 7.103 9.929 ( -7.580 0.000 0.000) 7.580 10.181 ( 1.163 0.000 0.000) 1.163 10.576 ( -14.482 0.000 0.000) 14.482 10.757 ( 2.464 0.000 0.000) 2.464 10.809 ( -20.688 0.000 0.000) 20.688 10.830 ( -13.664 0.000 0.000) 13.664 11.130 ( 1.319 0.000 0.000) 1.319 11.179 ( 14.570 0.000 0.000) 14.570 11.516 ( 3.153 0.000 0.000) 3.153 11.610 ( 9.003 0.000 0.000) 9.003 11.943 ( 11.932 0.000 0.000) 11.932 11.970 ( -5.427 0.000 0.000) 5.427 12.135 ( 8.344 0.000 0.000) 8.344 12.355 ( -3.232 0.000 0.000) 3.232 12.442 ( -0.816 0.000 0.000) 0.816 12.736 ( 4.694 0.000 0.000) 4.694 13.207 ( 0.364 0.000 0.000) 0.364 13.333 ( -6.315 0.000 0.000) 6.315 13.674 ( -7.044 0.000 0.000) 7.044 13.850 ( 4.110 0.000 0.000) 4.110 14.486 ( -1.841 0.000 0.000) 1.841 14.500 ( -9.001 0.000 0.000) 9.001 14.576 ( 7.623 0.000 0.000) 7.623 14.646 ( -9.258 0.000 0.000) 9.258 14.744 ( 0.030 0.000 0.000) 0.030 14.962 ( -3.345 0.000 0.000) 3.345 15.266 ( -9.342 0.000 0.000) 9.342 15.738 ( 12.596 0.000 0.000) 12.596 15.974 ( 15.236 0.000 0.000) 15.236 16.013 ( 3.306 0.000 0.000) 3.306 16.274 ( 3.654 0.000 0.000) 3.654 16.471 ( 0.314 0.000 0.000) 0.314 16.484 ( -1.903 0.000 0.000) 1.903 16.697 ( 2.218 0.000 0.000) 2.218 16.938 ( 0.202 0.000 0.000) 0.202 18.021 ( -2.235 0.000 0.000) 2.235 18.034 ( -1.814 0.000 0.000) 1.814 18.113 ( 2.088 0.000 0.000) 2.088 18.489 ( -5.859 0.000 0.000) 5.859 22.462 ( 1.678 0.000 0.000) 1.678 22.644 ( -2.091 0.000 0.000) 2.091 22.754 ( 3.313 0.000 0.000) 3.313 23.071 ( -3.571 0.000 0.000) 3.571 24.759 ( 2.401 0.000 0.000) 2.401 25.308 ( -10.262 0.000 0.000) 10.262 27.021 ( 4.838 0.000 0.000) 4.838 27.152 ( 0.775 0.000 0.000) 0.775 ======================= Grid point 3 (4/90) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 2.230 ( 36.244 0.000 0.000) 36.244 2.254 ( 34.179 0.000 0.000) 34.179 3.123 ( 36.927 0.000 0.000) 36.927 3.346 ( -23.715 0.000 0.000) 23.715 3.423 ( -22.733 0.000 0.000) 22.733 4.027 ( -9.507 0.000 0.000) 9.507 7.202 ( -0.735 0.000 0.000) 0.735 7.329 ( -8.135 0.000 0.000) 8.135 7.546 ( -0.296 0.000 0.000) 0.296 7.728 ( -7.652 0.000 0.000) 7.652 7.830 ( -0.048 0.000 0.000) 0.048 7.874 ( 7.488 0.000 0.000) 7.488 8.012 ( -7.513 0.000 0.000) 7.513 8.185 ( -7.135 0.000 0.000) 7.135 8.851 ( 6.714 0.000 0.000) 6.714 8.928 ( 3.196 0.000 0.000) 3.196 9.355 ( 14.245 0.000 0.000) 14.245 9.530 ( 12.181 0.000 0.000) 12.181 9.643 ( 11.562 0.000 0.000) 11.562 9.774 ( -8.954 0.000 0.000) 8.954 10.175 ( -4.889 0.000 0.000) 4.889 10.207 ( -20.747 0.000 0.000) 20.747 10.460 ( -12.847 0.000 0.000) 12.847 10.590 ( -11.160 0.000 0.000) 11.160 10.883 ( 7.415 0.000 0.000) 7.415 11.110 ( -3.321 0.000 0.000) 3.321 11.465 ( 14.452 0.000 0.000) 14.452 11.587 ( 4.670 0.000 0.000) 4.670 11.736 ( 2.652 0.000 0.000) 2.652 11.837 ( -7.802 0.000 0.000) 7.802 12.136 ( 8.498 0.000 0.000) 8.498 12.269 ( 5.679 0.000 0.000) 5.679 12.309 ( -1.821 0.000 0.000) 1.821 12.413 ( -2.261 0.000 0.000) 2.261 12.859 ( 8.054 0.000 0.000) 8.054 13.193 ( -8.403 0.000 0.000) 8.403 13.229 ( 2.686 0.000 0.000) 2.686 13.512 ( -9.768 0.000 0.000) 9.768 13.966 ( 7.875 0.000 0.000) 7.875 14.321 ( -9.865 0.000 0.000) 9.865 14.459 ( -0.858 0.000 0.000) 0.858 14.510 ( -4.684 0.000 0.000) 4.684 14.711 ( 6.543 0.000 0.000) 6.543 14.787 ( 4.138 0.000 0.000) 4.138 14.897 ( -3.666 0.000 0.000) 3.666 15.077 ( -10.191 0.000 0.000) 10.191 15.957 ( 10.015 0.000 0.000) 10.015 16.078 ( 2.979 0.000 0.000) 2.979 16.210 ( 9.505 0.000 0.000) 9.505 16.332 ( 1.919 0.000 0.000) 1.919 16.435 ( -2.952 0.000 0.000) 2.952 16.439 ( -2.879 0.000 0.000) 2.879 16.778 ( 5.465 0.000 0.000) 5.465 16.928 ( -1.525 0.000 0.000) 1.525 17.984 ( -1.390 0.000 0.000) 1.390 17.998 ( -1.780 0.000 0.000) 1.780 18.165 ( 3.607 0.000 0.000) 3.607 18.368 ( -6.616 0.000 0.000) 6.616 22.500 ( 2.324 0.000 0.000) 2.324 22.599 ( -2.617 0.000 0.000) 2.617 22.825 ( 4.193 0.000 0.000) 4.193 22.994 ( -4.410 0.000 0.000) 4.410 24.826 ( 4.838 0.000 0.000) 4.838 25.113 ( -9.990 0.000 0.000) 9.990 27.101 ( 3.497 0.000 0.000) 3.497 27.161 ( 0.073 0.000 0.000) 0.073 ======================= Grid point 4 (5/90) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 2.849 ( -28.984 0.000 0.000) 28.984 2.849 ( 28.984 0.000 0.000) 28.984 2.872 ( -31.418 0.000 0.000) 31.418 2.872 ( 31.418 0.000 0.000) 31.418 3.727 ( -23.027 0.000 0.000) 23.027 3.727 ( 23.027 0.000 0.000) 23.027 7.220 ( -3.207 0.000 0.000) 3.207 7.220 ( 3.207 0.000 0.000) 3.207 7.597 ( -5.444 0.000 0.000) 5.444 7.597 ( 5.444 0.000 0.000) 5.444 7.885 ( -5.392 0.000 0.000) 5.392 7.885 ( 5.392 0.000 0.000) 5.392 8.032 ( -8.721 0.000 0.000) 8.721 8.032 ( 8.721 0.000 0.000) 8.721 8.937 ( -2.252 0.000 0.000) 2.252 8.937 ( 2.252 0.000 0.000) 2.252 9.590 ( -10.709 0.000 0.000) 10.709 9.590 ( 10.709 0.000 0.000) 10.709 9.828 ( -18.834 0.000 0.000) 18.834 9.828 ( 18.834 0.000 0.000) 18.834 9.923 ( -17.125 0.000 0.000) 17.125 9.923 ( 17.125 0.000 0.000) 17.125 10.427 ( -5.576 0.000 0.000) 5.576 10.427 ( 5.576 0.000 0.000) 5.576 11.015 ( -6.357 0.000 0.000) 6.357 11.015 ( 6.357 0.000 0.000) 6.357 11.684 ( -7.877 0.000 0.000) 7.877 11.684 ( 7.877 0.000 0.000) 7.877 11.696 ( -6.824 0.000 0.000) 6.824 11.696 ( 6.824 0.000 0.000) 6.824 12.258 ( -4.333 0.000 0.000) 4.333 12.258 ( 4.333 0.000 0.000) 4.333 12.356 ( -3.741 0.000 0.000) 3.741 12.356 ( 3.741 0.000 0.000) 3.741 13.025 ( -9.178 0.000 0.000) 9.178 13.025 ( 9.178 0.000 0.000) 9.178 13.332 ( -8.255 0.000 0.000) 8.255 13.332 ( 8.255 0.000 0.000) 8.255 14.135 ( -9.711 0.000 0.000) 9.711 14.135 ( 9.711 0.000 0.000) 9.711 14.459 ( -1.100 0.000 0.000) 1.100 14.459 ( 1.100 0.000 0.000) 1.100 14.819 ( -4.846 0.000 0.000) 4.846 14.819 ( 4.846 0.000 0.000) 4.846 14.901 ( -7.958 0.000 0.000) 7.958 14.901 ( 7.958 0.000 0.000) 7.958 16.087 ( -3.092 0.000 0.000) 3.092 16.087 ( 3.092 0.000 0.000) 3.092 16.327 ( -2.937 0.000 0.000) 2.937 16.327 ( 2.937 0.000 0.000) 2.937 16.401 ( -0.222 0.000 0.000) 0.222 16.401 ( 0.222 0.000 0.000) 0.222 16.874 ( -4.227 0.000 0.000) 4.227 16.874 ( 4.227 0.000 0.000) 4.227 17.975 ( -0.461 0.000 0.000) 0.461 17.975 ( 0.461 0.000 0.000) 0.461 18.251 ( -5.499 0.000 0.000) 5.499 18.251 ( 5.499 0.000 0.000) 5.499 22.548 ( -2.678 0.000 0.000) 2.678 22.548 ( 2.678 0.000 0.000) 2.678 22.909 ( -4.569 0.000 0.000) 4.569 22.909 ( 4.569 0.000 0.000) 4.569 24.944 ( -7.716 0.000 0.000) 7.716 24.944 ( 7.716 0.000 0.000) 7.716 27.149 ( -1.507 0.000 0.000) 1.507 27.149 ( 1.507 0.000 0.000) 1.507 ======================= Grid point 10 (6/90) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 0.894 ( 23.463 23.463 0.000) 33.181 1.073 ( 27.654 27.654 0.000) 39.109 1.783 ( 44.391 44.391 0.000) 62.778 3.933 ( -8.409 -8.409 0.000) 11.893 3.975 ( -7.368 -7.368 0.000) 10.420 4.113 ( 1.145 1.145 0.000) 1.619 7.198 ( -4.673 -4.673 0.000) 6.609 7.511 ( -5.582 -5.582 0.000) 7.894 7.538 ( -14.610 -14.610 0.000) 20.661 7.886 ( -1.809 -1.809 0.000) 2.559 7.903 ( -5.468 -5.468 0.000) 7.733 7.970 ( -4.633 -4.633 0.000) 6.552 8.196 ( 1.286 1.286 0.000) 1.818 8.429 ( 12.190 12.190 0.000) 17.239 8.588 ( 11.242 11.242 0.000) 15.899 8.698 ( -8.724 -8.724 0.000) 12.337 9.121 ( 8.079 8.079 0.000) 11.426 9.245 ( 1.324 1.324 0.000) 1.872 9.416 ( 6.279 6.279 0.000) 8.880 10.004 ( -4.812 -4.812 0.000) 6.805 10.188 ( 1.772 1.772 0.000) 2.506 10.554 ( -1.384 -1.384 0.000) 1.957 10.772 ( -9.857 -9.857 0.000) 13.940 11.012 ( -7.051 -7.051 0.000) 9.971 11.012 ( 5.738 5.738 0.000) 8.115 11.067 ( -0.570 -0.570 0.000) 0.806 11.334 ( -5.487 -5.487 0.000) 7.760 11.446 ( 3.924 3.924 0.000) 5.549 11.551 ( 4.603 4.603 0.000) 6.510 11.573 ( 1.986 1.986 0.000) 2.809 12.038 ( 5.173 5.173 0.000) 7.316 12.086 ( 5.066 5.066 0.000) 7.164 12.410 ( -1.604 -1.604 0.000) 2.269 12.428 ( -1.053 -1.053 0.000) 1.490 12.684 ( 0.612 0.612 0.000) 0.865 13.207 ( 0.733 0.733 0.000) 1.037 13.399 ( -2.801 -2.801 0.000) 3.962 13.802 ( -0.314 -0.314 0.000) 0.444 13.821 ( 0.762 0.762 0.000) 1.078 14.408 ( 1.209 1.209 0.000) 1.709 14.525 ( -0.302 -0.302 0.000) 0.427 14.629 ( -3.845 -3.845 0.000) 5.438 14.653 ( -5.474 -5.474 0.000) 7.742 14.799 ( -7.819 -7.819 0.000) 11.057 15.001 ( -2.379 -2.379 0.000) 3.364 15.354 ( -5.585 -5.585 0.000) 7.899 15.654 ( 11.391 11.391 0.000) 16.109 15.753 ( 10.447 10.447 0.000) 14.775 15.975 ( 1.429 1.429 0.000) 2.021 16.233 ( 2.146 2.146 0.000) 3.035 16.465 ( 2.861 2.861 0.000) 4.046 16.480 ( -1.330 -1.330 0.000) 1.881 16.679 ( -1.170 -1.170 0.000) 1.655 16.925 ( -0.124 -0.124 0.000) 0.175 17.959 ( -5.786 -5.786 0.000) 8.183 18.174 ( 5.116 5.116 0.000) 7.236 18.176 ( 5.084 5.084 0.000) 7.189 18.487 ( -6.353 -6.353 0.000) 8.985 22.433 ( 0.126 0.126 0.000) 0.178 22.656 ( -1.556 -1.556 0.000) 2.200 22.730 ( 2.273 2.273 0.000) 3.215 23.126 ( -0.892 -0.892 0.000) 1.262 24.734 ( 0.616 0.616 0.000) 0.872 25.409 ( -6.586 -6.586 0.000) 9.314 26.969 ( 3.451 3.451 0.000) 4.880 27.144 ( 0.685 0.685 0.000) 0.969 ======================= Grid point 11 (7/90) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.515 ( 37.076 2.164 0.000) 37.139 1.671 ( 33.919 15.462 0.000) 37.276 2.627 ( 43.093 31.036 0.000) 53.106 3.688 ( -17.023 -5.985 0.000) 18.044 3.767 ( -14.908 -4.587 0.000) 15.598 4.138 ( 0.408 2.314 0.000) 2.350 7.057 ( -9.091 -15.541 0.000) 18.004 7.246 ( -15.243 -21.972 0.000) 26.742 7.425 ( -3.458 -13.549 0.000) 13.983 7.773 ( -8.170 -8.578 0.000) 11.846 7.840 ( -1.079 7.861 0.000) 7.935 7.968 ( 3.391 2.799 0.000) 4.397 8.199 ( -1.688 3.777 0.000) 4.137 8.434 ( -7.549 8.793 0.000) 11.589 8.786 ( 13.053 -0.944 0.000) 13.087 8.799 ( 10.418 10.621 0.000) 14.878 9.209 ( 4.507 8.513 0.000) 9.633 9.354 ( 7.457 0.357 0.000) 7.466 9.568 ( 10.236 8.997 0.000) 13.628 9.896 ( -6.572 -3.377 0.000) 7.389 10.205 ( -2.760 0.729 0.000) 2.855 10.313 ( -14.486 -16.429 0.000) 21.904 10.811 ( 5.664 6.105 0.000) 8.328 10.819 ( -11.998 -1.243 0.000) 12.062 11.039 ( -18.288 12.080 0.000) 21.917 11.064 ( 0.200 -5.688 0.000) 5.692 11.184 ( 12.015 0.979 0.000) 12.055 11.565 ( 5.595 4.168 0.000) 6.977 11.632 ( 5.031 2.054 0.000) 5.434 11.723 ( 6.655 -11.208 0.000) 13.035 12.054 ( 1.920 -0.243 0.000) 1.936 12.245 ( 6.730 10.307 0.000) 12.309 12.357 ( -2.895 0.201 0.000) 2.902 12.418 ( -0.687 -2.305 0.000) 2.406 12.722 ( 3.869 -1.265 0.000) 4.070 13.218 ( -0.112 0.469 0.000) 0.483 13.326 ( -4.274 -0.193 0.000) 4.279 13.748 ( -5.869 5.925 0.000) 8.339 13.842 ( 3.138 -0.486 0.000) 3.176 14.450 ( 0.460 -2.420 0.000) 2.463 14.461 ( -10.398 -4.749 0.000) 11.431 14.554 ( 5.073 -2.063 0.000) 5.477 14.571 ( -4.958 -6.037 0.000) 7.813 14.715 ( -1.183 -2.567 0.000) 2.826 14.948 ( -3.120 -1.568 0.000) 3.492 15.211 ( -9.171 -5.455 0.000) 10.670 15.854 ( 9.862 10.843 0.000) 14.657 16.003 ( 13.825 2.899 0.000) 14.126 16.019 ( 3.121 0.945 0.000) 3.261 16.287 ( 3.381 1.066 0.000) 3.545 16.458 ( -1.325 -1.775 0.000) 2.215 16.509 ( 0.407 3.902 0.000) 3.923 16.678 ( 2.295 -2.028 0.000) 3.063 16.924 ( -0.180 -1.066 0.000) 1.081 17.861 ( -4.343 -10.048 0.000) 10.946 18.159 ( -6.058 9.597 0.000) 11.349 18.263 ( 4.107 9.103 0.000) 9.986 18.414 ( -1.295 -6.544 0.000) 6.671 22.447 ( 1.352 -1.066 0.000) 1.721 22.620 ( -2.201 -2.074 0.000) 3.025 22.784 ( 3.413 2.790 0.000) 4.408 23.086 ( -3.072 0.935 0.000) 3.211 24.757 ( 1.948 -0.078 0.000) 1.949 25.253 ( -9.433 -5.455 0.000) 10.897 27.047 ( 4.358 2.553 0.000) 5.051 27.160 ( 0.870 0.830 0.000) 1.202 ======================= Grid point 12 (8/90) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 2.200 ( 34.512 -2.662 0.000) 34.615 2.310 ( 33.130 8.376 0.000) 34.172 3.306 ( -23.164 -4.265 0.000) 23.553 3.346 ( 26.156 19.119 0.000) 32.398 3.419 ( -15.854 0.601 0.000) 15.865 4.088 ( -6.758 6.125 0.000) 9.120 6.904 ( -5.918 -24.399 0.000) 25.106 6.995 ( -10.684 -27.105 0.000) 29.134 7.397 ( 0.869 -15.077 0.000) 15.102 7.608 ( -8.826 -11.826 0.000) 14.756 7.876 ( 4.633 10.377 0.000) 11.364 8.060 ( 5.947 8.015 0.000) 9.981 8.124 ( -5.962 7.684 0.000) 9.726 8.300 ( -6.514 6.850 0.000) 9.453 8.964 ( 6.849 11.398 0.000) 13.298 8.991 ( 7.282 6.583 0.000) 9.817 9.347 ( 10.218 0.893 0.000) 10.257 9.484 ( 6.723 -0.493 0.000) 6.741 9.758 ( -8.117 -2.012 0.000) 8.363 9.815 ( 15.849 12.480 0.000) 20.172 9.925 ( -17.913 -15.785 0.000) 23.875 10.260 ( -0.165 2.695 0.000) 2.700 10.603 ( -9.984 1.529 0.000) 10.101 10.651 ( -17.290 11.752 0.000) 20.905 10.956 ( 5.149 8.167 0.000) 9.655 11.067 ( -0.288 -3.663 0.000) 3.675 11.421 ( 11.665 -4.479 0.000) 12.495 11.604 ( -0.089 1.225 0.000) 1.228 11.731 ( 3.163 -0.813 0.000) 3.266 11.758 ( -1.471 -6.107 0.000) 6.281 12.153 ( 7.503 0.064 0.000) 7.503 12.321 ( -0.948 1.335 0.000) 1.637 12.323 ( 2.085 5.887 0.000) 6.246 12.391 ( -2.294 -2.064 0.000) 3.086 12.834 ( 7.693 -2.447 0.000) 8.072 13.151 ( -7.119 -3.216 0.000) 7.812 13.307 ( 3.111 6.778 0.000) 7.458 13.600 ( -9.326 8.432 0.000) 12.572 13.941 ( 7.093 -2.350 0.000) 7.472 14.273 ( -9.569 -4.791 0.000) 10.702 14.441 ( -0.465 -1.455 0.000) 1.527 14.486 ( -3.418 -2.320 0.000) 4.131 14.674 ( 6.338 -3.964 0.000) 7.476 14.732 ( 2.693 -4.965 0.000) 5.648 14.887 ( -3.242 -1.323 0.000) 3.501 15.026 ( -9.808 -4.867 0.000) 10.949 16.020 ( 7.220 5.827 0.000) 9.278 16.082 ( 3.096 0.825 0.000) 3.204 16.224 ( 8.958 1.405 0.000) 9.067 16.343 ( 1.854 0.351 0.000) 1.887 16.429 ( -1.381 0.051 0.000) 1.382 16.474 ( -3.040 3.447 0.000) 4.596 16.766 ( 5.791 -1.213 0.000) 5.916 16.911 ( -1.455 -1.600 0.000) 2.163 17.813 ( -0.203 -11.586 0.000) 11.588 18.007 ( -8.745 -0.806 0.000) 8.782 18.330 ( 2.993 11.007 0.000) 11.407 18.401 ( -0.820 4.232 0.000) 4.311 22.481 ( 2.126 -1.720 0.000) 2.734 22.575 ( -2.587 -2.220 0.000) 3.409 22.856 ( 4.113 2.864 0.000) 5.012 23.017 ( -4.092 1.956 0.000) 4.535 24.814 ( 4.223 -1.126 0.000) 4.370 25.073 ( -9.155 -3.930 0.000) 9.963 27.120 ( 3.176 1.823 0.000) 3.662 27.171 ( 0.207 1.047 0.000) 1.067 ======================= Grid point 13 (9/90) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 2.776 ( -18.400 -3.455 0.000) 18.722 2.776 ( 18.400 -3.455 0.000) 18.722 2.940 ( -18.563 3.761 0.000) 18.940 2.940 ( 18.563 3.761 0.000) 18.940 3.850 ( -19.145 11.889 0.000) 22.536 3.850 ( 19.145 11.889 0.000) 22.536 6.867 ( -2.422 -28.257 0.000) 28.360 6.867 ( 2.422 -28.257 0.000) 28.360 7.463 ( -5.977 -14.033 0.000) 15.253 7.463 ( 5.977 -14.033 0.000) 15.253 7.994 ( -7.242 10.190 0.000) 12.501 7.994 ( 7.242 10.190 0.000) 12.501 8.179 ( -6.445 8.257 0.000) 10.474 8.179 ( 6.445 8.257 0.000) 10.474 9.045 ( -1.223 10.984 0.000) 11.052 9.045 ( 1.223 10.984 0.000) 11.052 9.576 ( -12.448 -3.738 0.000) 12.997 9.576 ( 12.448 -3.738 0.000) 12.997 9.636 ( -10.740 -7.043 0.000) 12.843 9.636 ( 10.740 -7.043 0.000) 12.843 10.130 ( -15.256 10.512 0.000) 18.527 10.130 ( 15.256 10.512 0.000) 18.527 10.479 ( -1.482 5.727 0.000) 5.916 10.479 ( 1.482 5.727 0.000) 5.916 11.038 ( -3.037 2.675 0.000) 4.047 11.038 ( 3.037 2.675 0.000) 4.047 11.575 ( -3.972 -6.574 0.000) 7.681 11.575 ( 3.972 -6.574 0.000) 7.681 11.741 ( -0.482 0.168 0.000) 0.510 11.741 ( 0.482 0.168 0.000) 0.510 12.282 ( -4.917 1.436 0.000) 5.123 12.282 ( 4.917 1.436 0.000) 5.123 12.347 ( -1.276 0.158 0.000) 1.286 12.347 ( 1.276 0.158 0.000) 1.286 12.994 ( -8.858 -3.011 0.000) 9.355 12.994 ( 8.858 -3.011 0.000) 9.355 13.422 ( -8.614 8.751 0.000) 12.280 13.422 ( 8.614 8.751 0.000) 12.280 14.097 ( -9.065 -3.704 0.000) 9.792 14.097 ( 9.065 -3.704 0.000) 9.792 14.446 ( -1.054 -1.272 0.000) 1.652 14.446 ( 1.054 -1.272 0.000) 1.652 14.767 ( -2.332 -5.589 0.000) 6.056 14.767 ( 2.332 -5.589 0.000) 6.056 14.873 ( -4.855 -2.472 0.000) 5.448 14.873 ( 4.855 -2.472 0.000) 5.448 16.106 ( -1.456 1.989 0.000) 2.465 16.106 ( 1.456 1.989 0.000) 2.465 16.333 ( -2.950 0.155 0.000) 2.954 16.333 ( 2.950 0.155 0.000) 2.954 16.428 ( -1.332 2.847 0.000) 3.143 16.428 ( 1.332 2.847 0.000) 3.143 16.862 ( -3.918 -1.294 0.000) 4.126 16.862 ( 3.918 -1.294 0.000) 4.126 17.865 ( -5.636 -8.418 0.000) 10.131 17.865 ( 5.636 -8.418 0.000) 10.131 18.376 ( -1.873 9.792 0.000) 9.969 18.376 ( 1.873 9.792 0.000) 9.969 22.525 ( -2.558 -2.086 0.000) 3.300 22.525 ( 2.558 -2.086 0.000) 3.300 22.936 ( -4.358 2.568 0.000) 5.059 22.936 ( 4.358 2.568 0.000) 5.059 24.919 ( -6.973 -2.437 0.000) 7.387 24.919 ( 6.973 -2.437 0.000) 7.387 27.162 ( -1.308 1.352 0.000) 1.881 27.162 ( 1.308 1.352 0.000) 1.881 ======================= Grid point 20 (10/90) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.751 ( 21.535 21.535 0.000) 30.455 2.055 ( 23.995 23.995 0.000) 33.933 3.245 ( 32.020 32.020 0.000) 45.284 3.502 ( -13.516 -13.516 0.000) 19.114 3.634 ( -9.800 -9.800 0.000) 13.859 4.201 ( 3.561 3.561 0.000) 5.036 6.717 ( -18.542 -18.542 0.000) 26.222 6.818 ( -21.803 -21.803 0.000) 30.835 7.209 ( -8.520 -8.520 0.000) 12.050 7.574 ( -11.893 -11.893 0.000) 16.819 8.005 ( 4.916 4.916 0.000) 6.953 8.007 ( 6.110 6.110 0.000) 8.641 8.248 ( 0.954 0.954 0.000) 1.349 8.436 ( -4.781 -4.781 0.000) 6.761 8.931 ( 11.666 11.666 0.000) 16.498 9.026 ( 12.350 12.350 0.000) 17.466 9.331 ( 2.619 2.619 0.000) 3.704 9.423 ( 8.427 8.427 0.000) 11.918 9.784 ( 13.256 13.256 0.000) 18.746 9.808 ( -5.903 -5.903 0.000) 8.348 9.950 ( -17.305 -17.305 0.000) 24.473 10.284 ( 3.147 3.147 0.000) 4.451 10.762 ( -5.559 -5.559 0.000) 7.862 10.957 ( 7.307 7.307 0.000) 10.334 10.982 ( -1.206 -1.206 0.000) 1.705 11.048 ( -7.192 -7.192 0.000) 10.171 11.291 ( 6.260 6.260 0.000) 8.854 11.603 ( -0.671 -0.671 0.000) 0.949 11.645 ( 3.827 3.827 0.000) 5.413 11.661 ( 0.176 0.176 0.000) 0.249 12.065 ( 2.524 2.524 0.000) 3.570 12.354 ( -1.103 -1.103 0.000) 1.560 12.378 ( -1.013 -1.013 0.000) 1.433 12.412 ( 5.986 5.986 0.000) 8.466 12.706 ( 0.471 0.471 0.000) 0.666 13.185 ( -4.295 -4.295 0.000) 6.075 13.361 ( 4.096 4.096 0.000) 5.793 13.816 ( 1.218 1.218 0.000) 1.723 13.856 ( 1.258 1.258 0.000) 1.779 14.322 ( -8.681 -8.681 0.000) 12.277 14.425 ( -0.773 -0.773 0.000) 1.093 14.479 ( -3.800 -3.800 0.000) 5.375 14.525 ( 0.290 0.290 0.000) 0.410 14.665 ( -2.388 -2.388 0.000) 3.378 14.904 ( -2.996 -2.996 0.000) 4.237 15.076 ( -8.446 -8.446 0.000) 11.944 16.055 ( 2.854 2.854 0.000) 4.036 16.064 ( 5.961 5.961 0.000) 8.430 16.088 ( 9.716 9.716 0.000) 13.740 16.308 ( 1.098 1.098 0.000) 1.553 16.441 ( -0.029 -0.029 0.000) 0.041 16.607 ( 4.476 4.476 0.000) 6.330 16.628 ( -1.379 -1.379 0.000) 1.950 16.904 ( -1.180 -1.180 0.000) 1.669 17.692 ( -7.127 -7.127 0.000) 10.079 18.159 ( -10.419 -10.419 0.000) 14.735 18.413 ( 6.876 6.876 0.000) 9.725 18.416 ( 6.908 6.908 0.000) 9.769 22.437 ( 0.065 0.065 0.000) 0.092 22.576 ( -2.556 -2.556 0.000) 3.615 22.847 ( 3.685 3.685 0.000) 5.212 23.086 ( -1.057 -1.057 0.000) 1.494 24.761 ( 0.693 0.693 0.000) 0.979 25.123 ( -7.699 -7.699 0.000) 10.888 27.106 ( 3.371 3.371 0.000) 4.767 27.179 ( 1.119 1.119 0.000) 1.582 ======================= Grid point 21 (11/90) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 2.239 ( 28.001 7.500 0.000) 28.988 2.532 ( 25.574 14.623 0.000) 29.459 3.189 ( -19.424 -7.981 0.000) 20.999 3.386 ( -16.552 -2.384 0.000) 16.722 3.778 ( 23.608 22.516 0.000) 32.623 4.232 ( -1.372 8.165 0.000) 8.280 6.421 ( -11.546 -24.911 0.000) 27.456 6.469 ( -14.159 -26.706 0.000) 30.227 7.118 ( -0.858 -12.978 0.000) 13.006 7.349 ( -11.235 -14.482 0.000) 18.329 8.067 ( 4.291 8.642 0.000) 9.648 8.156 ( 6.929 3.260 0.000) 7.658 8.230 ( -2.693 3.085 0.000) 4.095 8.348 ( -4.247 -0.680 0.000) 4.301 9.128 ( 9.036 6.971 0.000) 11.412 9.231 ( 8.268 15.367 0.000) 17.450 9.384 ( 3.975 0.855 0.000) 4.066 9.563 ( 4.685 8.816 0.000) 9.984 9.639 ( -12.295 -12.150 0.000) 17.285 9.705 ( -7.251 -5.446 0.000) 9.069 10.055 ( 14.937 12.898 0.000) 19.735 10.331 ( 1.292 4.475 0.000) 4.658 10.636 ( -6.055 1.098 0.000) 6.153 10.801 ( -13.497 4.653 0.000) 14.276 11.027 ( 5.110 1.152 0.000) 5.238 11.137 ( 6.400 6.325 0.000) 8.998 11.352 ( 1.938 1.099 0.000) 2.228 11.604 ( -6.000 -1.935 0.000) 6.304 11.648 ( 3.677 -5.635 0.000) 6.728 11.704 ( 1.774 -1.873 0.000) 2.579 12.158 ( 6.715 1.380 0.000) 6.855 12.343 ( 0.095 -0.831 0.000) 0.836 12.361 ( -1.064 0.901 0.000) 1.394 12.445 ( -1.718 5.868 0.000) 6.114 12.771 ( 6.228 -3.997 0.000) 7.400 13.069 ( -7.649 -5.676 0.000) 9.525 13.469 ( 7.261 10.093 0.000) 12.433 13.782 ( -6.028 9.526 0.000) 11.273 13.898 ( 4.741 -1.408 0.000) 4.946 14.164 ( -7.981 -5.985 0.000) 9.975 14.408 ( -0.539 -2.603 0.000) 2.659 14.425 ( -1.695 -4.143 0.000) 4.477 14.579 ( 4.219 -4.920 0.000) 6.481 14.637 ( -0.420 -4.385 0.000) 4.405 14.842 ( -3.241 -3.387 0.000) 4.687 14.913 ( -8.142 -6.800 0.000) 10.608 16.118 ( 3.342 2.889 0.000) 4.418 16.137 ( 2.846 5.793 0.000) 6.454 16.258 ( 6.361 2.009 0.000) 6.670 16.326 ( 0.641 -1.643 0.000) 1.764 16.454 ( 1.458 2.240 0.000) 2.673 16.552 ( -3.690 4.005 0.000) 5.446 16.739 ( 6.127 -1.175 0.000) 6.239 16.875 ( -1.909 -2.076 0.000) 2.820 17.621 ( 0.342 -7.913 0.000) 7.921 17.929 ( -12.709 -7.129 0.000) 14.572 18.518 ( 3.815 8.539 0.000) 9.353 18.522 ( 3.885 7.421 0.000) 8.376 22.450 ( 1.274 -1.291 0.000) 1.813 22.527 ( -2.541 -2.629 0.000) 3.656 22.919 ( 3.843 3.511 0.000) 5.206 23.049 ( -2.717 1.110 0.000) 2.935 24.790 ( 2.577 -1.129 0.000) 2.814 24.980 ( -7.194 -5.557 0.000) 9.091 27.163 ( 2.474 2.491 0.000) 3.511 27.196 ( 0.534 1.457 0.000) 1.552 ======================= Grid point 22 (12/90) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 2.741 ( -22.957 -0.235 0.000) 22.959 2.741 ( 22.957 -0.235 0.000) 22.959 3.020 ( -20.483 4.959 0.000) 21.075 3.020 ( 20.483 4.959 0.000) 21.075 4.114 ( -11.807 14.524 0.000) 18.718 4.114 ( 11.807 14.524 0.000) 18.718 6.318 ( -1.264 -27.962 0.000) 27.991 6.318 ( 1.264 -27.962 0.000) 27.991 7.175 ( -6.597 -15.021 0.000) 16.406 7.175 ( 6.597 -15.021 0.000) 16.406 8.156 ( -4.737 6.052 0.000) 7.685 8.156 ( 4.737 6.052 0.000) 7.685 8.266 ( -4.821 1.849 0.000) 5.164 8.266 ( 4.821 1.849 0.000) 5.164 9.269 ( -4.835 8.994 0.000) 10.211 9.269 ( 4.835 8.994 0.000) 10.211 9.475 ( -5.359 -2.091 0.000) 5.752 9.475 ( 5.359 -2.091 0.000) 5.752 9.610 ( -2.386 0.948 0.000) 2.567 9.610 ( 2.386 0.948 0.000) 2.567 10.291 ( -7.636 7.864 0.000) 10.961 10.291 ( 7.636 7.864 0.000) 10.961 10.602 ( -4.627 5.643 0.000) 7.298 10.602 ( 4.627 5.643 0.000) 7.298 11.138 ( -5.181 8.262 0.000) 9.752 11.138 ( 5.181 8.262 0.000) 9.752 11.456 ( -8.495 -5.895 0.000) 10.340 11.456 ( 8.495 -5.895 0.000) 10.340 11.704 ( -1.728 -3.666 0.000) 4.053 11.704 ( 1.728 -3.666 0.000) 4.053 12.283 ( -5.635 -0.163 0.000) 5.637 12.283 ( 5.635 -0.163 0.000) 5.637 12.392 ( -3.049 3.364 0.000) 4.540 12.392 ( 3.049 3.364 0.000) 4.540 12.913 ( -8.343 -5.577 0.000) 10.035 12.913 ( 8.343 -5.577 0.000) 10.035 13.628 ( -9.124 12.214 0.000) 15.245 13.628 ( 9.124 12.214 0.000) 15.245 14.018 ( -7.425 -3.882 0.000) 8.378 14.018 ( 7.425 -3.882 0.000) 8.378 14.409 ( -0.409 -3.172 0.000) 3.198 14.409 ( 0.409 -3.172 0.000) 3.198 14.636 ( -0.936 -6.886 0.000) 6.949 14.636 ( 0.936 -6.886 0.000) 6.949 14.811 ( -1.425 -4.196 0.000) 4.431 14.811 ( 1.425 -4.196 0.000) 4.431 16.160 ( -0.662 3.606 0.000) 3.667 16.160 ( 0.662 3.606 0.000) 3.667 16.324 ( -1.199 -1.061 0.000) 1.601 16.324 ( 1.199 -1.061 0.000) 1.601 16.493 ( -2.549 3.502 0.000) 4.331 16.493 ( 2.549 3.502 0.000) 4.331 16.828 ( -3.341 -2.162 0.000) 3.980 16.828 ( 3.341 -2.162 0.000) 3.980 17.714 ( -9.061 -7.017 0.000) 11.460 17.714 ( 9.061 -7.017 0.000) 11.460 18.556 ( -0.185 8.661 0.000) 8.663 18.556 ( 0.185 8.661 0.000) 8.663 22.482 ( -2.111 -2.215 0.000) 3.060 22.482 ( 2.111 -2.215 0.000) 3.060 22.989 ( -3.546 2.660 0.000) 4.433 22.989 ( 3.546 2.660 0.000) 4.433 24.862 ( -5.086 -3.283 0.000) 6.053 24.862 ( 5.086 -3.283 0.000) 6.053 27.194 ( -0.851 1.884 0.000) 2.067 27.194 ( 0.851 1.884 0.000) 2.067 ======================= Grid point 30 (13/90) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 2.464 ( 15.209 15.209 0.000) 21.509 2.832 ( 16.145 16.145 0.000) 22.833 3.010 ( -11.069 -11.069 0.000) 15.654 3.303 ( -6.925 -6.925 0.000) 9.794 4.147 ( 15.718 15.718 0.000) 22.228 4.356 ( 3.949 3.949 0.000) 5.584 6.025 ( -15.725 -15.725 0.000) 22.239 6.044 ( -16.988 -16.988 0.000) 24.025 6.941 ( -5.171 -5.171 0.000) 7.313 7.094 ( -11.745 -11.745 0.000) 16.610 8.169 ( 2.468 2.468 0.000) 3.490 8.231 ( 4.705 4.705 0.000) 6.653 8.238 ( -1.530 -1.530 0.000) 2.164 8.331 ( -0.853 -0.853 0.000) 1.207 9.254 ( 6.239 6.239 0.000) 8.824 9.390 ( 0.955 0.955 0.000) 1.351 9.445 ( -7.229 -7.229 0.000) 10.223 9.501 ( 11.343 11.343 0.000) 16.042 9.594 ( -6.087 -6.087 0.000) 8.608 9.700 ( 3.567 3.567 0.000) 5.045 10.298 ( 11.810 11.810 0.000) 16.703 10.406 ( 2.969 2.969 0.000) 4.199 10.633 ( -0.223 -0.223 0.000) 0.315 10.816 ( -3.736 -3.736 0.000) 5.284 11.133 ( 9.163 9.163 0.000) 12.959 11.189 ( 4.652 4.652 0.000) 6.578 11.456 ( 1.604 1.604 0.000) 2.268 11.518 ( -7.277 -7.277 0.000) 10.291 11.553 ( -1.365 -1.365 0.000) 1.931 11.664 ( -2.262 -2.262 0.000) 3.199 12.219 ( 4.860 4.860 0.000) 6.873 12.335 ( 0.412 0.412 0.000) 0.583 12.385 ( 1.105 1.105 0.000) 1.563 12.505 ( -0.758 -0.758 0.000) 1.072 12.718 ( 0.144 0.144 0.000) 0.203 12.938 ( -7.910 -7.910 0.000) 11.186 13.669 ( 10.614 10.614 0.000) 15.010 13.894 ( 2.737 2.737 0.000) 3.870 13.922 ( 2.022 2.022 0.000) 2.860 14.064 ( -4.754 -4.754 0.000) 6.723 14.333 ( -3.805 -3.805 0.000) 5.382 14.346 ( -3.444 -3.444 0.000) 4.870 14.535 ( 0.094 0.094 0.000) 0.133 14.577 ( -2.041 -2.041 0.000) 2.887 14.768 ( -4.001 -4.001 0.000) 5.658 14.786 ( -5.982 -5.982 0.000) 8.460 16.181 ( 3.458 3.458 0.000) 4.890 16.217 ( 2.435 2.435 0.000) 3.443 16.291 ( 1.278 1.278 0.000) 1.807 16.302 ( -0.681 -0.681 0.000) 0.963 16.500 ( 2.513 2.513 0.000) 3.554 16.585 ( -0.831 -0.831 0.000) 1.176 16.744 ( 1.802 1.802 0.000) 2.549 16.833 ( -2.420 -2.420 0.000) 3.422 17.541 ( -0.142 -0.142 0.000) 0.200 17.768 ( -9.150 -9.150 0.000) 12.940 18.641 ( 4.621 4.621 0.000) 6.536 18.643 ( 4.561 4.561 0.000) 6.450 22.437 ( -0.035 -0.035 0.000) 0.049 22.481 ( -2.162 -2.162 0.000) 3.057 22.981 ( 2.999 2.999 0.000) 4.242 23.054 ( -0.597 -0.597 0.000) 0.844 24.781 ( 0.314 0.314 0.000) 0.444 24.879 ( -4.786 -4.786 0.000) 6.769 27.205 ( 1.804 1.804 0.000) 2.551 27.220 ( 0.917 0.917 0.000) 1.297 ======================= Grid point 31 (14/90) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 2.760 ( -14.986 1.731 0.000) 15.085 2.760 ( 14.986 1.731 0.000) 15.085 3.116 ( -12.878 4.441 0.000) 13.622 3.116 ( 12.878 4.441 0.000) 13.622 4.348 ( -5.334 9.375 0.000) 10.786 4.348 ( 5.334 9.375 0.000) 10.786 5.873 ( -0.453 -17.809 0.000) 17.815 5.873 ( 0.453 -17.809 0.000) 17.815 6.935 ( -4.457 -9.555 0.000) 10.543 6.935 ( 4.457 -9.555 0.000) 10.543 8.204 ( -1.709 -0.189 0.000) 1.720 8.204 ( 1.709 -0.189 0.000) 1.720 8.301 ( -2.576 2.043 0.000) 3.288 8.301 ( 2.576 2.043 0.000) 3.288 9.344 ( -3.802 2.039 0.000) 4.315 9.344 ( 3.802 2.039 0.000) 4.315 9.460 ( -6.276 -2.199 0.000) 6.650 9.460 ( 6.276 -2.199 0.000) 6.650 9.679 ( -5.536 5.076 0.000) 7.511 9.679 ( 5.536 5.076 0.000) 7.511 10.427 ( -1.479 5.170 0.000) 5.378 10.427 ( 1.479 5.170 0.000) 5.378 10.696 ( -6.966 5.686 0.000) 8.992 10.696 ( 6.966 5.686 0.000) 8.992 11.317 ( -4.840 7.654 0.000) 9.056 11.317 ( 4.840 7.654 0.000) 9.056 11.354 ( -4.780 -3.294 0.000) 5.805 11.354 ( 4.780 -3.294 0.000) 5.805 11.615 ( -3.354 -5.521 0.000) 6.460 11.615 ( 3.354 -5.521 0.000) 6.460 12.310 ( -3.744 3.370 0.000) 5.037 12.310 ( 3.744 3.370 0.000) 5.037 12.436 ( -4.494 0.707 0.000) 4.549 12.436 ( 4.494 0.707 0.000) 4.549 12.793 ( -6.720 -6.507 0.000) 9.354 12.793 ( 6.720 -6.507 0.000) 9.354 13.851 ( -7.923 10.487 0.000) 13.143 13.851 ( 7.923 10.487 0.000) 13.143 13.973 ( -4.821 -0.717 0.000) 4.875 13.973 ( 4.821 -0.717 0.000) 4.875 14.310 ( -0.671 -6.648 0.000) 6.682 14.310 ( 0.671 -6.648 0.000) 6.682 14.551 ( -1.072 -2.138 0.000) 2.391 14.551 ( 1.072 -2.138 0.000) 2.391 14.722 ( -0.117 -4.690 0.000) 4.691 14.722 ( 0.117 -4.690 0.000) 4.691 16.229 ( -1.129 3.163 0.000) 3.359 16.229 ( 1.129 3.163 0.000) 3.359 16.300 ( -0.161 -1.205 0.000) 1.216 16.300 ( 0.161 -1.205 0.000) 1.216 16.548 ( -2.475 2.139 0.000) 3.271 16.548 ( 2.475 2.139 0.000) 3.271 16.787 ( -2.408 -1.948 0.000) 3.097 16.787 ( 2.408 -1.948 0.000) 3.097 17.610 ( -6.822 -3.854 0.000) 7.835 17.610 ( 6.822 -3.854 0.000) 7.835 18.686 ( -0.047 4.819 0.000) 4.820 18.686 ( 0.047 4.819 0.000) 4.820 22.448 ( -1.212 -1.290 0.000) 1.770 22.448 ( 1.212 -1.290 0.000) 1.770 23.029 ( -1.993 1.460 0.000) 2.471 23.029 ( 1.993 1.460 0.000) 2.471 24.808 ( -2.639 -2.219 0.000) 3.448 24.808 ( 2.639 -2.219 0.000) 3.448 27.226 ( -0.385 1.312 0.000) 1.367 27.226 ( 0.385 1.312 0.000) 1.367 ======================= Grid point 44 (15/90) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 2.781 ( 0.000 0.000 0.000) 0.000 2.781 ( 0.000 0.000 0.000) 0.000 3.162 ( 0.000 0.000 0.000) 0.000 3.162 ( 0.000 0.000 0.000) 0.000 4.441 ( 0.000 0.000 0.000) 0.000 4.441 ( 0.000 0.000 0.000) 0.000 5.697 ( 0.000 0.000 0.000) 0.000 5.697 ( 0.000 0.000 0.000) 0.000 6.841 ( 0.000 0.000 0.000) 0.000 6.841 ( 0.000 0.000 0.000) 0.000 8.197 ( 0.000 0.000 0.000) 0.000 8.197 ( 0.000 0.000 0.000) 0.000 8.322 ( 0.000 0.000 0.000) 0.000 8.322 ( 0.000 0.000 0.000) 0.000 9.388 ( -0.000 -0.000 0.000) 0.000 9.388 ( -0.000 -0.000 0.000) 0.000 9.408 ( 0.000 0.000 0.000) 0.000 9.408 ( 0.000 0.000 0.000) 0.000 9.733 ( -0.000 -0.000 0.000) 0.000 9.733 ( 0.000 0.000 0.000) 0.000 10.469 ( 0.000 0.000 0.000) 0.000 10.469 ( 0.000 0.000 0.000) 0.000 10.778 ( 0.000 0.000 0.000) 0.000 10.778 ( 0.000 0.000 0.000) 0.000 11.282 ( -0.000 -0.000 0.000) 0.000 11.282 ( 0.000 0.000 0.000) 0.000 11.454 ( 0.000 0.000 0.000) 0.000 11.454 ( 0.000 0.000 0.000) 0.000 11.525 ( -0.000 -0.000 0.000) 0.000 11.525 ( 0.000 0.000 0.000) 0.000 12.381 ( 0.000 0.000 0.000) 0.000 12.381 ( 0.000 0.000 0.000) 0.000 12.414 ( -0.000 -0.000 0.000) 0.000 12.414 ( 0.000 0.000 0.000) 0.000 12.719 ( 0.000 0.000 0.000) 0.000 12.719 ( 0.000 0.000 0.000) 0.000 13.969 ( 0.000 0.000 0.000) 0.000 13.969 ( 0.000 0.000 0.000) 0.000 13.973 ( 0.000 0.000 0.000) 0.000 13.973 ( 0.000 0.000 0.000) 0.000 14.225 ( -0.000 -0.000 0.000) 0.000 14.225 ( 0.000 0.000 0.000) 0.000 14.534 ( 0.000 0.000 0.000) 0.000 14.534 ( 0.000 0.000 0.000) 0.000 14.669 ( -0.000 -0.000 0.000) 0.000 14.669 ( 0.000 0.000 0.000) 0.000 16.262 ( 0.000 0.000 0.000) 0.000 16.262 ( 0.000 0.000 0.000) 0.000 16.287 ( 0.000 0.000 0.000) 0.000 16.287 ( 0.000 0.000 0.000) 0.000 16.569 ( 0.000 0.000 0.000) 0.000 16.569 ( 0.000 0.000 0.000) 0.000 16.766 ( 0.000 0.000 0.000) 0.000 16.766 ( 0.000 0.000 0.000) 0.000 17.573 ( 0.000 0.000 0.000) 0.000 17.573 ( 0.000 0.000 0.000) 0.000 18.732 ( 0.000 0.000 0.000) 0.000 18.732 ( 0.000 0.000 0.000) 0.000 22.436 ( 0.000 0.000 0.000) 0.000 22.436 ( 0.000 0.000 0.000) 0.000 23.043 ( 0.000 0.000 0.000) 0.000 23.043 ( 0.000 0.000 0.000) 0.000 24.786 ( 0.000 0.000 0.000) 0.000 24.786 ( 0.000 0.000 0.000) 0.000 27.239 ( 0.000 0.000 0.000) 0.000 27.239 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 81 (16/90) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 0.801 ( -0.000 0.000 38.612) 38.612 0.801 ( 0.000 0.000 38.612) 38.612 1.232 ( 0.000 0.000 57.734) 57.734 4.083 ( 0.000 0.000 -1.288) 1.288 4.083 ( -0.000 0.000 -1.288) 1.288 4.112 ( 0.000 0.000 -1.204) 1.204 7.185 ( -0.000 -0.000 -4.483) 4.483 7.185 ( 0.000 0.000 -4.483) 4.483 7.915 ( 0.000 0.000 -15.349) 15.349 7.915 ( 0.000 0.000 -15.349) 15.349 7.921 ( 0.000 0.000 10.262) 10.262 8.230 ( 0.000 0.000 1.966) 1.966 8.230 ( -0.000 -0.000 1.966) 1.966 8.246 ( -0.000 -0.000 14.513) 14.513 8.554 ( 0.000 0.000 28.864) 28.864 8.888 ( -0.000 -0.000 2.978) 2.978 9.111 ( 0.000 0.000 1.732) 1.732 9.324 ( 0.000 0.000 6.920) 6.920 9.324 ( -0.000 0.000 6.920) 6.920 10.196 ( -0.000 -0.000 -17.256) 17.256 10.287 ( 0.000 0.000 13.110) 13.110 10.287 ( 0.000 0.000 13.110) 13.110 10.922 ( 0.000 0.000 -2.644) 2.644 10.943 ( 0.000 -0.000 4.631) 4.631 11.306 ( 0.000 0.000 -3.374) 3.374 11.306 ( -0.000 0.000 -3.374) 3.374 11.469 ( 0.000 0.000 3.978) 3.978 11.469 ( 0.000 0.000 3.978) 3.978 11.727 ( 0.000 0.000 23.716) 23.716 11.733 ( -0.000 -0.000 2.560) 2.560 11.957 ( 0.000 0.000 4.375) 4.375 12.056 ( 0.000 0.000 -5.197) 5.197 12.376 ( 0.000 0.000 -6.248) 6.248 12.376 ( 0.000 0.000 -6.248) 6.248 12.694 ( 0.000 0.000 2.322) 2.322 13.108 ( 0.000 0.000 -8.138) 8.138 13.317 ( 0.000 0.000 -13.378) 13.378 13.830 ( 0.000 0.000 2.345) 2.345 13.830 ( 0.000 0.000 2.345) 2.345 13.842 ( -0.000 0.000 2.614) 2.614 14.425 ( 0.000 0.000 -7.450) 7.450 14.425 ( 0.000 0.000 -7.450) 7.450 14.775 ( -0.000 -0.000 2.250) 2.250 14.775 ( 0.000 0.000 2.250) 2.250 15.004 ( 0.000 0.000 -6.458) 6.458 15.083 ( -0.000 0.000 -6.710) 6.710 15.443 ( 0.000 0.000 5.684) 5.684 15.443 ( -0.000 -0.000 5.684) 5.684 15.487 ( 0.000 0.000 1.967) 1.967 16.160 ( 0.000 0.000 -2.520) 2.520 16.178 ( 0.000 0.000 -16.911) 16.911 16.527 ( -0.000 0.000 -6.514) 6.514 16.931 ( 0.000 0.000 3.345) 3.345 18.026 ( 0.000 0.000 -2.948) 2.948 18.026 ( -0.000 -0.000 -2.948) 2.948 18.089 ( 0.000 0.000 0.090) 0.090 18.089 ( 0.000 0.000 0.090) 0.090 18.765 ( -0.000 0.000 -3.774) 3.774 22.415 ( 0.000 0.000 -1.346) 1.346 22.415 ( 0.000 0.000 -1.346) 1.346 22.679 ( -0.000 0.000 -0.693) 0.693 22.679 ( -0.000 0.000 -0.693) 0.693 23.234 ( 0.000 0.000 8.597) 8.597 26.300 ( -0.000 -0.000 -13.510) 13.510 26.987 ( 0.000 0.000 6.701) 6.701 27.128 ( 0.000 0.000 -0.204) 0.204 ======================= Grid point 82 (17/90) ======================= q-point: ( 0.12 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.103 ( 26.839 0.000 27.412) 38.363 1.119 ( 28.484 0.000 26.255) 38.739 1.683 ( 40.669 0.000 39.953) 57.011 3.988 ( -8.279 0.000 -3.945) 9.171 3.992 ( -9.437 0.000 -0.972) 9.487 4.153 ( 2.319 0.000 2.369) 3.315 7.186 ( 0.065 0.000 -4.098) 4.098 7.326 ( 7.981 0.000 -13.138) 15.372 7.777 ( -9.947 0.000 0.199) 9.949 7.850 ( -5.820 0.000 -8.661) 10.435 7.930 ( -2.583 0.000 -3.416) 4.283 8.201 ( -3.721 0.000 13.944) 14.432 8.241 ( 0.475 0.000 3.961) 3.989 8.302 ( 5.493 0.000 6.651) 8.626 8.622 ( 6.533 0.000 21.373) 22.349 8.935 ( 5.009 0.000 1.219) 5.156 8.942 ( -9.574 0.000 2.392) 9.869 9.312 ( -0.663 0.000 5.213) 5.255 9.462 ( 9.238 0.000 9.192) 13.032 10.139 ( -5.479 0.000 2.224) 5.913 10.300 ( 0.998 0.000 12.797) 12.835 10.346 ( 5.506 0.000 -12.019) 13.221 10.828 ( -9.334 0.000 -0.186) 9.336 11.018 ( 6.783 0.000 4.397) 8.083 11.156 ( -16.038 0.000 2.192) 16.187 11.309 ( -14.990 0.000 6.506) 16.341 11.384 ( -0.211 0.000 12.258) 12.260 11.421 ( 6.973 0.000 -2.953) 7.573 11.539 ( -9.822 0.000 9.312) 13.534 11.874 ( 11.308 0.000 17.144) 20.538 11.900 ( 9.016 0.000 -0.125) 9.017 12.028 ( -1.819 0.000 -5.188) 5.498 12.347 ( -2.779 0.000 -6.181) 6.777 12.439 ( 0.876 0.000 -1.221) 1.503 12.708 ( 1.849 0.000 2.406) 3.035 13.125 ( 1.612 0.000 -7.132) 7.312 13.289 ( -2.862 0.000 -12.986) 13.298 13.796 ( -0.276 0.000 -1.287) 1.316 13.801 ( -3.191 0.000 2.592) 4.111 14.341 ( 10.937 0.000 -6.617) 12.783 14.398 ( -2.581 0.000 -8.327) 8.718 14.578 ( 3.514 0.000 -12.276) 12.769 14.768 ( -0.819 0.000 1.077) 1.352 14.951 ( -10.145 0.000 2.855) 10.539 14.968 ( 0.682 0.000 -5.715) 5.755 15.070 ( 31.964 0.000 -21.378) 38.454 15.342 ( -6.301 0.000 -4.281) 7.618 15.544 ( 9.581 0.000 2.573) 9.920 15.707 ( 15.102 0.000 4.037) 15.632 16.186 ( 2.692 0.000 -2.437) 3.631 16.210 ( 3.307 0.000 -16.133) 16.468 16.516 ( -1.134 0.000 -6.212) 6.315 16.922 ( -1.206 0.000 2.246) 2.550 17.503 ( -33.724 0.000 24.189) 41.502 18.015 ( -1.171 0.000 -2.916) 3.143 18.074 ( -1.555 0.000 -0.059) 1.556 18.083 ( 1.091 0.000 -0.008) 1.091 18.608 ( -6.573 0.000 1.399) 6.720 22.424 ( 0.898 0.000 -1.324) 1.600 22.668 ( -1.197 0.000 -0.722) 1.397 22.686 ( 2.662 0.000 -1.837) 3.235 23.198 ( -0.155 0.000 4.922) 4.924 23.477 ( 55.335 0.000 -45.511) 71.646 25.954 ( -26.416 0.000 3.739) 26.679 27.001 ( 1.984 0.000 5.428) 5.779 27.134 ( 0.583 0.000 -0.359) 0.685 ======================= Grid point 83 (18/90) ======================= q-point: ( 0.25 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.685 ( 33.106 0.000 15.437) 36.528 1.722 ( 33.417 0.000 14.514) 36.433 2.524 ( 44.821 0.000 23.276) 50.505 3.739 ( -17.050 0.000 -0.067) 17.050 3.765 ( -15.532 0.000 -3.461) 15.913 4.178 ( -0.449 0.000 4.671) 4.692 7.187 ( 0.008 0.000 -2.659) 2.659 7.431 ( 3.716 0.000 -11.223) 11.822 7.571 ( -11.130 0.000 2.807) 11.479 7.757 ( -3.105 0.000 -2.283) 3.854 7.865 ( -3.005 0.000 -1.133) 3.212 8.117 ( -4.801 0.000 16.881) 17.550 8.211 ( -4.282 0.000 6.525) 7.805 8.359 ( -0.969 0.000 8.635) 8.689 8.761 ( 7.742 0.000 9.747) 12.447 8.865 ( 1.938 0.000 3.053) 3.616 9.079 ( 10.260 0.000 -2.724) 10.616 9.326 ( 2.634 0.000 0.902) 2.784 9.626 ( 8.015 0.000 12.076) 14.494 10.016 ( -7.052 0.000 6.340) 9.483 10.321 ( 1.189 0.000 12.718) 12.773 10.399 ( -5.292 0.000 -22.715) 23.324 10.672 ( -1.560 0.000 6.239) 6.431 10.816 ( -19.074 0.000 2.307) 19.213 10.975 ( -17.283 0.000 10.853) 20.408 11.109 ( 0.985 0.000 0.941) 1.362 11.433 ( 8.128 0.000 12.258) 14.708 11.513 ( 1.853 0.000 -0.254) 1.871 11.638 ( 12.394 0.000 2.451) 12.634 11.901 ( -5.678 0.000 -6.710) 8.790 12.078 ( 9.380 0.000 13.116) 16.124 12.111 ( 7.359 0.000 -2.319) 7.715 12.288 ( -2.944 0.000 -5.944) 6.633 12.423 ( -2.222 0.000 -1.094) 2.477 12.771 ( 4.727 0.000 2.816) 5.502 13.163 ( 2.461 0.000 -4.163) 4.836 13.216 ( -4.628 0.000 -10.955) 11.892 13.705 ( -7.000 0.000 2.801) 7.539 13.824 ( 3.514 0.000 -2.435) 4.275 14.353 ( -1.382 0.000 -8.705) 8.814 14.401 ( -3.938 0.000 -5.558) 6.812 14.609 ( 4.545 0.000 -1.457) 4.773 14.714 ( -6.575 0.000 0.026) 6.575 14.809 ( -2.586 0.000 8.257) 8.653 14.932 ( -2.298 0.000 -2.523) 3.412 15.197 ( -8.914 0.000 -6.119) 10.812 15.590 ( 19.941 0.000 -20.412) 28.536 15.754 ( 11.414 0.000 -3.568) 11.959 15.987 ( 13.800 0.000 1.180) 13.850 16.251 ( 3.802 0.000 -2.219) 4.402 16.287 ( 3.977 0.000 -13.937) 14.493 16.489 ( -1.535 0.000 -5.085) 5.312 16.864 ( -5.404 0.000 1.315) 5.562 17.083 ( -11.721 0.000 16.684) 20.390 17.986 ( -1.752 0.000 -2.732) 3.246 18.035 ( -2.471 0.000 -0.532) 2.527 18.116 ( 2.335 0.000 0.299) 2.354 18.495 ( -6.162 0.000 0.363) 6.173 22.449 ( 1.729 0.000 -1.261) 2.140 22.635 ( -2.152 0.000 -0.801) 2.296 22.752 ( 4.265 0.000 -0.186) 4.269 23.143 ( -4.121 0.000 6.784) 7.937 24.204 ( 25.184 0.000 -34.769) 42.932 25.498 ( -21.390 0.000 4.761) 21.914 27.054 ( 3.255 0.000 2.670) 4.210 27.147 ( 0.771 0.000 -0.449) 0.892 ======================= Grid point 84 (19/90) ======================= q-point: ( 0.38 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 2.312 ( 32.781 0.000 7.976) 33.737 2.338 ( 31.293 0.000 7.929) 32.282 3.279 ( 28.661 0.000 13.401) 31.639 3.362 ( -22.651 0.000 1.466) 22.698 3.413 ( -16.482 0.000 0.070) 16.482 4.103 ( -8.400 0.000 6.625) 10.698 7.193 ( 1.108 0.000 -0.070) 1.110 7.378 ( -8.943 0.000 3.871) 9.745 7.494 ( 3.834 0.000 -5.952) 7.080 7.705 ( -4.184 0.000 -1.898) 4.595 7.852 ( 2.094 0.000 1.681) 2.686 8.065 ( 0.953 0.000 15.785) 15.814 8.088 ( -8.011 0.000 6.750) 10.476 8.281 ( -6.188 0.000 10.690) 12.352 8.902 ( 6.396 0.000 6.779) 9.320 8.948 ( 4.648 0.000 3.627) 5.895 9.304 ( 12.386 0.000 -7.149) 14.301 9.404 ( 4.922 0.000 -3.616) 6.108 9.785 ( 9.999 0.000 12.236) 15.802 9.893 ( -5.041 0.000 6.408) 8.153 10.156 ( -15.891 0.000 -7.724) 17.669 10.312 ( -6.662 0.000 12.229) 13.926 10.493 ( -9.949 0.000 3.471) 10.537 10.691 ( -12.425 0.000 9.399) 15.579 10.775 ( 8.499 0.000 -3.346) 9.134 11.062 ( -5.083 0.000 -2.475) 5.653 11.567 ( 3.837 0.000 -2.156) 4.401 11.636 ( 11.478 0.000 10.788) 15.752 11.778 ( -6.828 0.000 -5.966) 9.067 11.823 ( 5.464 0.000 5.645) 7.856 12.194 ( 3.081 0.000 4.856) 5.751 12.227 ( 4.938 0.000 -4.029) 6.373 12.267 ( 0.740 0.000 -1.563) 1.730 12.369 ( -3.207 0.000 -3.268) 4.578 12.877 ( 6.279 0.000 1.410) 6.435 13.117 ( -5.840 0.000 -6.985) 9.105 13.228 ( 5.012 0.000 0.072) 5.012 13.545 ( -9.602 0.000 2.893) 10.028 13.929 ( 7.428 0.000 -3.343) 8.146 14.266 ( -8.908 0.000 -4.515) 9.987 14.363 ( 2.542 0.000 -6.284) 6.778 14.570 ( -7.479 0.000 2.371) 7.846 14.719 ( 5.928 0.000 -0.377) 5.939 14.814 ( 2.109 0.000 2.972) 3.645 14.884 ( -2.937 0.000 -1.181) 3.165 15.025 ( -8.727 0.000 -4.713) 9.918 15.881 ( 11.708 0.000 -10.363) 15.636 15.939 ( 7.623 0.000 -7.015) 10.359 16.204 ( 8.798 0.000 -0.562) 8.816 16.312 ( 2.114 0.000 -1.906) 2.846 16.324 ( 0.065 0.000 -10.334) 10.334 16.441 ( -4.569 0.000 -2.965) 5.447 16.793 ( 0.466 0.000 -0.678) 0.823 16.956 ( -4.686 0.000 4.572) 6.547 17.958 ( -0.987 0.000 -2.351) 2.550 17.988 ( -2.308 0.000 -1.206) 2.604 18.173 ( 3.771 0.000 0.675) 3.831 18.374 ( -6.484 0.000 0.490) 6.503 22.488 ( 2.394 0.000 -1.163) 2.661 22.589 ( -2.693 0.000 -0.915) 2.844 22.843 ( 5.328 0.000 1.726) 5.601 23.053 ( -5.301 0.000 5.547) 7.673 24.567 ( 15.586 0.000 -19.368) 24.860 25.139 ( -17.026 0.000 -1.526) 17.094 27.111 ( 2.619 0.000 0.691) 2.708 27.157 ( 0.124 0.000 -0.444) 0.462 ======================= Grid point 85 (20/90) ======================= q-point: (-0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 2.891 ( -27.245 0.000 3.940) 27.529 2.891 ( 27.245 0.000 3.940) 27.529 2.900 ( -29.076 0.000 2.972) 29.227 2.900 ( 29.076 0.000 2.972) 29.227 3.831 ( -21.095 0.000 9.320) 23.062 3.831 ( 21.095 0.000 9.320) 23.062 7.246 ( -4.848 0.000 2.631) 5.516 7.246 ( 4.848 0.000 2.631) 5.516 7.593 ( -6.485 0.000 -2.419) 6.921 7.593 ( 6.485 0.000 -2.419) 6.921 7.941 ( -6.857 0.000 4.582) 8.247 7.941 ( 6.857 0.000 4.582) 8.247 8.152 ( -6.862 0.000 12.772) 14.499 8.152 ( 6.862 0.000 12.772) 14.499 8.981 ( -1.581 0.000 5.594) 5.813 8.981 ( 1.581 0.000 5.594) 5.813 9.459 ( -1.602 0.000 -8.345) 8.497 9.459 ( 1.602 0.000 -8.345) 8.497 9.902 ( -8.268 0.000 2.662) 8.686 9.902 ( 8.268 0.000 2.662) 8.686 10.034 ( -16.246 0.000 9.671) 18.906 10.034 ( 16.246 0.000 9.671) 18.906 10.512 ( -6.583 0.000 8.295) 10.590 10.512 ( 6.583 0.000 8.295) 10.590 10.936 ( -7.999 0.000 -4.134) 9.004 10.936 ( 7.999 0.000 -4.134) 9.004 11.657 ( -5.757 0.000 -3.989) 7.004 11.657 ( 5.757 0.000 -3.989) 7.004 11.812 ( -6.012 0.000 8.431) 10.355 11.812 ( 6.012 0.000 8.431) 10.355 12.252 ( -2.793 0.000 0.453) 2.830 12.252 ( 2.793 0.000 0.453) 2.830 12.305 ( -3.607 0.000 -4.493) 5.761 12.305 ( 3.607 0.000 -4.493) 5.761 12.999 ( -6.518 0.000 -2.330) 6.922 12.999 ( 6.518 0.000 -2.330) 6.922 13.363 ( -9.002 0.000 2.746) 9.411 13.363 ( 9.002 0.000 2.746) 9.411 14.091 ( -9.336 0.000 -3.922) 10.127 14.091 ( 9.336 0.000 -3.922) 10.127 14.444 ( -5.755 0.000 -1.704) 6.002 14.444 ( 5.755 0.000 -1.704) 6.002 14.817 ( -4.334 0.000 -0.530) 4.366 14.817 ( 4.334 0.000 -0.530) 4.366 14.886 ( -5.678 0.000 -1.111) 5.786 14.886 ( 5.678 0.000 -1.111) 5.786 16.012 ( -1.144 0.000 -7.307) 7.396 16.012 ( 1.144 0.000 -7.307) 7.396 16.311 ( -2.609 0.000 -1.445) 2.982 16.311 ( 2.609 0.000 -1.445) 2.982 16.344 ( -3.662 0.000 -5.893) 6.938 16.344 ( 3.662 0.000 -5.893) 6.938 16.862 ( -5.181 0.000 -0.517) 5.207 16.862 ( 5.181 0.000 -0.517) 5.207 17.956 ( -0.870 0.000 -1.841) 2.036 17.956 ( 0.870 0.000 -1.841) 2.036 18.260 ( -5.443 0.000 0.751) 5.495 18.260 ( 5.443 0.000 0.751) 5.495 22.537 ( -2.757 0.000 -1.042) 2.947 22.537 ( 2.757 0.000 -1.042) 2.947 22.948 ( -5.673 0.000 3.757) 6.804 22.948 ( 5.673 0.000 3.757) 6.804 24.844 ( -14.649 0.000 -9.165) 17.280 24.844 ( 14.649 0.000 -9.165) 17.280 27.148 ( -1.206 0.000 -0.219) 1.226 27.148 ( 1.206 0.000 -0.219) 1.226 ======================= Grid point 91 (21/90) ======================= q-point: ( 0.12 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.199 ( 17.390 17.390 25.625) 35.517 1.380 ( 21.547 21.547 24.099) 38.849 2.081 ( 34.861 34.861 27.252) 56.332 3.847 ( -9.629 -9.629 -4.765) 14.426 4.056 ( -5.088 -5.088 4.229) 8.346 4.105 ( 1.302 1.302 -0.858) 2.032 7.196 ( -3.310 -3.310 -0.460) 4.703 7.223 ( -5.907 -5.907 -13.385) 15.777 7.756 ( -8.552 -8.552 11.303) 16.554 7.790 ( -2.538 -2.538 -14.254) 14.699 7.875 ( -0.783 -0.783 -4.369) 4.507 8.099 ( -5.231 -5.231 13.696) 15.566 8.302 ( 2.734 2.734 10.734) 11.409 8.473 ( 12.054 12.054 1.377) 17.103 8.676 ( 3.072 3.072 14.165) 14.816 8.766 ( -4.636 -4.636 6.911) 9.526 9.085 ( 5.817 5.817 -2.106) 8.492 9.274 ( -1.771 -1.771 3.722) 4.486 9.553 ( 7.645 7.645 10.604) 15.144 10.084 ( -4.946 -4.946 5.331) 8.794 10.325 ( 1.729 1.729 12.056) 12.302 10.387 ( 2.876 2.876 -20.091) 20.498 10.666 ( -12.718 -12.718 6.002) 18.960 11.044 ( 4.154 4.154 3.202) 6.690 11.173 ( -9.546 -9.546 10.619) 17.176 11.247 ( -4.186 -4.186 6.855) 9.058 11.338 ( -4.121 -4.121 1.696) 6.070 11.396 ( 4.769 4.769 -1.962) 7.025 11.599 ( 2.129 2.129 4.492) 5.408 11.774 ( 1.994 1.994 13.507) 13.798 11.996 ( -1.165 -1.165 -5.298) 5.548 12.091 ( 9.902 9.902 4.001) 14.563 12.385 ( 0.347 0.347 -2.414) 2.463 12.400 ( -1.663 -1.663 -2.495) 3.428 12.709 ( 0.522 0.522 2.180) 2.302 13.140 ( 1.453 1.453 -6.425) 6.746 13.267 ( -1.930 -1.930 -12.341) 12.639 13.774 ( -1.099 -1.099 -2.443) 2.895 13.840 ( 0.450 0.450 1.747) 1.859 14.313 ( 1.094 1.094 -5.156) 5.383 14.395 ( -1.569 -1.569 -7.789) 8.099 14.635 ( 0.370 0.370 -6.793) 6.813 14.730 ( -1.705 -1.705 4.456) 5.067 14.859 ( -7.276 -7.276 5.228) 11.542 14.957 ( -2.060 -2.060 -4.311) 5.204 15.272 ( -1.755 -1.755 -10.172) 10.471 15.327 ( 16.524 16.524 -21.782) 31.946 15.651 ( 9.423 9.423 -0.003) 13.327 15.824 ( 10.694 10.694 2.663) 15.356 16.195 ( 1.408 1.408 -6.578) 6.872 16.247 ( 3.281 3.281 -11.216) 12.137 16.511 ( -0.392 -0.392 -6.074) 6.100 16.917 ( -0.716 -0.716 1.414) 1.739 17.221 ( -19.717 -19.717 23.492) 36.461 17.929 ( -5.790 -5.790 -2.772) 8.645 18.147 ( 3.346 3.346 -2.478) 5.341 18.178 ( 5.199 5.199 0.270) 7.357 18.523 ( -6.119 -6.119 2.215) 8.933 22.426 ( 0.528 0.528 -0.616) 0.969 22.654 ( -1.269 -1.269 -0.147) 1.800 22.713 ( 2.588 2.588 -1.630) 4.007 23.208 ( -1.280 -1.280 7.891) 8.096 23.833 ( 28.009 28.009 -46.678) 61.220 25.753 ( -17.559 -17.559 6.460) 25.659 27.020 ( 2.056 2.056 4.237) 5.139 27.136 ( 0.420 0.420 -0.691) 0.911 ======================= Grid point 92 (22/90) ======================= q-point: ( 0.25 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.681 ( 30.413 4.880 15.940) 34.683 1.877 ( 29.641 13.664 16.906) 36.757 2.800 ( 38.406 25.103 16.150) 48.642 3.614 ( -15.288 -8.321 -4.193) 17.904 3.838 ( -15.596 1.435 3.844) 16.127 4.161 ( 1.769 -0.631 2.172) 2.872 7.035 ( -8.833 -13.499 -3.312) 16.469 7.142 ( -6.785 -21.413 -4.376) 22.885 7.561 ( -8.461 -9.408 8.478) 15.231 7.803 ( 2.726 4.596 -6.353) 8.302 7.836 ( -4.922 -2.540 1.203) 5.668 8.040 ( 0.411 0.189 12.285) 12.294 8.318 ( -1.579 5.368 10.928) 12.278 8.509 ( -5.879 8.285 7.316) 12.519 8.808 ( 13.052 3.060 0.960) 13.440 8.847 ( 6.906 5.996 8.510) 12.493 9.177 ( 5.227 7.087 -1.991) 9.028 9.298 ( 4.295 -2.153 -2.110) 5.247 9.707 ( 8.053 7.801 11.509) 16.067 9.975 ( -6.076 -3.999 5.904) 9.368 10.266 ( -15.089 -13.250 -8.251) 21.710 10.360 ( 1.542 2.557 10.226) 10.653 10.587 ( 3.749 0.358 -5.209) 6.428 10.915 ( -13.531 -0.911 7.506) 15.500 11.070 ( -12.916 11.272 3.297) 17.457 11.102 ( -4.479 -0.680 1.502) 4.773 11.293 ( 7.341 -8.552 5.258) 12.437 11.580 ( 7.300 -5.183 -3.077) 9.467 11.652 ( 4.795 7.643 6.449) 11.090 11.854 ( 3.329 -1.507 6.537) 7.489 12.027 ( 5.130 -1.823 -0.251) 5.450 12.236 ( 5.184 7.569 1.286) 9.263 12.323 ( -3.308 2.669 -3.591) 5.565 12.405 ( -0.984 -1.116 -0.579) 1.597 12.749 ( 3.914 -2.129 2.137) 4.942 13.158 ( -0.984 -1.248 -6.861) 7.043 13.240 ( 0.426 3.153 -6.814) 7.520 13.746 ( -3.709 2.330 -0.882) 4.468 13.825 ( 0.749 1.237 -0.685) 1.600 14.323 ( -0.328 -2.433 -6.581) 7.024 14.363 ( -3.715 -3.384 -6.259) 8.027 14.612 ( 1.063 -0.540 -0.303) 1.231 14.712 ( -6.540 -1.147 4.173) 7.842 14.736 ( -0.225 -5.447 7.009) 8.880 14.914 ( -2.287 -2.075 -2.915) 4.247 15.142 ( -8.466 -5.257 -6.339) 11.811 15.667 ( 15.520 7.310 -18.096) 24.935 15.845 ( 9.889 8.409 -4.191) 13.641 16.043 ( 11.386 5.054 0.966) 12.494 16.241 ( 3.130 -0.689 -7.053) 7.747 16.314 ( 3.252 2.444 -8.377) 9.312 16.506 ( -0.246 1.870 -5.310) 5.635 16.853 ( -7.420 -1.697 3.764) 8.492 16.966 ( -5.152 -9.023 10.595) 14.840 17.829 ( -4.385 -10.509 -2.876) 11.745 18.119 ( -6.013 5.068 -3.535) 8.622 18.264 ( 4.271 9.507 0.334) 10.427 18.446 ( -1.974 -3.329 2.226) 4.465 22.445 ( 1.498 -0.133 -0.182) 1.515 22.622 ( -2.130 -1.329 0.145) 2.515 22.779 ( 4.266 2.706 -0.489) 5.076 23.157 ( -3.815 0.736 6.735) 7.775 24.282 ( 18.852 7.369 -31.610) 37.535 25.406 ( -17.988 -8.962 4.081) 20.507 27.070 ( 2.950 1.645 1.910) 3.881 27.149 ( 0.786 0.242 -1.029) 1.318 ======================= Grid point 93 (23/90) ======================= q-point: ( 0.38 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 2.266 ( 30.473 -0.114 7.812) 31.458 2.452 ( 30.394 8.493 11.254) 33.505 3.268 ( -20.817 -5.179 -1.519) 21.505 3.457 ( 22.045 14.906 9.664) 28.312 3.486 ( -14.023 4.395 4.881) 15.485 4.132 ( -5.739 3.348 4.093) 7.804 6.901 ( -4.577 -23.160 -0.206) 23.609 6.990 ( -8.029 -27.514 0.126) 28.662 7.476 ( -0.462 -11.396 6.136) 12.951 7.687 ( -9.126 -9.658 5.109) 14.236 7.898 ( 6.907 10.142 -0.399) 12.278 8.106 ( 4.255 9.190 7.456) 12.576 8.244 ( -4.845 8.124 10.420) 14.073 8.397 ( -5.940 6.955 10.026) 13.571 8.968 ( 5.952 6.332 3.556) 9.390 9.015 ( 7.164 8.007 1.525) 10.852 9.316 ( 9.005 1.900 -2.089) 9.438 9.398 ( 5.237 -0.476 -5.390) 7.530 9.792 ( -2.669 -1.044 5.664) 6.347 9.936 ( 2.559 1.460 5.496) 6.236 9.977 ( -9.378 -8.480 3.296) 13.066 10.378 ( -1.511 4.071 10.171) 11.059 10.565 ( -7.708 4.707 -5.260) 10.452 10.706 ( -10.078 1.393 6.955) 12.324 10.874 ( 0.089 8.440 0.312) 8.446 11.051 ( -3.584 0.048 -1.995) 4.102 11.434 ( 6.473 -9.394 -0.294) 11.412 11.606 ( -2.357 -6.797 -3.765) 8.120 11.776 ( 6.531 4.815 7.869) 11.303 11.909 ( 1.941 3.175 7.861) 8.698 12.149 ( 6.912 -2.338 0.259) 7.302 12.278 ( -0.041 2.719 -3.239) 4.229 12.297 ( 0.379 3.878 -1.118) 4.054 12.367 ( -2.782 0.147 -1.487) 3.158 12.848 ( 6.249 -2.945 1.004) 6.980 13.088 ( -5.437 -2.615 -6.060) 8.551 13.304 ( 5.768 7.217 0.010) 9.239 13.619 ( -8.684 7.141 1.627) 11.360 13.903 ( 6.666 -2.397 -3.307) 7.818 14.231 ( -8.968 -3.340 -4.032) 10.384 14.345 ( 3.089 -1.935 -5.274) 6.411 14.569 ( -7.492 -0.564 3.658) 8.356 14.685 ( 4.928 -4.166 0.022) 6.453 14.759 ( 1.802 -4.187 2.917) 5.412 14.870 ( -2.309 -1.836 -1.384) 3.258 14.980 ( -8.037 -4.153 -4.151) 9.954 15.912 ( 10.541 3.309 -10.055) 14.939 15.995 ( 5.756 5.436 -6.437) 10.204 16.225 ( 7.227 1.526 -0.688) 7.418 16.288 ( 1.245 -1.824 -7.444) 7.765 16.358 ( 1.753 2.788 -4.371) 5.473 16.468 ( -4.553 3.019 -2.729) 6.107 16.775 ( 1.091 -2.013 -0.399) 2.324 16.911 ( -2.767 -3.844 1.967) 5.128 17.781 ( -0.240 -12.494 -2.934) 12.836 17.971 ( -8.563 -2.897 -3.345) 9.639 18.336 ( 3.284 11.173 0.607) 11.661 18.421 ( -1.326 5.126 1.530) 5.512 22.481 ( 2.205 -0.621 -0.004) 2.291 22.577 ( -2.606 -1.231 0.170) 2.887 22.869 ( 5.226 2.613 1.336) 5.994 23.072 ( -5.042 1.671 5.228) 7.453 24.576 ( 13.507 1.006 -18.172) 22.664 25.091 ( -15.353 -4.807 -1.789) 16.187 27.122 ( 2.334 1.082 0.044) 2.573 27.160 ( 0.254 0.340 -1.100) 1.179 ======================= Grid point 94 (24/90) ======================= q-point: (-0.50 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 2.797 ( -23.163 -3.081 2.962) 23.554 2.797 ( 23.163 -3.081 2.962) 23.554 3.023 ( -24.023 6.071 6.584) 25.638 3.023 ( 24.023 6.071 6.584) 25.638 3.916 ( -17.675 8.697 6.232) 20.661 3.916 ( 17.675 8.697 6.232) 20.661 6.882 ( -2.662 -27.873 1.529) 28.041 6.882 ( 2.662 -27.873 1.529) 28.041 7.535 ( -6.249 -11.709 5.246) 14.271 7.535 ( 6.249 -11.709 5.246) 14.271 8.048 ( -8.151 11.804 3.729) 14.821 8.048 ( 8.151 11.804 3.729) 14.821 8.279 ( -6.367 8.151 10.896) 15.023 8.279 ( 6.367 8.151 10.896) 15.023 9.056 ( -2.360 7.538 2.312) 8.231 9.056 ( 2.360 7.538 2.312) 8.231 9.446 ( -2.156 -1.020 -5.985) 6.442 9.446 ( 2.156 -1.020 -5.985) 6.442 9.766 ( -4.419 -7.629 5.858) 10.585 9.766 ( 4.419 -7.629 5.858) 10.585 10.188 ( -15.030 9.243 4.373) 18.178 10.188 ( 15.030 9.243 4.373) 18.178 10.547 ( -5.374 3.702 6.975) 9.551 10.547 ( 5.374 3.702 6.975) 9.551 10.961 ( -5.736 2.723 -3.939) 7.472 10.961 ( 5.736 2.723 -3.939) 7.472 11.535 ( -4.581 -8.910 -3.306) 10.550 11.535 ( 4.581 -8.910 -3.306) 10.550 11.885 ( -4.333 3.735 9.122) 10.767 11.885 ( 4.333 3.735 9.122) 10.767 12.266 ( -3.844 0.863 -0.461) 3.967 12.266 ( 3.844 0.863 -0.461) 3.967 12.305 ( -2.299 1.165 -3.342) 4.221 12.305 ( 2.299 1.165 -3.342) 4.221 12.972 ( -6.615 -2.821 -2.217) 7.526 12.972 ( 6.615 -2.821 -2.217) 7.526 13.446 ( -8.976 8.222 2.179) 12.365 13.446 ( 8.976 8.222 2.179) 12.365 14.056 ( -9.132 -3.310 -3.661) 10.380 14.056 ( 9.132 -3.310 -3.661) 10.380 14.436 ( -6.276 -1.105 -1.191) 6.483 14.436 ( 6.276 -1.105 -1.191) 6.483 14.765 ( -2.725 -5.214 -0.387) 5.896 14.765 ( 2.725 -5.214 -0.387) 5.896 14.864 ( -3.430 -1.937 -0.530) 3.975 14.864 ( 3.430 -1.937 -0.530) 3.975 16.040 ( -2.011 2.897 -6.729) 7.597 16.040 ( 2.011 2.897 -6.729) 7.597 16.295 ( -0.828 -1.384 -4.076) 4.383 16.295 ( 0.828 -1.384 -4.076) 4.383 16.388 ( -2.225 3.944 -3.490) 5.717 16.388 ( 2.225 3.944 -3.490) 5.717 16.843 ( -4.372 -1.985 -1.203) 4.950 16.843 ( 4.372 -1.985 -1.203) 4.950 17.831 ( -5.492 -9.749 -3.083) 11.606 17.831 ( 5.492 -9.749 -3.083) 11.606 18.388 ( -2.213 10.012 1.018) 10.305 18.388 ( 2.213 10.012 1.018) 10.305 22.527 ( -2.612 -0.990 0.104) 2.795 22.527 ( 2.612 -0.990 0.104) 2.795 22.971 ( -5.475 2.265 3.368) 6.815 22.971 ( 5.475 2.265 3.368) 6.815 24.823 ( -13.277 -2.052 -8.864) 16.095 24.823 ( 13.277 -2.052 -8.864) 16.095 27.154 ( -0.999 0.633 -0.867) 1.467 27.154 ( 0.999 0.633 -0.867) 1.467 ======================= Grid point 101 (25/90) ======================= q-point: ( 0.25 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.917 ( 19.301 19.301 15.281) 31.282 2.216 ( 21.600 21.600 14.056) 33.625 3.329 ( 28.560 28.560 8.187) 41.212 3.427 ( -11.740 -11.740 -3.843) 17.041 3.758 ( -9.804 -9.804 8.516) 16.272 4.193 ( 3.368 3.368 -0.813) 4.832 6.738 ( -17.904 -17.904 2.027) 25.401 6.752 ( -17.464 -17.464 -4.176) 25.048 7.341 ( -10.252 -10.252 10.226) 17.742 7.671 ( -11.883 -11.883 7.303) 18.324 7.950 ( 8.437 8.437 -5.120) 12.984 8.129 ( 6.842 6.842 11.407) 14.958 8.379 ( 0.888 0.888 11.581) 11.649 8.523 ( -3.067 -3.067 9.515) 10.457 8.996 ( 12.294 12.294 4.129) 17.871 9.014 ( 9.430 9.430 2.726) 13.612 9.268 ( 2.435 2.435 -9.722) 10.314 9.321 ( 5.914 5.914 -1.170) 8.446 9.875 ( -6.295 -6.295 4.100) 9.801 9.888 ( 10.373 10.373 9.413) 17.430 9.977 ( -14.878 -14.878 -0.477) 21.046 10.422 ( 3.383 3.383 11.255) 12.230 10.648 ( 4.258 4.258 -13.183) 14.493 10.829 ( -7.296 -7.296 5.560) 11.721 11.083 ( -6.712 -6.712 4.666) 10.578 11.120 ( -1.199 -1.199 2.237) 2.807 11.249 ( 2.686 2.686 -2.302) 4.442 11.506 ( -0.728 -0.728 -6.311) 6.394 11.769 ( 4.591 4.591 8.878) 10.999 11.882 ( 3.745 3.745 14.080) 15.043 12.034 ( 2.836 2.836 -2.020) 4.491 12.328 ( 2.083 2.083 -0.737) 3.036 12.331 ( -1.183 -1.183 -3.965) 4.304 12.438 ( 3.026 3.026 1.561) 4.555 12.715 ( -0.236 -0.236 0.705) 0.780 13.113 ( -3.505 -3.505 -7.099) 8.658 13.334 ( 6.545 6.545 -2.091) 9.489 13.764 ( 0.886 0.886 -4.272) 4.452 13.863 ( 0.922 0.922 0.685) 1.473 14.260 ( -3.615 -3.615 -2.624) 5.746 14.315 ( -2.485 -2.485 -8.720) 9.402 14.549 ( -4.246 -4.246 5.810) 8.355 14.669 ( -3.043 -3.043 2.230) 4.847 14.681 ( -0.952 -0.952 7.663) 7.781 14.865 ( -2.702 -2.702 -3.702) 5.321 15.020 ( -7.164 -7.164 -5.157) 11.369 15.831 ( 9.400 9.400 -12.625) 18.333 16.014 ( 7.934 7.934 -7.350) 13.413 16.148 ( 5.776 5.776 2.067) 8.426 16.235 ( 0.216 0.216 -8.721) 8.726 16.367 ( 2.916 2.916 -4.845) 6.363 16.562 ( 3.605 3.605 -5.808) 7.729 16.748 ( -7.356 -7.356 8.805) 13.629 16.874 ( -1.685 -1.685 -1.579) 2.859 17.649 ( -7.818 -7.818 -3.931) 11.734 18.077 ( -9.129 -9.129 -6.529) 14.467 18.423 ( 6.990 6.990 0.790) 9.917 18.465 ( 4.726 4.726 3.332) 7.468 22.450 ( 0.657 0.657 1.237) 1.548 22.589 ( -2.067 -2.067 1.347) 3.219 22.846 ( 4.232 4.232 -0.119) 5.986 23.149 ( -1.619 -1.619 6.099) 6.515 24.441 ( 8.747 8.747 -23.574) 26.622 25.199 ( -12.077 -12.077 1.433) 17.140 27.109 ( 2.256 2.256 0.190) 3.197 27.158 ( 0.701 0.701 -1.957) 2.194 ======================= Grid point 102 (26/90) ======================= q-point: ( 0.38 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 2.345 ( 24.353 8.630 10.183) 27.771 2.657 ( 24.089 13.148 10.888) 29.524 3.163 ( -16.314 -6.020 -0.696) 17.404 3.497 ( -17.327 -2.177 8.563) 19.450 3.814 ( 21.735 19.579 3.525) 29.465 4.230 ( -0.870 6.389 -0.214) 6.451 6.448 ( -11.053 -23.342 2.349) 25.933 6.476 ( -11.630 -25.434 1.505) 28.008 7.224 ( -1.833 -12.568 8.961) 15.544 7.444 ( -11.393 -14.157 7.835) 19.789 8.102 ( 7.823 9.500 1.215) 12.366 8.263 ( 6.585 6.926 11.787) 15.174 8.354 ( -3.130 2.904 10.580) 11.409 8.463 ( -3.265 1.153 12.061) 12.549 9.119 ( 3.984 8.573 -0.993) 9.505 9.203 ( 7.035 9.391 -0.089) 11.734 9.361 ( 5.491 -0.030 -9.665) 11.116 9.424 ( 4.614 5.741 1.711) 7.562 9.709 ( -8.356 -7.525 0.666) 11.265 9.779 ( -7.106 -5.078 4.880) 10.005 10.105 ( 12.277 9.956 4.950) 16.564 10.466 ( -0.056 5.074 10.908) 12.031 10.637 ( -5.969 2.690 -6.238) 9.043 10.727 ( -3.842 0.702 -2.193) 4.479 10.945 ( -1.281 -0.044 1.644) 2.084 11.141 ( -2.097 5.854 -1.383) 6.370 11.268 ( 3.280 -6.154 -3.736) 7.912 11.488 ( -3.226 -4.895 -7.356) 9.406 11.851 ( 4.213 2.481 12.763) 13.668 11.937 ( 0.946 0.420 14.862) 14.898 12.136 ( 7.621 1.575 -1.635) 7.952 12.318 ( 0.033 1.253 -3.832) 4.032 12.345 ( -0.035 1.270 0.186) 1.284 12.434 ( -2.960 6.393 0.211) 7.048 12.772 ( 5.662 -4.875 -0.102) 7.472 13.022 ( -6.010 -4.491 -4.560) 8.780 13.476 ( 8.364 10.536 0.741) 13.473 13.770 ( -3.240 7.261 -1.439) 8.080 13.867 ( 2.904 -0.108 -1.973) 3.512 14.159 ( -8.393 -3.850 -1.639) 9.379 14.292 ( 2.279 -3.609 -6.162) 7.496 14.495 ( -4.098 -8.115 3.768) 9.841 14.609 ( -0.328 -2.187 -0.142) 2.216 14.683 ( -0.117 -4.090 4.935) 6.411 14.821 ( -1.745 -2.860 -1.795) 3.801 14.893 ( -5.671 -4.628 -1.266) 7.429 16.003 ( 8.368 6.095 -7.225) 12.624 16.110 ( 2.602 5.791 -7.940) 10.167 16.241 ( 1.736 -0.663 -5.692) 5.987 16.252 ( 2.634 -0.820 -2.352) 3.625 16.420 ( 2.679 3.450 -2.880) 5.232 16.549 ( -5.066 4.773 -1.557) 7.132 16.719 ( 4.042 -3.437 -1.495) 5.512 16.842 ( -2.002 -3.185 -2.039) 4.280 17.566 ( -0.253 -9.422 -5.088) 10.711 17.861 ( -12.393 -8.309 -6.035) 16.095 18.527 ( 3.995 8.615 0.883) 9.537 18.547 ( 3.049 7.193 1.815) 8.021 22.470 ( 1.495 -0.357 1.953) 2.485 22.547 ( -2.321 -1.790 1.970) 3.532 22.932 ( 4.778 3.785 1.260) 6.224 23.099 ( -3.564 0.880 4.784) 6.030 24.603 ( 8.633 1.869 -15.095) 17.490 24.974 ( -11.429 -7.136 -2.842) 13.770 27.148 ( 1.717 1.545 -1.434) 2.719 27.171 ( 0.445 0.726 -2.418) 2.564 ======================= Grid point 103 (27/90) ======================= q-point: (-0.50 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 2.783 ( -20.808 1.399 4.623) 21.361 2.783 ( 20.808 1.399 4.623) 21.361 3.122 ( -21.541 4.723 8.663) 23.693 3.122 ( 21.541 4.723 8.663) 23.693 4.124 ( -10.900 12.067 1.058) 16.296 4.124 ( 10.900 12.067 1.058) 16.296 6.350 ( -0.976 -26.789 3.166) 26.993 6.350 ( 0.976 -26.789 3.166) 26.993 7.270 ( -6.364 -14.271 8.124) 17.611 7.270 ( 6.364 -14.271 8.124) 17.611 8.242 ( -6.660 7.282 6.785) 11.976 8.242 ( 6.660 7.282 6.785) 11.976 8.389 ( -4.810 3.932 12.628) 14.073 8.389 ( 4.810 3.932 12.628) 14.073 9.205 ( -4.709 5.869 -4.813) 8.932 9.205 ( 4.709 5.869 -4.813) 8.932 9.454 ( -3.332 2.438 -0.355) 4.144 9.454 ( 3.332 2.438 -0.355) 4.144 9.665 ( -3.920 -2.639 3.285) 5.755 9.665 ( 3.920 -2.639 3.285) 5.755 10.340 ( -11.715 7.461 2.520) 14.115 10.340 ( 11.715 7.461 2.520) 14.115 10.624 ( -4.295 3.531 2.602) 6.139 10.624 ( 4.295 3.531 2.602) 6.139 11.033 ( -7.229 3.983 -4.765) 9.530 11.033 ( 7.229 3.983 -4.765) 9.530 11.383 ( -7.046 -6.122 -4.507) 10.365 11.383 ( 7.046 -6.122 -4.507) 10.365 11.917 ( -2.580 0.135 13.068) 13.321 11.917 ( 2.580 0.135 13.068) 13.321 12.274 ( -5.557 1.002 -0.277) 5.653 12.274 ( 5.557 1.002 -0.277) 5.653 12.369 ( -2.919 4.476 -1.274) 5.494 12.369 ( 2.919 4.476 -1.274) 5.494 12.896 ( -7.029 -5.205 -1.874) 8.945 12.896 ( 7.029 -5.205 -1.874) 8.945 13.641 ( -8.686 11.621 1.188) 14.557 13.641 ( 8.686 11.621 1.188) 14.557 13.989 ( -8.598 -3.072 -2.694) 9.520 13.989 ( 8.598 -3.072 -2.694) 9.520 14.382 ( -6.364 -5.179 -2.356) 8.537 14.382 ( 6.364 -5.179 -2.356) 8.537 14.652 ( -3.067 -5.882 0.876) 6.691 14.652 ( 3.067 -5.882 0.876) 6.691 14.820 ( -1.989 -2.589 1.259) 3.499 14.820 ( 1.989 -2.589 1.259) 3.499 16.116 ( -2.678 4.781 -5.651) 7.872 16.116 ( 2.678 4.781 -5.651) 7.872 16.263 ( -1.372 -1.923 -5.070) 5.593 16.263 ( 1.372 -1.923 -5.070) 5.593 16.470 ( -2.946 4.214 -2.282) 5.626 16.470 ( 2.946 4.214 -2.282) 5.626 16.794 ( -3.235 -3.021 -2.695) 5.182 16.794 ( 3.235 -3.021 -2.695) 5.182 17.651 ( -8.801 -8.743 -5.777) 13.685 17.651 ( 8.801 -8.743 -5.777) 13.685 18.570 ( -0.568 8.652 1.149) 8.747 18.570 ( 0.568 8.652 1.149) 8.747 22.505 ( -2.099 -1.213 2.150) 3.240 22.505 ( 2.099 -1.213 2.150) 3.240 23.021 ( -4.546 2.696 3.064) 6.110 23.021 ( 4.546 2.696 3.064) 6.110 24.774 ( -9.720 -2.863 -8.248) 13.065 24.774 ( 9.720 -2.863 -8.248) 13.065 27.170 ( -0.578 1.013 -2.299) 2.578 27.170 ( 0.578 1.013 -2.299) 2.578 ======================= Grid point 111 (28/90) ======================= q-point: ( 0.38 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 2.569 ( 14.011 14.011 9.780) 22.096 2.930 ( 15.053 15.053 8.864) 23.059 3.030 ( -8.413 -8.413 2.544) 12.166 3.402 ( -7.910 -7.910 8.547) 14.078 4.142 ( 14.183 14.183 -0.467) 20.063 4.333 ( 3.424 3.424 -2.185) 5.313 6.073 ( -15.066 -15.066 4.670) 21.812 6.080 ( -15.488 -15.488 3.619) 22.201 7.050 ( -5.147 -5.147 9.651) 12.088 7.195 ( -11.397 -11.397 8.859) 18.392 8.240 ( 5.373 5.373 6.046) 9.710 8.355 ( -0.578 -0.578 11.616) 11.645 8.381 ( 4.148 4.148 13.567) 14.781 8.473 ( -0.224 -0.224 14.026) 14.029 9.238 ( 3.086 3.086 -1.339) 4.565 9.324 ( -2.649 -2.649 -10.649) 11.289 9.338 ( 5.575 5.575 -2.208) 8.188 9.560 ( 7.509 7.509 3.565) 11.202 9.591 ( -5.315 -5.315 0.987) 7.581 9.731 ( -0.692 -0.692 0.999) 1.398 10.305 ( 10.475 10.475 1.306) 14.871 10.537 ( 0.759 0.759 10.332) 10.388 10.634 ( -0.800 -0.800 -1.649) 2.000 10.779 ( 2.343 2.343 -20.659) 20.923 10.902 ( -1.814 -1.814 9.531) 9.871 11.195 ( -5.948 -5.948 -6.737) 10.777 11.216 ( 6.047 6.047 -3.559) 9.262 11.435 ( -1.961 -1.961 -10.239) 10.607 11.881 ( 1.161 1.161 18.695) 18.767 11.930 ( -1.115 -1.115 16.966) 17.039 12.214 ( 6.152 6.152 -0.277) 8.704 12.344 ( 1.395 1.395 -3.870) 4.343 12.371 ( 1.624 1.624 1.885) 2.971 12.517 ( 0.164 0.164 2.666) 2.676 12.703 ( -0.192 -0.192 -1.340) 1.367 12.916 ( -6.775 -6.775 -2.374) 9.871 13.679 ( 10.429 10.429 0.933) 14.779 13.851 ( 3.679 3.679 -3.368) 6.198 13.916 ( 1.716 1.716 -0.611) 2.502 14.087 ( -4.721 -4.721 1.259) 6.794 14.225 ( -2.195 -2.195 -8.767) 9.300 14.340 ( -6.554 -6.554 0.571) 9.287 14.564 ( -2.459 -2.459 -1.255) 3.697 14.614 ( -3.210 -3.210 3.910) 5.991 14.779 ( -1.322 -1.322 1.946) 2.698 14.817 ( -3.235 -3.235 3.253) 5.614 16.128 ( 6.540 6.540 -3.396) 9.853 16.179 ( 1.288 1.288 -10.595) 10.750 16.215 ( -0.885 -0.885 -9.252) 9.336 16.265 ( 0.965 0.965 2.630) 2.963 16.481 ( 2.988 2.988 -2.035) 4.690 16.588 ( -1.800 -1.800 0.344) 2.569 16.693 ( 1.716 1.716 -4.905) 5.472 16.787 ( -2.788 -2.788 -3.585) 5.329 17.458 ( -1.312 -1.312 -7.678) 7.900 17.683 ( -9.868 -9.868 -7.750) 15.963 18.653 ( 4.653 4.653 0.972) 6.651 18.660 ( 4.273 4.273 1.338) 6.190 22.470 ( 0.383 0.383 3.205) 3.250 22.513 ( -1.724 -1.724 3.161) 3.992 23.004 ( 3.626 3.626 2.091) 5.537 23.098 ( -0.986 -0.986 4.232) 4.456 24.650 ( 3.148 3.148 -11.316) 12.160 24.839 ( -6.811 -6.811 -4.885) 10.800 27.175 ( 1.153 1.153 -2.848) 3.282 27.184 ( 0.581 0.581 -3.384) 3.483 ======================= Grid point 112 (29/90) ======================= q-point: (-0.50 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 2.829 ( -12.657 2.737 6.636) 14.551 2.829 ( 12.657 2.737 6.636) 14.551 3.202 ( -12.963 3.530 7.871) 15.571 3.202 ( 12.963 3.530 7.871) 15.571 4.324 ( -4.927 8.161 -2.232) 9.791 4.324 ( 4.927 8.161 -2.232) 9.791 5.926 ( -0.183 -16.846 5.128) 17.611 5.926 ( 0.183 -16.846 5.128) 17.611 7.042 ( -4.206 -9.044 9.553) 13.811 7.042 ( 4.206 -9.044 9.553) 13.811 8.316 ( -2.949 1.380 10.384) 10.883 8.316 ( 2.949 1.380 10.384) 10.883 8.448 ( -2.459 2.360 14.214) 14.617 8.448 ( 2.459 2.360 14.214) 14.617 9.271 ( -1.883 2.488 -6.723) 7.412 9.271 ( 1.883 2.488 -6.723) 7.412 9.466 ( -7.060 -2.216 0.832) 7.446 9.466 ( 7.060 -2.216 0.832) 7.446 9.691 ( -4.668 4.082 0.839) 6.257 9.691 ( 4.668 4.082 0.839) 6.257 10.469 ( -6.543 5.102 2.545) 8.679 10.469 ( 6.543 5.102 2.545) 8.679 10.694 ( -6.183 5.458 -4.807) 9.546 10.694 ( 6.183 5.458 -4.807) 9.546 11.027 ( -10.271 -5.581 -4.295) 12.453 11.027 ( 10.271 -5.581 -4.295) 12.453 11.354 ( -6.728 2.658 -7.948) 10.747 11.354 ( 6.728 2.658 -7.948) 10.747 11.904 ( -1.368 -1.261 18.626) 18.718 11.904 ( 1.368 -1.261 18.626) 18.718 12.322 ( -3.913 3.897 -0.731) 5.571 12.322 ( 3.913 3.897 -0.731) 5.571 12.442 ( -5.535 2.911 2.133) 6.608 12.442 ( 5.535 2.911 2.133) 6.608 12.782 ( -6.740 -6.413 -1.016) 9.359 12.782 ( 6.740 -6.413 -1.016) 9.359 13.852 ( -7.118 9.666 0.002) 12.004 13.852 ( 7.118 9.666 0.002) 12.004 13.962 ( -7.101 0.417 -1.290) 7.229 13.962 ( 7.101 0.417 -1.290) 7.229 14.250 ( -3.767 -7.754 -4.807) 9.871 14.250 ( 3.767 -7.754 -4.807) 9.871 14.558 ( -2.076 -4.132 0.224) 4.630 14.558 ( 2.076 -4.132 0.224) 4.630 14.776 ( -1.029 -1.767 5.110) 5.504 14.776 ( 1.029 -1.767 5.110) 5.504 16.190 ( -0.425 1.398 -8.743) 8.864 16.190 ( 0.425 1.398 -8.743) 8.864 16.244 ( -3.452 1.279 -0.857) 3.780 16.244 ( 3.452 1.279 -0.857) 3.780 16.535 ( -2.922 2.542 -1.336) 4.097 16.535 ( 2.922 2.542 -1.336) 4.097 16.737 ( -2.476 -2.686 -4.230) 5.589 16.737 ( 2.476 -2.686 -4.230) 5.589 17.517 ( -6.867 -5.149 -8.630) 12.171 17.517 ( 6.867 -5.149 -8.630) 12.171 18.699 ( -0.182 4.752 1.053) 4.871 18.699 ( 0.182 4.752 1.053) 4.871 22.485 ( -1.178 -0.781 3.572) 3.841 22.485 ( 1.178 -0.781 3.572) 3.841 23.064 ( -2.605 1.633 3.276) 4.493 23.064 ( 2.605 1.633 3.276) 4.493 24.726 ( -5.045 -1.996 -7.779) 9.484 24.726 ( 5.045 -1.996 -7.779) 9.484 27.188 ( -0.231 0.784 -3.558) 3.651 27.188 ( 0.231 0.784 -3.558) 3.651 ======================= Grid point 125 (30/90) ======================= q-point: (-0.50 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 2.860 ( 0.000 0.000 7.408) 7.408 2.860 ( 0.000 0.000 7.408) 7.408 3.239 ( 0.000 0.000 7.079) 7.079 3.239 ( 0.000 0.000 7.079) 7.079 4.405 ( 0.000 0.000 -3.330) 3.330 4.405 ( 0.000 0.000 -3.330) 3.330 5.760 ( 0.000 0.000 6.044) 6.044 5.760 ( 0.000 0.000 6.044) 6.044 6.953 ( 0.000 0.000 10.130) 10.130 6.953 ( 0.000 0.000 10.130) 10.130 8.325 ( 0.000 0.000 12.197) 12.197 8.325 ( 0.000 0.000 12.197) 12.197 8.471 ( 0.000 0.000 14.323) 14.323 8.471 ( 0.000 0.000 14.323) 14.323 9.304 ( -0.000 -0.000 -7.980) 7.980 9.304 ( 0.000 0.000 -7.980) 7.980 9.428 ( 0.000 0.000 1.841) 1.841 9.428 ( 0.000 0.000 1.841) 1.841 9.738 ( 0.000 0.000 0.283) 0.283 9.738 ( 0.000 0.000 0.283) 0.283 10.511 ( 0.000 0.000 4.227) 4.227 10.511 ( 0.000 0.000 4.227) 4.227 10.815 ( -0.000 -0.000 -25.463) 25.463 10.815 ( 0.000 0.000 -25.463) 25.463 10.905 ( -0.000 -0.000 12.231) 12.231 10.905 ( 0.000 0.000 12.231) 12.231 11.394 ( 0.000 0.000 -11.249) 11.249 11.394 ( 0.000 0.000 -11.249) 11.249 11.887 ( 0.000 0.000 21.967) 21.967 11.887 ( 0.000 0.000 21.967) 21.967 12.376 ( 0.000 0.000 -3.513) 3.513 12.376 ( 0.000 0.000 -3.513) 3.513 12.472 ( -0.000 -0.000 7.100) 7.100 12.472 ( 0.000 0.000 7.100) 7.100 12.702 ( 0.000 0.000 -1.183) 1.183 12.702 ( 0.000 0.000 -1.183) 1.183 13.958 ( 0.000 0.000 -1.112) 1.112 13.958 ( 0.000 0.000 -1.112) 1.112 13.980 ( 0.000 0.000 0.729) 0.729 13.980 ( 0.000 0.000 0.729) 0.729 14.154 ( 0.000 0.000 -6.533) 6.533 14.154 ( 0.000 0.000 -6.533) 6.533 14.511 ( -0.000 -0.000 -0.949) 0.949 14.511 ( 0.000 0.000 -0.949) 0.949 14.760 ( 0.000 0.000 7.231) 7.231 14.760 ( 0.000 0.000 7.231) 7.231 16.189 ( 0.000 0.000 -9.867) 9.867 16.189 ( 0.000 0.000 -9.867) 9.867 16.274 ( 0.000 0.000 1.087) 1.087 16.274 ( 0.000 0.000 1.087) 1.087 16.560 ( 0.000 0.000 -0.776) 0.776 16.560 ( 0.000 0.000 -0.776) 0.776 16.708 ( 0.000 0.000 -5.175) 5.175 16.708 ( 0.000 0.000 -5.175) 5.175 17.467 ( 0.000 0.000 -9.937) 9.937 17.467 ( 0.000 0.000 -9.937) 9.937 18.744 ( 0.000 0.000 0.989) 0.989 18.744 ( 0.000 0.000 0.989) 0.989 22.477 ( 0.000 0.000 4.041) 4.041 22.477 ( 0.000 0.000 4.041) 4.041 23.079 ( 0.000 0.000 3.455) 3.455 23.079 ( 0.000 0.000 3.455) 3.455 24.706 ( 0.000 0.000 -7.623) 7.623 24.706 ( 0.000 0.000 -7.623) 7.623 27.196 ( 0.000 0.000 -4.034) 4.034 27.196 ( 0.000 0.000 -4.034) 4.034 ======================= Grid point 162 (31/90) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.573 ( -0.000 -0.000 36.469) 36.469 1.573 ( 0.000 0.000 36.469) 36.469 2.320 ( -0.000 0.000 47.324) 47.324 4.041 ( 0.000 0.000 -2.889) 2.889 4.041 ( 0.000 0.000 -2.889) 2.889 4.078 ( 0.000 0.000 -1.959) 1.959 7.046 ( -0.000 -0.000 -8.703) 8.703 7.046 ( -0.000 -0.000 -8.703) 8.703 7.555 ( -0.000 -0.000 -18.884) 18.884 7.555 ( 0.000 0.000 -18.884) 18.884 8.166 ( 0.000 0.000 11.688) 11.688 8.307 ( 0.000 0.000 6.351) 6.351 8.307 ( 0.000 0.000 6.351) 6.351 8.718 ( 0.000 0.000 30.051) 30.051 9.041 ( 0.000 0.000 13.624) 13.624 9.165 ( -0.000 -0.000 10.790) 10.790 9.346 ( 0.000 0.000 40.638) 40.638 9.457 ( 0.000 0.000 4.931) 4.931 9.457 ( -0.000 0.000 4.931) 4.931 9.778 ( 0.000 0.000 -21.669) 21.669 10.617 ( 0.000 0.000 17.112) 17.112 10.617 ( -0.000 0.000 17.112) 17.112 10.937 ( 0.000 0.000 2.855) 2.855 11.068 ( -0.000 -0.000 7.126) 7.126 11.234 ( -0.000 -0.000 -3.561) 3.561 11.234 ( 0.000 0.000 -3.561) 3.561 11.565 ( -0.000 -0.000 5.615) 5.615 11.565 ( 0.000 0.000 5.615) 5.615 11.788 ( 0.000 0.000 1.717) 1.717 11.895 ( 0.000 0.000 -10.325) 10.325 12.104 ( 0.000 0.000 10.379) 10.379 12.220 ( -0.000 0.000 22.059) 22.059 12.225 ( 0.000 0.000 -7.452) 7.452 12.225 ( -0.000 0.000 -7.452) 7.452 12.767 ( 0.000 0.000 4.978) 4.978 12.881 ( 0.000 0.000 -12.332) 12.332 12.935 ( 0.000 0.000 -22.884) 22.884 13.883 ( 0.000 -0.000 2.312) 2.312 13.883 ( -0.000 0.000 2.312) 2.312 13.918 ( 0.000 0.000 4.666) 4.666 14.287 ( 0.000 0.000 -5.478) 5.478 14.287 ( 0.000 0.000 -5.478) 5.478 14.762 ( 0.000 0.000 -3.417) 3.417 14.762 ( -0.000 0.000 -3.417) 3.417 14.818 ( -0.000 -0.000 -11.394) 11.394 14.895 ( 0.000 0.000 -11.423) 11.423 15.533 ( 0.000 0.000 2.410) 2.410 15.606 ( 0.000 0.000 9.490) 9.490 15.606 ( 0.000 0.000 9.490) 9.490 15.745 ( -0.000 -0.000 -25.190) 25.190 16.086 ( -0.000 0.000 -4.527) 4.527 16.193 ( -0.000 0.000 -24.488) 24.488 17.089 ( -0.000 0.000 10.802) 10.802 17.956 ( 0.000 0.000 -3.684) 3.684 17.956 ( 0.000 0.000 -3.684) 3.684 18.077 ( -0.000 0.000 -1.269) 1.269 18.077 ( -0.000 -0.000 -1.269) 1.269 18.650 ( 0.000 0.000 -7.415) 7.415 22.380 ( 0.000 0.000 -1.927) 1.927 22.380 ( 0.000 0.000 -1.927) 1.927 22.658 ( 0.000 0.000 -1.362) 1.362 22.658 ( 0.000 0.000 -1.362) 1.362 23.484 ( 0.000 0.000 15.420) 15.420 25.973 ( 0.000 0.000 -17.756) 17.756 27.110 ( -0.000 0.000 4.803) 4.803 27.125 ( -0.000 0.000 -0.009) 0.009 ======================= Grid point 163 (32/90) ======================= q-point: ( 0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.730 ( 15.599 0.000 31.423) 35.081 1.734 ( 15.357 0.000 32.179) 35.655 2.544 ( 22.611 0.000 40.554) 46.431 3.907 ( -9.194 0.000 -3.935) 10.001 3.960 ( -8.475 0.000 -2.316) 8.786 4.185 ( 5.910 0.000 0.567) 5.937 7.068 ( 2.307 0.000 -7.165) 7.527 7.104 ( 5.305 0.000 -9.708) 11.063 7.537 ( -1.620 0.000 -16.230) 16.311 7.566 ( 1.171 0.000 -16.844) 16.884 8.089 ( -6.928 0.000 11.341) 13.290 8.345 ( 2.680 0.000 5.638) 6.243 8.371 ( 5.801 0.000 6.320) 8.579 8.696 ( -3.221 0.000 27.832) 28.018 9.005 ( -9.264 0.000 8.643) 12.670 9.040 ( 0.042 0.000 11.470) 11.470 9.334 ( -0.695 0.000 41.570) 41.576 9.433 ( -2.003 0.000 5.112) 5.490 9.644 ( 13.210 0.000 7.638) 15.259 9.825 ( 4.277 0.000 -22.057) 22.468 10.424 ( -14.506 0.000 9.829) 17.522 10.625 ( 0.771 0.000 16.941) 16.958 10.922 ( -4.422 0.000 7.076) 8.344 11.146 ( 6.697 0.000 7.532) 10.078 11.188 ( -7.542 0.000 0.718) 7.576 11.361 ( 10.047 0.000 -2.220) 10.290 11.375 ( -12.105 0.000 2.462) 12.353 11.565 ( 2.715 0.000 6.600) 7.136 11.755 ( -16.650 0.000 8.242) 18.578 11.827 ( -4.016 0.000 -7.721) 8.703 11.947 ( 4.330 0.000 -0.335) 4.343 12.194 ( -2.055 0.000 -5.706) 6.065 12.295 ( 5.873 0.000 18.029) 18.962 12.409 ( 6.297 0.000 -0.615) 6.327 12.771 ( 1.132 0.000 3.798) 3.963 12.924 ( -0.661 0.000 -21.375) 21.385 12.932 ( 5.224 0.000 -9.654) 10.977 13.781 ( -3.230 0.000 0.324) 3.246 13.863 ( -2.378 0.000 3.062) 3.877 14.236 ( -4.429 0.000 -6.971) 8.259 14.246 ( 19.017 0.000 -3.087) 19.266 14.327 ( 2.427 0.000 -7.965) 8.327 14.739 ( -2.193 0.000 -3.358) 4.011 14.830 ( 1.056 0.000 -9.947) 10.003 14.870 ( 13.640 0.000 -5.551) 14.726 14.904 ( 0.520 0.000 -8.750) 8.765 15.347 ( -11.637 0.000 5.240) 12.763 15.611 ( 1.232 0.000 -1.233) 1.743 15.796 ( 11.899 0.000 4.634) 12.770 15.828 ( 7.526 0.000 -16.635) 18.258 16.115 ( 2.923 0.000 -4.397) 5.280 16.198 ( 0.808 0.000 -22.968) 22.982 17.046 ( -4.732 0.000 8.731) 9.931 17.725 ( -20.877 0.000 2.872) 21.074 17.945 ( -1.162 0.000 -3.730) 3.907 18.058 ( -1.927 0.000 -1.453) 2.414 18.081 ( 1.347 0.000 -0.416) 1.410 18.586 ( -4.958 0.000 -3.773) 6.231 22.389 ( 0.944 0.000 -1.911) 2.131 22.623 ( 8.358 0.000 -4.362) 9.428 22.646 ( -1.262 0.000 -1.390) 1.877 22.888 ( 32.103 0.000 -12.713) 34.528 23.464 ( -1.610 0.000 14.549) 14.638 25.808 ( -16.070 0.000 -13.570) 21.033 27.102 ( -0.580 0.000 3.524) 3.571 27.127 ( 0.420 0.000 0.241) 0.484 ======================= Grid point 164 (33/90) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 2.097 ( 22.283 0.000 23.378) 32.297 2.107 ( 23.040 0.000 21.741) 31.678 3.082 ( 31.588 0.000 28.304) 42.413 3.696 ( -13.409 0.000 -2.968) 13.734 3.733 ( -15.178 0.000 -0.641) 15.191 4.273 ( 2.699 0.000 3.979) 4.808 7.128 ( 3.820 0.000 -3.172) 4.965 7.216 ( 6.225 0.000 -9.440) 11.307 7.508 ( -1.392 0.000 -8.323) 8.439 7.598 ( 1.777 0.000 -12.050) 12.181 7.944 ( -7.338 0.000 8.169) 10.981 8.357 ( -2.696 0.000 5.558) 6.177 8.463 ( 1.331 0.000 12.109) 12.182 8.586 ( -5.203 0.000 14.701) 15.595 8.960 ( 4.256 0.000 15.553) 16.125 9.058 ( 2.622 0.000 4.006) 4.788 9.318 ( -1.037 0.000 36.625) 36.640 9.412 ( 0.170 0.000 5.694) 5.697 9.881 ( 11.444 0.000 11.560) 16.266 9.897 ( 1.915 0.000 -22.663) 22.744 10.166 ( -11.813 0.000 6.434) 13.452 10.640 ( 0.775 0.000 16.127) 16.145 10.842 ( -2.917 0.000 8.667) 9.145 10.908 ( -18.635 0.000 7.528) 20.098 11.171 ( -3.481 0.000 5.185) 6.245 11.185 ( -11.677 0.000 6.666) 13.446 11.521 ( -6.290 0.000 2.019) 6.607 11.558 ( 11.013 0.000 1.200) 11.078 11.711 ( -6.886 0.000 -10.958) 12.942 11.725 ( 11.716 0.000 4.910) 12.703 12.046 ( 4.715 0.000 -3.684) 5.984 12.157 ( -1.237 0.000 -5.383) 5.523 12.403 ( 4.563 0.000 14.771) 15.460 12.429 ( -3.251 0.000 2.316) 3.991 12.824 ( 4.053 0.000 1.587) 4.353 12.923 ( 0.596 0.000 -15.848) 15.859 13.065 ( 8.586 0.000 -3.396) 9.234 13.765 ( 1.662 0.000 -2.840) 3.291 13.775 ( -7.107 0.000 3.801) 8.060 14.176 ( -0.703 0.000 -8.278) 8.308 14.289 ( -5.050 0.000 -6.213) 8.006 14.521 ( 10.241 0.000 -4.680) 11.260 14.681 ( -4.144 0.000 -3.076) 5.161 14.846 ( 0.417 0.000 -6.623) 6.636 14.902 ( -0.757 0.000 -4.749) 4.809 15.125 ( -11.417 0.000 4.647) 12.327 15.247 ( 22.264 0.000 -12.789) 25.676 15.660 ( 3.763 0.000 -10.728) 11.369 15.970 ( 5.999 0.000 -14.876) 16.040 16.015 ( 10.874 0.000 1.453) 10.971 16.186 ( 4.213 0.000 -4.036) 5.835 16.243 ( 4.479 0.000 -15.717) 16.343 16.909 ( -9.403 0.000 3.496) 10.032 17.346 ( -17.082 0.000 8.481) 19.071 17.917 ( -1.587 0.000 -3.780) 4.099 18.009 ( -3.164 0.000 -1.969) 3.727 18.123 ( 2.954 0.000 0.295) 2.969 18.488 ( -5.504 0.000 -1.430) 5.687 22.415 ( 1.817 0.000 -1.864) 2.603 22.612 ( -2.268 0.000 -1.466) 2.701 22.749 ( 7.033 0.000 0.024) 7.033 23.310 ( -0.531 0.000 5.927) 5.950 23.641 ( 28.430 0.000 -15.795) 32.522 25.437 ( -21.838 0.000 -9.062) 23.643 27.100 ( 0.411 0.000 1.055) 1.133 27.138 ( 0.533 0.000 -0.058) 0.536 ======================= Grid point 165 (34/90) ======================= q-point: ( 0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 2.545 ( 24.533 0.000 14.168) 28.330 2.559 ( 24.181 0.000 13.044) 27.475 3.394 ( -18.661 0.000 0.781) 18.677 3.402 ( -19.644 0.000 2.198) 19.767 3.650 ( 26.967 0.000 18.439) 32.668 4.258 ( -5.012 0.000 7.611) 9.113 7.211 ( 5.210 0.000 1.665) 5.470 7.341 ( 7.228 0.000 -7.806) 10.639 7.458 ( -5.042 0.000 3.332) 6.043 7.596 ( -2.999 0.000 -8.305) 8.830 7.879 ( 2.145 0.000 0.934) 2.339 8.227 ( -10.360 0.000 4.731) 11.389 8.428 ( -0.421 0.000 16.797) 16.802 8.552 ( -1.931 0.000 12.777) 12.922 9.104 ( 9.250 0.000 16.639) 19.037 9.160 ( 7.962 0.000 -3.951) 8.888 9.296 ( -1.401 0.000 29.389) 29.423 9.418 ( -1.113 0.000 2.374) 2.622 9.873 ( -2.506 0.000 -14.240) 14.458 10.002 ( -6.332 0.000 3.756) 7.362 10.071 ( 9.170 0.000 14.330) 17.013 10.557 ( -17.469 0.000 7.960) 19.197 10.667 ( 2.243 0.000 15.973) 16.130 10.841 ( 3.000 0.000 7.218) 7.817 10.939 ( -12.510 0.000 13.412) 18.341 11.069 ( -6.602 0.000 3.434) 7.442 11.481 ( 0.545 0.000 -7.102) 7.123 11.593 ( -5.277 0.000 -11.264) 12.438 11.754 ( 9.084 0.000 0.189) 9.086 11.896 ( 4.197 0.000 0.116) 4.198 12.128 ( 4.315 0.000 -4.388) 6.154 12.187 ( 5.679 0.000 1.217) 5.808 12.331 ( -6.145 0.000 0.762) 6.192 12.435 ( -1.718 0.000 10.849) 10.984 12.897 ( 3.120 0.000 -0.373) 3.142 12.937 ( 0.580 0.000 -9.175) 9.194 13.243 ( 9.886 0.000 1.809) 10.051 13.612 ( -9.546 0.000 3.304) 10.102 13.842 ( 6.313 0.000 -4.788) 7.924 14.156 ( -8.488 0.000 -6.307) 10.575 14.225 ( 5.740 0.000 -6.842) 8.931 14.565 ( -8.515 0.000 -3.369) 9.157 14.679 ( 6.862 0.000 -3.043) 7.507 14.837 ( -1.581 0.000 -3.944) 4.249 14.883 ( -0.960 0.000 -1.903) 2.132 14.948 ( -6.560 0.000 3.761) 7.562 15.610 ( 14.821 0.000 -14.965) 21.062 15.738 ( 3.895 0.000 -15.693) 16.169 16.046 ( 3.724 0.000 -15.789) 16.222 16.188 ( 7.015 0.000 -0.977) 7.083 16.256 ( 2.716 0.000 -3.442) 4.384 16.313 ( -0.878 0.000 -6.914) 6.969 16.769 ( -1.698 0.000 -0.556) 1.787 17.082 ( -11.925 0.000 6.269) 13.472 17.894 ( -0.594 0.000 -3.671) 3.719 17.947 ( -3.087 0.000 -2.667) 4.080 18.189 ( 4.102 0.000 0.845) 4.188 18.380 ( -5.736 0.000 -0.057) 5.736 22.456 ( 2.516 0.000 -1.787) 3.086 22.563 ( -2.835 0.000 -1.573) 3.242 22.896 ( 8.391 0.000 3.395) 9.052 23.210 ( -7.346 0.000 9.366) 11.903 24.165 ( 25.202 0.000 -18.138) 31.050 25.019 ( -22.065 0.000 -9.472) 24.012 27.115 ( 1.053 0.000 -0.631) 1.228 27.143 ( -0.074 0.000 -0.817) 0.821 ======================= Grid point 166 (35/90) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 2.998 ( -22.965 0.000 6.485) 23.863 2.998 ( 22.965 0.000 6.485) 23.863 3.002 ( -22.541 0.000 6.588) 23.484 3.002 ( 22.541 0.000 6.588) 23.484 4.061 ( -16.191 0.000 12.025) 20.168 4.061 ( 16.191 0.000 12.025) 20.168 7.330 ( -7.265 0.000 5.515) 9.121 7.330 ( 7.265 0.000 5.515) 9.121 7.486 ( -7.666 0.000 -6.920) 10.328 7.486 ( 7.666 0.000 -6.920) 10.328 8.015 ( -10.738 0.000 1.250) 10.811 8.015 ( 10.738 0.000 1.250) 10.811 8.481 ( -4.742 0.000 15.887) 16.579 8.481 ( 4.742 0.000 15.887) 16.579 9.245 ( -4.822 0.000 21.565) 22.097 9.245 ( 4.822 0.000 21.565) 22.097 9.325 ( -8.227 0.000 -5.079) 9.668 9.325 ( 8.227 0.000 -5.079) 9.668 9.894 ( -4.602 0.000 -1.154) 4.744 9.894 ( 4.602 0.000 -1.154) 4.744 10.266 ( -12.701 0.000 12.287) 17.671 10.266 ( 12.701 0.000 12.287) 17.671 10.752 ( -7.086 0.000 14.174) 15.847 10.752 ( 7.086 0.000 14.174) 15.847 10.939 ( -6.708 0.000 4.275) 7.954 10.939 ( 6.708 0.000 4.275) 7.954 11.516 ( -2.989 0.000 -10.173) 10.603 11.516 ( 2.989 0.000 -10.173) 10.603 11.883 ( -4.321 0.000 -2.046) 4.781 11.883 ( 4.321 0.000 -2.046) 4.781 12.219 ( -5.469 0.000 -2.240) 5.909 12.219 ( 5.469 0.000 -2.240) 5.909 12.337 ( -8.004 0.000 7.526) 10.987 12.337 ( 8.004 0.000 7.526) 10.987 12.935 ( -0.971 0.000 -3.848) 3.969 12.935 ( 0.971 0.000 -3.848) 3.969 13.429 ( -9.799 0.000 3.257) 10.326 13.429 ( 9.799 0.000 3.257) 10.326 13.989 ( -8.769 0.000 -5.833) 10.532 13.989 ( 8.769 0.000 -5.833) 10.532 14.379 ( -10.027 0.000 -4.656) 11.055 14.379 ( 10.027 0.000 -4.656) 11.055 14.783 ( -4.182 0.000 -2.883) 5.080 14.783 ( 4.182 0.000 -2.883) 5.080 14.881 ( -1.157 0.000 1.159) 1.637 14.881 ( 1.157 0.000 1.159) 1.637 15.767 ( -2.266 0.000 -17.662) 17.806 15.767 ( 2.266 0.000 -17.662) 17.806 16.179 ( -9.977 0.000 -8.653) 13.206 16.179 ( 9.977 0.000 -8.653) 13.206 16.270 ( -1.633 0.000 -2.507) 2.992 16.270 ( 1.633 0.000 -2.507) 2.992 16.873 ( -9.962 0.000 1.628) 10.094 16.873 ( 9.962 0.000 1.628) 10.094 17.902 ( -1.494 0.000 -3.295) 3.618 17.902 ( 1.494 0.000 -3.295) 3.618 18.277 ( -5.138 0.000 0.771) 5.196 18.277 ( 5.138 0.000 0.771) 5.196 22.508 ( -2.899 0.000 -1.686) 3.354 22.508 ( 2.899 0.000 -1.686) 3.354 23.058 ( -8.568 0.000 6.773) 10.921 23.058 ( 8.568 0.000 6.773) 10.921 24.605 ( -22.166 0.000 -13.201) 25.799 24.605 ( 22.166 0.000 -13.201) 25.799 27.134 ( -0.825 0.000 -1.180) 1.439 27.134 ( 0.825 0.000 -1.180) 1.439 ======================= Grid point 172 (36/90) ======================= q-point: ( 0.12 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.804 ( 11.233 11.233 31.382) 35.173 1.917 ( 14.886 14.886 27.128) 34.339 2.749 ( 20.266 20.266 34.101) 44.546 3.758 ( -9.851 -9.851 -3.858) 14.456 4.073 ( 1.673 1.673 -2.371) 3.349 4.126 ( -1.991 -1.991 2.408) 3.706 6.998 ( -4.061 -4.061 -8.967) 10.648 7.160 ( 1.011 1.011 -3.469) 3.753 7.471 ( -0.479 -0.479 -15.903) 15.917 7.646 ( 3.629 3.629 -15.420) 16.251 8.010 ( -7.028 -7.028 12.780) 16.190 8.366 ( 1.134 1.134 10.419) 10.542 8.470 ( 8.919 8.919 -0.048) 12.614 8.660 ( -3.868 -3.868 21.231) 21.925 8.901 ( -4.110 -4.110 14.451) 15.576 9.114 ( 2.635 2.635 10.826) 11.449 9.338 ( 0.430 0.430 38.902) 38.907 9.384 ( -3.301 -3.301 5.363) 7.110 9.754 ( 9.459 9.459 7.869) 15.520 9.851 ( 2.187 2.187 -22.615) 22.826 10.313 ( -10.346 -10.346 8.355) 16.848 10.613 ( 0.162 0.162 14.407) 14.409 10.874 ( -7.374 -7.374 12.662) 16.404 11.118 ( 2.889 2.889 2.529) 4.804 11.278 ( -4.781 -4.781 -2.315) 7.146 11.308 ( -3.554 -3.554 6.162) 7.952 11.392 ( 1.915 1.915 0.126) 2.711 11.466 ( -2.854 -2.854 8.026) 8.984 11.730 ( -3.099 -3.099 8.142) 9.247 11.802 ( -1.419 -1.419 -8.567) 8.799 11.940 ( 3.272 3.272 -1.170) 4.772 12.300 ( 3.337 3.337 -0.753) 4.778 12.356 ( 4.507 4.507 12.284) 13.839 12.360 ( -0.896 -0.896 0.215) 1.285 12.765 ( -0.179 -0.179 3.303) 3.313 12.910 ( -0.576 -0.576 -19.239) 19.256 12.992 ( 5.797 5.797 -7.855) 11.354 13.731 ( -3.027 -3.027 -1.054) 4.409 13.884 ( 0.053 0.053 2.361) 2.362 14.245 ( -2.176 -2.176 -6.734) 7.403 14.259 ( 1.129 1.129 -0.662) 1.729 14.412 ( 7.655 7.655 -11.454) 15.760 14.745 ( -0.324 -0.324 -3.589) 3.618 14.831 ( 0.093 0.093 -7.618) 7.619 14.871 ( 1.983 1.983 -3.969) 4.860 14.988 ( 7.472 7.472 -11.551) 15.655 15.279 ( -5.000 -5.000 5.842) 9.172 15.631 ( 2.332 2.332 -6.479) 7.270 15.869 ( 4.247 4.247 -15.391) 16.521 15.895 ( 8.570 8.570 3.841) 12.714 16.144 ( 2.917 2.917 -4.411) 6.040 16.210 ( 1.531 1.531 -21.191) 21.301 17.018 ( -3.274 -3.274 7.425) 8.750 17.499 ( -18.294 -18.294 6.147) 26.592 17.858 ( -5.975 -5.975 -3.729) 9.237 18.085 ( 0.727 0.727 -3.374) 3.527 18.179 ( 5.714 5.714 -0.200) 8.083 18.532 ( -4.140 -4.140 -1.757) 6.112 22.411 ( 1.572 1.572 -0.683) 2.326 22.650 ( -0.409 -0.409 -0.340) 0.671 22.665 ( 3.916 3.916 -3.030) 6.313 23.158 ( 25.451 25.451 -21.239) 41.792 23.439 ( -2.265 -2.265 14.318) 14.672 25.672 ( -13.525 -13.525 -11.069) 22.100 27.104 ( -0.033 -0.033 3.356) 3.356 27.120 ( -0.275 -0.275 -0.800) 0.889 ======================= Grid point 173 (37/90) ======================= q-point: ( 0.25 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 2.113 ( 20.095 6.181 24.539) 32.313 2.268 ( 21.737 12.203 20.130) 32.040 3.224 ( 27.782 14.225 23.075) 38.815 3.547 ( -12.825 -8.543 -2.303) 15.581 3.890 ( -14.364 8.444 1.052) 16.695 4.216 ( 4.440 -5.369 2.824) 7.518 6.932 ( -2.811 -12.822 -4.988) 14.042 7.107 ( -5.025 -16.095 -0.941) 16.887 7.544 ( 5.152 10.556 -9.737) 15.258 7.696 ( 2.874 -1.341 -8.274) 8.862 7.876 ( -6.326 -3.257 8.595) 11.157 8.350 ( -2.298 0.223 13.893) 14.084 8.561 ( -3.763 5.275 8.289) 10.521 8.643 ( 4.444 8.927 3.827) 10.681 8.918 ( 6.679 -2.371 17.133) 18.541 9.129 ( -0.111 5.331 8.278) 9.847 9.348 ( 0.787 2.496 27.115) 27.241 9.369 ( 2.059 -3.476 11.091) 11.804 9.858 ( -1.888 -2.496 -18.984) 19.240 9.952 ( 9.716 5.108 6.305) 12.659 10.111 ( -9.301 -5.290 7.028) 12.801 10.628 ( 0.680 -0.778 11.776) 11.821 10.710 ( -8.677 -7.243 12.689) 16.993 11.048 ( -12.113 5.825 3.922) 14.001 11.147 ( -4.989 -2.907 6.593) 8.764 11.187 ( -7.020 1.471 2.977) 7.766 11.393 ( -2.160 -8.125 6.698) 10.749 11.483 ( 1.776 -8.275 -5.988) 10.368 11.755 ( 4.521 8.470 0.172) 9.603 11.854 ( 7.610 5.728 0.195) 9.527 12.017 ( 4.211 -0.803 -3.951) 5.830 12.246 ( -3.248 6.400 -2.541) 7.614 12.381 ( -1.019 -2.235 4.097) 4.776 12.444 ( 3.206 2.294 10.134) 10.874 12.791 ( 3.157 -3.330 1.826) 4.939 12.910 ( 0.462 -0.744 -15.550) 15.574 13.138 ( 9.195 7.140 -1.939) 11.802 13.702 ( -0.190 -2.840 -2.571) 3.835 13.845 ( -3.844 3.565 2.224) 5.695 14.175 ( -2.310 -0.396 -7.684) 8.034 14.269 ( -2.700 -2.596 -4.166) 5.602 14.530 ( 5.869 1.033 -5.234) 7.932 14.715 ( -2.994 2.717 -3.568) 5.392 14.829 ( -0.535 -1.587 -3.815) 4.166 14.896 ( 0.194 -0.379 -0.419) 0.597 15.005 ( -7.325 -9.076 -2.232) 11.875 15.379 ( 15.814 10.395 -8.603) 20.788 15.692 ( 3.815 3.024 -13.903) 14.731 15.958 ( 4.228 -0.746 -15.712) 16.288 16.070 ( 9.162 4.963 1.320) 10.503 16.213 ( 4.065 2.678 -4.414) 6.571 16.272 ( 5.186 3.240 -14.309) 15.560 16.903 ( -9.124 -0.625 3.240) 9.702 17.186 ( -12.872 -14.097 8.101) 20.737 17.755 ( -4.572 -11.602 -4.037) 13.108 18.031 ( -6.340 -0.460 -4.859) 8.001 18.273 ( 4.511 10.149 0.402) 11.114 18.475 ( -1.827 -0.048 0.208) 1.839 22.442 ( 1.813 2.361 -0.044) 2.977 22.624 ( -2.001 0.956 0.023) 2.218 22.768 ( 6.770 2.185 -0.479) 7.130 23.344 ( -5.122 1.808 10.157) 11.518 23.710 ( 27.475 8.176 -21.620) 35.905 25.349 ( -19.423 -8.858 -8.394) 22.938 27.102 ( 0.115 0.185 0.369) 0.429 27.125 ( 0.491 -1.118 -0.720) 1.418 ======================= Grid point 174 (38/90) ======================= q-point: ( 0.38 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 2.516 ( 21.838 2.259 15.712) 26.998 2.708 ( 24.184 10.112 13.047) 29.280 3.269 ( -16.578 -5.273 1.602) 17.470 3.567 ( -19.247 8.677 3.254) 21.362 3.725 ( 23.502 7.847 14.780) 28.851 4.237 ( -2.989 -1.737 5.608) 6.588 6.900 ( -0.259 -21.096 0.240) 21.099 7.012 ( -4.854 -25.043 1.847) 25.576 7.569 ( -0.175 -0.297 1.138) 1.189 7.742 ( -6.474 -0.028 1.016) 6.553 7.853 ( 10.984 5.524 -2.624) 12.571 8.303 ( -5.774 10.612 7.387) 14.160 8.486 ( -0.254 4.848 11.404) 12.394 8.661 ( -2.143 8.850 11.863) 14.955 9.097 ( 8.916 -0.795 11.699) 14.731 9.160 ( 3.902 1.258 6.659) 7.820 9.371 ( 1.466 6.497 17.793) 18.999 9.423 ( 1.917 0.309 6.483) 6.768 9.781 ( -3.209 -7.760 -10.481) 13.430 9.958 ( -6.949 -4.284 4.679) 9.409 10.131 ( 8.110 4.362 9.053) 12.913 10.504 ( -11.290 -3.541 4.311) 12.593 10.675 ( 2.486 0.613 13.778) 14.014 10.867 ( -6.644 0.192 7.627) 10.117 11.014 ( -7.516 6.204 10.301) 14.181 11.052 ( -5.186 -0.007 3.353) 6.175 11.404 ( 1.524 -7.092 -2.768) 7.764 11.468 ( -1.981 -8.163 -8.450) 11.915 11.859 ( 5.715 7.012 -1.543) 9.177 11.968 ( 1.848 5.806 -2.449) 6.567 12.131 ( 7.527 0.821 -1.379) 7.696 12.232 ( 2.755 3.231 1.840) 4.628 12.315 ( -4.609 0.248 0.710) 4.670 12.467 ( -1.521 2.830 11.160) 11.613 12.859 ( 3.259 -4.030 -0.213) 5.187 12.916 ( -0.035 -1.676 -10.113) 10.251 13.321 ( 9.844 7.693 1.985) 12.650 13.652 ( -6.641 3.745 1.170) 7.714 13.829 ( 4.291 -0.795 -3.338) 5.494 14.115 ( -6.741 -3.044 -6.946) 10.147 14.245 ( 3.772 0.319 -4.711) 6.044 14.578 ( -7.432 0.757 -3.049) 8.069 14.662 ( 3.351 -2.211 -2.586) 4.775 14.802 ( -2.409 -3.091 -2.551) 4.676 14.883 ( -2.020 -3.351 5.848) 7.036 14.890 ( -2.208 -1.592 -3.343) 4.311 15.672 ( 12.515 6.173 -13.610) 19.493 15.765 ( 3.557 2.537 -17.361) 17.902 16.025 ( 4.232 -1.969 -15.446) 16.136 16.213 ( 5.081 2.194 -0.837) 5.597 16.283 ( 2.838 2.686 -3.824) 5.468 16.348 ( -0.233 3.786 -7.033) 7.990 16.754 ( -2.529 -1.664 -0.680) 3.103 16.999 ( -8.588 -7.809 5.258) 12.742 17.704 ( -0.374 -14.477 -4.284) 15.102 17.883 ( -8.307 -6.658 -4.947) 11.739 18.350 ( 3.605 11.446 0.656) 12.018 18.447 ( -1.594 6.241 0.744) 6.485 22.481 ( 2.327 2.310 0.081) 3.280 22.580 ( -2.629 1.521 0.083) 3.038 22.912 ( 8.270 1.770 2.792) 8.906 23.223 ( -7.451 1.109 9.120) 11.829 24.184 ( 22.864 2.139 -18.499) 29.488 24.971 ( -20.280 -4.954 -9.350) 22.875 27.111 ( 0.743 -0.416 -1.420) 1.656 27.131 ( 0.025 -1.134 -1.506) 1.885 ======================= Grid point 175 (39/90) ======================= q-point: (-0.50 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 2.912 ( -19.316 -1.597 8.048) 20.987 2.912 ( 19.316 -1.597 8.048) 20.987 3.167 ( -22.237 9.363 6.986) 25.119 3.167 ( 22.237 9.363 6.986) 25.119 4.082 ( -13.719 2.458 9.220) 16.712 4.082 ( 13.719 2.458 9.220) 16.712 6.931 ( -3.363 -26.232 3.121) 26.630 6.931 ( 3.363 -26.232 3.121) 26.630 7.615 ( -5.322 -2.948 2.388) 6.536 7.615 ( 5.322 -2.948 2.388) 6.536 8.097 ( -13.459 11.607 0.345) 17.776 8.097 ( 13.459 11.607 0.345) 17.776 8.575 ( -6.403 8.053 14.108) 17.461 8.575 ( 6.403 8.053 14.108) 17.461 9.201 ( -2.186 -2.520 11.016) 11.510 9.201 ( 2.186 -2.520 11.016) 11.510 9.407 ( -2.402 6.226 4.532) 8.067 9.407 ( 2.402 6.226 4.532) 8.067 9.822 ( -6.547 -6.502 1.161) 9.300 9.822 ( 6.547 -6.502 1.161) 9.300 10.294 ( -9.980 2.159 6.864) 12.304 10.294 ( 9.980 2.159 6.864) 12.304 10.751 ( -5.565 -0.371 11.197) 12.509 10.751 ( 5.565 -0.371 11.197) 12.509 10.974 ( -2.379 3.387 5.252) 6.687 10.974 ( 2.379 3.387 5.252) 6.687 11.433 ( -1.662 -6.753 -6.702) 9.658 11.433 ( 1.662 -6.753 -6.702) 9.658 11.947 ( -3.309 4.992 -2.817) 6.618 11.947 ( 3.309 4.992 -2.817) 6.618 12.222 ( -3.852 0.905 -2.415) 4.635 12.222 ( 3.852 0.905 -2.415) 4.635 12.374 ( -7.858 3.595 9.151) 12.586 12.374 ( 7.858 3.595 9.151) 12.586 12.903 ( -1.466 -3.112 -4.359) 5.553 12.903 ( 1.466 -3.112 -4.359) 5.553 13.499 ( -8.962 6.957 2.516) 11.621 13.499 ( 8.962 6.957 2.516) 11.621 13.961 ( -8.493 -2.548 -5.458) 10.412 13.961 ( 8.493 -2.548 -5.458) 10.412 14.386 ( -10.110 -0.280 -3.722) 10.777 14.386 ( 10.110 -0.280 -3.722) 10.777 14.742 ( -3.867 -4.004 -2.046) 5.930 14.742 ( 3.867 -4.004 -2.046) 5.930 14.869 ( -0.614 -0.711 1.499) 1.769 14.869 ( 0.614 -0.711 1.499) 1.769 15.796 ( -1.398 2.906 -18.045) 18.331 15.796 ( 1.398 2.906 -18.045) 18.331 16.167 ( -9.461 -0.731 -7.137) 11.874 16.167 ( 9.461 -0.731 -7.137) 11.874 16.314 ( -0.954 4.042 -3.507) 5.436 16.314 ( 0.954 4.042 -3.507) 5.436 16.837 ( -8.289 -3.679 0.780) 9.103 16.837 ( 8.289 -3.679 0.780) 9.103 17.750 ( -5.152 -12.490 -4.584) 14.268 17.750 ( 5.152 -12.490 -4.584) 14.268 18.408 ( -2.528 10.251 0.796) 10.588 18.408 ( 2.528 10.251 0.796) 10.588 22.529 ( -2.681 1.955 0.094) 3.320 22.529 ( 2.681 1.955 0.094) 3.320 23.071 ( -8.442 1.420 6.220) 10.581 23.071 ( 8.442 1.420 6.220) 10.581 24.588 ( -20.496 -1.687 -13.199) 24.437 24.588 ( 20.496 -1.687 -13.199) 24.437 27.125 ( -0.613 -0.889 -1.947) 2.226 27.125 ( 0.613 -0.889 -1.947) 2.226 ======================= Grid point 182 (40/90) ======================= q-point: ( 0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 2.321 ( 14.940 14.940 22.784) 31.073 2.550 ( 17.521 17.521 16.968) 30.032 3.382 ( -9.154 -9.154 -0.550) 12.958 3.562 ( 19.913 19.913 13.588) 31.267 3.932 ( -7.719 -7.719 7.933) 13.494 4.163 ( 2.903 2.903 -2.307) 4.709 6.697 ( -11.821 -11.821 -1.009) 16.748 6.791 ( -15.542 -15.542 2.826) 22.161 7.534 ( -8.391 -8.391 6.369) 13.468 7.788 ( -7.967 -7.967 4.561) 12.155 7.813 ( 13.858 13.858 -7.647) 21.038 8.411 ( 6.562 6.562 13.837) 16.661 8.622 ( 1.472 1.472 10.779) 10.979 8.872 ( 0.501 0.501 24.015) 24.025 8.878 ( 9.423 9.423 -12.871) 18.527 9.228 ( 3.031 3.031 13.666) 14.322 9.294 ( 0.084 0.084 8.928) 8.929 9.432 ( 4.809 4.809 20.057) 21.179 9.763 ( -7.403 -7.403 -17.922) 20.756 9.992 ( -6.705 -6.705 6.950) 11.756 10.076 ( 7.296 7.296 6.627) 12.263 10.580 ( -5.934 -5.934 5.076) 9.808 10.634 ( 0.679 0.679 7.963) 8.021 10.994 ( -8.575 -8.575 12.500) 17.416 11.102 ( -2.976 -2.976 -3.999) 5.805 11.230 ( 0.432 0.432 3.509) 3.562 11.303 ( -2.474 -2.474 13.312) 13.764 11.335 ( -4.390 -4.390 -9.944) 11.723 11.928 ( 5.724 5.724 -4.868) 9.446 11.959 ( 9.441 9.441 7.803) 15.464 12.037 ( 2.423 2.423 -4.183) 5.407 12.272 ( -2.620 -2.620 0.771) 3.784 12.389 ( 1.427 1.427 1.866) 2.749 12.514 ( 4.343 4.343 9.706) 11.486 12.730 ( -1.639 -1.639 0.914) 2.491 12.902 ( -0.442 -0.442 -12.972) 12.987 13.309 ( 10.329 10.329 0.749) 14.627 13.677 ( 0.521 0.521 -3.650) 3.724 13.884 ( -0.043 -0.043 1.354) 1.356 14.140 ( -3.003 -3.003 -8.445) 9.453 14.216 ( -2.587 -2.587 -2.573) 4.473 14.547 ( 1.024 1.024 -2.954) 3.290 14.754 ( -0.367 -0.367 -6.318) 6.339 14.793 ( -10.853 -10.853 2.908) 15.622 14.803 ( -0.531 -0.531 2.990) 3.082 14.909 ( 0.045 0.045 -1.361) 1.363 15.605 ( 13.062 13.062 -8.524) 20.344 15.757 ( 3.462 3.462 -18.802) 19.429 15.950 ( -0.005 -0.005 -17.927) 17.927 16.178 ( 5.858 5.858 1.149) 8.363 16.277 ( 3.787 3.787 -4.584) 7.050 16.365 ( 6.121 6.121 -11.302) 14.237 16.879 ( -3.868 -3.868 1.888) 5.786 16.908 ( -12.164 -12.164 6.091) 18.249 17.548 ( -9.450 -9.450 -5.380) 14.406 17.930 ( -9.730 -9.730 -7.543) 15.692 18.439 ( 7.190 7.190 0.689) 10.191 18.516 ( 3.724 3.724 1.369) 5.442 22.488 ( 2.287 2.287 2.520) 4.100 22.630 ( -0.581 -0.581 2.555) 2.684 22.841 ( 5.559 5.559 -0.444) 7.875 23.330 ( -3.211 -3.211 11.296) 12.174 23.946 ( 15.428 15.428 -23.208) 31.854 25.127 ( -14.042 -14.042 -7.939) 21.387 27.106 ( -0.044 -0.044 -0.643) 0.646 27.106 ( -0.400 -0.400 -2.866) 2.922 ======================= Grid point 183 (41/90) ======================= q-point: ( 0.38 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 2.632 ( 17.002 9.481 16.950) 25.812 2.916 ( 20.643 11.742 13.105) 27.124 3.191 ( -11.240 -3.352 3.356) 12.199 3.678 ( -16.910 1.625 8.174) 18.852 3.920 ( 16.601 11.843 6.554) 21.420 4.224 ( 0.953 1.101 -0.328) 1.493 6.508 ( -7.323 -19.613 3.974) 21.309 6.553 ( -9.401 -22.325 5.464) 24.832 7.424 ( -2.381 -9.690 9.313) 13.649 7.606 ( -9.938 -10.704 7.300) 16.329 8.085 ( 14.664 14.361 -3.095) 20.757 8.564 ( 0.605 13.801 12.634) 18.720 8.581 ( 1.179 4.920 9.827) 11.053 8.810 ( -3.086 6.391 15.789) 17.311 9.063 ( 6.151 -2.603 -0.825) 6.730 9.228 ( -0.625 4.732 8.233) 9.516 9.405 ( 7.638 -2.428 10.897) 13.527 9.511 ( 2.813 7.297 9.731) 12.484 9.641 ( -2.739 -5.207 -8.608) 10.426 9.853 ( -8.122 -6.532 5.178) 11.638 10.210 ( 6.530 4.067 3.136) 8.307 10.457 ( -7.019 -1.481 -3.783) 8.110 10.667 ( 2.525 -2.070 5.826) 6.679 10.834 ( -7.320 -3.051 11.678) 14.116 11.036 ( -2.290 2.029 0.780) 3.158 11.168 ( -7.370 5.176 0.355) 9.013 11.261 ( 2.601 -6.598 6.817) 9.837 11.344 ( -0.026 -4.970 -1.675) 5.245 11.992 ( 2.845 6.961 -2.434) 7.904 12.072 ( 0.532 5.309 -2.507) 5.895 12.169 ( 9.493 3.217 3.987) 10.787 12.235 ( -0.442 -1.485 -0.648) 1.679 12.392 ( 0.260 5.255 3.576) 6.361 12.543 ( -1.417 5.483 11.368) 12.700 12.762 ( 3.793 -5.549 -0.777) 6.766 12.882 ( -1.826 -2.009 -8.830) 9.237 13.504 ( 9.830 10.902 1.964) 14.810 13.719 ( 2.577 2.586 -3.316) 4.932 13.844 ( -2.362 2.808 -0.479) 3.701 14.062 ( -6.536 -2.254 -7.057) 9.879 14.203 ( 2.961 -4.809 -3.130) 6.457 14.545 ( -12.978 -7.573 -0.893) 15.052 14.584 ( 2.971 -3.240 -0.783) 4.465 14.722 ( -3.331 -5.091 -2.868) 6.726 14.832 ( 2.335 0.660 4.018) 4.694 14.904 ( -0.920 1.306 3.223) 3.598 15.815 ( 3.156 3.348 -19.933) 20.457 15.827 ( 6.983 8.527 -12.349) 16.552 15.983 ( 5.802 -2.086 -14.543) 15.796 16.261 ( 1.553 2.885 0.229) 3.285 16.347 ( 3.419 3.705 -4.146) 6.527 16.448 ( 0.051 6.312 -7.357) 9.694 16.702 ( -3.836 -4.128 -0.209) 5.639 16.837 ( -3.709 -8.010 1.577) 8.967 17.434 ( -1.637 -13.070 -7.089) 14.959 17.710 ( -12.422 -11.188 -8.124) 18.587 18.545 ( 4.076 8.713 0.739) 9.648 18.578 ( 2.280 6.881 1.007) 7.319 22.528 ( 2.103 2.397 3.701) 4.885 22.606 ( -1.790 0.920 3.644) 4.163 22.967 ( 7.437 4.076 1.985) 8.710 23.239 ( -6.107 0.237 8.646) 10.588 24.248 ( 16.070 4.581 -18.488) 24.921 24.843 ( -15.615 -8.270 -9.525) 20.073 27.101 ( 0.090 -0.542 -3.446) 3.489 27.109 ( 0.001 -1.003 -2.982) 3.146 ======================= Grid point 184 (42/90) ======================= q-point: (-0.50 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 2.936 ( -14.684 3.574 9.834) 18.031 2.936 ( 14.684 3.574 9.834) 18.031 3.320 ( -20.437 6.343 9.634) 23.467 3.320 ( 20.437 6.343 9.634) 23.467 4.159 ( -8.171 5.438 2.303) 10.081 4.159 ( 8.171 5.438 2.303) 10.081 6.449 ( -1.326 -23.730 6.341) 24.598 6.449 ( 1.326 -23.730 6.341) 24.598 7.454 ( -5.395 -10.621 8.972) 14.913 7.454 ( 5.395 -10.621 8.972) 14.913 8.357 ( -13.751 13.371 2.395) 19.329 8.357 ( 13.751 13.371 2.395) 19.329 8.731 ( -6.342 7.681 16.272) 19.079 8.731 ( 6.342 7.681 16.272) 19.079 9.161 ( -5.363 -2.129 3.475) 6.736 9.161 ( 5.363 -2.129 3.475) 6.736 9.518 ( -2.679 4.397 7.185) 8.839 9.518 ( 2.679 4.397 7.185) 8.839 9.697 ( -7.288 -5.128 0.799) 8.947 9.697 ( 7.288 -5.128 0.799) 8.947 10.328 ( -6.405 1.322 -2.020) 6.845 10.328 ( 6.405 1.322 -2.020) 6.845 10.728 ( -4.128 -2.013 7.498) 8.793 10.728 ( 4.128 -2.013 7.498) 8.793 11.053 ( -4.081 4.440 2.127) 6.394 11.053 ( 4.081 4.440 2.127) 6.394 11.315 ( -2.641 -5.011 1.768) 5.934 11.315 ( 2.641 -5.011 1.768) 5.934 12.046 ( -2.660 5.681 -0.848) 6.330 12.046 ( 2.660 5.681 -0.848) 6.330 12.245 ( -0.897 0.934 -2.938) 3.210 12.245 ( 0.897 0.934 -2.938) 3.210 12.467 ( -6.222 5.780 10.791) 13.732 12.467 ( 6.222 5.780 10.791) 13.732 12.832 ( -3.377 -4.031 -4.096) 6.666 12.832 ( 3.377 -4.031 -4.096) 6.666 13.666 ( -7.033 9.989 0.750) 12.239 13.666 ( 7.033 9.989 0.750) 12.239 13.913 ( -7.970 -2.010 -4.614) 9.426 13.913 ( 7.970 -2.010 -4.614) 9.426 14.326 ( -9.607 -6.496 -2.688) 11.904 14.326 ( 9.607 -6.496 -2.688) 11.904 14.652 ( -3.909 -5.195 -0.919) 6.566 14.652 ( 3.909 -5.195 -0.919) 6.566 14.875 ( -2.053 1.520 3.989) 4.737 14.875 ( 2.053 1.520 3.989) 4.737 15.857 ( -1.374 2.725 -19.593) 19.830 15.857 ( 1.374 2.725 -19.593) 19.830 16.171 ( -10.384 1.737 -3.872) 11.218 16.171 ( 10.384 1.737 -3.872) 11.218 16.401 ( -2.486 4.767 -4.195) 6.819 16.401 ( 2.486 4.767 -4.195) 6.819 16.748 ( -5.223 -5.297 -1.310) 7.553 16.748 ( 5.223 -5.297 -1.310) 7.553 17.503 ( -8.368 -12.907 -8.056) 17.364 17.503 ( 8.368 -12.907 -8.056) 17.364 18.592 ( -0.881 8.571 0.782) 8.652 18.592 ( 0.881 8.571 0.782) 8.652 22.568 ( -2.106 1.887 3.943) 4.852 22.568 ( 2.106 1.887 3.943) 4.852 23.109 ( -7.447 2.480 5.354) 9.501 23.109 ( 7.447 2.480 5.354) 9.501 24.547 ( -15.748 -2.510 -13.284) 20.755 24.547 ( 15.748 -2.510 -13.284) 20.755 27.106 ( -0.265 -0.990 -3.780) 3.916 27.106 ( 0.265 -0.990 -3.780) 3.916 ======================= Grid point 192 (43/90) ======================= q-point: ( 0.38 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 2.838 ( 11.194 11.194 15.668) 22.274 3.126 ( -3.965 -3.965 6.735) 8.764 3.151 ( 13.068 13.068 11.508) 21.771 3.609 ( -8.263 -8.263 10.787) 15.903 4.134 ( 9.880 9.880 -0.206) 13.974 4.269 ( 2.303 2.303 -3.993) 5.152 6.196 ( -12.377 -12.377 7.699) 19.123 6.210 ( -13.231 -13.231 8.448) 20.530 7.285 ( -4.169 -4.169 12.220) 13.569 7.407 ( -9.432 -9.432 10.881) 17.214 8.348 ( 13.304 13.304 2.381) 18.964 8.649 ( 1.117 1.117 14.854) 14.937 8.758 ( 6.663 6.663 20.843) 22.874 8.882 ( -0.019 -0.019 24.458) 24.458 9.034 ( 1.313 1.313 -15.698) 15.808 9.250 ( -6.256 -6.256 1.258) 8.937 9.371 ( 4.574 4.574 6.996) 9.528 9.614 ( 0.292 0.292 -0.822) 0.920 9.634 ( 4.625 4.625 4.510) 7.945 9.728 ( -5.574 -5.574 1.535) 8.030 10.281 ( 3.415 3.415 -5.275) 7.152 10.426 ( -2.927 -2.927 -12.043) 12.734 10.627 ( 0.074 0.074 5.906) 5.907 10.773 ( -3.846 -3.846 12.669) 13.787 11.076 ( 1.278 1.278 -9.756) 9.922 11.181 ( -3.181 -3.181 -13.659) 14.381 11.204 ( 1.459 1.459 18.529) 18.643 11.295 ( -0.868 -0.868 15.595) 15.643 12.090 ( 3.466 3.466 -2.016) 5.301 12.183 ( 4.355 4.355 -4.662) 7.724 12.194 ( -0.643 -0.643 5.700) 5.773 12.251 ( 3.661 3.661 -0.428) 5.196 12.469 ( 3.556 3.556 6.938) 8.568 12.635 ( 0.879 0.879 8.738) 8.826 12.688 ( 0.489 0.489 1.542) 1.690 12.836 ( -2.999 -2.999 -4.723) 6.348 13.704 ( 9.632 9.632 1.220) 13.677 13.775 ( 4.476 4.476 -3.997) 7.487 13.892 ( 0.696 0.696 -2.202) 2.412 14.042 ( -2.150 -2.150 -8.163) 8.711 14.092 ( -3.528 -3.528 -0.869) 5.065 14.345 ( -11.326 -11.326 -0.240) 16.019 14.543 ( -1.219 -1.219 -0.316) 1.752 14.630 ( -4.633 -4.633 -1.618) 6.749 14.872 ( 2.682 2.682 6.076) 7.163 14.925 ( 0.506 0.506 7.241) 7.276 15.850 ( 1.374 1.374 -21.460) 21.548 15.914 ( -1.504 -1.504 -19.925) 20.038 16.051 ( 10.431 10.431 -4.159) 15.327 16.307 ( 0.850 0.850 1.395) 1.841 16.415 ( 3.564 3.564 -4.189) 6.554 16.556 ( 2.650 2.650 -7.827) 8.678 16.598 ( -4.193 -4.193 0.539) 5.955 16.726 ( -4.326 -4.326 -2.096) 6.467 17.255 ( -4.565 -4.565 -11.243) 12.965 17.484 ( -12.093 -12.093 -10.864) 20.260 18.671 ( 4.625 4.625 0.674) 6.575 18.683 ( 3.904 3.904 0.766) 5.574 22.567 ( 1.698 1.698 6.216) 6.664 22.610 ( -0.429 -0.429 6.217) 6.246 23.058 ( 5.339 5.339 2.961) 8.110 23.221 ( -2.287 -2.287 7.516) 8.182 24.356 ( 6.876 6.876 -16.614) 19.250 24.674 ( -9.311 -9.311 -10.869) 17.074 27.092 ( -0.307 -0.307 -5.217) 5.235 27.096 ( -0.403 -0.403 -4.576) 4.612 ======================= Grid point 193 (44/90) ======================= q-point: (-0.50 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 3.020 ( -7.629 4.439 11.466) 14.470 3.020 ( 7.629 4.439 11.466) 14.470 3.401 ( -12.893 2.421 10.568) 16.846 3.401 ( 12.893 2.421 10.568) 16.846 4.264 ( -3.483 4.841 -3.475) 6.902 4.264 ( 3.483 4.841 -3.475) 6.902 6.078 ( -0.359 -14.516 9.470) 17.335 6.078 ( 0.359 -14.516 9.470) 17.335 7.280 ( -3.523 -7.025 12.629) 14.875 7.280 ( 3.523 -7.025 12.629) 14.875 8.569 ( -9.270 8.862 11.018) 16.907 8.569 ( 9.270 8.862 11.018) 16.907 8.845 ( -3.022 4.072 21.777) 22.359 8.845 ( 3.022 4.072 21.777) 22.359 9.111 ( -6.294 -2.981 -6.100) 9.258 9.111 ( 6.294 -2.981 -6.100) 9.258 9.517 ( -8.545 -3.012 4.948) 10.324 9.517 ( 8.545 -3.012 4.948) 10.324 9.690 ( -1.028 2.690 -1.536) 3.264 9.690 ( 1.028 2.690 -1.536) 3.264 10.350 ( -4.164 1.132 -11.356) 12.148 10.350 ( 4.164 1.132 -11.356) 12.148 10.686 ( -4.858 -2.114 9.071) 10.505 10.686 ( 4.858 -2.114 9.071) 10.505 11.113 ( -3.100 1.346 -10.645) 11.168 11.113 ( 3.100 1.346 -10.645) 11.168 11.261 ( -2.972 -0.575 17.132) 17.397 11.261 ( 2.972 -0.575 17.132) 17.397 12.146 ( -2.703 3.683 1.198) 4.723 12.146 ( 2.703 3.683 1.198) 4.723 12.264 ( -2.518 1.798 -3.204) 4.454 12.264 ( 2.518 1.798 -3.204) 4.454 12.563 ( -5.859 3.786 8.458) 10.964 12.563 ( 5.859 3.786 8.458) 10.964 12.764 ( -4.595 -2.879 0.772) 5.477 12.764 ( 4.595 -2.879 0.772) 5.477 13.844 ( -4.504 7.901 -1.385) 9.200 13.844 ( 4.504 7.901 -1.385) 9.200 13.906 ( -7.686 1.918 -4.146) 8.941 13.906 ( 7.686 1.918 -4.146) 8.941 14.163 ( -7.431 -9.748 -2.588) 12.528 14.163 ( 7.431 -9.748 -2.588) 12.528 14.557 ( -2.713 -4.515 -0.223) 5.272 14.557 ( 2.713 -4.515 -0.223) 5.272 14.915 ( -1.590 2.124 7.993) 8.421 14.915 ( 1.590 2.124 7.993) 8.421 15.878 ( -1.768 -0.205 -20.811) 20.887 15.878 ( 1.768 -0.205 -20.811) 20.887 16.240 ( -8.076 4.865 -0.453) 9.439 16.240 ( 8.076 4.865 -0.453) 9.439 16.484 ( -3.915 3.883 -3.813) 6.704 16.484 ( 3.915 3.883 -3.813) 6.704 16.649 ( -3.881 -4.931 -3.582) 7.226 16.649 ( 3.881 -4.931 -3.582) 7.226 17.288 ( -7.397 -9.059 -12.777) 17.321 17.288 ( 7.397 -9.059 -12.777) 17.321 18.718 ( -0.303 4.608 0.635) 4.662 18.718 ( 0.303 4.608 0.635) 4.662 22.594 ( -1.177 0.829 6.995) 7.142 22.594 ( 1.177 0.829 6.995) 7.142 23.155 ( -4.555 2.015 5.333) 7.297 23.155 ( 4.555 2.015 5.333) 7.297 24.503 ( -8.586 -1.870 -13.528) 16.132 24.503 ( 8.586 -1.870 -13.528) 16.132 27.091 ( -0.128 -0.528 -5.570) 5.596 27.091 ( 0.128 -0.528 -5.570) 5.596 ======================= Grid point 206 (45/90) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 3.068 ( 0.000 0.000 12.377) 12.377 3.068 ( 0.000 0.000 12.377) 12.377 3.422 ( 0.000 0.000 9.925) 9.925 3.422 ( 0.000 0.000 9.925) 9.925 4.314 ( 0.000 0.000 -5.336) 5.336 4.314 ( 0.000 0.000 -5.336) 5.336 5.936 ( 0.000 0.000 10.823) 10.823 5.936 ( 0.000 0.000 10.823) 10.823 7.211 ( 0.000 0.000 13.951) 13.951 7.211 ( 0.000 0.000 13.951) 13.951 8.664 ( 0.000 0.000 19.121) 19.121 8.664 ( 0.000 0.000 19.121) 19.121 8.879 ( 0.000 0.000 24.046) 24.046 8.879 ( -0.000 -0.000 24.046) 24.046 9.076 ( 0.000 0.000 -13.831) 13.831 9.076 ( 0.000 0.000 -13.831) 13.831 9.482 ( 0.000 0.000 3.587) 3.587 9.482 ( 0.000 0.000 3.587) 3.587 9.721 ( 0.000 0.000 -3.003) 3.003 9.721 ( 0.000 0.000 -3.003) 3.003 10.364 ( 0.000 0.000 -16.233) 16.233 10.364 ( 0.000 0.000 -16.233) 16.233 10.663 ( -0.000 -0.000 11.451) 11.451 10.663 ( 0.000 0.000 11.451) 11.451 11.119 ( 0.000 0.000 -14.884) 14.884 11.119 ( 0.000 0.000 -14.884) 14.884 11.265 ( 0.000 0.000 22.322) 22.322 11.265 ( 0.000 0.000 22.322) 22.322 12.173 ( 0.000 0.000 1.129) 1.129 12.173 ( 0.000 0.000 1.129) 1.129 12.295 ( 0.000 0.000 -3.273) 3.273 12.295 ( 0.000 0.000 -3.273) 3.273 12.600 ( 0.000 0.000 4.104) 4.104 12.600 ( 0.000 0.000 4.104) 4.104 12.734 ( 0.000 0.000 7.200) 7.200 12.734 ( -0.000 -0.000 7.200) 7.200 13.926 ( -0.000 -0.000 -2.015) 2.015 13.926 ( 0.000 0.000 -2.015) 2.015 13.984 ( 0.000 0.000 -9.348) 9.348 13.984 ( 0.000 0.000 -9.348) 9.348 14.006 ( -0.000 -0.000 1.877) 1.877 14.006 ( 0.000 0.000 1.877) 1.877 14.507 ( -0.000 -0.000 0.363) 0.363 14.507 ( 0.000 0.000 0.363) 0.363 14.937 ( 0.000 0.000 9.940) 9.940 14.937 ( 0.000 0.000 9.940) 9.940 15.872 ( 0.000 0.000 -21.032) 21.032 15.872 ( 0.000 0.000 -21.032) 21.032 16.300 ( -0.000 -0.000 1.271) 1.271 16.300 ( 0.000 0.000 1.271) 1.271 16.538 ( 0.000 0.000 -1.386) 1.386 16.538 ( 0.000 0.000 -1.386) 1.386 16.582 ( -0.000 -0.000 -6.517) 6.517 16.582 ( 0.000 0.000 -6.517) 6.517 17.196 ( 0.000 0.000 -15.702) 15.702 17.196 ( 0.000 0.000 -15.702) 15.702 18.762 ( 0.000 0.000 0.560) 0.560 18.762 ( 0.000 0.000 0.560) 0.560 22.601 ( 0.000 0.000 8.017) 8.017 22.601 ( 0.000 0.000 8.017) 8.017 23.175 ( 0.000 0.000 5.590) 5.590 23.175 ( 0.000 0.000 5.590) 5.590 24.484 ( 0.000 0.000 -13.687) 13.687 24.484 ( 0.000 0.000 -13.687) 13.687 27.086 ( 0.000 0.000 -6.295) 6.295 27.086 ( 0.000 0.000 -6.295) 6.295 ======================= Grid point 243 (46/90) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 2.284 ( -0.000 -0.000 32.513) 32.513 2.284 ( 0.000 -0.000 32.513) 32.513 3.138 ( -0.000 0.000 32.021) 32.021 3.956 ( 0.000 0.000 -5.730) 5.730 3.956 ( 0.000 0.000 -5.730) 5.730 4.034 ( 0.000 0.000 -2.325) 2.325 6.858 ( 0.000 0.000 -8.864) 8.864 6.858 ( -0.000 -0.000 -8.864) 8.864 7.175 ( 0.000 0.000 -17.400) 17.400 7.175 ( -0.000 -0.000 -17.400) 17.400 8.355 ( 0.000 0.000 7.144) 7.144 8.495 ( 0.000 0.000 11.615) 11.615 8.495 ( 0.000 0.000 11.615) 11.615 9.348 ( 0.000 0.000 -19.855) 19.855 9.393 ( -0.000 0.000 27.957) 27.957 9.442 ( -0.000 0.000 25.543) 25.543 9.474 ( -0.000 0.000 27.617) 27.617 9.495 ( 0.000 0.000 -1.621) 1.621 9.495 ( 0.000 0.000 -1.621) 1.621 10.317 ( 0.000 0.000 49.796) 49.796 10.899 ( 0.000 0.000 8.255) 8.255 10.899 ( 0.000 -0.000 8.255) 8.255 11.000 ( 0.000 -0.000 2.504) 2.504 11.177 ( 0.000 0.000 -1.046) 1.046 11.177 ( 0.000 0.000 -1.046) 1.046 11.218 ( 0.000 0.000 7.166) 7.166 11.610 ( 0.000 0.000 -16.642) 16.642 11.717 ( 0.000 0.000 9.600) 9.600 11.717 ( -0.000 0.000 9.600) 9.600 11.751 ( 0.000 0.000 -9.491) 9.491 12.104 ( 0.000 0.000 -3.953) 3.953 12.104 ( -0.000 -0.000 -3.953) 3.953 12.314 ( 0.000 0.000 -16.661) 16.661 12.393 ( 0.000 0.000 17.753) 17.753 12.457 ( -0.000 -0.000 -20.340) 20.340 12.914 ( -0.000 -0.000 19.597) 19.597 12.915 ( 0.000 0.000 10.377) 10.377 13.908 ( 0.000 0.000 -0.001) 0.001 13.908 ( 0.000 0.000 -0.001) 0.001 14.029 ( 0.000 0.000 6.178) 6.178 14.212 ( 0.000 0.000 -1.925) 1.925 14.212 ( -0.000 -0.000 -1.925) 1.925 14.536 ( 0.000 0.000 -16.741) 16.741 14.619 ( 0.000 0.000 -15.391) 15.391 14.657 ( 0.000 0.000 -6.112) 6.112 14.657 ( -0.000 0.000 -6.112) 6.112 15.169 ( -0.000 0.000 -29.505) 29.505 15.570 ( -0.000 -0.000 -35.415) 35.415 15.587 ( 0.000 0.000 2.938) 2.938 15.800 ( 0.000 0.000 8.791) 8.791 15.800 ( -0.000 0.000 8.791) 8.791 15.980 ( 0.000 0.000 -5.657) 5.657 17.342 ( -0.000 -0.000 13.487) 13.487 17.885 ( 0.000 0.000 -2.971) 2.971 17.885 ( 0.000 0.000 -2.971) 2.971 18.039 ( 0.000 0.000 -2.376) 2.376 18.039 ( 0.000 0.000 -2.376) 2.376 18.464 ( -0.000 -0.000 -10.660) 10.660 22.342 ( 0.000 0.000 -1.640) 1.640 22.342 ( 0.000 0.000 -1.640) 1.640 22.626 ( 0.000 0.000 -1.633) 1.633 22.626 ( -0.000 0.000 -1.633) 1.633 23.848 ( -0.000 -0.000 19.681) 19.681 25.586 ( 0.000 0.000 -19.867) 19.867 27.131 ( 0.000 0.000 0.603) 0.603 27.178 ( 0.000 0.000 1.942) 1.942 ======================= Grid point 244 (47/90) ======================= q-point: ( 0.12 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 2.363 ( 8.056 0.000 29.571) 30.649 2.377 ( 8.987 0.000 29.852) 31.175 3.265 ( 13.231 0.000 28.777) 31.673 3.824 ( -8.636 0.000 -4.315) 9.654 3.889 ( -6.970 0.000 -4.891) 8.515 4.173 ( 8.955 0.000 -1.864) 9.147 6.910 ( 5.440 0.000 -7.667) 9.401 6.917 ( 5.715 0.000 -8.245) 10.032 7.203 ( 3.138 0.000 -15.504) 15.819 7.216 ( 4.343 0.000 -16.351) 16.917 8.309 ( -5.585 0.000 9.380) 10.917 8.472 ( -1.748 0.000 7.987) 8.176 8.546 ( 5.023 0.000 10.732) 11.849 9.131 ( -15.627 0.000 12.759) 20.174 9.327 ( -6.517 0.000 -4.380) 7.852 9.400 ( 0.079 0.000 -6.064) 6.065 9.439 ( 1.147 0.000 33.199) 33.219 9.572 ( 4.475 0.000 14.795) 15.457 9.769 ( 15.808 0.000 6.084) 16.938 10.276 ( -4.057 0.000 46.891) 47.066 10.609 ( -17.001 0.000 7.777) 18.696 10.906 ( 0.367 0.000 9.012) 9.019 11.041 ( -5.462 0.000 2.932) 6.199 11.177 ( -0.093 0.000 -1.107) 1.111 11.231 ( 9.138 0.000 -0.711) 9.166 11.409 ( 11.377 0.000 7.146) 13.435 11.441 ( -15.187 0.000 -0.581) 15.198 11.599 ( -5.628 0.000 -9.494) 11.037 11.697 ( -0.257 0.000 7.411) 7.415 11.815 ( -3.302 0.000 -4.360) 5.469 12.014 ( -5.437 0.000 4.922) 7.335 12.088 ( -0.995 0.000 -3.581) 3.717 12.372 ( 5.735 0.000 -13.203) 14.395 12.470 ( 4.425 0.000 -3.661) 5.743 12.512 ( 6.723 0.000 -3.449) 7.556 12.888 ( -2.156 0.000 8.456) 8.726 12.997 ( 7.793 0.000 18.089) 19.696 13.807 ( -6.532 0.000 1.674) 6.743 13.908 ( -0.215 0.000 0.873) 0.899 14.126 ( -7.574 0.000 -3.486) 8.337 14.143 ( 5.377 0.000 -5.315) 7.560 14.288 ( 7.454 0.000 1.142) 7.541 14.577 ( 3.731 0.000 -14.864) 15.325 14.624 ( -1.831 0.000 -11.074) 11.224 14.672 ( 3.017 0.000 -9.002) 9.494 14.731 ( 9.283 0.000 -8.309) 12.458 15.202 ( 2.934 0.000 -26.920) 27.079 15.483 ( -8.658 0.000 6.775) 10.993 15.556 ( -0.767 0.000 -31.198) 31.207 15.887 ( 8.478 0.000 4.253) 9.485 15.894 ( 7.521 0.000 4.543) 8.787 16.013 ( 3.319 0.000 -5.226) 6.190 17.244 ( -10.241 0.000 9.909) 14.250 17.738 ( -13.305 0.000 -0.248) 13.308 17.872 ( -1.346 0.000 -3.110) 3.389 18.016 ( -2.300 0.000 -2.529) 3.418 18.064 ( 2.580 0.000 -1.150) 2.825 18.464 ( -0.554 0.000 -7.777) 7.797 22.351 ( 0.954 0.000 -1.646) 1.903 22.532 ( 14.576 0.000 -3.794) 15.061 22.613 ( -1.301 0.000 -1.641) 2.094 22.740 ( 14.856 0.000 -3.985) 15.381 23.813 ( -3.607 0.000 18.988) 19.327 25.476 ( -11.347 0.000 -18.156) 21.410 27.119 ( -1.176 0.000 0.237) 1.199 27.166 ( -1.071 0.000 1.483) 1.829 ======================= Grid point 245 (48/90) ======================= q-point: ( 0.25 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 2.569 ( 13.296 0.000 22.419) 26.065 2.590 ( 13.087 0.000 23.570) 26.960 3.579 ( 10.884 0.000 12.159) 16.319 3.671 ( -0.227 0.000 7.221) 7.225 3.704 ( -12.266 0.000 -2.488) 12.516 4.326 ( 6.573 0.000 1.053) 6.656 7.046 ( 7.589 0.000 -7.024) 10.340 7.051 ( 9.144 0.000 -4.272) 10.092 7.306 ( 8.088 0.000 -10.092) 12.933 7.328 ( 6.540 0.000 -13.139) 14.677 8.140 ( -11.647 0.000 10.168) 15.460 8.424 ( -4.507 0.000 3.048) 5.441 8.657 ( 5.700 0.000 9.531) 11.105 8.879 ( -10.001 0.000 13.510) 16.809 9.165 ( -8.047 0.000 -0.927) 8.100 9.407 ( -1.516 0.000 -14.972) 15.048 9.482 ( 3.708 0.000 31.083) 31.304 9.675 ( 6.710 0.000 15.250) 16.661 10.028 ( 8.828 0.000 13.342) 15.998 10.196 ( -1.511 0.000 34.492) 34.525 10.333 ( -11.817 0.000 9.641) 15.251 10.888 ( -3.463 0.000 9.353) 9.974 10.970 ( -1.946 0.000 2.812) 3.420 11.153 ( -13.445 0.000 8.647) 15.986 11.171 ( -0.585 0.000 -2.134) 2.213 11.277 ( -3.664 0.000 2.644) 4.518 11.473 ( -7.482 0.000 -12.052) 14.185 11.589 ( 8.138 0.000 4.038) 9.085 11.593 ( -15.995 0.000 2.198) 16.145 11.769 ( 5.945 0.000 -0.225) 5.949 12.014 ( 3.731 0.000 2.923) 4.740 12.104 ( 4.001 0.000 -0.690) 4.060 12.501 ( 6.889 0.000 -5.157) 8.605 12.537 ( -0.384 0.000 3.816) 3.835 12.617 ( 5.420 0.000 -5.721) 7.881 12.876 ( 1.361 0.000 2.975) 3.272 13.162 ( 8.691 0.000 12.839) 15.504 13.722 ( -1.844 0.000 -1.182) 2.191 13.853 ( -7.554 0.000 3.587) 8.362 14.026 ( -0.017 0.000 -6.023) 6.023 14.130 ( -5.000 0.000 -9.011) 10.305 14.462 ( 8.908 0.000 -2.407) 9.227 14.558 ( -5.069 0.000 -9.740) 10.980 14.658 ( 4.376 0.000 -11.229) 12.051 14.738 ( 3.747 0.000 -7.113) 8.039 14.988 ( 15.269 0.000 -14.990) 21.397 15.260 ( 2.903 0.000 -23.497) 23.675 15.301 ( -10.240 0.000 9.497) 13.967 15.573 ( 3.577 0.000 -24.956) 25.211 16.041 ( 7.611 0.000 0.528) 7.629 16.088 ( 11.695 0.000 0.763) 11.720 16.094 ( 4.829 0.000 -4.316) 6.477 16.986 ( -15.444 0.000 3.551) 15.847 17.467 ( -14.494 0.000 4.309) 15.121 17.841 ( -1.771 0.000 -3.432) 3.862 17.957 ( -3.799 0.000 -2.933) 4.800 18.127 ( 3.874 0.000 0.137) 3.877 18.432 ( -2.720 0.000 -3.835) 4.702 22.378 ( 1.842 0.000 -1.662) 2.482 22.579 ( -2.333 0.000 -1.659) 2.863 22.757 ( 11.161 0.000 0.897) 11.197 23.176 ( 25.249 0.000 -11.211) 27.626 23.730 ( -3.698 0.000 15.311) 15.751 25.181 ( -19.118 0.000 -14.992) 24.295 27.095 ( -1.017 0.000 -0.692) 1.230 27.145 ( -1.067 0.000 0.171) 1.080 ======================= Grid point 246 (49/90) ======================= q-point: ( 0.38 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 2.845 ( 15.555 0.000 14.145) 21.025 2.859 ( 15.223 0.000 15.567) 21.773 3.417 ( -12.922 0.000 1.219) 12.979 3.441 ( -15.160 0.000 1.381) 15.223 4.004 ( 18.820 0.000 15.203) 24.194 4.390 ( -0.569 0.000 4.852) 4.885 7.198 ( 8.362 0.000 -5.916) 10.244 7.245 ( 11.288 0.000 1.064) 11.338 7.408 ( 0.726 0.000 -9.079) 9.108 7.491 ( 9.126 0.000 -0.348) 9.132 7.917 ( -9.239 0.000 3.470) 9.869 8.258 ( -13.251 0.000 -0.137) 13.252 8.712 ( 0.908 0.000 11.835) 11.870 8.794 ( -0.488 0.000 11.778) 11.788 9.091 ( 0.949 0.000 -5.947) 6.022 9.323 ( -6.956 0.000 -13.217) 14.936 9.595 ( 8.539 0.000 27.600) 28.891 9.825 ( 8.908 0.000 13.600) 16.258 9.981 ( -8.434 0.000 31.858) 32.956 10.152 ( -8.203 0.000 11.197) 13.880 10.336 ( 10.652 0.000 10.908) 15.246 10.733 ( -11.602 0.000 10.530) 15.668 10.971 ( 2.097 0.000 3.790) 4.331 11.008 ( -2.140 0.000 12.549) 12.730 11.145 ( -3.459 0.000 3.459) 4.892 11.166 ( -6.801 0.000 4.061) 7.921 11.302 ( -8.721 0.000 -6.886) 11.112 11.361 ( -7.041 0.000 -7.569) 10.337 11.720 ( 5.538 0.000 -1.604) 5.765 11.828 ( 0.185 0.000 -4.437) 4.441 12.119 ( 7.129 0.000 4.810) 8.600 12.263 ( 11.649 0.000 3.219) 12.085 12.438 ( -8.102 0.000 9.416) 12.421 12.577 ( -0.188 0.000 2.679) 2.685 12.742 ( 6.823 0.000 -7.074) 9.828 12.897 ( -0.310 0.000 -0.226) 0.384 13.314 ( 7.955 0.000 4.629) 9.204 13.670 ( -10.396 0.000 2.162) 10.619 13.744 ( 3.991 0.000 -4.514) 6.025 14.003 ( -7.781 0.000 -8.529) 11.545 14.106 ( 7.275 0.000 -4.003) 8.304 14.435 ( -7.893 0.000 -8.426) 11.546 14.603 ( 6.149 0.000 -5.527) 8.267 14.715 ( 1.044 0.000 -7.986) 8.054 14.820 ( 5.198 0.000 -1.790) 5.497 15.109 ( -9.807 0.000 8.986) 13.301 15.207 ( 7.151 0.000 -25.199) 26.195 15.303 ( 1.136 0.000 -24.509) 24.535 15.734 ( 13.751 0.000 -12.484) 18.573 16.163 ( 4.843 0.000 -2.052) 5.259 16.178 ( 3.597 0.000 -3.452) 4.985 16.233 ( -0.831 0.000 -1.329) 1.567 16.775 ( -2.287 0.000 0.922) 2.466 17.193 ( -14.724 0.000 4.514) 15.401 17.816 ( -0.556 0.000 -3.713) 3.755 17.883 ( -3.737 0.000 -3.418) 5.064 18.205 ( 4.316 0.000 0.616) 4.360 18.367 ( -3.994 0.000 -1.205) 4.172 22.420 ( 2.559 0.000 -1.679) 3.061 22.528 ( -2.907 0.000 -1.677) 3.356 22.981 ( 12.494 0.000 4.903) 13.422 23.397 ( -4.686 0.000 6.775) 8.238 23.878 ( 21.672 0.000 -7.944) 23.082 24.781 ( -22.813 0.000 -13.189) 26.351 27.088 ( 0.244 0.000 -1.644) 1.662 27.124 ( -1.206 0.000 -1.122) 1.647 ======================= Grid point 247 (50/90) ======================= q-point: (-0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 3.145 ( -16.047 0.000 6.888) 17.463 3.145 ( 16.047 0.000 6.888) 17.463 3.149 ( -15.137 0.000 7.683) 16.975 3.149 ( 15.137 0.000 7.683) 16.975 4.287 ( -10.482 0.000 9.397) 14.077 4.287 ( 10.482 0.000 9.397) 14.077 7.346 ( -6.563 0.000 -6.216) 9.039 7.346 ( 6.563 0.000 -6.216) 9.039 7.465 ( -10.655 0.000 7.208) 12.864 7.465 ( 10.655 0.000 7.208) 12.864 7.976 ( -13.929 0.000 -4.186) 14.544 7.976 ( 13.929 0.000 -4.186) 14.544 8.759 ( -3.348 0.000 12.011) 12.469 8.759 ( 3.348 0.000 12.011) 12.469 9.179 ( -7.243 0.000 -10.047) 12.386 9.179 ( 7.243 0.000 -10.047) 12.386 9.790 ( -11.185 0.000 27.248) 29.454 9.790 ( 11.185 0.000 27.248) 29.454 9.995 ( -8.788 0.000 12.365) 15.169 9.995 ( 8.788 0.000 12.365) 15.169 10.526 ( -9.985 0.000 12.187) 15.755 10.526 ( 9.985 0.000 12.187) 15.755 11.036 ( -4.951 0.000 11.341) 12.375 11.036 ( 4.951 0.000 11.341) 12.375 11.046 ( -5.565 0.000 4.112) 6.919 11.046 ( 5.565 0.000 4.112) 6.919 11.268 ( -2.810 0.000 -10.694) 11.057 11.268 ( 2.810 0.000 -10.694) 11.057 11.799 ( -2.927 0.000 -4.331) 5.228 11.799 ( 2.927 0.000 -4.331) 5.228 12.272 ( -8.861 0.000 7.741) 11.766 12.272 ( 8.861 0.000 7.741) 11.766 12.478 ( -9.634 0.000 4.732) 10.733 12.478 ( 9.634 0.000 4.732) 10.733 12.851 ( -4.364 0.000 -3.492) 5.589 12.851 ( 4.364 0.000 -3.492) 5.589 13.479 ( -9.586 0.000 1.367) 9.683 13.479 ( 9.586 0.000 1.367) 9.683 13.856 ( -7.371 0.000 -6.918) 10.109 13.856 ( 7.371 0.000 -6.918) 10.109 14.269 ( -9.274 0.000 -5.365) 10.714 14.269 ( 9.274 0.000 -5.365) 10.714 14.693 ( -3.191 0.000 -6.725) 7.444 14.693 ( 3.191 0.000 -6.725) 7.444 14.942 ( -7.745 0.000 4.526) 8.970 14.942 ( 7.745 0.000 4.526) 8.970 15.290 ( -2.397 0.000 -26.898) 27.005 15.290 ( 2.397 0.000 -26.898) 27.005 16.034 ( -16.067 0.000 -5.308) 16.921 16.034 ( 16.067 0.000 -5.308) 16.921 16.212 ( -0.274 0.000 -3.023) 3.035 16.212 ( 0.274 0.000 -3.023) 3.035 16.920 ( -13.473 0.000 2.581) 13.718 16.920 ( 13.473 0.000 2.581) 13.718 17.828 ( -1.883 0.000 -3.732) 4.180 17.828 ( 1.883 0.000 -3.732) 4.180 18.287 ( -4.397 0.000 0.215) 4.402 18.287 ( 4.397 0.000 0.215) 4.402 22.472 ( -2.961 0.000 -1.685) 3.407 22.472 ( 2.961 0.000 -1.685) 3.407 23.216 ( -11.954 0.000 8.386) 14.602 23.216 ( 11.954 0.000 8.386) 14.602 24.333 ( -24.477 0.000 -12.754) 27.600 24.333 ( 24.477 0.000 -12.754) 27.600 27.102 ( -1.074 0.000 -1.827) 2.119 27.102 ( 1.074 0.000 -1.827) 2.119 ======================= Grid point 253 (51/90) ======================= q-point: ( 0.12 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 2.437 ( 7.660 7.660 29.652) 31.569 2.463 ( 8.531 8.531 25.531) 28.239 3.375 ( 11.352 11.352 25.569) 30.191 3.683 ( -8.725 -8.725 -3.712) 12.886 4.000 ( 2.130 2.130 -5.028) 5.861 4.151 ( 0.948 0.948 0.007) 1.341 6.841 ( -1.406 -1.406 -6.400) 6.702 7.050 ( 4.789 4.789 -6.948) 9.703 7.163 ( 3.140 3.140 -13.484) 14.196 7.320 ( 6.890 6.890 -15.142) 18.006 8.254 ( -6.094 -6.094 10.398) 13.506 8.526 ( 2.207 2.207 5.957) 6.726 8.542 ( 2.982 2.982 8.863) 9.816 8.975 ( -11.313 -11.313 11.486) 19.695 9.355 ( -0.745 -0.745 -16.709) 16.742 9.438 ( 0.318 0.318 32.773) 32.777 9.482 ( -0.231 -0.231 -5.031) 5.041 9.503 ( 1.988 1.988 26.106) 26.257 9.872 ( 8.746 8.746 6.082) 13.783 10.238 ( -3.623 -3.623 43.778) 44.077 10.497 ( -10.289 -10.289 9.046) 17.133 10.870 ( -1.112 -1.112 11.069) 11.181 11.076 ( -4.622 -4.622 1.904) 6.809 11.115 ( 2.112 2.112 -2.038) 3.615 11.246 ( -3.312 -3.312 1.802) 5.019 11.327 ( -8.032 -8.032 -7.213) 13.455 11.513 ( 5.904 5.904 10.851) 13.692 11.617 ( 1.511 1.511 -9.913) 10.141 11.618 ( -3.861 -3.861 9.238) 10.731 11.849 ( 0.312 0.312 -6.733) 6.747 11.911 ( -3.510 -3.510 8.677) 9.996 12.199 ( 3.870 3.870 -6.018) 8.135 12.425 ( 5.315 5.315 -10.554) 12.957 12.481 ( 0.968 0.968 12.561) 12.635 12.514 ( 2.904 2.904 -15.543) 16.077 12.862 ( -2.213 -2.213 7.117) 7.775 13.079 ( 7.711 7.711 16.708) 19.952 13.734 ( -5.232 -5.232 0.992) 7.465 13.921 ( 0.580 0.580 0.600) 1.016 14.122 ( -4.312 -4.312 -5.282) 8.068 14.173 ( 0.701 0.701 -7.609) 7.673 14.316 ( 6.391 6.391 1.691) 9.195 14.580 ( -0.006 -0.006 -12.088) 12.088 14.653 ( 2.714 2.714 -10.256) 10.950 14.691 ( 2.619 2.619 -13.533) 14.031 14.808 ( 7.495 7.495 -5.171) 11.793 15.219 ( 1.621 1.621 -26.015) 26.116 15.437 ( -4.426 -4.426 8.158) 10.283 15.539 ( -1.115 -1.115 -29.001) 29.044 15.925 ( 5.553 5.553 -0.346) 7.861 15.975 ( 6.363 6.363 3.911) 9.812 16.047 ( 3.372 3.372 -4.548) 6.590 17.189 ( -6.508 -6.508 8.713) 12.674 17.550 ( -14.857 -14.857 -0.057) 21.010 17.792 ( -6.157 -6.157 -2.294) 9.005 18.011 ( -1.645 -1.645 -3.890) 4.532 18.171 ( 6.693 6.693 -0.531) 9.480 18.454 ( -0.535 -0.535 -5.515) 5.567 22.404 ( 3.120 3.120 0.106) 4.413 22.594 ( 6.436 6.436 -3.694) 9.823 22.642 ( 0.852 0.852 -0.365) 1.258 22.861 ( 15.453 15.453 -9.514) 23.834 23.779 ( -3.548 -3.548 18.406) 19.078 25.376 ( -10.257 -10.257 -16.839) 22.226 27.108 ( -1.147 -1.147 -0.213) 1.636 27.149 ( -1.397 -1.397 1.052) 2.238 ======================= Grid point 254 (52/90) ======================= q-point: ( 0.25 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 2.630 ( 11.999 6.581 24.822) 28.345 2.676 ( 13.719 8.339 19.151) 24.990 3.511 ( -9.187 -6.558 -1.196) 11.351 3.664 ( 17.021 6.035 17.724) 25.303 3.883 ( -10.592 11.200 -1.177) 15.460 4.261 ( 6.908 -6.794 1.205) 9.763 6.851 ( 2.097 -9.099 -3.029) 9.817 7.057 ( -0.634 -11.690 -4.426) 12.515 7.344 ( 11.441 14.251 -8.686) 20.234 7.477 ( 10.073 6.453 -10.887) 16.175 8.086 ( -10.997 -5.953 10.349) 16.232 8.492 ( -4.196 7.367 1.659) 8.639 8.668 ( 5.484 0.331 7.820) 9.557 8.803 ( -4.539 -4.596 9.473) 11.466 9.269 ( -6.346 7.740 -2.043) 10.215 9.407 ( -3.193 0.427 -11.317) 11.767 9.463 ( 2.218 -1.589 29.147) 29.274 9.648 ( 8.402 -3.263 18.572) 20.644 10.028 ( 4.336 -0.003 13.002) 13.706 10.175 ( -0.065 -1.638 28.766) 28.813 10.298 ( -9.710 -3.706 11.181) 15.265 10.835 ( -4.934 -2.784 10.864) 12.252 10.978 ( -3.624 -6.098 8.572) 11.126 11.050 ( -10.499 -6.850 -2.556) 12.794 11.164 ( 0.018 1.524 -2.782) 3.172 11.248 ( -2.202 -2.889 -6.534) 7.476 11.447 ( -8.672 -5.092 12.387) 15.955 11.559 ( -8.687 3.359 1.211) 9.393 11.683 ( 6.462 5.880 -1.504) 8.865 11.838 ( 1.810 4.024 -4.621) 6.389 11.988 ( 8.399 0.124 5.003) 9.777 12.218 ( 1.255 8.791 -2.001) 9.102 12.501 ( -1.046 -2.832 8.775) 9.280 12.549 ( 6.120 2.658 -4.168) 7.867 12.607 ( 6.508 1.598 -8.369) 10.721 12.837 ( 0.213 -3.605 3.410) 4.967 13.242 ( 8.536 7.613 11.856) 16.474 13.662 ( -1.843 -3.911 -1.193) 4.485 13.899 ( -4.966 2.678 2.710) 6.259 14.013 ( -3.178 -1.638 -8.099) 8.853 14.149 ( -2.730 0.544 -7.240) 7.757 14.464 ( 7.489 1.052 -1.188) 7.655 14.564 ( -2.564 0.931 -10.609) 10.954 14.678 ( 0.831 2.163 -11.307) 11.542 14.773 ( 4.548 1.659 -6.517) 8.118 14.985 ( 8.573 0.300 -6.698) 10.883 15.258 ( 2.218 -0.037 -23.912) 24.015 15.343 ( -4.220 4.930 2.818) 7.075 15.555 ( 4.173 -1.934 -22.723) 23.184 16.067 ( 8.056 2.641 -3.896) 9.330 16.111 ( 6.924 3.342 0.068) 7.689 16.135 ( 6.603 3.387 -1.996) 7.685 16.975 ( -14.936 -1.104 3.359) 15.348 17.305 ( -10.747 -15.110 4.086) 18.987 17.678 ( -5.275 -12.115 -3.081) 13.568 17.925 ( -7.021 -4.389 -5.341) 9.853 18.279 ( 4.930 10.495 0.173) 11.596 18.453 ( 0.151 2.483 -2.238) 3.346 22.447 ( 1.907 6.155 0.523) 6.465 22.621 ( -1.776 4.075 -0.318) 4.456 22.765 ( 10.525 0.969 0.359) 10.576 23.260 ( 22.327 9.208 -13.913) 27.872 23.696 ( -3.545 -3.540 14.990) 15.805 25.108 ( -17.609 -7.666 -14.387) 23.996 27.083 ( -1.268 -1.328 -1.197) 2.192 27.123 ( -1.298 -2.053 -0.298) 2.447 ======================= Grid point 255 (53/90) ======================= q-point: ( 0.38 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 2.866 ( 12.718 4.242 17.383) 21.952 2.969 ( 16.910 8.972 12.009) 22.597 3.322 ( -10.836 -3.537 3.096) 11.812 3.610 ( -15.375 10.814 0.814) 18.815 4.017 ( 16.396 1.484 12.825) 20.869 4.340 ( 0.577 -5.064 3.975) 6.464 6.913 ( 4.336 -16.633 0.881) 17.212 7.048 ( -0.910 -20.270 1.188) 20.325 7.519 ( 7.147 9.308 -4.294) 12.497 7.704 ( 11.894 11.501 -4.681) 17.195 7.880 ( -8.169 -4.084 5.121) 10.470 8.337 ( -12.568 9.023 -2.203) 15.627 8.703 ( 2.479 -0.157 10.323) 10.617 8.827 ( 1.847 4.029 5.646) 7.178 9.197 ( -0.850 9.321 -1.046) 9.418 9.325 ( -5.250 -0.242 -12.536) 13.593 9.555 ( 8.161 -3.567 24.347) 25.925 9.810 ( 8.380 -2.051 19.707) 21.513 9.959 ( -7.800 -2.344 25.592) 26.857 10.136 ( -7.806 -1.851 13.675) 15.854 10.296 ( 8.725 -3.682 7.109) 11.842 10.654 ( -11.626 -7.496 9.376) 16.711 10.931 ( -1.863 -5.220 3.840) 6.743 10.955 ( -1.183 -2.671 4.863) 5.673 11.104 ( -3.290 -4.971 -1.252) 6.091 11.237 ( -6.421 4.351 10.639) 13.166 11.279 ( -2.044 -1.626 -3.354) 4.251 11.403 ( -6.442 7.739 -0.312) 10.074 11.795 ( 4.927 5.694 -2.362) 7.891 11.871 ( 0.931 3.882 -4.734) 6.192 12.131 ( 6.182 1.386 3.815) 7.396 12.330 ( 10.362 6.289 2.975) 12.481 12.410 ( -7.293 -2.290 9.758) 12.396 12.622 ( 0.197 3.131 0.671) 3.208 12.728 ( 5.764 -0.008 -4.371) 7.234 12.851 ( 0.164 -4.036 0.502) 4.071 13.386 ( 7.142 6.952 3.670) 10.622 13.646 ( -2.450 -1.305 -1.941) 3.387 13.782 ( -2.933 2.751 -1.347) 4.241 13.961 ( -5.258 -2.769 -7.535) 9.596 14.154 ( 5.003 2.408 -3.675) 6.658 14.458 ( -7.395 2.028 -8.068) 11.131 14.594 ( 5.441 -0.806 -4.032) 6.820 14.694 ( 0.361 -2.066 -7.284) 7.580 14.848 ( 3.722 2.353 -1.279) 4.585 15.027 ( -3.606 -4.694 3.930) 7.105 15.281 ( 1.431 3.206 -22.720) 22.990 15.327 ( 0.563 4.146 -23.013) 23.390 15.737 ( 14.633 0.538 -10.595) 18.074 16.186 ( 3.858 2.193 -3.334) 5.550 16.206 ( 3.643 2.878 -2.470) 5.259 16.245 ( -0.046 1.503 -2.628) 3.028 16.754 ( -3.780 -2.173 0.518) 4.391 17.100 ( -11.711 -9.153 4.462) 15.519 17.617 ( -0.813 -16.101 -3.971) 16.604 17.776 ( -7.932 -9.960 -5.254) 13.774 18.360 ( 3.687 11.404 0.280) 11.989 18.447 ( -0.881 7.031 -0.594) 7.111 22.485 ( 2.216 6.302 0.293) 6.687 22.579 ( -2.523 4.994 -0.121) 5.597 22.984 ( 12.399 0.458 4.308) 13.134 23.411 ( -6.809 1.432 7.343) 10.116 23.872 ( 22.073 -0.395 -10.030) 24.248 24.735 ( -21.400 -4.782 -13.091) 25.538 27.069 ( -0.059 -1.870 -2.184) 2.876 27.099 ( -1.239 -2.389 -1.671) 3.168 ======================= Grid point 256 (54/90) ======================= q-point: (-0.50 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 3.102 ( -12.082 0.593 9.716) 15.515 3.102 ( 12.082 0.593 9.716) 15.515 3.297 ( -17.266 9.961 5.528) 20.686 3.297 ( 17.266 9.961 5.528) 20.686 4.263 ( -8.862 -2.337 7.779) 12.022 4.263 ( 8.863 -2.337 7.779) 12.022 7.000 ( -4.193 -21.972 3.281) 22.608 7.000 ( 4.193 -21.972 3.281) 22.608 7.654 ( -7.990 4.278 1.913) 9.263 7.654 ( 7.990 4.278 1.913) 9.263 8.050 ( -16.480 9.471 -4.444) 19.520 8.050 ( 16.480 9.471 -4.444) 19.520 8.790 ( -5.064 3.789 7.760) 10.011 8.790 ( 5.065 3.789 7.760) 10.011 9.231 ( -4.057 4.348 -6.363) 8.709 9.231 ( 4.057 4.348 -6.363) 8.709 9.753 ( -11.397 -3.320 22.294) 25.258 9.753 ( 11.397 -3.320 22.294) 25.258 9.986 ( -8.199 -1.360 16.741) 18.691 9.986 ( 8.199 -1.360 16.741) 18.691 10.459 ( -8.990 -6.722 7.576) 13.542 10.459 ( 8.990 -6.722 7.576) 13.542 10.929 ( -1.279 -4.346 3.019) 5.444 10.929 ( 1.279 -4.346 3.019) 5.444 11.106 ( -3.908 -2.240 7.805) 9.011 11.106 ( 3.908 -2.240 7.805) 9.011 11.315 ( -3.227 7.581 -2.655) 8.656 11.315 ( 3.227 7.581 -2.655) 8.656 11.861 ( -2.041 5.527 -4.263) 7.272 11.861 ( 2.041 5.527 -4.263) 7.272 12.260 ( -7.772 -1.036 7.115) 10.588 12.260 ( 7.772 -1.036 7.115) 10.588 12.532 ( -9.067 4.658 4.009) 10.953 12.532 ( 9.067 4.658 4.009) 10.953 12.819 ( -3.545 -2.431 -2.104) 4.785 12.819 ( 3.545 -2.431 -2.104) 4.785 13.528 ( -7.838 4.764 -0.264) 9.176 13.528 ( 7.838 4.764 -0.264) 9.176 13.840 ( -6.360 -1.340 -5.855) 8.748 13.840 ( 6.360 -1.340 -5.855) 8.748 14.298 ( -8.939 1.817 -4.530) 10.184 14.298 ( 8.939 1.817 -4.530) 10.184 14.674 ( -2.703 -2.066 -5.210) 6.222 14.674 ( 2.703 -2.066 -5.210) 6.222 14.931 ( -5.211 -0.397 3.966) 6.561 14.931 ( 5.211 -0.397 3.966) 6.561 15.316 ( -1.628 2.488 -26.640) 26.805 15.316 ( 1.628 2.488 -26.640) 26.805 16.041 ( -15.782 1.024 -4.974) 16.579 16.041 ( 15.782 1.024 -4.974) 16.579 16.242 ( -0.253 2.891 -3.534) 4.573 16.242 ( 0.253 2.891 -3.534) 4.573 16.869 ( -11.841 -5.158 2.076) 13.082 16.869 ( 11.841 -5.158 2.076) 13.082 17.653 ( -4.578 -14.917 -4.591) 16.265 17.653 ( 4.578 -14.917 -4.591) 16.265 18.417 ( -2.341 10.218 0.072) 10.483 18.417 ( 2.341 10.218 0.072) 10.483 22.530 ( -2.563 5.728 0.063) 6.275 22.530 ( 2.563 5.728 0.063) 6.275 23.218 ( -12.000 0.307 7.874) 14.357 23.218 ( 12.000 0.307 7.874) 14.357 24.313 ( -23.256 -2.141 -13.121) 26.787 24.313 ( 23.256 -2.141 -13.121) 26.787 27.078 ( -0.904 -2.308 -2.401) 3.451 27.078 ( 0.904 -2.308 -2.401) 3.451 ======================= Grid point 263 (55/90) ======================= q-point: ( 0.25 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 2.802 ( 10.751 10.751 23.085) 27.643 2.879 ( 12.920 12.920 14.713) 23.459 3.396 ( -5.696 -5.696 1.586) 8.210 3.834 ( 11.004 11.004 11.437) 19.313 4.072 ( -4.923 -4.923 5.541) 8.898 4.096 ( 2.679 2.679 -4.039) 5.538 6.706 ( -6.364 -6.364 1.581) 9.138 6.837 ( -10.469 -10.469 1.230) 14.856 7.543 ( 2.421 2.421 -3.904) 5.193 7.657 ( 16.546 16.546 -7.214) 24.486 7.934 ( -9.341 -9.341 9.373) 16.198 8.633 ( 2.271 2.271 -9.762) 10.277 8.667 ( 2.000 2.000 11.612) 11.952 8.795 ( 5.262 5.262 6.377) 9.800 9.340 ( -0.610 -0.610 -18.433) 18.454 9.440 ( -0.346 -0.346 29.323) 29.327 9.447 ( -0.019 -0.019 1.199) 1.199 9.595 ( 2.214 2.214 23.773) 23.978 10.000 ( -3.799 -3.799 20.111) 20.816 10.174 ( 2.013 2.013 11.316) 11.668 10.202 ( -6.064 -6.064 13.299) 15.824 10.723 ( -13.929 -13.929 6.544) 20.758 10.836 ( -0.144 -0.144 14.955) 14.956 10.953 ( -4.424 -4.424 -9.646) 11.497 11.114 ( -6.678 -6.678 -11.954) 15.234 11.268 ( 1.792 1.792 4.755) 5.388 11.359 ( -2.249 -2.249 15.539) 15.861 11.624 ( 0.638 0.638 15.894) 15.919 11.763 ( 4.188 4.188 -12.150) 13.517 11.896 ( 3.147 3.147 -7.044) 8.332 12.070 ( 6.899 6.899 6.232) 11.578 12.344 ( 3.853 3.853 -5.021) 7.409 12.444 ( -2.151 -2.151 14.898) 15.206 12.598 ( 2.544 2.544 -13.246) 13.726 12.707 ( 7.222 7.222 3.153) 10.689 12.773 ( -1.916 -1.916 4.389) 5.158 13.406 ( 8.677 8.677 8.315) 14.823 13.616 ( -0.636 -0.636 -2.619) 2.769 13.908 ( -3.209 -3.209 -0.863) 4.620 13.971 ( -1.172 -1.172 -6.306) 6.520 14.128 ( -1.972 -1.972 -5.804) 6.439 14.508 ( 2.992 2.992 -0.157) 4.234 14.587 ( 0.716 0.716 -10.053) 10.104 14.677 ( -5.015 -5.015 -8.374) 10.974 14.795 ( 3.732 3.732 -5.180) 7.395 15.018 ( 2.124 2.124 5.231) 6.032 15.267 ( 1.239 1.239 -26.522) 26.580 15.501 ( -0.986 -0.986 -24.906) 24.945 15.504 ( 9.525 9.525 -0.795) 13.494 16.144 ( 5.361 5.361 -8.033) 11.046 16.198 ( 4.930 4.930 0.807) 7.018 16.216 ( 5.260 5.260 -3.010) 8.025 16.931 ( -6.718 -6.718 2.787) 9.900 16.993 ( -13.256 -13.256 2.377) 18.896 17.453 ( -11.113 -11.113 -3.393) 16.079 17.775 ( -11.022 -11.022 -7.500) 17.298 18.449 ( 7.263 7.263 0.283) 10.275 18.521 ( 4.152 4.152 -0.697) 5.913 22.557 ( 4.619 4.619 4.252) 7.794 22.691 ( 1.754 1.754 3.424) 4.228 22.826 ( 6.922 6.922 -1.074) 9.848 23.516 ( 16.109 16.109 -18.573) 29.393 23.601 ( -5.502 -5.502 14.811) 16.731 24.902 ( -13.722 -13.722 -13.308) 23.530 27.051 ( -1.800 -1.800 -2.368) 3.477 27.082 ( -2.133 -2.133 -1.645) 3.436 ======================= Grid point 264 (56/90) ======================= q-point: ( 0.38 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 2.998 ( 9.576 9.214 17.678) 22.116 3.161 ( 16.720 10.624 10.409) 22.378 3.288 ( -6.063 -0.340 5.751) 8.363 3.804 ( -15.477 8.177 3.566) 17.864 4.061 ( 10.563 2.956 6.590) 12.796 4.221 ( 3.702 -6.252 0.217) 7.269 6.614 ( -3.101 -14.634 6.004) 16.119 6.678 ( -6.302 -17.844 6.282) 19.939 7.566 ( 1.322 -2.047 4.243) 4.893 7.759 ( -8.670 -6.843 8.269) 13.798 7.982 ( 17.399 16.149 -6.397) 24.585 8.551 ( -9.818 11.313 -9.673) 17.831 8.746 ( 6.920 4.696 4.926) 9.705 8.937 ( 4.958 7.779 5.212) 10.596 9.288 ( -3.255 -4.097 -11.887) 12.987 9.374 ( -4.163 7.036 9.215) 12.319 9.502 ( 7.272 -0.168 17.442) 18.898 9.731 ( 8.233 -6.244 20.513) 22.968 9.894 ( -6.806 -4.462 18.094) 19.839 10.075 ( -7.530 -4.949 17.137) 19.361 10.232 ( 3.614 -2.259 2.714) 5.053 10.467 ( -11.469 -11.448 1.912) 16.317 10.860 ( 0.629 -1.102 7.171) 7.282 10.901 ( -0.255 -2.946 -1.108) 3.158 10.996 ( -4.175 -5.968 -9.591) 12.043 11.178 ( -7.788 -3.679 16.607) 18.708 11.417 ( 4.875 8.729 6.032) 11.676 11.578 ( -3.880 9.675 11.660) 15.640 11.878 ( 6.714 2.889 -5.467) 9.128 11.957 ( 2.795 4.899 -6.614) 8.692 12.162 ( 2.620 1.045 3.137) 4.219 12.362 ( -6.279 -1.695 7.223) 9.720 12.448 ( 7.552 3.774 0.195) 8.445 12.639 ( 0.864 -0.392 -9.203) 9.252 12.770 ( 1.930 1.496 6.445) 6.892 12.829 ( 3.530 5.161 7.098) 9.459 13.543 ( 5.820 8.683 0.518) 10.466 13.639 ( 2.484 0.773 -4.403) 5.115 13.817 ( -4.309 0.302 -3.285) 5.427 13.930 ( -4.672 0.115 -4.038) 6.177 14.141 ( 4.637 -3.748 -2.491) 6.461 14.475 ( -9.906 -1.959 -4.667) 11.124 14.574 ( 2.525 -1.407 -0.966) 3.047 14.630 ( 0.048 -4.321 -5.773) 7.212 14.882 ( 4.588 2.289 -0.807) 5.190 15.023 ( -1.791 4.141 6.141) 7.620 15.308 ( 2.915 0.726 -26.567) 26.737 15.432 ( -3.585 4.325 -23.018) 23.694 15.779 ( 16.373 5.200 -6.208) 18.267 16.241 ( 3.250 3.616 -4.606) 6.697 16.267 ( 1.529 3.285 -1.667) 3.988 16.304 ( 2.083 4.778 -5.421) 7.520 16.699 ( -7.455 -3.465 -0.161) 8.223 16.886 ( -5.804 -12.487 2.673) 14.027 17.299 ( -3.664 -16.530 -5.554) 17.819 17.543 ( -12.562 -14.182 -7.903) 20.528 18.554 ( 3.974 8.622 0.146) 9.494 18.586 ( 2.266 6.860 -0.233) 7.228 22.620 ( 2.478 6.974 5.098) 8.988 22.689 ( -1.182 5.759 4.315) 7.293 23.011 ( 11.521 2.906 2.363) 12.115 23.436 ( -9.732 0.418 9.640) 13.705 23.884 ( 19.980 2.566 -15.738) 25.563 24.606 ( -17.396 -8.786 -13.120) 23.493 27.025 ( -0.722 -2.537 -3.513) 4.393 27.046 ( -1.568 -2.918 -3.116) 4.548 ======================= Grid point 265 (57/90) ======================= q-point: (-0.50 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 3.160 ( -7.597 5.139 11.294) 14.549 3.160 ( 7.597 5.139 11.294) 14.549 3.489 ( -17.488 9.157 6.418) 20.757 3.489 ( 17.488 9.157 6.418) 20.757 4.213 ( -4.622 -2.461 2.727) 5.904 4.213 ( 4.622 -2.461 2.727) 5.904 6.601 ( -1.823 -19.425 8.094) 21.123 6.601 ( 1.823 -19.425 8.094) 21.123 7.625 ( -5.195 -4.651 7.651) 10.352 7.625 ( 5.195 -4.651 7.651) 10.352 8.300 ( -15.827 15.068 -7.034) 22.957 8.300 ( 15.827 15.068 -7.034) 22.957 8.897 ( -7.494 6.626 1.035) 10.057 8.897 ( 7.494 6.626 1.035) 10.057 9.298 ( -3.609 2.239 2.738) 5.053 9.298 ( 3.609 2.239 2.738) 5.053 9.689 ( -10.717 -3.146 13.267) 17.342 9.689 ( 10.717 -3.146 13.267) 17.342 9.922 ( -8.201 -6.119 21.060) 23.414 9.922 ( 8.201 -6.119 21.060) 23.414 10.312 ( -5.470 -7.152 -0.083) 9.004 10.312 ( 5.470 -7.152 -0.083) 9.004 10.873 ( -1.940 -2.224 -4.679) 5.532 10.873 ( 1.940 -2.224 -4.679) 5.532 11.035 ( -6.492 -3.207 11.913) 13.941 11.035 ( 6.492 -3.207 11.913) 13.941 11.502 ( -4.166 10.766 8.356) 14.251 11.502 ( 4.166 10.766 8.356) 14.251 11.970 ( -2.203 5.322 -4.622) 7.385 11.970 ( 2.203 5.322 -4.622) 7.385 12.233 ( -5.974 -2.141 4.321) 7.677 12.233 ( 5.974 -2.141 4.321) 7.677 12.591 ( -5.941 0.526 -3.407) 6.868 12.591 ( 5.941 0.526 -3.407) 6.868 12.827 ( -2.970 4.419 7.342) 9.069 12.827 ( 2.970 4.419 7.342) 9.069 13.635 ( -3.730 5.879 -4.908) 8.519 13.635 ( 3.730 5.879 -4.908) 8.519 13.823 ( -5.125 0.060 -3.087) 5.983 13.823 ( 5.125 0.060 -3.087) 5.983 14.282 ( -9.513 -4.258 -1.733) 10.566 14.282 ( 9.513 -4.258 -1.733) 10.566 14.617 ( -1.614 -3.632 -2.556) 4.725 14.617 ( 1.614 -3.632 -2.556) 4.725 14.963 ( -3.999 4.356 3.143) 6.696 14.963 ( 3.999 4.356 3.143) 6.696 15.368 ( -3.284 2.322 -25.303) 25.621 15.368 ( 3.284 2.322 -25.303) 25.621 16.089 ( -15.283 4.431 -4.186) 16.454 16.089 ( 15.283 4.431 -4.186) 16.454 16.309 ( -1.294 3.992 -4.512) 6.162 16.309 ( 1.294 3.992 -4.512) 6.162 16.742 ( -8.070 -7.764 0.499) 11.209 16.742 ( 8.070 -7.764 0.499) 11.209 17.342 ( -7.587 -17.246 -7.251) 20.188 17.342 ( 7.587 -17.246 -7.251) 20.188 18.599 ( -0.835 8.432 -0.032) 8.473 18.599 ( 0.835 8.432 -0.032) 8.473 22.660 ( -1.845 7.081 4.763) 8.731 22.660 ( 1.845 7.081 4.763) 8.731 23.233 ( -11.598 1.379 6.502) 13.368 23.233 ( 11.598 1.379 6.502) 13.368 24.258 ( -19.317 -3.490 -14.301) 24.286 24.258 ( 19.317 -3.490 -14.301) 24.286 27.025 ( -0.636 -3.051 -3.857) 4.959 27.025 ( 0.636 -3.051 -3.857) 4.959 ======================= Grid point 273 (58/90) ======================= q-point: ( 0.38 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 3.174 ( 8.006 8.006 15.996) 19.598 3.293 ( 0.295 0.295 9.379) 9.388 3.364 ( 11.479 11.479 8.649) 18.395 3.819 ( -7.647 -7.647 9.372) 14.310 4.124 ( 4.214 4.214 -1.863) 6.244 4.179 ( 1.387 1.387 -3.858) 4.328 6.384 ( -8.982 -8.982 10.124) 16.244 6.406 ( -10.425 -10.425 10.220) 17.939 7.524 ( -1.309 -1.309 10.646) 10.806 7.629 ( -6.336 -6.336 10.933) 14.136 8.297 ( 16.614 16.614 -6.713) 24.436 8.698 ( 1.942 1.942 -16.485) 16.712 8.832 ( 5.135 5.135 1.646) 7.447 9.132 ( 10.033 10.033 13.933) 19.886 9.165 ( -6.530 -6.530 -11.650) 14.866 9.408 ( -1.210 -1.210 25.200) 25.258 9.578 ( 3.122 3.122 -0.250) 4.422 9.630 ( -0.528 -0.528 15.011) 15.030 9.797 ( -5.573 -5.573 13.010) 15.211 9.935 ( -9.919 -9.919 18.473) 23.195 10.217 ( 0.372 0.372 2.534) 2.587 10.290 ( -5.886 -5.886 -2.705) 8.752 10.835 ( -1.978 -1.978 -12.868) 13.169 10.890 ( -4.577 -4.577 -14.716) 16.077 10.911 ( 3.879 3.879 21.163) 21.862 11.106 ( -4.341 -4.341 20.757) 21.646 11.573 ( 7.646 7.646 12.335) 16.404 11.715 ( 3.292 3.292 21.966) 22.454 11.934 ( 4.329 4.329 -13.047) 14.412 12.044 ( 4.181 4.181 -7.755) 9.752 12.141 ( -2.625 -2.625 2.116) 4.273 12.311 ( -5.586 -5.586 0.703) 7.931 12.501 ( 4.322 4.322 -3.429) 7.008 12.635 ( -0.465 -0.465 -8.701) 8.725 12.841 ( 5.469 5.469 12.607) 14.790 12.936 ( 3.775 3.775 11.816) 12.966 13.677 ( 3.358 3.358 -5.827) 7.516 13.682 ( 5.211 5.211 -6.149) 9.598 13.809 ( -0.046 -0.046 -3.775) 3.776 13.942 ( -1.621 -1.621 -2.004) 3.044 14.067 ( -0.838 -0.838 -0.724) 1.389 14.342 ( -10.471 -10.471 0.181) 14.809 14.551 ( -0.766 -0.766 0.754) 1.320 14.576 ( -1.785 -1.785 -3.699) 4.478 14.967 ( 6.076 6.076 0.483) 8.606 15.105 ( 2.558 2.558 9.891) 10.532 15.321 ( 1.347 1.347 -28.994) 29.057 15.447 ( -2.227 -2.227 -22.076) 22.300 15.958 ( 12.897 12.897 -4.757) 18.849 16.317 ( 4.064 4.064 -5.704) 8.097 16.321 ( 1.328 1.328 0.054) 1.879 16.397 ( 3.569 3.569 -6.960) 8.597 16.607 ( -6.609 -6.609 0.257) 9.350 16.692 ( -6.012 -6.012 -1.588) 8.649 17.038 ( -9.285 -9.285 -8.855) 15.837 17.264 ( -14.752 -14.752 -10.159) 23.205 18.678 ( 4.480 4.480 -0.018) 6.336 18.689 ( 3.800 3.800 -0.196) 5.378 22.723 ( 3.791 3.791 8.781) 10.288 22.764 ( 1.860 1.860 8.854) 9.236 23.111 ( 7.614 7.614 1.842) 10.925 23.397 ( -4.759 -4.759 9.523) 11.661 23.993 ( 8.813 8.813 -18.364) 22.194 24.413 ( -11.290 -11.290 -14.011) 21.242 26.985 ( -1.462 -1.462 -4.885) 5.305 26.998 ( -2.018 -2.018 -4.677) 5.479 ======================= Grid point 274 (59/90) ======================= q-point: (-0.50 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 3.274 ( -2.777 6.102 12.634) 14.303 3.274 ( 2.777 6.102 12.634) 14.303 3.604 ( -13.255 2.600 8.598) 16.013 3.604 ( 13.255 2.600 8.598) 16.013 4.188 ( -1.537 -0.068 -3.857) 4.153 4.188 ( 1.537 -0.068 -3.857) 4.153 6.301 ( -0.549 -11.586 11.757) 16.516 6.301 ( 0.549 -11.586 11.757) 16.516 7.538 ( -2.941 -3.731 12.427) 13.304 7.538 ( 2.941 -3.731 12.427) 13.304 8.581 ( -12.337 14.031 -9.623) 21.017 8.581 ( 12.337 14.031 -9.623) 21.017 8.982 ( -9.480 0.690 -4.155) 10.373 8.982 ( 9.480 0.690 -4.155) 10.374 9.333 ( -7.320 2.477 16.659) 18.364 9.333 ( 7.320 2.477 16.659) 18.364 9.635 ( -5.308 -2.750 3.723) 7.043 9.635 ( 5.308 -2.750 3.723) 7.043 9.763 ( -5.910 -9.141 16.240) 19.551 9.763 ( 5.910 -9.141 16.240) 19.551 10.233 ( -1.318 -1.419 0.644) 2.041 10.233 ( 1.318 -1.419 0.644) 2.041 10.827 ( -1.492 -2.476 -14.133) 14.426 10.827 ( 1.492 -2.476 -14.133) 14.426 11.010 ( -5.680 0.137 21.291) 22.036 11.010 ( 5.680 0.137 21.291) 22.036 11.693 ( -4.582 8.960 17.811) 20.457 11.693 ( 4.582 8.960 17.811) 20.457 12.036 ( -5.002 0.862 -6.602) 8.327 12.036 ( 5.002 0.862 -6.602) 8.327 12.178 ( -6.839 -2.878 -3.854) 8.361 12.178 ( 6.839 -2.878 -3.854) 8.361 12.594 ( -4.159 0.730 -5.080) 6.606 12.594 ( 4.159 0.730 -5.080) 6.606 12.935 ( -3.512 5.182 13.230) 14.637 12.935 ( 3.512 5.182 13.230) 14.637 13.729 ( -0.999 4.299 -8.885) 9.920 13.729 ( 0.999 4.299 -8.885) 9.920 13.851 ( -5.174 2.216 -2.053) 5.992 13.851 ( 5.174 2.216 -2.053) 5.992 14.154 ( -8.268 -7.900 1.256) 11.504 14.154 ( 8.268 -7.900 1.256) 11.504 14.550 ( -0.778 -3.066 -0.443) 3.194 14.550 ( 0.778 -3.066 -0.443) 3.194 15.078 ( -4.744 6.832 5.301) 9.863 15.078 ( 4.744 6.832 5.301) 9.863 15.379 ( -4.231 -1.324 -24.334) 24.735 15.379 ( 4.231 -1.324 -24.334) 24.735 16.213 ( -12.394 8.147 -2.400) 15.025 16.213 ( 12.394 8.147 -2.400) 15.025 16.388 ( -2.799 4.346 -5.086) 7.252 16.388 ( 2.799 4.346 -5.086) 7.252 16.597 ( -4.721 -7.071 -1.761) 8.683 16.597 ( 4.721 -7.071 -1.761) 8.683 17.030 ( -8.191 -14.920 -11.601) 20.598 17.030 ( 8.191 -14.920 -11.601) 20.598 18.723 ( -0.266 4.478 -0.148) 4.489 18.723 ( 0.266 4.478 -0.148) 4.489 22.768 ( -1.161 3.957 9.842) 10.671 22.768 ( 1.161 3.957 9.842) 10.671 23.269 ( -8.271 2.163 5.514) 10.173 23.269 ( 8.271 2.163 5.514) 10.173 24.193 ( -11.706 -2.960 -16.181) 20.189 24.193 ( 11.706 -2.960 -16.181) 20.189 26.975 ( -0.385 -2.008 -5.406) 5.780 26.975 ( 0.385 -2.008 -5.406) 5.780 ======================= Grid point 287 (60/90) ======================= q-point: (-0.50 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 3.344 ( -0.000 -0.000 14.018) 14.018 3.344 ( 0.000 0.000 14.018) 14.018 3.615 ( 0.000 0.000 8.313) 8.313 3.615 ( 0.000 0.000 8.313) 8.313 4.193 ( 0.000 0.000 -6.388) 6.388 4.193 ( 0.000 0.000 -6.388) 6.388 6.188 ( 0.000 0.000 13.235) 13.235 6.188 ( 0.000 0.000 13.235) 13.235 7.501 ( 0.000 0.000 14.169) 14.169 7.501 ( 0.000 0.000 14.169) 14.169 8.760 ( -0.000 -0.000 -16.486) 16.486 8.760 ( 0.000 0.000 -16.486) 16.486 8.944 ( 0.000 0.000 2.188) 2.188 8.944 ( 0.000 0.000 2.188) 2.188 9.376 ( 0.000 0.000 22.678) 22.678 9.376 ( 0.000 0.000 22.678) 22.678 9.595 ( 0.000 0.000 1.723) 1.723 9.595 ( 0.000 0.000 1.723) 1.723 9.663 ( 0.000 0.000 8.899) 8.899 9.663 ( 0.000 0.000 8.899) 8.899 10.226 ( 0.000 0.000 2.358) 2.358 10.226 ( 0.000 0.000 2.358) 2.358 10.800 ( 0.000 0.000 -16.079) 16.079 10.800 ( 0.000 0.000 -16.079) 16.079 11.016 ( 0.000 0.000 23.166) 23.166 11.016 ( 0.000 0.000 23.166) 23.166 11.797 ( 0.000 0.000 29.255) 29.255 11.797 ( 0.000 0.000 29.255) 29.255 12.018 ( 0.000 0.000 -13.479) 13.479 12.018 ( 0.000 0.000 -13.479) 13.479 12.154 ( 0.000 0.000 -10.080) 10.080 12.154 ( 0.000 0.000 -10.080) 10.080 12.607 ( 0.000 0.000 -3.814) 3.814 12.607 ( 0.000 0.000 -3.814) 3.814 12.986 ( 0.000 0.000 14.246) 14.246 12.986 ( 0.000 0.000 14.246) 14.246 13.794 ( 0.000 0.000 -8.740) 8.740 13.794 ( 0.000 0.000 -8.740) 8.740 13.863 ( -0.000 -0.000 -4.873) 4.873 13.863 ( 0.000 0.000 -4.873) 4.873 14.062 ( 0.000 0.000 3.628) 3.628 14.062 ( 0.000 0.000 3.628) 3.628 14.518 ( -0.000 -0.000 0.584) 0.584 14.518 ( 0.000 0.000 0.584) 0.584 15.164 ( -0.000 -0.000 12.013) 12.013 15.164 ( 0.000 0.000 12.013) 12.013 15.348 ( 0.000 0.000 -29.039) 29.039 15.348 ( 0.000 0.000 -29.039) 29.039 16.320 ( -0.000 -0.000 0.635) 0.635 16.320 ( 0.000 0.000 0.635) 0.635 16.458 ( 0.000 0.000 -5.301) 5.301 16.458 ( 0.000 0.000 -5.301) 5.301 16.502 ( -0.000 -0.000 -2.358) 2.358 16.502 ( 0.000 0.000 -2.358) 2.358 16.857 ( 0.000 0.000 -16.306) 16.306 16.857 ( 0.000 0.000 -16.306) 16.306 18.765 ( 0.000 0.000 -0.198) 0.198 18.765 ( 0.000 0.000 -0.198) 0.198 22.805 ( 0.000 0.000 11.802) 11.802 22.805 ( 0.000 0.000 11.802) 11.802 23.294 ( 0.000 0.000 5.631) 5.631 23.294 ( 0.000 0.000 5.631) 5.631 24.162 ( 0.000 0.000 -17.326) 17.326 24.162 ( 0.000 0.000 -17.326) 17.326 26.955 ( 0.000 0.000 -6.072) 6.072 26.955 ( 0.000 0.000 -6.072) 6.072 ======================= Grid point 324 (61/90) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 2.886 ( -0.000 0.000 25.441) 25.441 2.886 ( 0.000 -0.000 25.441) 25.441 3.635 ( 0.000 0.000 17.069) 17.069 3.794 ( -0.000 -0.000 -10.050) 10.050 3.794 ( 0.000 0.000 -10.050) 10.050 3.979 ( 0.000 0.000 -3.383) 3.383 6.713 ( 0.000 0.000 -4.692) 4.692 6.713 ( 0.000 -0.000 -4.692) 4.692 6.873 ( 0.000 0.000 -11.351) 11.351 6.873 ( -0.000 -0.000 -11.351) 11.351 8.499 ( 0.000 0.000 7.773) 7.773 8.759 ( 0.000 0.000 13.259) 13.259 8.759 ( 0.000 -0.000 13.259) 13.259 8.978 ( 0.000 -0.000 -16.034) 16.034 9.392 ( 0.000 0.000 -7.906) 7.906 9.392 ( 0.000 0.000 -7.906) 7.906 9.892 ( 0.000 0.000 28.399) 28.399 10.104 ( 0.000 0.000 32.053) 32.053 10.142 ( 0.000 0.000 33.656) 33.656 10.947 ( 0.000 0.000 -1.059) 1.059 10.947 ( -0.000 -0.000 -1.059) 1.059 10.993 ( 0.000 0.000 -4.993) 4.993 11.182 ( 0.000 0.000 -26.197) 26.197 11.199 ( -0.000 0.000 1.731) 1.731 11.199 ( 0.000 0.000 1.731) 1.731 11.286 ( -0.000 -0.000 41.893) 41.893 11.342 ( 0.000 0.000 -26.794) 26.794 11.355 ( 0.000 0.000 6.446) 6.446 11.870 ( 0.000 0.000 -22.450) 22.450 11.931 ( 0.000 0.000 9.540) 9.540 11.931 ( 0.000 0.000 9.540) 9.540 12.059 ( 0.000 0.000 -0.828) 0.828 12.059 ( -0.000 -0.000 -0.828) 0.828 12.186 ( 0.000 0.000 -8.859) 8.859 12.810 ( -0.000 -0.000 22.583) 22.583 13.261 ( -0.000 0.000 25.204) 25.204 13.383 ( -0.000 -0.000 23.558) 23.558 13.895 ( -0.000 0.000 -0.803) 0.803 13.895 ( 0.000 0.000 -0.803) 0.803 14.061 ( -0.000 0.000 -30.856) 30.856 14.172 ( 0.000 0.000 7.803) 7.803 14.188 ( -0.000 -0.000 -0.925) 0.925 14.188 ( 0.000 0.000 -0.925) 0.925 14.267 ( 0.000 0.000 -18.876) 18.876 14.542 ( 0.000 0.000 -4.296) 4.296 14.542 ( 0.000 0.000 -4.296) 4.296 14.642 ( 0.000 0.000 -20.180) 20.180 14.780 ( 0.000 0.000 -40.110) 40.110 15.657 ( 0.000 0.000 3.928) 3.928 15.861 ( 0.000 0.000 -5.780) 5.780 15.946 ( 0.000 0.000 5.059) 5.059 15.946 ( -0.000 -0.000 5.059) 5.059 17.632 ( 0.000 0.000 14.611) 14.611 17.843 ( 0.000 0.000 -1.152) 1.152 17.843 ( 0.000 0.000 -1.152) 1.152 17.987 ( -0.000 -0.000 -2.330) 2.330 17.987 ( 0.000 0.000 -2.330) 2.330 18.218 ( -0.000 -0.000 -13.133) 13.133 22.316 ( -0.000 -0.000 -0.867) 0.867 22.316 ( 0.000 0.000 -0.867) 0.867 22.596 ( 0.000 0.000 -1.147) 1.147 22.596 ( -0.000 0.000 -1.147) 1.147 24.275 ( 0.000 0.000 21.592) 21.592 25.164 ( -0.000 -0.000 -21.164) 21.164 27.150 ( -0.000 0.000 1.224) 1.224 27.194 ( -0.000 0.000 -0.229) 0.229 ======================= Grid point 325 (62/90) ======================= q-point: ( 0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 2.914 ( 2.920 0.000 23.365) 23.546 2.929 ( 4.148 0.000 23.198) 23.566 3.659 ( -2.468 0.000 0.908) 2.630 3.748 ( -4.838 0.000 -8.889) 10.120 3.770 ( 5.117 0.000 7.811) 9.338 4.109 ( 10.501 0.000 -4.346) 11.365 6.779 ( 6.854 0.000 -4.638) 8.276 6.787 ( 6.957 0.000 -3.895) 7.973 6.928 ( 6.069 0.000 -11.119) 12.667 6.935 ( 6.730 0.000 -9.858) 11.937 8.476 ( -3.021 0.000 8.226) 8.764 8.695 ( -6.211 0.000 12.492) 13.951 8.793 ( 3.501 0.000 12.641) 13.117 8.981 ( -0.290 0.000 -16.615) 16.617 9.283 ( -9.316 0.000 0.007) 9.316 9.314 ( -7.576 0.000 -7.966) 10.994 10.002 ( 9.402 0.000 20.296) 22.368 10.122 ( 1.854 0.000 30.781) 30.837 10.133 ( -0.729 0.000 31.712) 31.721 10.735 ( -12.369 0.000 4.246) 13.077 10.890 ( -6.276 0.000 2.440) 6.734 11.030 ( -6.117 0.000 -2.897) 6.769 11.094 ( -6.756 0.000 -1.241) 6.869 11.162 ( -2.782 0.000 -17.515) 17.734 11.162 ( 4.212 0.000 -7.383) 8.501 11.273 ( -5.330 0.000 -8.955) 10.421 11.352 ( 2.473 0.000 18.133) 18.301 11.535 ( 11.642 0.000 5.113) 12.715 11.880 ( -4.625 0.000 8.797) 9.938 11.890 ( -4.465 0.000 9.287) 10.305 11.937 ( 4.343 0.000 -14.596) 15.228 12.070 ( 1.281 0.000 0.772) 1.496 12.132 ( 9.645 0.000 -3.092) 10.129 12.245 ( 5.561 0.000 -8.015) 9.755 12.833 ( 2.733 0.000 21.063) 21.240 13.196 ( -6.112 0.000 23.631) 24.409 13.423 ( 2.912 0.000 20.683) 20.887 13.830 ( -6.099 0.000 0.252) 6.104 13.902 ( 1.241 0.000 -0.765) 1.458 14.004 ( -4.300 0.000 -18.091) 18.595 14.080 ( -8.314 0.000 -2.220) 8.606 14.149 ( 2.494 0.000 -12.276) 12.527 14.320 ( 2.410 0.000 -15.136) 15.326 14.378 ( 10.347 0.000 1.814) 10.505 14.493 ( -0.264 0.000 -18.091) 18.093 14.553 ( 1.603 0.000 -4.371) 4.656 14.748 ( 6.184 0.000 -17.033) 18.121 14.878 ( 11.101 0.000 -26.206) 28.460 15.611 ( -4.991 0.000 5.725) 7.595 15.881 ( 3.003 0.000 -5.454) 6.226 15.996 ( 4.234 0.000 3.015) 5.198 15.996 ( 5.324 0.000 4.328) 6.861 17.420 ( -18.420 0.000 6.403) 19.501 17.752 ( -8.882 0.000 2.092) 9.124 17.826 ( -1.680 0.000 -1.313) 2.132 17.963 ( -2.528 0.000 -2.390) 3.479 18.044 ( 4.691 0.000 -0.369) 4.705 18.286 ( 4.680 0.000 -8.899) 10.055 22.325 ( 0.926 0.000 -0.882) 1.279 22.477 ( 15.361 0.000 -1.644) 15.449 22.584 ( -1.299 0.000 -1.141) 1.729 22.684 ( 9.652 0.000 -1.791) 9.817 24.225 ( -5.218 0.000 20.860) 21.503 25.081 ( -8.726 0.000 -20.124) 21.934 27.131 ( -1.982 0.000 0.874) 2.166 27.175 ( -1.701 0.000 -0.347) 1.736 ======================= Grid point 326 (63/90) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 2.992 ( 5.275 0.000 17.946) 18.705 3.025 ( 5.838 0.000 18.069) 18.989 3.556 ( -6.494 0.000 -4.475) 7.887 3.620 ( -8.392 0.000 -5.741) 10.168 3.984 ( 14.533 0.000 13.010) 19.506 4.312 ( 10.017 0.000 -2.386) 10.297 6.936 ( 8.495 0.000 -3.555) 9.209 6.962 ( 12.395 0.000 -3.960) 13.012 7.096 ( 10.444 0.000 -8.719) 13.605 7.133 ( 14.280 0.000 -6.073) 15.517 8.338 ( -12.748 0.000 9.172) 15.704 8.548 ( -9.475 0.000 8.714) 12.873 8.875 ( 4.531 0.000 11.233) 12.112 8.942 ( -3.850 0.000 -15.031) 15.516 9.111 ( -7.653 0.000 6.855) 10.274 9.159 ( -7.120 0.000 -10.120) 12.374 10.097 ( -0.393 0.000 26.997) 27.000 10.169 ( 3.108 0.000 27.520) 27.695 10.218 ( 10.550 0.000 11.736) 15.780 10.542 ( -7.723 0.000 10.036) 12.663 10.716 ( -11.454 0.000 7.709) 13.807 10.949 ( -1.796 0.000 -4.138) 4.511 10.972 ( -6.671 0.000 -11.600) 13.382 11.092 ( -4.222 0.000 -7.322) 8.452 11.148 ( -6.995 0.000 -8.804) 11.244 11.199 ( -0.952 0.000 -10.742) 10.784 11.376 ( 0.254 0.000 19.611) 19.613 11.712 ( 5.331 0.000 5.535) 7.685 11.760 ( -9.065 0.000 12.812) 15.695 11.800 ( -2.682 0.000 4.584) 5.311 12.030 ( 7.973 0.000 -7.392) 10.873 12.123 ( 4.784 0.000 3.702) 6.049 12.368 ( 6.706 0.000 -8.405) 10.752 12.391 ( 14.857 0.000 -2.522) 15.069 12.903 ( 3.690 0.000 18.899) 19.256 13.066 ( -6.840 0.000 20.528) 21.637 13.432 ( -2.470 0.000 10.491) 10.777 13.715 ( -4.919 0.000 0.190) 4.923 13.904 ( -10.092 0.000 -0.097) 10.092 13.917 ( -5.025 0.000 -13.344) 14.258 13.963 ( 5.156 0.000 1.907) 5.497 14.211 ( 3.909 0.000 -21.458) 21.811 14.328 ( -1.586 0.000 -10.911) 11.025 14.450 ( -0.471 0.000 -20.925) 20.930 14.615 ( 9.523 0.000 -9.111) 13.179 14.628 ( 6.789 0.000 -4.140) 7.952 14.850 ( 4.279 0.000 -14.487) 15.106 15.170 ( 18.964 0.000 -11.032) 21.939 15.476 ( -9.031 0.000 7.077) 11.474 15.972 ( 6.003 0.000 -4.881) 7.737 16.081 ( 4.429 0.000 0.952) 4.531 16.138 ( 8.909 0.000 2.554) 9.268 17.043 ( -19.625 0.000 1.883) 19.715 17.541 ( -13.126 0.000 2.901) 13.443 17.786 ( -2.262 0.000 -1.726) 2.846 17.898 ( -4.146 0.000 -2.531) 4.858 18.133 ( 4.589 0.000 0.568) 4.624 18.344 ( 1.209 0.000 -4.260) 4.428 22.351 ( 1.796 0.000 -0.925) 2.020 22.549 ( -2.324 0.000 -1.123) 2.581 22.790 ( 16.086 0.000 2.307) 16.251 22.988 ( 21.959 0.000 -7.158) 23.096 24.084 ( -9.369 0.000 18.346) 20.600 24.845 ( -15.967 0.000 -17.493) 23.684 27.086 ( -2.271 0.000 -0.139) 2.276 27.139 ( -2.072 0.000 -0.623) 2.163 ======================= Grid point 327 (64/90) ======================= q-point: ( 0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 3.111 ( 7.274 0.000 11.066) 13.242 3.148 ( 7.073 0.000 11.766) 13.728 3.427 ( -7.164 0.000 -0.602) 7.190 3.445 ( -9.765 0.000 -1.207) 9.839 4.254 ( 12.890 0.000 9.050) 15.750 4.449 ( 3.687 0.000 0.918) 3.800 7.104 ( 8.962 0.000 -3.159) 9.503 7.243 ( 17.260 0.000 -1.029) 17.291 7.252 ( 4.531 0.000 -5.671) 7.259 7.461 ( 19.803 0.000 -1.809) 19.886 8.017 ( -19.738 0.000 5.626) 20.524 8.287 ( -18.516 0.000 3.171) 18.786 8.898 ( 0.646 0.000 -10.493) 10.513 8.939 ( 2.243 0.000 10.223) 10.466 9.025 ( -1.835 0.000 9.104) 9.288 9.054 ( -5.015 0.000 -11.183) 12.256 10.111 ( 2.870 0.000 21.100) 21.294 10.242 ( 4.642 0.000 22.986) 23.450 10.386 ( 1.519 0.000 8.404) 8.540 10.431 ( -4.847 0.000 14.644) 15.425 10.516 ( -3.851 0.000 5.530) 6.739 10.823 ( -9.046 0.000 -9.926) 13.430 10.959 ( 2.635 0.000 -4.791) 5.468 11.022 ( -2.684 0.000 -1.398) 3.026 11.042 ( -3.917 0.000 -8.031) 8.935 11.137 ( -4.939 0.000 -8.184) 9.559 11.383 ( 1.186 0.000 18.995) 19.032 11.579 ( -9.160 0.000 17.646) 19.881 11.742 ( 0.388 0.000 3.505) 3.526 11.780 ( -0.832 0.000 0.232) 0.863 12.248 ( 8.003 0.000 2.758) 8.465 12.256 ( 14.448 0.000 -3.416) 14.846 12.457 ( 1.314 0.000 -8.152) 8.257 12.594 ( 4.197 0.000 0.109) 4.198 12.922 ( -1.284 0.000 24.555) 24.589 12.983 ( -1.837 0.000 12.946) 13.076 13.384 ( 0.056 0.000 1.472) 1.473 13.670 ( 0.420 0.000 -2.581) 2.615 13.699 ( -11.508 0.000 0.725) 11.531 13.818 ( -5.383 0.000 -9.172) 10.635 14.076 ( 6.142 0.000 0.741) 6.186 14.272 ( -4.014 0.000 -6.406) 7.559 14.290 ( 4.243 0.000 -25.647) 25.995 14.421 ( -2.364 0.000 -28.287) 28.386 14.772 ( 6.822 0.000 -8.127) 10.611 14.806 ( 11.563 0.000 -0.014) 11.563 14.895 ( 0.459 0.000 -11.495) 11.504 15.278 ( -11.738 0.000 6.786) 13.559 15.559 ( 21.513 0.000 -5.159) 22.123 16.084 ( 5.291 0.000 -3.807) 6.518 16.148 ( 2.249 0.000 -0.832) 2.398 16.225 ( -4.726 0.000 0.098) 4.727 16.798 ( -1.577 0.000 1.063) 1.901 17.266 ( -15.755 0.000 2.557) 15.961 17.753 ( -0.938 0.000 -2.212) 2.403 17.818 ( -3.989 0.000 -2.636) 4.781 18.215 ( 4.147 0.000 0.460) 4.172 18.337 ( -1.731 0.000 -1.535) 2.314 22.392 ( 2.510 0.000 -0.982) 2.695 22.499 ( -2.883 0.000 -1.089) 3.082 23.095 ( 16.432 0.000 6.127) 17.537 23.391 ( 15.860 0.000 -6.042) 16.972 23.919 ( -4.458 0.000 10.148) 11.084 24.496 ( -20.479 0.000 -14.281) 24.967 27.059 ( -0.496 0.000 -1.049) 1.160 27.099 ( -2.041 0.000 -1.093) 2.315 ======================= Grid point 328 (65/90) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 3.265 ( -9.050 0.000 4.434) 10.078 3.265 ( 9.050 0.000 4.434) 10.078 3.287 ( -7.579 0.000 5.180) 9.180 3.287 ( 7.579 0.000 5.180) 9.180 4.433 ( -5.452 0.000 4.773) 7.246 4.433 ( 5.452 0.000 4.773) 7.246 7.244 ( -4.879 0.000 -3.503) 6.006 7.244 ( 4.879 0.000 -3.503) 6.006 7.597 ( -18.645 0.000 4.680) 19.223 7.597 ( 18.645 0.000 4.680) 19.223 7.897 ( -20.354 0.000 -2.297) 20.483 7.897 ( 20.354 0.000 -2.297) 20.483 8.958 ( -4.833 0.000 -9.770) 10.900 8.958 ( 4.833 0.000 -9.770) 10.900 8.987 ( -2.735 0.000 9.616) 9.997 8.987 ( 2.735 0.000 9.616) 9.997 10.228 ( -9.429 0.000 14.536) 17.326 10.228 ( 9.429 0.000 14.536) 17.326 10.337 ( -5.175 0.000 18.589) 19.296 10.337 ( 5.175 0.000 18.589) 19.296 10.644 ( -9.634 0.000 -2.992) 10.087 10.644 ( 9.634 0.000 -2.992) 10.087 11.001 ( -0.473 0.000 -4.479) 4.504 11.001 ( 0.473 0.000 -4.479) 4.504 11.037 ( -5.197 0.000 -5.742) 7.745 11.037 ( 5.197 0.000 -5.742) 7.745 11.440 ( -5.172 0.000 19.335) 20.015 11.440 ( 5.172 0.000 19.335) 20.015 11.758 ( -1.229 0.000 0.628) 1.380 11.758 ( 1.229 0.000 0.628) 1.380 12.397 ( -6.798 0.000 -1.744) 7.018 12.397 ( 6.798 0.000 -1.744) 7.018 12.514 ( -11.128 0.000 -0.753) 11.153 12.514 ( 11.128 0.000 -0.753) 11.153 12.938 ( -2.701 0.000 17.389) 17.597 12.938 ( 2.701 0.000 17.389) 17.597 13.487 ( -9.901 0.000 -0.246) 9.904 13.487 ( 9.901 0.000 -0.246) 9.904 13.722 ( -4.458 0.000 -5.669) 7.212 13.722 ( 4.458 0.000 -5.669) 7.212 14.184 ( -5.234 0.000 -2.694) 5.886 14.184 ( 5.234 0.000 -2.694) 5.886 14.364 ( -3.573 0.000 -28.244) 28.469 14.364 ( 3.573 0.000 -28.244) 28.469 14.868 ( -3.324 0.000 -9.504) 10.069 14.868 ( 3.324 0.000 -9.504) 10.069 15.042 ( -12.979 0.000 4.499) 13.737 15.042 ( 12.979 0.000 4.499) 13.737 15.956 ( -19.763 0.000 -2.474) 19.917 15.956 ( 19.763 0.000 -2.474) 19.917 16.154 ( -1.777 0.000 -2.430) 3.010 16.154 ( 1.777 0.000 -2.430) 3.010 16.968 ( -14.925 0.000 1.845) 15.038 16.968 ( 14.925 0.000 1.845) 15.038 17.760 ( -1.824 0.000 -2.553) 3.138 17.760 ( 1.824 0.000 -2.553) 3.138 18.287 ( -3.355 0.000 -0.152) 3.358 18.287 ( 3.355 0.000 -0.152) 3.358 22.443 ( -2.921 0.000 -1.041) 3.101 22.443 ( 2.921 0.000 -1.041) 3.101 23.385 ( -12.609 0.000 7.416) 14.628 23.385 ( 12.609 0.000 7.416) 14.628 24.101 ( -19.879 0.000 -9.336) 21.962 24.101 ( 19.879 0.000 -9.336) 21.962 27.067 ( -1.240 0.000 -1.356) 1.838 27.067 ( 1.240 0.000 -1.356) 1.838 ======================= Grid point 334 (66/90) ======================= q-point: ( 0.12 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 2.937 ( 2.965 2.965 19.973) 20.408 2.987 ( 4.996 4.996 22.856) 23.923 3.594 ( -6.118 -6.118 -4.913) 9.949 3.743 ( 4.553 4.553 5.150) 8.245 3.891 ( 4.838 4.838 -0.431) 6.856 4.123 ( 3.419 3.419 -2.786) 5.581 6.744 ( 1.114 1.114 -2.747) 3.167 6.877 ( 1.438 1.438 -8.989) 9.216 6.969 ( 11.025 11.025 -5.011) 16.377 7.060 ( 9.325 9.325 -9.671) 16.354 8.442 ( -4.237 -4.237 9.074) 10.874 8.699 ( -3.370 -3.370 9.931) 11.015 8.769 ( 1.484 1.484 12.225) 12.404 8.979 ( -0.242 -0.242 -16.872) 16.875 9.125 ( -9.815 -9.815 1.806) 13.997 9.370 ( -0.612 -0.612 -8.267) 8.312 10.025 ( 3.141 3.141 20.996) 21.461 10.102 ( -1.415 -1.415 31.081) 31.146 10.168 ( 2.685 2.685 26.732) 27.000 10.666 ( -6.611 -6.611 6.758) 11.536 10.822 ( -7.127 -7.127 8.788) 13.373 10.987 ( -6.137 -6.137 -8.538) 12.174 11.046 ( -5.759 -5.759 -18.042) 19.795 11.048 ( 0.382 0.382 -2.352) 2.413 11.213 ( -6.899 -6.899 -12.859) 16.141 11.288 ( 3.985 3.985 -18.693) 19.524 11.303 ( -0.020 -0.020 31.500) 31.500 11.671 ( 9.016 9.016 7.147) 14.618 11.841 ( -2.965 -2.965 6.095) 7.398 11.874 ( -2.830 -2.830 11.520) 12.195 12.014 ( 5.327 5.327 -12.570) 14.654 12.071 ( 2.099 2.099 6.962) 7.568 12.178 ( 4.826 4.826 -9.107) 11.381 12.311 ( 7.095 7.095 -6.521) 11.967 12.845 ( 1.722 1.722 21.370) 21.509 13.137 ( -5.589 -5.589 22.201) 23.566 13.470 ( 3.538 3.538 18.458) 19.124 13.758 ( -6.003 -6.003 1.250) 8.581 13.887 ( -1.142 -1.142 -4.691) 4.961 13.969 ( -3.050 -3.050 -15.147) 15.749 14.043 ( -1.661 -1.661 -5.323) 5.819 14.263 ( 2.889 2.889 -13.214) 13.831 14.333 ( 4.839 4.839 -4.943) 8.442 14.381 ( -2.806 -2.806 -18.605) 19.023 14.451 ( 5.288 5.288 -4.178) 8.566 14.715 ( 8.014 8.014 -3.817) 11.959 14.776 ( 3.123 3.123 -16.220) 16.811 14.904 ( 4.972 4.972 -25.307) 26.266 15.596 ( -2.232 -2.232 7.381) 8.028 15.879 ( 1.257 1.257 -5.785) 6.051 16.033 ( 3.991 3.991 2.588) 6.209 16.045 ( 4.300 4.300 2.562) 6.598 17.354 ( -9.922 -9.922 6.916) 15.644 17.524 ( -13.098 -13.098 -2.158) 18.649 17.780 ( -6.111 -6.111 1.337) 8.745 17.927 ( -3.964 -3.964 -4.206) 7.009 18.168 ( 7.743 7.743 0.649) 10.970 18.325 ( 3.718 3.718 -6.477) 8.343 22.419 ( 5.101 5.101 1.370) 7.343 22.520 ( 7.976 7.976 -3.363) 11.771 22.639 ( 2.335 2.335 0.263) 3.312 22.723 ( 8.069 8.069 -4.578) 12.296 24.178 ( -4.962 -4.962 20.212) 21.396 25.003 ( -8.136 -8.136 -19.256) 22.432 27.113 ( -1.901 -1.901 0.651) 2.766 27.152 ( -2.133 -2.133 -0.606) 3.077 ======================= Grid point 335 (67/90) ======================= q-point: ( 0.25 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 3.028 ( 6.654 3.828 14.672) 16.559 3.090 ( 5.407 6.044 18.468) 20.170 3.483 ( -5.593 -3.134 -1.199) 6.522 3.758 ( -5.653 9.404 -6.328) 12.666 4.006 ( 10.576 2.629 10.475) 15.116 4.259 ( 8.884 -5.330 -1.423) 10.457 6.807 ( 5.169 -4.923 -1.241) 7.245 6.944 ( 5.715 -7.474 -5.456) 10.876 7.200 ( 12.442 15.015 -5.189) 20.179 7.297 ( 15.466 9.852 -6.140) 19.338 8.288 ( -12.327 -5.433 9.667) 16.581 8.555 ( -10.494 -0.599 4.243) 11.335 8.848 ( 3.439 0.184 4.739) 5.858 8.933 ( -5.522 -2.888 2.481) 6.708 9.015 ( 1.403 -3.300 -8.734) 9.441 9.292 ( -6.329 7.745 -5.292) 11.316 10.061 ( -1.451 -3.009 25.928) 26.142 10.140 ( 7.386 -5.222 18.829) 20.889 10.221 ( 2.742 2.398 20.741) 21.058 10.524 ( -7.441 -2.009 9.888) 12.537 10.658 ( -9.862 -5.926 10.089) 15.302 10.865 ( -5.793 -6.657 -9.385) 12.882 10.955 ( -4.100 -9.221 -13.492) 16.849 11.010 ( -8.399 -1.596 -5.895) 10.385 11.111 ( 0.627 0.661 -4.045) 4.146 11.317 ( -0.029 5.301 -9.701) 11.055 11.327 ( 0.833 -1.273 17.607) 17.672 11.740 ( -5.652 0.777 11.078) 12.461 11.803 ( -2.319 0.767 6.812) 7.236 11.816 ( 2.152 4.485 5.155) 7.164 12.110 ( 7.337 6.244 -7.228) 12.044 12.145 ( 4.628 3.680 5.464) 8.051 12.319 ( 8.507 -1.634 -7.682) 11.578 12.505 ( 12.390 8.743 -4.300) 15.762 12.896 ( 2.381 -0.386 22.092) 22.223 13.017 ( -5.927 -4.442 18.352) 19.791 13.483 ( -3.018 4.166 8.183) 9.666 13.658 ( -3.777 -4.905 1.152) 6.297 13.835 ( -5.019 -3.136 -9.810) 11.456 13.934 ( -2.192 0.027 -1.114) 2.459 14.013 ( 1.078 2.255 -5.903) 6.410 14.268 ( -0.108 1.299 -17.610) 17.658 14.340 ( -0.963 6.315 -17.235) 18.381 14.455 ( 5.043 1.161 -9.785) 11.069 14.599 ( 8.905 -1.833 -5.913) 10.846 14.773 ( 1.341 12.246 -7.763) 14.561 14.847 ( 3.280 0.497 -15.408) 15.761 15.132 ( 16.061 -3.350 -9.811) 19.117 15.515 ( -5.365 3.566 7.224) 9.679 15.958 ( 6.656 -1.055 -6.025) 9.040 16.115 ( 4.135 3.458 0.773) 5.445 16.156 ( 6.997 1.893 1.640) 7.432 17.029 ( -19.521 -1.439 1.712) 19.648 17.369 ( -7.307 -16.751 2.241) 18.412 17.643 ( -7.276 -10.517 -0.150) 12.789 17.817 ( -7.188 -7.820 -4.929) 11.710 18.285 ( 4.964 10.636 0.517) 11.749 18.396 ( 3.050 4.803 -2.877) 6.376 22.461 ( 1.428 10.575 0.745) 10.697 22.614 ( -1.317 6.416 -0.353) 6.559 22.789 ( 14.983 -0.066 2.161) 15.138 23.020 ( 21.011 4.077 -9.334) 23.350 24.043 ( -8.980 -4.308 17.942) 20.521 24.782 ( -15.019 -6.587 -17.024) 23.638 27.067 ( -2.548 -2.012 -0.293) 3.260 27.108 ( -2.356 -2.964 -0.982) 3.911 ======================= Grid point 336 (68/90) ======================= q-point: ( 0.38 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 3.182 ( 8.697 4.396 9.233) 13.425 3.188 ( 5.955 6.698 11.862) 14.867 3.381 ( -5.317 -0.061 2.742) 5.983 3.592 ( -10.617 10.438 -2.813) 15.152 4.229 ( 11.292 -2.481 7.669) 13.873 4.391 ( 3.971 -6.036 0.914) 7.282 6.930 ( 7.465 -11.148 0.622) 13.431 7.052 ( 4.120 -14.311 -0.581) 14.903 7.441 ( 13.102 12.301 -2.832) 18.193 7.609 ( 17.323 10.676 -3.867) 20.713 8.006 ( -16.400 -1.786 6.576) 17.759 8.298 ( -16.667 1.396 -1.073) 16.759 8.829 ( -0.943 -3.379 -2.545) 4.334 8.912 ( -0.665 -0.842 2.978) 3.166 9.085 ( 4.084 3.194 -3.587) 6.305 9.191 ( -3.211 11.584 0.612) 12.036 10.052 ( 1.466 -4.663 21.233) 21.789 10.247 ( -0.321 -8.993 6.135) 10.891 10.294 ( 5.382 1.399 23.835) 24.475 10.418 ( -1.391 -3.718 11.010) 11.704 10.476 ( -7.850 -3.742 6.691) 10.972 10.746 ( -8.849 -7.029 -2.085) 11.492 10.866 ( -3.826 -7.592 -1.984) 8.730 10.888 ( -3.007 -9.517 -8.933) 13.394 11.152 ( 2.773 8.946 -6.655) 11.489 11.274 ( -3.329 9.101 -12.749) 16.014 11.365 ( 3.014 -0.712 22.410) 22.623 11.588 ( -8.507 1.302 17.594) 19.586 11.791 ( 0.547 3.643 1.253) 3.891 11.832 ( -0.591 4.865 1.019) 5.006 12.242 ( 6.788 0.148 0.118) 6.791 12.306 ( 10.400 3.495 -4.480) 11.851 12.447 ( 4.727 0.251 -2.639) 5.420 12.680 ( 2.389 7.183 0.801) 7.612 12.881 ( -0.477 -3.643 22.905) 23.198 12.974 ( -0.656 0.264 14.135) 14.152 13.416 ( -1.292 2.730 -0.739) 3.110 13.605 ( -3.413 -3.818 -1.294) 5.282 13.732 ( -3.867 1.175 -4.495) 6.045 13.849 ( -5.624 2.121 -2.600) 6.549 14.088 ( 4.829 1.275 -6.544) 8.232 14.236 ( -3.020 -0.227 -17.159) 17.424 14.371 ( 3.609 6.604 -16.541) 18.172 14.496 ( -0.828 3.917 -14.485) 15.028 14.751 ( 6.747 -2.366 -8.130) 10.827 14.841 ( 5.112 2.552 -3.715) 6.815 14.894 ( 3.029 2.439 -10.856) 11.532 15.251 ( -7.270 -1.961 5.430) 9.283 15.597 ( 17.396 3.767 -3.634) 18.167 16.091 ( 6.405 0.558 -4.530) 7.865 16.177 ( 1.978 2.907 -0.936) 3.639 16.223 ( -4.504 0.065 -0.259) 4.512 16.768 ( -3.316 -2.977 0.739) 4.517 17.178 ( -13.097 -9.229 2.917) 16.286 17.551 ( -1.808 -16.604 -2.197) 16.846 17.678 ( -7.031 -12.686 -3.980) 15.040 18.364 ( 3.463 11.147 0.148) 11.673 18.428 ( 0.396 7.746 -1.033) 7.824 22.492 ( 1.870 9.985 0.312) 10.163 22.576 ( -2.326 7.814 -0.155) 8.155 23.089 ( 16.365 -0.619 5.893) 17.405 23.402 ( 14.732 1.368 -7.146) 16.431 23.885 ( -4.036 -3.598 9.890) 11.271 24.452 ( -19.518 -4.651 -14.227) 24.597 27.032 ( -0.874 -2.659 -1.274) 3.075 27.066 ( -2.085 -3.352 -1.431) 4.199 ======================= Grid point 337 (69/90) ======================= q-point: (-0.50 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 3.282 ( -5.111 2.735 7.193) 9.238 3.282 ( 5.111 2.735 7.193) 9.238 3.383 ( -11.126 8.609 2.500) 14.289 3.383 ( 11.126 8.609 2.500) 14.289 4.386 ( -4.583 -4.862 4.075) 7.826 4.386 ( 4.583 -4.862 4.075) 7.826 7.053 ( -4.216 -15.470 1.703) 16.124 7.053 ( 4.216 -15.470 1.703) 16.124 7.701 ( -14.761 6.263 2.424) 16.217 7.701 ( 14.761 6.263 2.424) 16.217 7.956 ( -18.633 6.451 -3.737) 20.069 7.956 ( 18.633 6.451 -3.737) 20.069 8.861 ( -3.516 -3.473 -2.399) 5.494 8.861 ( 3.516 -3.473 -2.399) 5.494 9.149 ( -2.663 10.005 1.688) 10.490 9.149 ( 2.663 10.004 1.688) 10.490 10.140 ( -7.467 -7.076 14.413) 17.708 10.140 ( 7.467 -7.076 14.413) 17.708 10.359 ( -3.915 -0.124 12.051) 12.672 10.359 ( 3.915 -0.124 12.051) 12.672 10.554 ( -10.283 -7.851 5.909) 14.223 10.554 ( 10.283 -7.851 5.909) 14.223 10.848 ( -0.968 -9.148 -5.035) 10.487 10.848 ( 0.968 -9.148 -5.035) 10.487 11.210 ( -3.327 10.637 -8.974) 14.309 11.210 ( 3.327 10.637 -8.974) 14.309 11.449 ( -5.988 1.256 20.626) 21.515 11.449 ( 5.988 1.256 20.626) 21.515 11.810 ( -1.320 4.731 -0.442) 4.932 11.810 ( 1.320 4.731 -0.442) 4.932 12.363 ( -4.542 -1.933 -4.471) 6.660 12.363 ( 4.542 -1.933 -4.471) 6.660 12.584 ( -9.433 4.324 4.808) 11.436 12.584 ( 9.433 4.324 4.808) 11.436 12.930 ( -3.615 0.714 15.715) 16.141 12.930 ( 3.615 0.714 15.715) 16.141 13.485 ( -7.372 -0.186 -2.858) 7.909 13.485 ( 7.372 -0.186 -2.858) 7.909 13.749 ( -4.303 2.116 -2.772) 5.539 13.749 ( 4.303 2.116 -2.772) 5.539 14.170 ( -3.871 0.221 -12.346) 12.940 14.170 ( 3.871 0.221 -12.346) 12.940 14.445 ( -3.802 5.851 -16.327) 17.756 14.445 ( 3.802 5.851 -16.327) 17.756 14.844 ( -3.041 -2.429 -9.701) 10.452 14.844 ( 3.041 -2.429 -9.701) 10.452 15.056 ( -11.285 2.320 3.358) 12.001 15.056 ( 11.285 2.320 3.358) 12.001 15.963 ( -19.105 1.005 -2.638) 19.312 15.963 ( 19.105 1.005 -2.638) 19.312 16.176 ( -2.290 2.178 -2.660) 4.130 16.176 ( 2.290 2.178 -2.660) 4.130 16.910 ( -13.746 -5.888 1.697) 15.050 16.910 ( 13.746 -5.888 1.697) 15.050 17.572 ( -3.731 -16.476 -3.025) 17.161 17.572 ( 3.731 -16.476 -3.025) 17.161 18.414 ( -1.808 10.107 -0.247) 10.271 18.414 ( 1.808 10.107 -0.247) 10.271 22.532 ( -2.300 8.907 0.041) 9.199 22.532 ( 2.300 8.907 0.041) 9.199 23.379 ( -12.847 -0.590 7.165) 14.722 23.379 ( 12.847 -0.590 7.165) 14.722 24.072 ( -19.424 -3.079 -9.745) 21.949 24.072 ( 19.424 -3.079 -9.745) 21.949 27.035 ( -1.025 -3.228 -1.652) 3.768 27.035 ( 1.025 -3.228 -1.652) 3.768 ======================= Grid point 344 (70/90) ======================= q-point: ( 0.25 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 3.138 ( 7.819 7.819 10.267) 15.090 3.211 ( 6.001 6.001 13.990) 16.363 3.453 ( -0.547 -0.547 5.747) 5.799 3.905 ( 3.702 3.702 -6.736) 8.531 4.086 ( 4.173 4.173 4.815) 7.616 4.153 ( -1.996 -1.996 2.317) 3.652 6.748 ( -1.772 -1.772 2.282) 3.390 6.834 ( -3.879 -3.879 -1.369) 5.654 7.461 ( 9.995 9.995 -2.808) 14.411 7.528 ( 16.490 16.490 -5.247) 23.903 8.138 ( -9.960 -9.960 10.253) 17.422 8.488 ( -6.081 -6.081 -5.260) 10.080 8.834 ( -4.294 -4.294 2.408) 6.533 8.959 ( 8.115 8.115 11.538) 16.274 8.983 ( -0.603 -0.603 -13.650) 13.676 9.403 ( 3.298 3.298 -6.295) 7.835 9.993 ( -3.553 -3.553 21.162) 21.750 10.051 ( -3.046 -3.046 17.006) 17.543 10.269 ( 2.348 2.348 23.934) 24.163 10.453 ( -5.752 -5.752 5.897) 10.047 10.522 ( -7.537 -7.537 11.961) 16.022 10.718 ( -8.553 -8.553 -7.307) 14.132 10.811 ( -5.637 -5.637 -8.671) 11.779 10.868 ( -9.585 -9.585 -3.701) 14.052 11.211 ( 6.689 6.689 -6.609) 11.540 11.318 ( 1.763 1.763 27.288) 27.402 11.413 ( 3.170 3.170 -22.117) 22.567 11.726 ( -3.517 -3.517 17.188) 17.893 11.805 ( 1.306 1.306 -1.024) 2.112 11.892 ( 2.692 2.692 8.279) 9.112 12.192 ( 4.353 4.353 -9.718) 11.504 12.287 ( 7.353 7.353 14.066) 17.492 12.322 ( 3.086 3.086 -13.048) 13.758 12.708 ( 12.079 12.079 -3.110) 17.363 12.849 ( -6.102 -6.102 25.108) 26.550 12.979 ( 2.215 2.215 16.805) 17.095 13.527 ( -1.247 -1.247 -0.740) 1.913 13.568 ( -3.279 -3.279 -1.339) 4.826 13.786 ( -2.719 -2.719 -6.342) 7.417 13.945 ( 0.124 0.124 -3.026) 3.031 14.021 ( 0.578 0.578 -3.553) 3.645 14.288 ( 2.065 2.065 -19.894) 20.107 14.493 ( 1.579 1.579 -7.116) 7.458 14.501 ( 5.477 5.477 -20.655) 22.060 14.552 ( 0.685 0.685 1.955) 2.182 14.834 ( -0.102 -0.102 -13.929) 13.930 15.051 ( 8.316 8.316 -1.467) 11.852 15.089 ( 4.784 4.784 -10.906) 12.835 15.582 ( 3.075 3.075 7.616) 8.770 15.970 ( 3.634 3.634 -9.177) 10.518 16.194 ( 3.953 3.953 0.305) 5.598 16.209 ( 3.880 3.880 0.243) 5.492 16.980 ( -9.542 -9.542 1.814) 13.616 17.016 ( -12.816 -12.816 0.127) 18.125 17.429 ( -12.036 -12.036 1.258) 17.068 17.625 ( -11.931 -11.931 -6.941) 18.245 18.455 ( 7.042 7.042 0.392) 9.967 18.496 ( 5.247 5.247 -1.473) 7.565 22.656 ( 6.777 6.777 5.000) 10.810 22.778 ( 5.019 5.019 5.451) 8.950 22.795 ( 7.594 7.594 -1.981) 10.921 23.182 ( 13.553 13.553 -14.142) 23.820 23.924 ( -8.053 -8.053 16.471) 20.025 24.601 ( -12.429 -12.429 -15.766) 23.612 27.016 ( -3.036 -3.036 -0.868) 4.380 27.044 ( -3.399 -3.399 -1.790) 5.130 ======================= Grid point 345 (71/90) ======================= q-point: ( 0.38 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 3.291 ( 5.569 7.273 8.749) 12.667 3.329 ( 8.586 6.746 5.447) 12.202 3.442 ( -0.413 6.237 10.596) 12.302 3.808 ( -11.082 11.694 -3.274) 16.440 4.169 ( 6.387 -3.997 3.625) 8.361 4.234 ( 4.608 -9.690 0.939) 10.771 6.733 ( 0.282 -9.519 4.970) 10.742 6.789 ( -1.638 -12.668 3.974) 13.378 7.626 ( 7.934 6.915 2.548) 10.828 7.844 ( 16.174 14.263 -6.584) 22.547 7.943 ( -9.892 -4.317 9.408) 14.318 8.341 ( -9.498 2.764 -9.563) 13.759 8.785 ( -0.306 -1.548 -0.981) 1.858 8.921 ( -4.593 0.299 -8.843) 9.969 9.167 ( 10.969 6.706 5.715) 14.070 9.412 ( -1.814 11.041 -1.279) 11.262 9.957 ( -0.205 -5.638 19.443) 20.245 10.027 ( -0.128 -11.627 7.034) 13.589 10.305 ( 0.136 -4.356 23.764) 24.160 10.343 ( -3.965 -3.873 1.243) 5.681 10.384 ( -5.537 -2.215 7.937) 9.928 10.569 ( -7.676 -11.263 13.423) 19.130 10.706 ( -4.472 -8.596 -7.279) 12.120 10.739 ( -4.120 -5.777 -7.503) 10.326 11.320 ( 4.799 7.598 -2.987) 9.470 11.384 ( 4.736 3.865 19.220) 20.169 11.440 ( -0.048 7.493 -18.688) 20.134 11.621 ( -6.585 1.533 18.878) 20.052 11.851 ( 2.977 2.663 -2.634) 4.785 11.920 ( 0.247 3.701 2.940) 4.733 12.274 ( 4.230 3.408 -5.312) 7.598 12.357 ( 2.702 2.685 -8.350) 9.178 12.460 ( 7.661 -0.007 9.472) 12.182 12.710 ( -7.004 -5.841 21.695) 23.534 12.924 ( 8.804 10.126 3.574) 13.886 13.033 ( 2.142 5.827 16.726) 17.841 13.460 ( -2.531 1.552 -6.922) 7.532 13.545 ( -1.273 -2.384 -4.610) 5.344 13.736 ( -1.370 -1.039 -5.408) 5.674 13.883 ( -5.483 1.743 -2.851) 6.421 14.092 ( 5.427 -1.188 -5.245) 7.640 14.302 ( -2.999 6.061 -14.836) 16.304 14.468 ( 0.808 0.730 -8.318) 8.389 14.531 ( 0.504 2.246 -7.483) 7.829 14.687 ( 7.236 -3.587 -10.813) 13.496 14.825 ( -0.961 -1.945 -12.831) 13.013 15.076 ( 2.509 13.022 -3.045) 13.607 15.241 ( 0.769 1.365 4.147) 4.433 15.700 ( 12.410 7.390 -1.258) 14.498 16.098 ( 8.294 0.484 -7.518) 11.205 16.244 ( -0.973 3.352 -1.129) 3.669 16.250 ( -1.243 3.684 -0.722) 3.955 16.696 ( -7.920 -4.278 -0.089) 9.002 16.934 ( -5.706 -15.850 1.758) 16.937 17.225 ( -7.351 -17.067 -1.460) 18.640 17.395 ( -11.699 -16.548 -6.274) 21.214 18.554 ( 3.685 8.440 -0.039) 9.209 18.575 ( 2.720 7.064 -0.654) 7.598 22.723 ( 1.825 12.679 4.428) 13.553 22.771 ( -0.981 12.330 3.114) 12.755 23.076 ( 16.155 -0.545 4.580) 16.801 23.459 ( 10.172 5.239 -10.520) 15.543 23.782 ( -2.740 -7.352 8.911) 11.873 24.323 ( -16.736 -8.940 -14.115) 23.648 26.968 ( -1.707 -3.804 -1.875) 4.571 26.988 ( -2.433 -4.375 -2.314) 5.515 ======================= Grid point 346 (72/90) ======================= q-point: (-0.50 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 3.367 ( -3.093 6.226 8.213) 10.760 3.367 ( 3.093 6.226 8.213) 10.760 3.577 ( -12.388 10.847 2.232) 16.616 3.577 ( 12.388 10.847 2.232) 16.616 4.260 ( -2.146 -8.075 1.690) 8.525 4.260 ( 2.146 -8.075 1.690) 8.525 6.756 ( -1.816 -14.791 6.278) 16.170 6.756 ( 1.816 -14.791 6.278) 16.170 7.773 ( -8.092 1.801 6.960) 10.824 7.773 ( 8.092 1.801 6.960) 10.824 8.126 ( -13.307 10.647 -8.822) 19.190 8.126 ( 13.307 10.647 -8.822) 19.190 8.827 ( -4.418 -0.815 -5.965) 7.468 8.827 ( 4.418 -0.815 -5.965) 7.468 9.338 ( -6.519 9.834 3.335) 12.261 9.338 ( 6.519 9.834 3.335) 12.261 9.993 ( -3.410 -8.424 12.379) 15.357 9.993 ( 3.410 -8.424 12.379) 15.357 10.283 ( -1.433 -8.008 -2.167) 8.419 10.283 ( 1.433 -8.008 -2.167) 8.419 10.428 ( -6.540 -4.140 25.489) 26.639 10.428 ( 6.540 -4.140 25.489) 26.639 10.683 ( -1.455 -7.783 -7.838) 11.142 10.683 ( 1.455 -7.783 -7.838) 11.142 11.397 ( -3.110 8.359 -7.233) 11.483 11.397 ( 3.110 8.359 -7.233) 11.483 11.499 ( -6.068 4.186 16.284) 17.874 11.499 ( 6.068 4.186 16.284) 17.874 11.901 ( -2.079 4.156 -2.243) 5.160 11.901 ( 2.079 4.156 -2.243) 5.160 12.352 ( -3.317 1.152 -6.566) 7.446 12.352 ( 3.317 1.152 -6.566) 7.446 12.590 ( -6.206 -3.564 16.628) 18.102 12.590 ( 6.206 -3.564 16.628) 18.102 13.028 ( -2.863 9.182 10.844) 14.495 13.028 ( 2.863 9.182 10.844) 14.495 13.484 ( -4.243 0.332 -7.610) 8.719 13.484 ( 4.243 0.332 -7.610) 8.719 13.775 ( -5.050 0.358 -3.458) 6.131 13.775 ( 5.050 0.358 -3.458) 6.131 14.201 ( -6.075 1.878 -9.566) 11.487 14.201 ( 6.075 1.878 -9.566) 11.487 14.514 ( -2.312 1.163 -8.026) 8.434 14.514 ( 2.312 1.163 -8.027) 8.434 14.788 ( -3.394 -3.000 -12.575) 13.366 14.788 ( 3.394 -3.000 -12.575) 13.366 15.163 ( -6.114 8.828 3.175) 11.198 15.163 ( 6.114 8.828 3.175) 11.198 16.007 ( -17.365 4.097 -3.450) 18.172 16.007 ( 17.365 4.097 -3.450) 18.172 16.228 ( -3.794 3.246 -3.076) 5.865 16.228 ( 3.794 3.246 -3.076) 5.865 16.760 ( -10.362 -9.586 0.994) 14.151 16.760 ( 10.362 -9.586 0.994) 14.151 17.219 ( -5.885 -20.042 -4.435) 21.353 17.219 ( 5.885 -20.042 -4.435) 21.353 18.595 ( -0.583 8.333 -0.310) 8.359 18.595 ( 0.583 8.333 -0.310) 8.359 22.750 ( -1.196 13.182 3.570) 13.709 22.750 ( 1.196 13.182 3.570) 13.709 23.367 ( -13.730 -0.477 6.202) 15.074 23.367 ( 13.730 -0.477 6.202) 15.074 23.987 ( -17.964 -5.737 -11.241) 21.954 23.987 ( 17.964 -5.737 -11.241) 21.954 26.958 ( -0.629 -4.476 -2.426) 5.130 26.958 ( 0.629 -4.476 -2.426) 5.130 ======================= Grid point 354 (73/90) ======================= q-point: ( 0.38 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 3.413 ( 5.572 5.572 7.187) 10.666 3.490 ( 9.883 9.883 3.539) 14.418 3.544 ( 3.668 3.668 14.288) 15.200 3.984 ( -6.572 -6.572 6.625) 11.413 4.012 ( 1.926 1.926 -7.944) 8.398 4.141 ( -1.502 -1.502 -1.441) 2.567 6.582 ( -5.949 -5.949 8.273) 11.800 6.600 ( -7.047 -7.047 7.682) 12.583 7.722 ( 3.907 3.907 9.077) 10.627 7.861 ( -4.103 -4.103 11.683) 13.044 8.118 ( 13.634 13.634 -9.936) 21.691 8.378 ( 0.390 0.390 -14.421) 14.431 8.772 ( 0.411 0.411 -5.022) 5.056 8.886 ( -3.714 -3.714 -12.577) 13.629 9.341 ( 10.483 10.483 8.023) 16.857 9.562 ( 2.919 2.919 -2.085) 4.625 9.834 ( -3.932 -3.932 12.273) 13.474 9.884 ( -4.321 -4.321 15.615) 16.768 10.190 ( -6.625 -6.625 18.293) 20.553 10.209 ( -8.202 -8.202 -4.318) 12.377 10.402 ( -3.826 -3.826 15.898) 16.793 10.415 ( 1.515 1.515 18.856) 18.978 10.566 ( -5.252 -5.252 -13.116) 15.073 10.643 ( -4.878 -4.878 -2.175) 7.234 11.424 ( 4.865 4.865 17.024) 18.362 11.493 ( 5.605 5.605 -0.085) 7.927 11.547 ( 3.376 3.376 -24.218) 24.684 11.619 ( -1.783 -1.783 19.415) 19.578 11.904 ( 3.141 3.141 -5.230) 6.861 11.964 ( 1.021 1.021 0.580) 1.556 12.351 ( 3.848 3.848 -11.269) 12.514 12.410 ( 1.497 1.497 -13.152) 13.322 12.456 ( 1.160 1.160 25.132) 25.185 12.583 ( -6.230 -6.230 28.231) 29.574 13.123 ( 8.476 8.476 4.796) 12.911 13.145 ( 4.932 4.932 16.830) 18.218 13.469 ( 0.199 0.199 -11.653) 11.656 13.541 ( 1.942 1.942 -6.907) 7.433 13.700 ( -1.642 -1.642 -10.692) 10.941 13.877 ( -4.025 -4.025 -7.452) 9.377 14.087 ( 2.674 2.674 2.923) 4.779 14.352 ( -6.819 -6.819 0.755) 9.674 14.441 ( 4.313 4.313 -11.126) 12.688 14.569 ( -0.906 -0.906 1.244) 1.786 14.680 ( 3.630 3.630 -23.319) 23.878 14.791 ( -1.614 -1.614 -17.132) 17.284 15.278 ( 5.301 5.301 2.983) 8.069 15.298 ( 5.201 5.201 7.580) 10.562 15.880 ( 11.722 11.722 -1.672) 16.662 16.148 ( 5.674 5.674 -10.257) 13.023 16.311 ( 2.303 2.303 -1.709) 3.678 16.314 ( 1.502 1.502 -0.635) 2.218 16.608 ( -8.207 -8.207 -0.021) 11.607 16.650 ( -7.843 -7.843 -2.351) 11.338 16.930 ( -13.203 -13.203 -1.440) 18.728 17.080 ( -16.012 -16.012 -7.536) 23.865 18.674 ( 4.289 4.289 -0.211) 6.069 18.680 ( 3.902 3.902 -0.488) 5.539 22.905 ( 6.449 6.449 8.356) 12.369 22.982 ( 4.852 4.852 12.555) 14.308 23.120 ( 9.388 9.388 -1.343) 13.345 23.606 ( -8.285 -8.285 10.840) 15.963 23.619 ( 8.728 8.728 -17.774) 21.640 24.120 ( -12.393 -12.393 -14.185) 22.548 26.905 ( -2.534 -2.534 -2.736) 4.508 26.916 ( -3.017 -3.017 -3.111) 5.280 ======================= Grid point 355 (74/90) ======================= q-point: (-0.50 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 3.508 ( -3.937 8.244 9.399) 13.107 3.508 ( 3.937 8.244 9.399) 13.107 3.739 ( -13.327 4.765 4.466) 14.841 3.739 ( 13.327 4.765 4.466) 14.841 4.109 ( -2.949 -6.704 -3.583) 8.154 4.109 ( 2.949 -6.704 -3.583) 8.154 6.528 ( -0.453 -8.732 9.339) 12.793 6.528 ( 0.453 -8.732 9.339) 12.793 7.790 ( -3.529 0.312 12.218) 12.722 7.790 ( 3.529 0.312 12.218) 12.722 8.321 ( -7.102 9.046 -13.739) 17.917 8.321 ( 7.102 9.046 -13.739) 17.917 8.809 ( -3.559 -1.255 -9.773) 10.477 8.809 ( 3.559 -1.255 -9.773) 10.477 9.510 ( -6.632 7.818 3.614) 10.870 9.510 ( 6.632 7.818 3.614) 10.870 9.838 ( -1.578 -6.746 12.669) 14.439 9.838 ( 1.578 -6.746 12.669) 14.439 10.109 ( -0.434 -9.214 9.571) 13.292 10.109 ( 0.434 -9.214 9.571) 13.292 10.400 ( -2.419 1.122 13.187) 13.454 10.400 ( 2.419 1.122 13.187) 13.454 10.558 ( -3.571 -5.832 -5.135) 8.552 10.558 ( 3.571 -5.832 -5.135) 8.552 11.514 ( -3.921 4.466 12.891) 14.195 11.514 ( 3.921 4.466 12.891) 14.195 11.586 ( -1.979 3.728 -7.718) 8.796 11.586 ( 1.979 3.728 -7.718) 8.796 11.956 ( -1.883 1.865 -4.629) 5.334 11.956 ( 1.883 1.865 -4.629) 5.334 12.401 ( -1.807 3.252 -7.926) 8.755 12.401 ( 1.807 3.252 -7.926) 8.755 12.502 ( -2.782 -4.581 25.692) 26.245 12.502 ( 2.782 -4.581 25.692) 26.245 13.196 ( -0.777 6.455 11.519) 13.227 13.196 ( 0.777 6.455 11.519) 13.227 13.521 ( -4.297 4.507 -11.542) 13.115 13.521 ( 4.297 4.507 -11.542) 13.115 13.755 ( -7.018 -2.895 -8.998) 11.773 13.755 ( 7.018 -2.895 -8.998) 11.773 14.195 ( -7.908 -2.383 2.421) 8.607 14.195 ( 7.908 -2.383 2.421) 8.607 14.524 ( -3.462 0.441 -3.594) 5.010 14.524 ( 3.462 0.441 -3.594) 5.010 14.752 ( -2.974 -0.527 -21.246) 21.460 14.752 ( 2.974 -0.527 -21.246) 21.460 15.336 ( -1.519 7.789 8.140) 11.368 15.336 ( 1.519 7.789 8.140) 11.368 16.137 ( -13.911 9.965 -4.824) 17.779 16.137 ( 13.911 9.965 -4.824) 17.779 16.297 ( -4.697 4.158 -3.199) 7.041 16.297 ( 4.697 4.158 -3.199) 7.041 16.570 ( -5.064 -10.012 -0.948) 11.260 16.570 ( 5.064 -10.012 -0.948) 11.260 16.843 ( -6.594 -18.997 -6.149) 21.028 16.843 ( 6.594 -18.997 -6.149) 21.028 18.716 ( -0.148 4.408 -0.360) 4.425 18.716 ( 0.148 4.408 -0.360) 4.425 22.982 ( -2.259 10.051 10.223) 14.513 22.982 ( 2.259 10.051 10.223) 14.513 23.370 ( -13.890 1.034 4.155) 14.535 23.370 ( 13.890 1.034 4.155) 14.535 23.867 ( -14.010 -6.444 -14.700) 21.305 23.867 ( 14.010 -6.444 -14.700) 21.305 26.883 ( -0.331 -3.100 -3.289) 4.532 26.883 ( 0.331 -3.100 -3.289) 4.532 ======================= Grid point 368 (75/90) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 3.624 ( -0.000 -0.000 12.890) 12.890 3.624 ( 0.000 0.000 12.890) 12.890 3.747 ( 0.000 0.000 4.437) 4.437 3.747 ( 0.000 0.000 4.437) 4.437 4.048 ( -0.000 -0.000 -7.888) 7.888 4.048 ( 0.000 0.000 -7.888) 7.888 6.443 ( 0.000 0.000 10.509) 10.509 6.443 ( 0.000 0.000 10.509) 10.509 7.792 ( 0.000 0.000 14.316) 14.316 7.792 ( 0.000 0.000 14.316) 14.316 8.419 ( -0.000 -0.000 -16.446) 16.446 8.419 ( 0.000 0.000 -16.446) 16.446 8.792 ( 0.000 0.000 -10.856) 10.856 8.792 ( 0.000 0.000 -10.856) 10.856 9.587 ( 0.000 0.000 0.193) 0.193 9.587 ( 0.000 0.000 0.193) 0.193 9.785 ( -0.000 -0.000 17.635) 17.635 9.785 ( 0.000 0.000 17.635) 17.635 9.997 ( 0.000 0.000 13.042) 13.042 9.997 ( 0.000 0.000 13.042) 13.042 10.452 ( 0.000 0.000 21.012) 21.012 10.452 ( 0.000 0.000 21.012) 21.012 10.465 ( -0.000 -0.000 -16.468) 16.468 10.465 ( 0.000 0.000 -16.468) 16.468 11.562 ( -0.000 -0.000 27.916) 27.916 11.562 ( 0.000 0.000 27.916) 27.916 11.617 ( 0.000 0.000 -24.784) 24.784 11.617 ( 0.000 0.000 -24.784) 24.784 11.976 ( 0.000 0.000 -6.487) 6.487 11.976 ( 0.000 0.000 -6.487) 6.487 12.437 ( -0.000 -0.000 -12.833) 12.833 12.437 ( 0.000 0.000 -12.833) 12.833 12.454 ( -0.000 -0.000 34.471) 34.471 12.454 ( 0.000 0.000 34.471) 34.471 13.249 ( 0.000 0.000 10.799) 10.799 13.249 ( 0.000 0.000 10.799) 10.799 13.633 ( 0.000 0.000 -7.022) 7.022 13.633 ( 0.000 0.000 -7.022) 7.022 13.670 ( -0.000 -0.000 -15.884) 15.884 13.670 ( 0.000 0.000 -15.884) 15.884 14.162 ( -0.000 -0.000 6.407) 6.407 14.162 ( 0.000 0.000 6.407) 6.407 14.528 ( -0.000 -0.000 0.307) 0.307 14.528 ( 0.000 0.000 0.307) 0.307 14.753 ( 0.000 0.000 -26.426) 26.426 14.753 ( 0.000 0.000 -26.426) 26.426 15.413 ( -0.000 -0.000 11.494) 11.494 15.413 ( 0.000 0.000 11.494) 11.494 16.327 ( -0.000 -0.000 0.150) 0.150 16.327 ( 0.000 0.000 0.150) 0.150 16.372 ( -0.000 -0.000 -2.967) 2.967 16.372 ( 0.000 0.000 -2.967) 2.967 16.401 ( -0.000 -0.000 -8.724) 8.724 16.401 ( 0.000 0.000 -8.724) 8.724 16.601 ( 0.000 0.000 -6.416) 6.416 16.601 ( 0.000 0.000 -6.416) 6.416 18.758 ( 0.000 0.000 -0.379) 0.379 18.758 ( 0.000 0.000 -0.379) 0.379 23.082 ( -0.000 -0.000 15.127) 15.127 23.082 ( 0.000 0.000 15.127) 15.127 23.391 ( 0.000 0.000 3.522) 3.522 23.391 ( 0.000 0.000 3.522) 3.522 23.791 ( 0.000 0.000 -18.474) 18.474 23.791 ( 0.000 0.000 -18.474) 18.474 26.852 ( 0.000 0.000 -3.673) 3.673 26.852 ( 0.000 0.000 -3.673) 3.673 ======================= Grid point 405 (76/90) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 3.220 ( -0.000 0.000 0.000) 0.000 3.220 ( -0.000 0.000 0.000) 0.000 3.622 ( 0.000 0.000 0.000) 0.000 3.622 ( 0.000 0.000 0.000) 0.000 3.875 ( 0.000 0.000 -7.441) 7.441 3.875 ( 0.000 0.000 7.441) 7.441 6.672 ( 0.000 0.000 0.000) 0.000 6.672 ( 0.000 -0.000 0.000) 0.000 6.744 ( -0.000 0.000 0.000) 0.000 6.744 ( -0.000 -0.000 0.000) 0.000 8.695 ( 0.000 0.000 -11.565) 11.565 8.695 ( -0.000 -0.000 11.565) 11.565 8.948 ( 0.000 0.000 -0.000) 0.000 8.948 ( 0.000 0.000 -0.000) 0.000 9.258 ( 0.000 0.000 0.000) 0.000 9.258 ( -0.000 0.000 0.000) 0.000 10.542 ( 0.000 0.000 -33.628) 33.628 10.542 ( 0.000 0.000 33.628) 33.628 10.704 ( 0.000 0.000 -23.856) 23.856 10.704 ( 0.000 -0.000 23.856) 23.856 10.780 ( 0.000 0.000 -28.605) 28.605 10.780 ( 0.000 0.000 28.605) 28.605 10.930 ( -0.000 -0.000 0.000) 0.000 10.930 ( 0.000 0.000 0.000) 0.000 11.217 ( 0.000 0.000 0.000) 0.000 11.217 ( 0.000 -0.000 0.000) 0.000 11.516 ( 0.000 0.000 -11.013) 11.013 11.516 ( -0.000 -0.000 11.013) 11.013 11.927 ( 0.000 0.000 -19.930) 19.930 11.927 ( 0.000 0.000 19.930) 19.930 12.039 ( 0.000 0.000 0.000) 0.000 12.039 ( 0.000 0.000 0.000) 0.000 12.053 ( 0.000 0.000 0.000) 0.000 12.053 ( -0.000 -0.000 0.000) 0.000 13.369 ( 0.000 0.000 -32.724) 32.724 13.369 ( -0.000 0.000 32.724) 32.724 13.850 ( 0.000 0.000 -21.742) 21.742 13.850 ( 0.000 0.000 21.742) 21.742 13.886 ( -0.000 0.000 0.000) 0.000 13.886 ( -0.000 0.000 0.000) 0.000 13.937 ( -0.000 -0.000 -38.670) 38.670 13.937 ( 0.000 0.000 38.670) 38.670 14.175 ( 0.000 0.000 0.000) 0.000 14.175 ( 0.000 0.000 0.000) 0.000 14.359 ( 0.000 0.000 -10.883) 10.883 14.359 ( 0.000 0.000 10.883) 10.883 14.498 ( -0.000 -0.000 0.000) 0.000 14.498 ( 0.000 0.000 0.000) 0.000 15.749 ( 0.000 0.000 -5.057) 5.057 15.749 ( 0.000 0.000 5.057) 5.057 15.999 ( -0.000 0.000 0.000) 0.000 15.999 ( -0.000 -0.000 0.000) 0.000 17.833 ( -0.000 0.000 0.000) 0.000 17.833 ( 0.000 0.000 0.000) 0.000 17.933 ( -0.000 -0.000 -14.497) 14.497 17.933 ( 0.000 0.000 14.497) 14.497 17.960 ( 0.000 0.000 0.000) 0.000 17.960 ( 0.000 0.000 0.000) 0.000 22.307 ( -0.000 -0.000 0.000) 0.000 22.307 ( -0.000 0.000 0.000) 0.000 22.584 ( 0.000 0.000 0.000) 0.000 22.584 ( 0.000 0.000 0.000) 0.000 24.722 ( -0.000 0.000 -21.854) 21.854 24.722 ( 0.000 0.000 21.854) 21.854 27.177 ( 0.000 0.000 -1.255) 1.255 27.177 ( -0.000 -0.000 1.255) 1.255 ======================= Grid point 407 (77/90) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 3.220 ( -0.028 0.000 0.000) 0.028 3.233 ( 1.145 0.000 0.000) 1.145 3.555 ( -4.976 0.000 0.000) 4.976 3.595 ( -2.829 0.000 -0.000) 2.829 3.951 ( 7.792 0.000 0.000) 7.792 4.012 ( 11.909 0.000 -0.000) 11.909 6.731 ( 6.394 0.000 0.000) 6.394 6.771 ( 9.870 0.000 0.000) 9.870 6.784 ( 4.273 0.000 0.000) 4.273 6.828 ( 8.849 0.000 0.000) 8.849 8.661 ( -3.854 0.000 0.000) 3.854 8.706 ( 0.484 0.000 -0.000) 0.484 8.878 ( -6.955 0.000 -0.000) 6.955 8.977 ( 2.954 0.000 -0.000) 2.954 9.178 ( -8.027 0.000 0.000) 8.027 9.218 ( -3.905 0.000 0.000) 3.905 10.543 ( 0.054 0.000 0.001) 0.054 10.547 ( 0.339 0.000 -0.001) 0.339 10.654 ( -4.509 0.000 0.000) 4.509 10.705 ( 0.039 0.000 -0.000) 0.039 10.708 ( -6.815 0.000 0.000) 6.815 10.746 ( -3.500 0.000 -0.000) 3.500 10.927 ( 0.154 0.000 0.000) 0.154 10.933 ( 0.213 0.000 0.000) 0.213 11.028 ( -11.360 0.000 0.000) 11.360 11.184 ( -3.366 0.000 0.000) 3.366 11.629 ( 10.775 0.000 -0.000) 10.775 11.716 ( 10.843 0.000 0.000) 10.843 11.854 ( -5.534 0.000 -0.000) 5.534 11.912 ( -1.471 0.000 0.000) 1.471 11.984 ( -5.097 0.000 0.000) 5.097 12.075 ( 3.237 0.000 -0.000) 3.237 12.119 ( 8.551 0.000 0.000) 8.551 12.138 ( 6.523 0.000 0.000) 6.523 13.349 ( -1.724 0.000 0.000) 1.724 13.398 ( 2.567 0.000 -0.000) 2.567 13.727 ( -8.835 0.000 0.000) 8.835 13.781 ( -10.432 0.000 0.000) 10.432 13.806 ( -5.517 0.000 0.000) 5.517 13.913 ( 4.632 0.000 -0.000) 4.632 13.947 ( -0.743 0.000 -0.000) 0.743 13.962 ( 4.044 0.000 0.000) 4.044 14.097 ( -7.829 0.000 0.000) 7.829 14.149 ( -1.621 0.000 0.000) 1.621 14.446 ( 7.950 0.000 -0.000) 7.950 14.505 ( 1.180 0.000 0.000) 1.180 14.505 ( 12.641 0.000 0.000) 12.641 14.689 ( 16.417 0.000 0.000) 16.417 15.696 ( -5.295 0.000 -0.000) 5.295 15.795 ( 4.677 0.000 0.000) 4.677 16.030 ( 2.915 0.000 0.000) 2.915 16.042 ( 4.617 0.000 0.000) 4.617 17.485 ( -22.570 0.000 0.000) 22.570 17.792 ( -9.716 0.000 0.000) 9.716 17.814 ( -1.881 0.000 0.000) 1.881 17.935 ( -2.575 0.000 0.000) 2.575 18.056 ( 5.021 0.000 0.000) 5.021 18.160 ( 10.412 0.000 0.000) 10.412 22.316 ( 0.907 0.000 0.000) 0.907 22.460 ( 15.409 0.000 0.000) 15.409 22.571 ( -1.290 0.000 0.000) 1.290 22.665 ( 8.483 0.000 0.000) 8.483 24.645 ( -8.022 0.000 0.000) 8.022 24.669 ( -5.677 0.000 -0.000) 5.677 27.147 ( -2.882 0.000 0.000) 2.882 27.164 ( -1.319 0.000 0.000) 1.319 ======================= Grid point 409 (78/90) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 3.223 ( 0.568 0.000 0.000) 0.568 3.259 ( 1.675 0.000 0.000) 1.675 3.467 ( -4.154 0.000 0.000) 4.154 3.519 ( -5.089 0.000 -0.000) 5.089 4.146 ( 11.916 0.000 0.000) 11.916 4.256 ( 12.606 0.000 0.000) 12.606 6.902 ( 8.040 0.000 0.000) 8.040 6.916 ( 13.215 0.000 0.000) 13.215 6.999 ( 12.785 0.000 0.000) 12.785 7.070 ( 16.579 0.000 -0.000) 16.579 8.487 ( -16.261 0.000 0.000) 16.261 8.647 ( -9.357 0.000 -0.000) 9.357 8.765 ( -2.468 0.000 0.000) 2.468 9.008 ( -7.550 0.000 0.000) 7.550 9.047 ( 4.022 0.000 -0.000) 4.022 9.132 ( -4.413 0.000 0.000) 4.413 10.516 ( -6.134 0.000 0.000) 6.134 10.544 ( 0.125 0.000 -0.000) 0.125 10.578 ( -2.670 0.000 0.000) 2.670 10.591 ( -2.430 0.000 -0.000) 2.430 10.650 ( -6.629 0.000 0.000) 6.629 10.698 ( -1.110 0.000 -0.000) 1.110 10.886 ( -3.607 0.000 -0.000) 3.607 10.935 ( 0.298 0.000 0.000) 0.298 10.935 ( 0.017 0.000 0.000) 0.017 11.103 ( -4.738 0.000 0.000) 4.738 11.753 ( -4.650 0.000 -0.000) 4.650 11.808 ( 0.586 0.000 -0.000) 0.586 11.844 ( 2.985 0.000 0.000) 2.985 11.870 ( -3.123 0.000 0.000) 3.123 11.917 ( 7.181 0.000 0.000) 7.181 12.144 ( 3.920 0.000 -0.000) 3.920 12.256 ( 5.319 0.000 0.000) 5.319 12.376 ( 15.794 0.000 0.000) 15.794 13.333 ( 0.677 0.000 0.000) 0.677 13.433 ( 0.243 0.000 -0.000) 0.243 13.539 ( -10.462 0.000 0.000) 10.462 13.611 ( -7.290 0.000 0.000) 7.290 13.725 ( -2.428 0.000 0.000) 2.428 13.894 ( -7.192 0.000 0.000) 7.192 13.909 ( -2.899 0.000 -0.000) 2.899 13.975 ( -4.554 0.000 0.000) 4.554 14.032 ( 3.497 0.000 0.000) 3.497 14.179 ( 3.408 0.000 0.000) 3.408 14.580 ( 8.046 0.000 -0.000) 8.046 14.606 ( 8.043 0.000 -0.000) 8.043 14.696 ( 7.316 0.000 0.000) 7.316 15.070 ( 22.641 0.000 0.000) 22.641 15.559 ( -9.135 0.000 0.000) 9.135 15.910 ( 7.001 0.000 0.000) 7.001 16.092 ( 3.286 0.000 0.000) 3.286 16.167 ( 7.804 0.000 0.000) 7.804 17.062 ( -20.874 0.000 0.000) 20.874 17.574 ( -13.368 0.000 0.000) 13.368 17.770 ( -2.586 0.000 0.000) 2.586 17.869 ( -4.196 0.000 0.000) 4.196 18.144 ( 4.367 0.000 0.000) 4.367 18.291 ( 3.778 0.000 0.000) 3.778 22.341 ( 1.762 0.000 0.000) 1.762 22.537 ( -2.305 0.000 0.000) 2.305 22.838 ( 23.048 0.000 0.000) 23.048 22.891 ( 15.010 0.000 0.000) 15.010 24.431 ( -14.256 0.000 0.000) 14.256 24.507 ( -11.428 0.000 -0.000) 11.428 27.087 ( -3.006 0.000 0.000) 3.006 27.130 ( -2.182 0.000 0.000) 2.182 ======================= Grid point 411 (79/90) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 3.248 ( 2.272 0.000 0.000) 2.272 3.296 ( 2.237 0.000 0.000) 2.237 3.398 ( -3.230 0.000 0.000) 3.230 3.413 ( -5.798 0.000 -0.000) 5.798 4.360 ( 9.769 0.000 0.000) 9.769 4.444 ( 6.464 0.000 0.000) 6.464 7.071 ( 9.150 0.000 0.000) 9.150 7.191 ( 6.171 0.000 0.000) 6.171 7.227 ( 19.550 0.000 0.000) 19.550 7.440 ( 22.135 0.000 0.000) 22.135 8.094 ( -23.685 0.000 0.000) 23.685 8.333 ( -21.930 0.000 0.000) 21.930 8.776 ( 2.716 0.000 0.000) 2.716 8.918 ( -3.489 0.000 0.000) 3.489 9.080 ( -0.667 0.000 0.000) 0.667 9.106 ( 1.571 0.000 0.000) 1.571 10.393 ( -4.459 0.000 0.000) 4.459 10.504 ( -7.602 0.000 0.000) 7.602 10.553 ( 0.094 0.000 0.000) 0.094 10.567 ( 1.332 0.000 0.000) 1.332 10.574 ( -0.604 0.000 -0.000) 0.604 10.663 ( -2.375 0.000 -0.000) 2.375 10.868 ( 0.894 0.000 -0.000) 0.894 10.927 ( -1.136 0.000 0.000) 1.136 10.939 ( 0.585 0.000 -0.000) 0.585 11.021 ( -3.766 0.000 0.000) 3.766 11.697 ( -0.987 0.000 -0.000) 0.987 11.795 ( -1.224 0.000 -0.000) 1.224 11.795 ( -4.535 0.000 0.000) 4.535 11.797 ( -2.221 0.000 0.000) 2.221 12.201 ( 16.731 0.000 0.000) 16.731 12.224 ( 4.464 0.000 -0.000) 4.464 12.320 ( 1.174 0.000 0.000) 1.174 12.594 ( 4.268 0.000 0.000) 4.268 13.361 ( 0.905 0.000 0.000) 0.905 13.392 ( -2.578 0.000 0.000) 2.578 13.401 ( -2.770 0.000 -0.000) 2.770 13.534 ( 0.364 0.000 0.000) 0.364 13.696 ( -2.344 0.000 0.000) 2.344 13.705 ( -11.793 0.000 0.000) 11.793 13.862 ( -1.036 0.000 -0.000) 1.036 13.916 ( -2.228 0.000 -0.000) 2.228 14.096 ( 3.386 0.000 0.000) 3.386 14.200 ( -1.126 0.000 0.000) 1.126 14.731 ( 5.078 0.000 -0.000) 5.078 14.787 ( 2.477 0.000 0.000) 2.477 14.807 ( 14.768 0.000 0.000) 14.768 15.354 ( -12.477 0.000 0.000) 12.477 15.507 ( 23.284 0.000 0.000) 23.284 16.039 ( 6.169 0.000 0.000) 6.169 16.139 ( 1.225 0.000 0.000) 1.225 16.227 ( -6.469 0.000 0.000) 6.469 16.810 ( -1.134 0.000 0.000) 1.134 17.293 ( -16.122 0.000 0.000) 16.122 17.730 ( -1.250 0.000 0.000) 1.250 17.788 ( -3.960 0.000 0.000) 3.960 18.221 ( 3.836 0.000 0.000) 3.836 18.318 ( -0.487 0.000 0.000) 0.487 22.381 ( 2.470 0.000 0.000) 2.470 22.487 ( -2.854 0.000 0.000) 2.854 23.208 ( 17.653 0.000 0.000) 17.653 23.270 ( 21.015 0.000 0.000) 21.015 24.136 ( -15.614 0.000 0.000) 15.614 24.247 ( -15.558 0.000 -0.000) 15.558 27.048 ( -0.904 0.000 0.000) 0.904 27.087 ( -2.249 0.000 0.000) 2.249 ======================= Grid point 413 (80/90) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 3.313 ( -4.528 0.000 0.000) 4.528 3.313 ( 4.528 0.000 0.000) 4.528 3.343 ( -2.703 0.000 0.000) 2.703 3.343 ( 2.703 0.000 0.000) 2.703 4.482 ( -2.525 0.000 0.000) 2.525 4.482 ( 2.525 0.000 0.000) 2.525 7.208 ( -4.135 0.000 0.000) 4.135 7.208 ( 4.135 0.000 0.000) 4.135 7.639 ( -23.658 0.000 0.000) 23.658 7.639 ( 23.658 0.000 0.000) 23.658 7.885 ( -24.481 0.000 0.000) 24.481 7.885 ( 24.481 0.000 0.000) 24.481 8.845 ( -4.153 0.000 -0.000) 4.153 8.845 ( 4.153 0.000 0.000) 4.153 9.099 ( -1.746 0.000 0.000) 1.746 9.099 ( 1.746 0.000 -0.000) 1.746 10.385 ( -3.667 0.000 0.000) 3.667 10.385 ( 3.667 0.000 0.000) 3.667 10.562 ( -0.655 0.000 0.000) 0.655 10.562 ( 0.655 0.000 0.000) 0.655 10.612 ( -2.931 0.000 0.000) 2.931 10.612 ( 2.931 0.000 -0.000) 2.931 10.897 ( -1.826 0.000 -0.000) 1.826 10.897 ( 1.826 0.000 0.000) 1.826 10.964 ( -2.190 0.000 0.000) 2.190 10.964 ( 2.190 0.000 0.000) 2.190 11.718 ( -3.041 0.000 -0.000) 3.041 11.718 ( 3.041 0.000 0.000) 3.041 11.779 ( -0.174 0.000 0.000) 0.174 11.779 ( 0.174 0.000 -0.000) 0.174 12.299 ( -3.043 0.000 0.000) 3.043 12.299 ( 3.043 0.000 0.000) 3.043 12.494 ( -12.834 0.000 0.000) 12.834 12.494 ( 12.834 0.000 0.000) 12.834 13.364 ( -0.692 0.000 0.000) 0.692 13.364 ( 0.692 0.000 -0.000) 0.692 13.483 ( -10.430 0.000 0.000) 10.430 13.483 ( 10.430 0.000 0.000) 10.430 13.611 ( -5.809 0.000 0.000) 5.809 13.611 ( 5.809 0.000 -0.000) 5.809 13.877 ( -1.885 0.000 -0.000) 1.885 13.877 ( 1.885 0.000 0.000) 1.885 14.157 ( -2.971 0.000 0.000) 2.971 14.157 ( 2.971 0.000 0.000) 2.971 14.795 ( -1.576 0.000 -0.000) 1.576 14.795 ( 1.576 0.000 0.000) 1.576 15.094 ( -14.928 0.000 0.000) 14.928 15.094 ( 14.928 0.000 0.000) 14.928 15.931 ( -20.976 0.000 0.000) 20.976 15.931 ( 20.976 0.000 0.000) 20.976 16.126 ( -2.717 0.000 0.000) 2.717 16.126 ( 2.717 0.000 0.000) 2.717 16.988 ( -15.283 0.000 0.000) 15.283 16.988 ( 15.283 0.000 0.000) 15.283 17.733 ( -1.645 0.000 0.000) 1.645 17.733 ( 1.645 0.000 0.000) 1.645 18.285 ( -2.761 0.000 0.000) 2.761 18.285 ( 2.761 0.000 0.000) 2.761 22.432 ( -2.884 0.000 0.000) 2.884 22.432 ( 2.884 0.000 0.000) 2.884 23.475 ( -5.207 0.000 0.000) 5.207 23.475 ( 5.207 0.000 0.000) 5.207 23.992 ( -6.296 0.000 0.000) 6.296 23.992 ( 6.296 0.000 -0.000) 6.296 27.052 ( -1.223 0.000 0.000) 1.223 27.052 ( 1.223 0.000 0.000) 1.223 ======================= Grid point 425 (81/90) ======================= q-point: ( 0.12 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 3.227 ( 0.289 0.289 -4.806) 4.824 3.227 ( 0.289 0.289 4.806) 4.824 3.588 ( 0.629 0.629 -8.857) 8.901 3.588 ( 0.629 0.629 8.857) 8.901 4.030 ( 5.313 5.313 -6.533) 9.956 4.030 ( 5.313 5.313 6.533) 9.956 6.746 ( 2.058 2.058 -3.198) 4.325 6.746 ( 2.058 2.058 3.198) 4.325 6.938 ( 11.043 11.043 -1.983) 15.742 6.938 ( 11.043 11.043 1.983) 15.742 8.660 ( -3.418 -3.418 -12.381) 13.291 8.660 ( -3.418 -3.418 12.381) 13.291 8.896 ( -2.412 -2.412 -4.039) 5.287 8.896 ( -2.412 -2.412 4.039) 5.287 9.172 ( -2.584 -2.584 -8.292) 9.061 9.172 ( -2.584 -2.584 8.292) 9.061 10.528 ( -2.257 -2.257 -27.131) 27.318 10.528 ( -2.257 -2.257 27.131) 27.318 10.670 ( -4.126 -4.126 -19.114) 19.985 10.670 ( -4.126 -4.126 19.114) 19.985 10.683 ( -0.665 -0.665 -19.490) 19.513 10.683 ( -0.665 -0.665 19.490) 19.513 10.916 ( -1.564 -1.564 -7.604) 7.919 10.916 ( -1.564 -1.564 7.604) 7.919 11.039 ( -4.119 -4.119 -3.611) 6.854 11.039 ( -4.119 -4.119 3.611) 6.854 11.769 ( 5.200 5.200 -11.818) 13.919 11.769 ( 5.200 5.200 11.818) 13.919 11.882 ( 1.051 1.051 -10.028) 10.138 11.882 ( 1.051 1.051 10.028) 10.138 12.009 ( -0.990 -0.990 -3.889) 4.133 12.009 ( -0.990 -0.990 3.889) 4.133 12.198 ( 6.955 6.955 -5.470) 11.255 12.198 ( 6.955 6.955 5.470) 11.255 13.376 ( 0.229 0.229 -30.568) 30.570 13.376 ( 0.229 0.229 30.568) 30.570 13.679 ( -7.199 -7.199 -13.111) 16.600 13.679 ( -7.199 -7.199 13.111) 16.600 13.844 ( -2.410 -2.410 -18.148) 18.465 13.844 ( -2.410 -2.410 18.148) 18.465 13.907 ( -0.691 -0.691 -6.472) 6.545 13.907 ( -0.691 -0.691 6.472) 6.545 14.193 ( 3.252 3.252 -2.884) 5.428 14.193 ( 3.252 3.252 2.884) 5.428 14.518 ( 5.525 5.525 -7.231) 10.646 14.518 ( 5.525 5.525 7.231) 10.646 14.684 ( 7.636 7.636 -1.209) 10.867 14.684 ( 7.636 7.636 1.209) 10.867 15.743 ( -0.128 -0.128 -6.821) 6.824 15.743 ( -0.128 -0.128 6.821) 6.824 16.069 ( 3.346 3.346 -0.288) 4.741 16.069 ( 3.346 3.346 0.288) 4.741 17.463 ( -12.081 -12.081 -2.998) 17.346 17.463 ( -12.081 -12.081 2.998) 17.346 17.841 ( -5.745 -5.745 -3.942) 9.031 17.841 ( -5.745 -5.745 3.942) 9.031 18.213 ( 7.219 7.219 -3.851) 10.912 18.213 ( 7.219 7.219 3.851) 10.912 22.459 ( 7.123 7.123 -1.874) 10.246 22.459 ( 7.123 7.123 1.874) 10.246 22.659 ( 4.298 4.298 -1.441) 6.247 22.659 ( 4.298 4.298 1.441) 6.247 24.596 ( -6.468 -6.468 -20.320) 22.284 24.596 ( -6.468 -6.468 20.320) 22.284 27.132 ( -2.282 -2.282 -1.086) 3.405 27.132 ( -2.282 -2.282 1.086) 3.405 ======================= Grid point 427 (82/90) ======================= q-point: ( 0.25 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 3.237 ( 1.547 1.546 0.000) 2.187 3.253 ( 1.996 0.122 -0.000) 1.999 3.544 ( -3.444 7.320 0.000) 8.090 3.593 ( -2.507 6.392 -0.000) 6.866 4.139 ( 8.822 -0.330 0.000) 8.828 4.220 ( 10.814 -3.430 0.000) 11.345 6.797 ( 5.373 -2.605 0.000) 5.972 6.878 ( 9.185 -6.384 0.000) 11.186 7.144 ( 12.705 15.058 0.000) 19.702 7.234 ( 17.273 10.944 0.000) 20.448 8.453 ( -16.191 -3.729 0.000) 16.615 8.559 ( -10.380 -8.853 -0.000) 13.642 8.795 ( -3.065 2.811 0.000) 4.159 8.934 ( 0.094 -4.876 0.000) 4.877 9.115 ( 0.429 4.492 -0.000) 4.512 9.148 ( -1.032 1.741 0.000) 2.024 10.450 ( -5.089 -7.531 0.000) 9.089 10.457 ( -5.086 -5.431 -0.000) 7.440 10.510 ( -8.939 -4.617 0.000) 10.062 10.586 ( -5.856 -6.142 -0.000) 8.486 10.682 ( 1.825 5.782 0.000) 6.063 10.743 ( 3.402 1.955 -0.000) 3.923 10.848 ( -3.552 -3.627 -0.000) 5.077 10.883 ( -2.036 -5.597 0.000) 5.956 10.958 ( -1.135 2.944 -0.000) 3.155 11.046 ( -0.202 -3.175 0.000) 3.182 11.758 ( -3.084 0.824 -0.000) 3.192 11.811 ( 0.012 -1.179 0.000) 1.179 11.891 ( -2.154 3.344 -0.000) 3.978 11.905 ( -4.986 3.791 0.000) 6.264 11.984 ( 9.770 5.511 0.000) 11.217 12.106 ( 5.220 -3.297 0.000) 6.174 12.325 ( 6.647 8.387 0.000) 10.701 12.439 ( 15.738 5.878 0.000) 16.800 13.319 ( -4.464 0.158 0.000) 4.467 13.419 ( 0.647 -1.187 -0.000) 1.351 13.521 ( -4.703 -2.772 0.000) 5.459 13.607 ( -2.139 -10.084 0.000) 10.308 13.689 ( -8.231 5.050 0.000) 9.657 13.792 ( -4.435 -7.222 -0.000) 8.475 13.876 ( -1.892 -0.850 0.000) 2.074 13.961 ( -0.373 4.148 -0.000) 4.165 14.211 ( 1.661 10.424 -0.000) 10.556 14.280 ( 4.504 5.201 0.000) 6.880 14.609 ( 6.436 1.504 -0.000) 6.609 14.670 ( 6.470 -2.369 0.000) 6.890 14.700 ( 3.130 12.184 0.000) 12.579 15.044 ( 20.937 -2.220 0.000) 21.054 15.613 ( -8.185 5.648 0.000) 9.944 15.875 ( 8.515 -3.844 0.000) 9.343 16.125 ( 2.997 3.358 0.000) 4.501 16.175 ( 6.399 1.020 0.000) 6.480 17.046 ( -20.975 -1.624 0.000) 21.038 17.393 ( -5.778 -17.910 0.000) 18.819 17.656 ( -9.887 -7.522 -0.000) 12.423 17.751 ( -5.979 -10.961 0.000) 12.486 18.295 ( 4.199 10.782 0.000) 11.571 18.358 ( 5.179 5.761 -0.000) 7.747 22.470 ( 0.978 12.845 0.000) 12.882 22.610 ( -1.046 7.174 0.000) 7.250 22.845 ( 21.513 1.196 0.000) 21.547 22.889 ( 15.091 0.010 0.000) 15.091 24.391 ( -13.684 -4.302 0.000) 14.345 24.444 ( -10.730 -6.576 -0.000) 12.585 27.066 ( -3.401 -2.045 0.000) 3.969 27.095 ( -2.368 -3.486 0.000) 4.214 ======================= Grid point 429 (83/90) ======================= q-point: ( 0.38 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 3.290 ( 4.091 3.856 0.000) 5.622 3.304 ( 3.364 1.672 -0.000) 3.756 3.466 ( -4.530 7.259 0.000) 8.556 3.507 ( -5.953 8.644 -0.000) 10.495 4.318 ( 8.746 -4.349 0.000) 9.768 4.389 ( 6.121 -5.619 0.000) 8.309 6.936 ( 8.550 -8.591 0.000) 12.120 7.042 ( 6.491 -11.529 0.000) 13.231 7.412 ( 15.569 13.550 0.000) 20.640 7.566 ( 17.831 9.513 0.000) 20.210 8.099 ( -20.079 0.453 0.000) 20.084 8.280 ( -18.156 -4.903 0.000) 18.807 8.770 ( 0.280 -0.400 0.000) 0.488 8.883 ( -4.197 -3.174 0.000) 5.263 9.156 ( 2.009 7.256 0.000) 7.529 9.178 ( 3.701 6.727 0.000) 7.678 10.343 ( -5.208 -4.297 0.000) 6.752 10.367 ( -3.220 -11.563 0.000) 12.003 10.394 ( -3.581 -9.807 -0.000) 10.440 10.453 ( -7.549 -5.299 -0.000) 9.223 10.733 ( 3.036 5.290 0.000) 6.099 10.776 ( 0.059 -4.595 -0.000) 4.595 10.834 ( 1.171 5.544 -0.000) 5.666 10.847 ( -1.458 -4.973 0.000) 5.183 10.952 ( 0.497 1.528 -0.000) 1.607 11.026 ( -1.892 0.110 -0.000) 1.895 11.716 ( -0.871 2.058 -0.000) 2.235 11.785 ( -2.783 -0.540 0.000) 2.835 11.838 ( -2.013 4.108 -0.000) 4.575 11.845 ( -1.857 4.636 0.000) 4.995 12.168 ( 8.030 -2.139 -0.000) 8.310 12.192 ( 3.900 -2.811 0.000) 4.808 12.452 ( 7.643 11.714 0.000) 13.987 12.679 ( 6.478 7.948 0.000) 10.253 13.220 ( -3.097 -5.457 0.000) 6.275 13.373 ( -4.635 -2.083 -0.000) 5.082 13.516 ( 0.940 -1.859 0.000) 2.083 13.581 ( -0.407 8.404 0.000) 8.414 13.593 ( -1.965 -5.557 0.000) 5.894 13.721 ( -1.636 -9.467 -0.000) 9.607 13.837 ( -2.242 -1.221 -0.000) 2.553 13.874 ( -7.004 10.800 0.000) 12.873 14.255 ( 2.814 10.886 0.000) 11.244 14.335 ( 0.380 8.114 0.000) 8.123 14.716 ( 4.299 -1.662 -0.000) 4.609 14.756 ( 2.555 -3.286 0.000) 4.163 14.845 ( 12.028 5.581 0.000) 13.260 15.311 ( -3.337 -2.902 0.000) 4.422 15.567 ( 13.662 5.360 0.000) 14.676 16.037 ( 7.811 -0.605 0.000) 7.834 16.167 ( 0.957 2.854 0.000) 3.010 16.221 ( -6.113 -0.247 0.000) 6.118 16.777 ( -2.889 -3.341 0.000) 4.417 17.210 ( -13.632 -9.013 0.000) 16.342 17.530 ( -2.698 -16.336 0.000) 16.558 17.633 ( -6.145 -14.198 0.000) 15.471 18.366 ( 3.183 10.982 0.000) 11.434 18.416 ( 1.166 8.107 0.000) 8.191 22.495 ( 1.670 11.521 0.000) 11.641 22.574 ( -2.228 8.903 0.000) 9.178 23.205 ( 17.485 -0.219 0.000) 17.486 23.262 ( 20.515 -0.819 0.000) 20.531 24.106 ( -15.263 -3.263 0.000) 15.608 24.199 ( -14.782 -5.102 -0.000) 15.638 27.020 ( -1.342 -2.866 0.000) 3.165 27.049 ( -2.258 -3.744 0.000) 4.372 ======================= Grid point 431 (84/90) ======================= q-point: (-0.50 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 3.371 ( -1.175 3.181 0.000) 3.391 3.371 ( 1.175 3.181 0.000) 3.391 3.397 ( -2.785 8.242 0.000) 8.700 3.397 ( 2.785 8.242 0.000) 8.700 4.428 ( -2.176 -5.624 0.000) 6.030 4.428 ( 2.176 -5.624 0.000) 6.030 7.069 ( -3.895 -12.119 0.000) 12.730 7.069 ( 3.895 -12.119 0.000) 12.730 7.730 ( -18.098 7.661 0.000) 19.653 7.730 ( 18.098 7.661 0.000) 19.653 7.918 ( -19.166 3.201 0.000) 19.432 7.918 ( 19.166 3.201 0.000) 19.432 8.806 ( -3.447 -2.970 0.000) 4.550 8.806 ( 3.447 -2.970 0.000) 4.550 9.200 ( -1.479 8.967 0.000) 9.088 9.200 ( 1.479 8.967 -0.000) 9.088 10.319 ( -2.343 -7.380 -0.000) 7.743 10.319 ( 2.343 -7.380 0.000) 7.743 10.361 ( -0.600 -9.841 -0.000) 9.860 10.361 ( 0.600 -9.841 0.000) 9.860 10.772 ( -0.733 -3.098 0.000) 3.184 10.772 ( 0.733 -3.098 0.000) 3.184 10.838 ( -0.413 4.777 -0.000) 4.795 10.838 ( 0.413 4.777 0.000) 4.795 10.982 ( -2.416 0.658 -0.000) 2.504 10.982 ( 2.416 0.658 -0.000) 2.504 11.731 ( -2.229 1.518 -0.000) 2.696 11.731 ( 2.229 1.518 0.000) 2.696 11.824 ( -0.365 4.465 0.000) 4.480 11.824 ( 0.365 4.465 0.000) 4.480 12.239 ( -0.283 -4.174 0.000) 4.183 12.239 ( 0.283 -4.174 0.000) 4.183 12.626 ( -9.315 11.251 0.000) 14.606 12.626 ( 9.315 11.251 0.000) 14.606 13.269 ( -6.022 -5.489 0.000) 8.148 13.269 ( 6.022 -5.489 -0.000) 8.148 13.525 ( -2.699 0.015 0.000) 2.699 13.525 ( 2.699 0.015 0.000) 2.699 13.676 ( -6.224 0.340 -0.000) 6.233 13.676 ( 6.224 0.340 -0.000) 6.233 13.797 ( -0.996 2.354 -0.000) 2.556 13.797 ( 0.996 2.353 -0.000) 2.556 14.308 ( -2.592 10.353 0.000) 10.672 14.308 ( 2.592 10.353 0.000) 10.672 14.768 ( -1.155 -2.837 -0.000) 3.063 14.768 ( 1.155 -2.837 0.000) 3.063 15.102 ( -13.907 1.787 0.000) 14.021 15.102 ( 13.907 1.787 0.000) 14.021 15.936 ( -20.163 0.690 0.000) 20.175 15.936 ( 20.163 0.690 0.000) 20.175 16.146 ( -3.427 1.980 0.000) 3.958 16.146 ( 3.427 1.980 0.000) 3.958 16.929 ( -14.376 -6.039 0.000) 15.593 16.929 ( 14.376 -6.039 0.000) 15.593 17.540 ( -3.211 -17.051 0.000) 17.350 17.540 ( 3.211 -17.051 0.000) 17.350 18.411 ( -1.468 10.065 0.000) 10.172 18.411 ( 1.468 10.065 0.000) 10.172 22.532 ( -2.159 10.157 0.000) 10.384 22.532 ( 2.159 10.157 0.000) 10.384 23.467 ( -4.786 -0.804 0.000) 4.853 23.467 ( 4.786 -0.804 0.000) 4.853 23.957 ( -5.569 -3.678 0.000) 6.674 23.957 ( 5.569 -3.678 -0.000) 6.674 27.017 ( -0.967 -3.542 0.000) 3.672 27.017 ( 0.967 -3.542 0.000) 3.672 ======================= Grid point 445 (85/90) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 3.285 ( 3.544 3.544 -3.602) 6.172 3.285 ( 3.544 3.544 3.602) 6.172 3.687 ( 3.705 3.705 -13.219) 14.220 3.687 ( 3.705 3.705 13.219) 14.220 4.161 ( 1.022 1.022 -1.513) 2.093 4.161 ( 1.022 1.022 1.513) 2.093 6.794 ( -0.337 -0.337 -2.134) 2.186 6.794 ( -0.337 -0.337 2.134) 2.186 7.451 ( 14.338 14.338 -1.720) 20.350 7.451 ( 14.338 14.338 1.720) 20.350 8.346 ( -10.127 -10.127 -9.307) 17.080 8.346 ( -10.127 -10.127 9.307) 17.080 8.839 ( -2.180 -2.180 -0.699) 3.161 8.839 ( -2.180 -2.180 0.699) 3.161 9.210 ( 5.456 5.456 -11.756) 14.062 9.210 ( 5.456 5.456 11.756) 14.062 10.306 ( -8.155 -8.155 -14.378) 18.431 10.306 ( -8.155 -8.155 14.378) 18.431 10.436 ( -6.550 -6.550 -17.165) 19.505 10.436 ( -6.550 -6.550 17.165) 19.505 10.696 ( -5.489 -5.489 -6.517) 10.135 10.696 ( -5.489 -5.489 6.517) 10.135 10.846 ( 3.600 3.600 -24.606) 25.127 10.846 ( 3.600 3.600 24.606) 25.127 11.015 ( 0.794 0.794 -6.817) 6.909 11.015 ( 0.794 0.794 6.817) 6.909 11.779 ( -0.199 -0.199 -9.765) 9.769 11.779 ( -0.199 -0.199 9.765) 9.769 11.954 ( 1.006 1.006 -8.779) 8.894 11.954 ( 1.006 1.006 8.779) 8.894 12.066 ( 2.355 2.355 -12.096) 12.547 12.066 ( 2.355 2.355 12.096) 12.547 12.568 ( 11.429 11.429 -11.029) 19.568 12.568 ( 11.429 11.429 11.029) 19.568 13.364 ( -2.134 -2.134 -15.534) 15.824 13.364 ( -2.134 -2.134 15.534) 15.824 13.447 ( -3.339 -3.339 -27.708) 28.108 13.447 ( -3.339 -3.339 27.708) 28.108 13.677 ( -4.506 -4.506 -16.713) 17.887 13.677 ( -4.506 -4.506 16.713) 17.887 14.001 ( 4.514 4.514 -2.398) 6.819 14.001 ( 4.514 4.514 2.398) 6.819 14.350 ( 3.423 3.423 -4.464) 6.585 14.350 ( 3.423 3.423 4.464) 6.585 14.641 ( 1.054 1.054 -6.166) 6.344 14.641 ( 1.054 1.054 6.166) 6.344 15.012 ( 9.161 9.161 -0.191) 12.957 15.012 ( 9.161 9.161 0.191) 12.957 15.771 ( 2.188 2.188 -9.580) 10.068 15.771 ( 2.188 2.188 9.580) 10.068 16.206 ( 3.369 3.369 -0.419) 4.783 16.206 ( 3.369 3.369 0.419) 4.783 17.007 ( -11.640 -11.640 -0.240) 16.464 17.007 ( -11.640 -11.640 0.240) 16.464 17.498 ( -12.246 -12.246 -5.080) 18.048 17.498 ( -12.246 -12.246 5.080) 18.048 18.469 ( 6.357 6.357 -1.030) 9.050 18.469 ( 6.357 6.357 1.030) 9.050 22.742 ( 7.434 7.434 -3.115) 10.966 22.742 ( 7.434 7.434 3.115) 10.966 22.934 ( 9.610 9.610 -9.951) 16.845 22.934 ( 9.610 9.610 9.951) 16.845 24.266 ( -10.470 -10.470 -16.674) 22.299 24.266 ( -10.470 -10.470 16.674) 22.299 27.016 ( -3.670 -3.670 -0.776) 5.248 27.016 ( -3.670 -3.670 0.776) 5.248 ======================= Grid point 447 (86/90) ======================= q-point: ( 0.38 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 3.372 ( 5.445 5.571 0.000) 7.790 3.381 ( 6.240 5.731 0.000) 8.472 3.650 ( -4.626 10.933 0.000) 11.871 3.692 ( -4.491 9.769 -0.000) 10.751 4.206 ( 4.952 -7.085 0.000) 8.644 4.247 ( 4.247 -8.934 0.000) 9.892 6.789 ( 1.450 -6.891 0.000) 7.042 6.829 ( 1.300 -10.178 0.000) 10.261 7.676 ( 11.729 13.887 -0.000) 18.177 7.747 ( 14.130 9.441 0.000) 16.994 8.108 ( -11.944 0.380 0.000) 11.950 8.182 ( -9.639 -4.812 0.000) 10.774 8.759 ( -2.777 -1.001 0.000) 2.952 8.808 ( -3.317 -4.591 0.000) 5.664 9.320 ( 5.538 9.468 0.000) 10.969 9.330 ( 6.125 8.819 -0.000) 10.737 10.168 ( -4.689 -9.102 0.000) 10.239 10.194 ( -4.256 -10.344 -0.000) 11.186 10.272 ( -7.173 -3.215 0.000) 7.861 10.335 ( -6.793 -6.620 -0.000) 9.485 10.600 ( -3.103 -10.742 0.000) 11.182 10.615 ( -3.180 -11.005 -0.000) 11.456 10.910 ( 3.495 4.665 0.000) 5.829 10.933 ( 3.816 2.193 -0.000) 4.402 11.005 ( -0.605 4.167 0.000) 4.211 11.031 ( -0.559 1.021 -0.000) 1.164 11.769 ( 0.337 3.296 -0.000) 3.313 11.789 ( 0.002 1.284 0.000) 1.284 11.936 ( -1.247 5.769 0.000) 5.903 11.947 ( -1.085 5.502 -0.000) 5.608 12.129 ( 3.726 -2.007 -0.000) 4.232 12.136 ( 3.189 -2.839 0.000) 4.270 12.708 ( 7.815 14.454 -0.000) 16.431 12.843 ( 11.387 8.136 0.000) 13.995 13.179 ( -8.005 1.114 0.000) 8.082 13.338 ( -6.571 -2.641 -0.000) 7.082 13.463 ( 4.892 -6.271 0.000) 7.954 13.469 ( 1.916 -2.852 -0.000) 3.436 13.599 ( -3.740 -3.971 0.002) 5.455 13.604 ( -2.210 -2.961 -0.002) 3.695 13.982 ( -0.827 12.764 -0.000) 12.791 14.078 ( -1.861 9.809 -0.000) 9.984 14.397 ( 2.848 -0.626 -0.000) 2.916 14.407 ( 2.422 3.764 0.000) 4.476 14.670 ( 1.843 -2.958 0.000) 3.486 14.675 ( 1.584 -4.505 -0.000) 4.775 15.059 ( 5.668 15.876 0.000) 16.857 15.292 ( 5.808 1.359 0.000) 5.965 15.707 ( 4.717 9.946 0.000) 11.008 15.999 ( 11.807 -3.446 0.000) 12.300 16.237 ( 0.420 4.229 0.000) 4.249 16.240 ( -4.536 2.580 -0.000) 5.219 16.696 ( -7.665 -4.870 0.000) 9.081 16.952 ( -4.831 -17.659 0.000) 18.308 17.225 ( -11.408 -15.073 0.000) 18.903 17.315 ( -9.510 -18.629 0.000) 20.916 18.554 ( 3.372 8.367 0.000) 9.021 18.566 ( 3.140 7.177 -0.000) 7.834 22.777 ( 0.753 16.912 0.000) 16.929 22.800 ( -0.223 14.169 0.000) 14.171 23.206 ( 16.241 0.669 0.000) 16.255 23.246 ( 18.483 -0.596 0.000) 18.493 24.010 ( -14.168 -6.923 0.000) 15.769 24.058 ( -12.736 -9.653 -0.000) 15.981 26.950 ( -2.366 -4.116 0.000) 4.748 26.962 ( -2.472 -5.026 0.000) 5.601 ======================= Grid point 449 (87/90) ======================= q-point: (-0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 3.462 ( -1.402 6.500 -0.000) 6.649 3.462 ( 1.402 6.500 0.000) 6.649 3.593 ( -2.566 11.413 0.000) 11.698 3.593 ( 2.566 11.413 0.000) 11.698 4.278 ( -1.429 -10.003 0.000) 10.105 4.278 ( 1.429 -10.003 0.000) 10.105 6.826 ( -1.621 -12.447 0.000) 12.552 6.826 ( 1.621 -12.447 0.000) 12.552 7.886 ( -9.743 8.389 -0.000) 12.857 7.886 ( 9.743 8.389 0.000) 12.857 7.992 ( -9.839 4.235 0.000) 10.711 7.992 ( 9.839 4.235 -0.000) 10.711 8.750 ( -1.849 -3.019 0.000) 3.540 8.750 ( 1.849 -3.019 0.000) 3.540 9.388 ( -0.670 10.137 0.000) 10.160 9.388 ( 0.670 10.137 -0.000) 10.160 10.142 ( -1.559 -8.965 0.000) 9.100 10.142 ( 1.559 -8.965 0.000) 9.100 10.224 ( -3.081 -5.703 -0.000) 6.482 10.224 ( 3.081 -5.703 -0.000) 6.482 10.579 ( -0.572 -12.451 0.000) 12.465 10.579 ( 0.572 -12.451 0.000) 12.465 10.963 ( -1.540 0.573 0.000) 1.643 10.963 ( 1.540 0.573 0.000) 1.643 11.005 ( -1.553 5.383 -0.000) 5.602 11.005 ( 1.553 5.383 -0.000) 5.602 11.781 ( -0.693 3.778 -0.000) 3.841 11.781 ( 0.693 3.778 0.000) 3.841 11.929 ( -0.487 6.134 0.000) 6.153 11.929 ( 0.487 6.134 0.000) 6.153 12.168 ( -0.092 -3.333 0.000) 3.334 12.168 ( 0.092 -3.333 0.000) 3.334 12.862 ( -7.514 12.760 0.000) 14.808 12.862 ( 7.514 12.760 0.000) 14.808 13.195 ( -7.899 -2.452 0.000) 8.270 13.195 ( 7.899 -2.452 -0.000) 8.270 13.497 ( -1.117 -2.646 0.000) 2.872 13.497 ( 1.117 -2.646 0.000) 2.872 13.579 ( -1.261 -4.967 -0.000) 5.124 13.579 ( 1.261 -4.967 -0.000) 5.124 14.005 ( -3.573 13.390 -0.000) 13.858 14.005 ( 3.573 13.390 0.000) 13.858 14.431 ( -0.133 1.593 0.000) 1.599 14.431 ( 0.133 1.593 0.000) 1.599 14.691 ( -0.133 -5.089 -0.000) 5.091 14.691 ( 0.133 -5.089 0.000) 5.091 15.211 ( -9.136 10.321 0.000) 13.783 15.211 ( 9.136 10.321 0.000) 13.783 15.967 ( -17.283 2.992 0.000) 17.540 15.967 ( 17.283 2.992 0.000) 17.540 16.195 ( -5.137 3.130 0.000) 6.016 16.195 ( 5.137 3.130 0.000) 6.016 16.772 ( -11.379 -10.221 0.000) 15.296 16.772 ( 11.379 -10.221 0.000) 15.296 17.171 ( -4.469 -20.964 0.000) 21.435 17.171 ( 4.469 -20.964 0.000) 21.435 18.591 ( -0.411 8.303 0.000) 8.313 18.591 ( 0.411 8.303 0.000) 8.313 22.789 ( -0.670 16.260 0.000) 16.274 22.789 ( 0.670 16.260 0.000) 16.274 23.447 ( -3.613 -1.162 0.000) 3.796 23.447 ( 3.614 -1.162 0.000) 3.796 23.853 ( -3.706 -7.462 0.000) 8.332 23.853 ( 3.706 -7.462 -0.000) 8.332 26.932 ( -0.436 -4.976 0.000) 4.995 26.932 ( 0.436 -4.976 0.000) 4.995 ======================= Grid point 465 (88/90) ======================= q-point: ( 0.38 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 3.506 ( 7.775 7.775 -1.942) 11.166 3.506 ( 7.775 7.775 1.942) 11.166 3.813 ( 2.560 2.560 -11.499) 12.056 3.813 ( 2.560 2.560 11.499) 12.056 4.090 ( -4.725 -4.725 -3.714) 7.645 4.090 ( -4.725 -4.725 3.714) 7.645 6.680 ( -4.875 -4.875 -0.467) 6.910 6.680 ( -4.875 -4.875 0.467) 6.910 7.912 ( 9.175 9.175 -9.723) 16.214 7.912 ( 9.175 9.175 9.723) 16.214 8.107 ( -2.091 -2.091 -12.378) 12.727 8.107 ( -2.091 -2.091 12.378) 12.727 8.725 ( -2.992 -2.992 -2.267) 4.800 8.725 ( -2.992 -2.992 2.267) 4.800 9.483 ( 6.611 6.611 -5.618) 10.907 9.483 ( 6.611 6.611 5.618) 10.907 10.045 ( -3.760 -3.760 -9.993) 11.319 10.045 ( -3.760 -3.760 9.993) 11.319 10.217 ( -4.523 -4.523 -15.724) 16.975 10.217 ( -4.523 -4.523 15.724) 16.975 10.416 ( -8.199 -8.199 -7.250) 13.675 10.416 ( -8.199 -8.199 7.250) 13.675 10.944 ( -0.174 -0.174 -17.264) 17.266 10.944 ( -0.174 -0.174 17.264) 17.266 11.074 ( 2.607 2.607 -12.423) 12.958 11.074 ( 2.607 2.607 12.423) 12.958 11.830 ( 2.697 2.697 -4.457) 5.867 11.830 ( 2.697 2.697 4.457) 5.867 12.026 ( 2.384 2.384 -18.753) 19.054 12.026 ( 2.384 2.384 18.753) 19.054 12.101 ( -0.265 -0.265 -16.642) 16.646 12.101 ( -0.265 -0.265 16.642) 16.646 12.966 ( 8.838 8.838 -20.423) 23.944 12.966 ( 8.838 8.838 20.423) 23.944 13.226 ( -3.191 -3.191 -27.648) 28.014 13.226 ( -3.191 -3.191 27.648) 28.014 13.427 ( -0.066 -0.066 -0.790) 0.796 13.427 ( -0.066 -0.066 0.790) 0.796 13.547 ( -2.067 -2.067 -21.352) 21.552 13.547 ( -2.067 -2.067 21.352) 21.552 14.201 ( 5.572 5.572 -8.833) 11.838 14.201 ( 5.572 5.572 8.833) 11.838 14.391 ( -1.069 -1.069 -4.677) 4.915 14.391 ( -1.069 -1.069 4.677) 4.915 14.615 ( -2.210 -2.210 -3.730) 4.867 14.615 ( -2.210 -2.210 3.730) 4.867 15.355 ( 8.654 8.654 -1.789) 12.368 15.355 ( 8.654 8.654 1.789) 12.368 15.945 ( 7.175 7.175 -7.712) 12.745 15.945 ( 7.175 7.175 7.712) 12.745 16.302 ( 1.645 1.645 -0.283) 2.343 16.302 ( 1.645 1.645 0.283) 2.343 16.615 ( -8.837 -8.837 -0.365) 12.503 16.615 ( -8.837 -8.837 0.365) 12.503 16.961 ( -15.236 -15.236 -3.863) 21.890 16.961 ( -15.236 -15.236 3.863) 21.890 18.673 ( 4.089 4.089 -0.143) 5.784 18.673 ( 4.089 4.089 0.143) 5.784 23.050 ( 9.067 9.067 -5.459) 13.937 23.050 ( 9.067 9.067 5.459) 13.937 23.274 ( 7.232 7.232 -15.715) 18.750 23.274 ( 7.232 7.232 15.715) 18.750 23.845 ( -11.469 -11.469 -12.517) 20.488 23.845 ( -11.469 -11.469 12.517) 20.488 26.879 ( -3.155 -3.155 -0.314) 4.472 26.879 ( -3.155 -3.155 0.314) 4.472 ======================= Grid point 467 (89/90) ======================= q-point: (-0.50 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 3.616 ( -0.678 9.713 -0.000) 9.736 3.616 ( 0.679 9.713 0.000) 9.736 3.784 ( -1.380 7.899 0.000) 8.018 3.784 ( 1.380 7.899 -0.000) 8.018 4.065 ( -0.744 -12.175 0.000) 12.198 4.065 ( 0.744 -12.175 0.000) 12.198 6.633 ( -0.227 -7.363 0.000) 7.366 6.633 ( 0.227 -7.363 0.000) 7.366 8.029 ( -3.632 6.228 -0.000) 7.210 8.029 ( 3.632 6.228 0.000) 7.210 8.063 ( -3.557 3.000 0.000) 4.653 8.063 ( 3.557 3.000 -0.000) 4.653 8.693 ( -0.353 -2.857 0.000) 2.879 8.693 ( 0.353 -2.857 0.000) 2.879 9.547 ( -0.132 5.589 0.000) 5.590 9.547 ( 0.132 5.589 -0.000) 5.590 10.033 ( -0.610 -1.049 0.000) 1.214 10.033 ( 0.610 -1.049 0.000) 1.214 10.148 ( -1.188 -2.341 -0.000) 2.625 10.148 ( 1.188 -2.341 -0.000) 2.625 10.338 ( -0.420 -12.661 0.000) 12.668 10.338 ( 0.420 -12.661 -0.000) 12.668 10.940 ( -0.028 -1.569 0.000) 1.570 10.940 ( 0.028 -1.569 0.000) 1.570 11.100 ( -0.010 3.482 -0.000) 3.482 11.100 ( 0.010 3.482 -0.000) 3.482 11.860 ( -0.040 4.041 0.000) 4.041 11.860 ( 0.040 4.041 0.000) 4.041 12.035 ( -0.207 4.561 0.000) 4.566 12.035 ( 0.207 4.561 0.000) 4.566 12.112 ( -0.053 -2.619 -0.000) 2.620 12.112 ( 0.053 -2.619 -0.000) 2.620 13.073 ( -5.704 8.808 0.000) 10.494 13.073 ( 5.704 8.808 0.000) 10.494 13.168 ( -6.393 -0.659 0.000) 6.427 13.168 ( 6.393 -0.659 -0.000) 6.427 13.434 ( -0.263 -3.535 0.000) 3.545 13.434 ( 0.263 -3.535 0.000) 3.545 13.529 ( -0.453 -0.651 -0.000) 0.793 13.529 ( 0.453 -0.651 -0.000) 0.793 14.235 ( -2.183 10.217 0.000) 10.447 14.235 ( 2.183 10.217 0.000) 10.447 14.395 ( -1.955 -3.766 -0.000) 4.243 14.395 ( 1.955 -3.766 -0.000) 4.243 14.593 ( -0.325 -4.928 0.000) 4.939 14.593 ( 0.325 -4.928 -0.000) 4.939 15.439 ( -2.588 11.399 0.000) 11.689 15.439 ( 2.588 11.399 0.000) 11.689 16.068 ( -9.120 8.462 0.000) 12.442 16.068 ( 9.120 8.462 0.000) 12.442 16.265 ( -5.106 4.409 0.000) 6.746 16.265 ( 5.106 4.409 0.000) 6.746 16.560 ( -5.049 -12.038 0.000) 13.054 16.560 ( 5.049 -12.038 0.000) 13.054 16.781 ( -3.080 -19.273 0.000) 19.518 16.781 ( 3.080 -19.273 0.000) 19.518 18.712 ( -0.048 4.389 0.000) 4.390 18.712 ( 0.048 4.389 0.000) 4.390 23.113 ( -0.310 17.398 0.000) 17.400 23.113 ( 0.310 17.398 0.000) 17.400 23.427 ( -1.927 -0.840 0.000) 2.102 23.427 ( 1.927 -0.840 0.000) 2.102 23.675 ( -1.531 -11.407 0.000) 11.509 23.675 ( 1.531 -11.407 -0.000) 11.509 26.848 ( -0.070 -3.495 0.000) 3.496 26.848 ( 0.070 -3.495 0.000) 3.496 ======================= Grid point 493 (90/90) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.97e-05 6.97e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 3.793 ( 0.000 0.000 0.000) 0.000 3.793 ( 0.000 0.000 0.000) 0.000 3.863 ( -0.000 -0.000 -10.340) 10.340 3.863 ( 0.000 0.000 -10.340) 10.340 3.863 ( -0.000 -0.000 10.340) 10.340 3.863 ( 0.000 0.000 10.340) 10.340 6.562 ( 0.000 0.000 0.000) 0.000 6.562 ( 0.000 0.000 0.000) 0.000 8.093 ( 0.000 0.000 -15.237) 15.237 8.093 ( 0.000 0.000 -15.237) 15.237 8.093 ( 0.000 0.000 15.237) 15.237 8.093 ( 0.000 0.000 15.237) 15.237 8.661 ( -0.000 -0.000 0.000) 0.000 8.661 ( 0.000 0.000 0.000) 0.000 9.591 ( 0.000 0.000 0.000) 0.000 9.591 ( 0.000 0.000 0.000) 0.000 10.116 ( -0.000 -0.000 0.000) 0.000 10.116 ( -0.000 -0.000 0.000) 0.000 10.128 ( -0.000 -0.000 -16.375) 16.375 10.128 ( 0.000 0.000 -16.375) 16.375 10.128 ( -0.000 -0.000 16.375) 16.375 10.128 ( 0.000 0.000 16.375) 16.375 10.923 ( 0.000 0.000 -0.000) 0.000 10.923 ( 0.000 0.000 0.000) 0.000 11.132 ( 0.000 0.000 -0.000) 0.000 11.132 ( 0.000 0.000 0.000) 0.000 11.906 ( 0.000 0.000 0.000) 0.000 11.906 ( 0.000 0.000 0.000) 0.000 12.082 ( -0.000 -0.000 -21.725) 21.725 12.082 ( 0.000 0.000 -21.725) 21.725 12.082 ( 0.000 0.000 21.725) 21.725 12.082 ( -0.000 -0.000 21.725) 21.725 13.163 ( 0.000 0.000 -32.354) 32.354 13.163 ( -0.000 -0.000 -32.354) 32.354 13.163 ( -0.000 -0.000 32.354) 32.354 13.163 ( 0.000 0.000 32.354) 32.354 13.392 ( 0.000 0.000 -0.000) 0.000 13.392 ( -0.000 -0.000 0.000) 0.000 13.529 ( -0.000 -0.000 -0.000) 0.000 13.529 ( 0.000 0.000 0.000) 0.000 14.349 ( -0.000 -0.000 -13.079) 13.079 14.349 ( 0.000 0.000 -13.079) 13.079 14.349 ( 0.000 0.000 13.079) 13.079 14.349 ( 0.000 0.000 13.079) 13.079 14.531 ( 0.000 0.000 0.000) 0.000 14.531 ( 0.000 0.000 0.000) 0.000 15.558 ( 0.000 0.000 0.000) 0.000 15.558 ( 0.000 0.000 0.000) 0.000 16.267 ( -0.000 -0.000 0.000) 0.000 16.267 ( 0.000 0.000 0.000) 0.000 16.335 ( -0.000 -0.000 -0.871) 0.871 16.335 ( 0.000 0.000 -0.871) 0.871 16.335 ( 0.000 0.000 0.871) 0.871 16.335 ( 0.000 0.000 0.871) 0.871 16.552 ( 0.000 0.000 0.000) 0.000 16.552 ( 0.000 0.000 0.000) 0.000 18.754 ( 0.000 0.000 0.000) 0.000 18.754 ( 0.000 0.000 0.000) 0.000 23.419 ( -0.000 -0.000 -17.543) 17.543 23.419 ( 0.000 0.000 -17.543) 17.543 23.419 ( -0.000 -0.000 17.544) 17.544 23.419 ( -0.000 -0.000 17.543) 17.543 23.429 ( 0.000 0.000 0.000) 0.000 23.429 ( 0.000 0.000 0.000) 0.000 26.813 ( 0.000 0.000 0.000) 0.000 26.813 ( 0.000 0.000 0.000) 0.000 =================== 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 3/42240 10.0 2442.433 2442.433 2180.745 0.000 0.000 0.000 3/42240 20.0 2313.825 2313.825 1779.861 0.000 0.000 0.000 3/42240 30.0 1273.294 1273.294 1087.729 0.000 0.000 0.000 3/42240 40.0 859.210 859.210 749.549 0.000 0.000 0.000 3/42240 50.0 572.050 572.050 501.549 0.000 0.000 0.000 3/42240 60.0 357.613 357.613 315.655 0.000 0.000 0.000 3/42240 70.0 223.428 223.428 197.444 0.000 0.000 0.000 3/42240 80.0 145.441 145.441 128.286 0.000 0.000 0.000 3/42240 90.0 99.822 99.822 87.888 0.000 0.000 0.000 3/42240 100.0 72.104 72.104 63.460 0.000 0.000 0.000 3/42240 110.0 54.472 54.472 48.008 0.000 0.000 0.000 3/42240 120.0 42.742 42.742 37.787 0.000 0.000 0.000 3/42240 130.0 34.615 34.615 30.740 0.000 0.000 0.000 3/42240 140.0 28.779 28.779 25.702 0.000 0.000 0.000 3/42240 150.0 24.455 24.455 21.981 0.000 0.000 0.000 3/42240 160.0 21.164 21.164 19.154 0.000 0.000 0.000 3/42240 170.0 18.600 18.600 16.953 0.000 0.000 0.000 3/42240 180.0 16.559 16.559 15.202 0.000 0.000 0.000 3/42240 190.0 14.907 14.907 13.782 0.000 0.000 0.000 3/42240 200.0 13.546 13.546 12.610 0.000 0.000 0.000 3/42240 210.0 12.411 12.411 11.630 0.000 0.000 0.000 3/42240 220.0 11.451 11.451 10.798 0.000 0.000 0.000 3/42240 230.0 10.630 10.630 10.084 0.000 0.000 0.000 3/42240 240.0 9.921 9.921 9.465 0.000 0.000 0.000 3/42240 250.0 9.304 9.304 8.923 0.000 0.000 0.000 3/42240 260.0 8.761 8.761 8.445 0.000 0.000 0.000 3/42240 270.0 8.281 8.281 8.019 0.000 0.000 0.000 3/42240 280.0 7.853 7.853 7.638 0.000 0.000 0.000 3/42240 290.0 7.470 7.470 7.295 0.000 0.000 0.000 3/42240 300.0 7.124 7.124 6.984 0.000 0.000 0.000 3/42240 310.0 6.811 6.811 6.700 0.000 0.000 0.000 3/42240 320.0 6.525 6.525 6.441 0.000 0.000 0.000 3/42240 330.0 6.264 6.264 6.203 0.000 0.000 0.000 3/42240 340.0 6.025 6.025 5.984 0.000 0.000 0.000 3/42240 350.0 5.804 5.804 5.780 0.000 0.000 0.000 3/42240 360.0 5.600 5.600 5.592 0.000 0.000 0.000 3/42240 370.0 5.411 5.411 5.416 0.000 0.000 0.000 3/42240 380.0 5.235 5.235 5.251 0.000 0.000 0.000 3/42240 390.0 5.071 5.071 5.098 0.000 0.000 0.000 3/42240 400.0 4.917 4.917 4.953 0.000 0.000 0.000 3/42240 410.0 4.773 4.773 4.817 0.000 0.000 0.000 3/42240 420.0 4.638 4.638 4.689 0.000 0.000 0.000 3/42240 430.0 4.511 4.511 4.568 0.000 0.000 0.000 3/42240 440.0 4.391 4.391 4.454 0.000 0.000 0.000 3/42240 450.0 4.277 4.277 4.345 0.000 0.000 0.000 3/42240 460.0 4.170 4.170 4.242 0.000 0.000 0.000 3/42240 470.0 4.068 4.068 4.144 0.000 0.000 0.000 3/42240 480.0 3.971 3.971 4.051 0.000 0.000 0.000 3/42240 490.0 3.879 3.879 3.962 0.000 0.000 0.000 3/42240 500.0 3.792 3.792 3.877 0.000 0.000 0.000 3/42240 510.0 3.708 3.708 3.796 0.000 0.000 0.000 3/42240 520.0 3.629 3.629 3.718 0.000 0.000 0.000 3/42240 530.0 3.552 3.552 3.644 0.000 0.000 0.000 3/42240 540.0 3.479 3.479 3.573 0.000 0.000 0.000 3/42240 550.0 3.410 3.410 3.504 0.000 0.000 0.000 3/42240 560.0 3.343 3.343 3.438 0.000 0.000 0.000 3/42240 570.0 3.278 3.278 3.375 0.000 0.000 0.000 3/42240 580.0 3.217 3.217 3.314 0.000 0.000 0.000 3/42240 590.0 3.157 3.157 3.256 0.000 0.000 0.000 3/42240 600.0 3.100 3.100 3.199 0.000 0.000 0.000 3/42240 610.0 3.045 3.045 3.145 0.000 0.000 0.000 3/42240 620.0 2.992 2.992 3.092 0.000 0.000 0.000 3/42240 630.0 2.941 2.941 3.041 0.000 0.000 0.000 3/42240 640.0 2.892 2.892 2.992 0.000 0.000 0.000 3/42240 650.0 2.844 2.844 2.944 0.000 0.000 0.000 3/42240 660.0 2.798 2.798 2.898 0.000 0.000 0.000 3/42240 670.0 2.754 2.754 2.854 0.000 0.000 0.000 3/42240 680.0 2.711 2.711 2.811 0.000 0.000 0.000 3/42240 690.0 2.669 2.669 2.769 0.000 0.000 0.000 3/42240 700.0 2.629 2.629 2.728 0.000 0.000 0.000 3/42240 710.0 2.590 2.590 2.689 0.000 0.000 0.000 3/42240 720.0 2.552 2.552 2.651 0.000 0.000 0.000 3/42240 730.0 2.515 2.515 2.614 0.000 0.000 0.000 3/42240 740.0 2.479 2.479 2.578 0.000 0.000 0.000 3/42240 750.0 2.444 2.444 2.543 0.000 0.000 0.000 3/42240 760.0 2.410 2.410 2.508 0.000 0.000 0.000 3/42240 770.0 2.378 2.378 2.475 0.000 0.000 0.000 3/42240 780.0 2.346 2.346 2.443 0.000 0.000 0.000 3/42240 790.0 2.315 2.315 2.412 0.000 0.000 0.000 3/42240 800.0 2.285 2.285 2.381 0.000 0.000 0.000 3/42240 810.0 2.255 2.255 2.351 0.000 0.000 0.000 3/42240 820.0 2.227 2.227 2.322 0.000 0.000 0.000 3/42240 830.0 2.199 2.199 2.294 0.000 0.000 0.000 3/42240 840.0 2.172 2.172 2.266 0.000 0.000 0.000 3/42240 850.0 2.145 2.145 2.239 0.000 0.000 0.000 3/42240 860.0 2.119 2.119 2.213 0.000 0.000 0.000 3/42240 870.0 2.094 2.094 2.187 0.000 0.000 0.000 3/42240 880.0 2.069 2.069 2.162 0.000 0.000 0.000 3/42240 890.0 2.045 2.045 2.137 0.000 0.000 0.000 3/42240 900.0 2.022 2.022 2.113 0.000 0.000 0.000 3/42240 910.0 1.999 1.999 2.090 0.000 0.000 0.000 3/42240 920.0 1.976 1.976 2.067 0.000 0.000 0.000 3/42240 930.0 1.955 1.955 2.044 0.000 0.000 0.000 3/42240 940.0 1.933 1.933 2.023 0.000 0.000 0.000 3/42240 950.0 1.912 1.912 2.001 0.000 0.000 0.000 3/42240 960.0 1.892 1.892 1.980 0.000 0.000 0.000 3/42240 970.0 1.872 1.872 1.959 0.000 0.000 0.000 3/42240 980.0 1.852 1.852 1.939 0.000 0.000 0.000 3/42240 990.0 1.833 1.833 1.920 0.000 0.000 0.000 3/42240 1000.0 1.814 1.814 1.900 0.000 0.000 0.000 3/42240 Thermal conductivity related properties were written into "kappa-m8810.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------\[time 2026-01-07 19:38:08\]------------------------- \_ \_\_\_ \_ \_\_ \_\_\| \| / \_ \\ '\_ \\ / \_\` \| \| \_\_/ \| \| \| (\_\| \| \\\_\_\_\|\_\| \|\_\|\\\_\_,\_\|