----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 06:30:48]------------------------- Compiled with OpenMP support (max 32 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.033877300000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.203516699999999 0.000000000000000 c 0.000000000000000 0.000000000000000 6.227296920000000 Atomic positions (fractional): *1 O 0.09802323830612 0.80042237181190 0.47979646769258 15.999 2 O 0.09802323830612 0.19957762818810 0.97979646769258 15.999 3 O 0.40197676169388 0.30042237181190 0.47979646769258 15.999 4 O 0.59802323830612 0.69957762818810 0.52020353230742 15.999 5 O 0.90197676169388 0.19957762818810 0.52020353230742 15.999 6 O 0.90197676169388 0.80042237181190 0.02020353230741 15.999 7 O 0.40197676169388 0.69957762818810 0.97979646769258 15.999 8 O 0.59802323830612 0.30042237181190 0.02020353230741 15.999 *9 K 0.34460503380518 0.89608382280548 0.60742896427606 39.098 10 K 0.84460503380518 0.60391617719452 0.39257103572394 39.098 11 K 0.34460503380518 0.10391617719452 0.10742896427606 39.098 12 K 0.84460503380518 0.39608382280548 0.89257103572394 39.098 13 K 0.65539496619482 0.10391617719452 0.39257103572394 39.098 14 K 0.15539496619482 0.39608382280548 0.60742896427606 39.098 15 K 0.15539496619482 0.60391617719452 0.10742896427606 39.098 16 K 0.65539496619482 0.89608382280548 0.89257103572394 39.098 *17 Cd 0.50000000000000 0.53834811684849 0.25000000000000 112.411 18 Cd 0.50000000000000 0.46165188315151 0.75000000000000 112.411 19 Cd 0.00000000000000 0.03834811684849 0.25000000000000 112.411 20 Cd 0.00000000000000 0.96165188315151 0.75000000000000 112.411 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.033877300000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.203516699999999 0.000000000000000 c 0.000000000000000 0.000000000000000 6.227296920000000 Atomic positions (fractional): *1 O 0.09802323830612 0.80042237181190 0.47979646769258 15.999 > 1 2 O 0.09802323830612 0.19957762818810 0.97979646769258 15.999 > 2 3 O 0.40197676169388 0.30042237181190 0.47979646769258 15.999 > 3 4 O 0.59802323830612 0.69957762818810 0.52020353230742 15.999 > 4 5 O 0.90197676169388 0.19957762818810 0.52020353230742 15.999 > 5 6 O 0.90197676169388 0.80042237181190 0.02020353230741 15.999 > 6 7 O 0.40197676169388 0.69957762818810 0.97979646769258 15.999 > 7 8 O 0.59802323830612 0.30042237181190 0.02020353230741 15.999 > 8 *9 K 0.34460503380518 0.89608382280548 0.60742896427606 39.098 > 9 10 K 0.84460503380518 0.60391617719452 0.39257103572394 39.098 > 10 11 K 0.34460503380518 0.10391617719452 0.10742896427606 39.098 > 11 12 K 0.84460503380518 0.39608382280548 0.89257103572394 39.098 > 12 13 K 0.65539496619482 0.10391617719452 0.39257103572394 39.098 > 13 14 K 0.15539496619482 0.39608382280548 0.60742896427606 39.098 > 14 15 K 0.15539496619482 0.60391617719452 0.10742896427606 39.098 > 15 16 K 0.65539496619482 0.89608382280548 0.89257103572394 39.098 > 16 *17 Cd 0.50000000000000 0.53834811684849 0.25000000000000 112.411 > 17 18 Cd 0.50000000000000 0.46165188315151 0.75000000000000 112.411 > 18 19 Cd 0.00000000000000 0.03834811684849 0.25000000000000 112.411 > 19 20 Cd 0.00000000000000 0.96165188315151 0.75000000000000 112.411 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.033877300000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.407033399999998 0.000000000000000 c 0.000000000000000 0.000000000000000 12.454593839999999 Atomic positions (fractional): *1 O 0.09802323830612 0.40021118590595 0.23989823384629 15.999 > 1 2 O 0.09802323830612 0.90021118590595 0.23989823384629 15.999 > 1 3 O 0.09802323830612 0.40021118590595 0.73989823384629 15.999 > 1 4 O 0.09802323830612 0.90021118590595 0.73989823384629 15.999 > 1 5 O 0.09802323830612 0.09978881409405 0.48989823384629 15.999 > 2 6 O 0.09802323830612 0.59978881409405 0.48989823384629 15.999 > 2 7 O 0.09802323830612 0.09978881409405 0.98989823384629 15.999 > 2 8 O 0.09802323830612 0.59978881409405 0.98989823384629 15.999 > 2 9 O 0.40197676169388 0.15021118590595 0.23989823384629 15.999 > 3 10 O 0.40197676169388 0.65021118590595 0.23989823384629 15.999 > 3 11 O 0.40197676169388 0.15021118590595 0.73989823384629 15.999 > 3 12 O 0.40197676169388 0.65021118590595 0.73989823384629 15.999 > 3 13 O 0.59802323830612 0.34978881409405 0.26010176615371 15.999 > 4 14 O 0.59802323830612 0.84978881409405 0.26010176615371 15.999 > 4 15 O 0.59802323830612 0.34978881409405 0.76010176615371 15.999 > 4 16 O 0.59802323830612 0.84978881409405 0.76010176615371 15.999 > 4 17 O 0.90197676169388 0.09978881409405 0.26010176615371 15.999 > 5 18 O 0.90197676169388 0.59978881409405 0.26010176615371 15.999 > 5 19 O 0.90197676169388 0.09978881409405 0.76010176615371 15.999 > 5 20 O 0.90197676169388 0.59978881409405 0.76010176615371 15.999 > 5 21 O 0.90197676169388 0.40021118590595 0.01010176615371 15.999 > 6 22 O 0.90197676169388 0.90021118590595 0.01010176615371 15.999 > 6 23 O 0.90197676169388 0.40021118590595 0.51010176615371 15.999 > 6 24 O 0.90197676169388 0.90021118590595 0.51010176615371 15.999 > 6 25 O 0.40197676169388 0.34978881409405 0.48989823384629 15.999 > 7 26 O 0.40197676169388 0.84978881409405 0.48989823384629 15.999 > 7 27 O 0.40197676169388 0.34978881409405 0.98989823384629 15.999 > 7 28 O 0.40197676169388 0.84978881409405 0.98989823384629 15.999 > 7 29 O 0.59802323830612 0.15021118590595 0.01010176615371 15.999 > 8 30 O 0.59802323830612 0.65021118590595 0.01010176615371 15.999 > 8 31 O 0.59802323830612 0.15021118590595 0.51010176615371 15.999 > 8 32 O 0.59802323830612 0.65021118590595 0.51010176615371 15.999 > 8 *33 K 0.34460503380518 0.44804191140274 0.30371448213803 39.098 > 9 34 K 0.34460503380518 0.94804191140274 0.30371448213803 39.098 > 9 35 K 0.34460503380518 0.44804191140274 0.80371448213803 39.098 > 9 36 K 0.34460503380518 0.94804191140274 0.80371448213803 39.098 > 9 37 K 0.84460503380518 0.30195808859726 0.19628551786197 39.098 > 10 38 K 0.84460503380518 0.80195808859726 0.19628551786197 39.098 > 10 39 K 0.84460503380518 0.30195808859726 0.69628551786197 39.098 > 10 40 K 0.84460503380518 0.80195808859726 0.69628551786197 39.098 > 10 41 K 0.34460503380518 0.05195808859726 0.05371448213803 39.098 > 11 42 K 0.34460503380518 0.55195808859726 0.05371448213803 39.098 > 11 43 K 0.34460503380518 0.05195808859726 0.55371448213803 39.098 > 11 44 K 0.34460503380518 0.55195808859726 0.55371448213803 39.098 > 11 45 K 0.84460503380518 0.19804191140274 0.44628551786197 39.098 > 12 46 K 0.84460503380518 0.69804191140274 0.44628551786197 39.098 > 12 47 K 0.84460503380518 0.19804191140274 0.94628551786197 39.098 > 12 48 K 0.84460503380518 0.69804191140274 0.94628551786197 39.098 > 12 49 K 0.65539496619482 0.05195808859726 0.19628551786197 39.098 > 13 50 K 0.65539496619482 0.55195808859726 0.19628551786197 39.098 > 13 51 K 0.65539496619482 0.05195808859726 0.69628551786197 39.098 > 13 52 K 0.65539496619482 0.55195808859726 0.69628551786197 39.098 > 13 53 K 0.15539496619482 0.19804191140274 0.30371448213803 39.098 > 14 54 K 0.15539496619482 0.69804191140274 0.30371448213803 39.098 > 14 55 K 0.15539496619482 0.19804191140274 0.80371448213803 39.098 > 14 56 K 0.15539496619482 0.69804191140274 0.80371448213803 39.098 > 14 57 K 0.15539496619482 0.30195808859726 0.05371448213803 39.098 > 15 58 K 0.15539496619482 0.80195808859726 0.05371448213803 39.098 > 15 59 K 0.15539496619482 0.30195808859726 0.55371448213803 39.098 > 15 60 K 0.15539496619482 0.80195808859726 0.55371448213803 39.098 > 15 61 K 0.65539496619482 0.44804191140274 0.44628551786197 39.098 > 16 62 K 0.65539496619482 0.94804191140274 0.44628551786197 39.098 > 16 63 K 0.65539496619482 0.44804191140274 0.94628551786197 39.098 > 16 64 K 0.65539496619482 0.94804191140274 0.94628551786197 39.098 > 16 *65 Cd 0.50000000000000 0.26917405842425 0.12500000000000 112.411 > 17 66 Cd 0.50000000000000 0.76917405842425 0.12500000000000 112.411 > 17 67 Cd 0.50000000000000 0.26917405842425 0.62500000000000 112.411 > 17 68 Cd 0.50000000000000 0.76917405842425 0.62500000000000 112.411 > 17 69 Cd 0.50000000000000 0.23082594157576 0.37500000000000 112.411 > 18 70 Cd 0.50000000000000 0.73082594157575 0.37500000000000 112.411 > 18 71 Cd 0.50000000000000 0.23082594157576 0.87500000000000 112.411 > 18 72 Cd 0.50000000000000 0.73082594157575 0.87500000000000 112.411 > 18 73 Cd 0.00000000000000 0.01917405842425 0.12500000000000 112.411 > 19 74 Cd 0.00000000000000 0.51917405842425 0.12500000000000 112.411 > 19 75 Cd 0.00000000000000 0.01917405842425 0.62500000000000 112.411 > 19 76 Cd 0.00000000000000 0.51917405842425 0.62500000000000 112.411 > 19 77 Cd 0.00000000000000 0.48082594157575 0.37500000000000 112.411 > 20 78 Cd 0.00000000000000 0.98082594157575 0.37500000000000 112.411 > 20 79 Cd 0.00000000000000 0.48082594157575 0.87500000000000 112.411 > 20 80 Cd 0.00000000000000 0.98082594157575 0.87500000000000 112.411 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4918643 0.0000000 0.0000000 0.0000000 3.6328856 0.0000000 0.0000000 0.0000000 4.2208463 -------------------------- Born effective charges -------------------------- 1 O -1.7934882 0.3647845 0.0563626 0.3585359 -1.9275583 -0.1567396 -0.0250810 0.0956744 -2.2947225 2 O -1.7934882 -0.3647845 0.0563626 -0.3585359 -1.9275583 0.1567396 -0.0250810 -0.0956744 -2.2947225 3 O -1.7934882 -0.3647845 -0.0563626 -0.3585359 -1.9275583 -0.1567396 0.0250810 0.0956744 -2.2947225 4 O -1.7934882 -0.3647845 -0.0563626 -0.3585359 -1.9275583 -0.1567396 0.0250810 0.0956744 -2.2947225 5 O -1.7934882 0.3647845 0.0563626 0.3585359 -1.9275583 -0.1567396 -0.0250810 0.0956744 -2.2947225 6 O -1.7934882 -0.3647845 0.0563626 -0.3585359 -1.9275583 0.1567396 -0.0250810 -0.0956744 -2.2947225 7 O -1.7934882 0.3647845 -0.0563626 0.3585359 -1.9275583 0.1567396 0.0250810 -0.0956744 -2.2947225 8 O -1.7934882 0.3647845 -0.0563626 0.3585359 -1.9275583 0.1567396 0.0250810 -0.0956744 -2.2947225 9 K 1.2005373 -0.0653297 0.0367517 -0.1401174 1.1924683 -0.0904021 -0.0263501 -0.0468228 1.0348159 10 K 1.2005373 0.0653297 -0.0367517 0.1401174 1.1924683 -0.0904021 0.0263501 -0.0468228 1.0348159 11 K 1.2005373 0.0653297 0.0367517 0.1401174 1.1924683 0.0904021 -0.0263501 0.0468228 1.0348159 12 K 1.2005373 -0.0653297 -0.0367517 -0.1401174 1.1924683 0.0904021 0.0263501 0.0468228 1.0348159 13 K 1.2005373 -0.0653297 0.0367517 -0.1401174 1.1924683 -0.0904021 -0.0263501 -0.0468228 1.0348159 14 K 1.2005373 0.0653297 -0.0367517 0.1401174 1.1924683 -0.0904021 0.0263501 -0.0468228 1.0348159 15 K 1.2005373 -0.0653297 -0.0367517 -0.1401174 1.1924683 0.0904021 0.0263501 0.0468228 1.0348159 16 K 1.2005373 0.0653297 0.0367517 0.1401174 1.1924683 0.0904021 -0.0263501 0.0468228 1.0348159 17 Cd 1.1859017 0.0000000 0.1513659 0.0000000 1.4701800 -0.0000000 0.0257008 0.0000000 2.5198131 18 Cd 1.1859017 0.0000000 0.1513659 0.0000000 1.4701800 -0.0000000 0.0257008 0.0000000 2.5198131 19 Cd 1.1859017 0.0000000 -0.1513659 0.0000000 1.4701800 -0.0000000 -0.0257008 0.0000000 2.5198131 20 Cd 1.1859017 0.0000000 -0.1513659 0.0000000 1.4701800 -0.0000000 -0.0257008 0.0000000 2.5198131 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 962 Number of blocks in projector: 962 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 204 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 196 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 196 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 122 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 122 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 122 Use standard eigh solver. Tree of FC basis block matrices: - (962, 939), data: False |-- (122, 119), data: True |-- (122, 119), data: True |-- (122, 119), data: True |-- (196, 192), data: True |-- (196, 192), data: True |-- (204, 198), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 320 - Time: 0.217 Solver_block: 200 / 320 - Time: 0.212 Solver_block: 300 / 320 - Time: 0.214 Solver_block: 320 / 320 - Time: 0.055 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.709 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 962 Number of blocks in projector: 962 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 204 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 196 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 196 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 122 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 122 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 122 Use standard eigh solver. Tree of FC basis block matrices: - (962, 939), data: False |-- (122, 119), data: True |-- (122, 119), data: True |-- (122, 119), data: True |-- (196, 192), data: True |-- (196, 192), data: True |-- (204, 198), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 06:31:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:31:01]------------------------- Compiled with OpenMP support (max 32 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.033877300000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.203516699999999 0.000000000000000 c 0.000000000000000 0.000000000000000 6.227296920000000 Atomic positions (fractional): 1 O 0.09802323830612 0.80042237181190 0.47979646769258 15.999 2 O 0.09802323830612 0.19957762818810 0.97979646769258 15.999 3 O 0.40197676169388 0.30042237181190 0.47979646769258 15.999 4 O 0.59802323830612 0.69957762818810 0.52020353230742 15.999 5 O 0.90197676169388 0.19957762818810 0.52020353230742 15.999 6 O 0.90197676169388 0.80042237181190 0.02020353230741 15.999 7 O 0.40197676169388 0.69957762818810 0.97979646769258 15.999 8 O 0.59802323830612 0.30042237181190 0.02020353230741 15.999 9 K 0.34460503380518 0.89608382280548 0.60742896427606 39.098 10 K 0.84460503380518 0.60391617719452 0.39257103572394 39.098 11 K 0.34460503380518 0.10391617719452 0.10742896427606 39.098 12 K 0.84460503380518 0.39608382280548 0.89257103572394 39.098 13 K 0.65539496619482 0.10391617719452 0.39257103572394 39.098 14 K 0.15539496619482 0.39608382280548 0.60742896427606 39.098 15 K 0.15539496619482 0.60391617719452 0.10742896427606 39.098 16 K 0.65539496619482 0.89608382280548 0.89257103572394 39.098 17 Cd 0.50000000000000 0.53834811684849 0.25000000000000 112.411 18 Cd 0.50000000000000 0.46165188315151 0.75000000000000 112.411 19 Cd 0.00000000000000 0.03834811684849 0.25000000000000 112.411 20 Cd 0.00000000000000 0.96165188315151 0.75000000000000 112.411 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.033877300000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.407033399999998 0.000000000000000 c 0.000000000000000 0.000000000000000 12.454593839999999 Atomic positions (fractional): 1 O 0.09802323830612 0.40021118590595 0.23989823384629 15.999 > 1 2 O 0.09802323830612 0.90021118590595 0.23989823384629 15.999 > 1 3 O 0.09802323830612 0.40021118590595 0.73989823384629 15.999 > 1 4 O 0.09802323830612 0.90021118590595 0.73989823384629 15.999 > 1 5 O 0.09802323830612 0.09978881409405 0.48989823384629 15.999 > 5 6 O 0.09802323830612 0.59978881409405 0.48989823384629 15.999 > 5 7 O 0.09802323830612 0.09978881409405 0.98989823384629 15.999 > 5 8 O 0.09802323830612 0.59978881409405 0.98989823384629 15.999 > 5 9 O 0.40197676169388 0.15021118590595 0.23989823384629 15.999 > 9 10 O 0.40197676169388 0.65021118590595 0.23989823384629 15.999 > 9 11 O 0.40197676169388 0.15021118590595 0.73989823384629 15.999 > 9 12 O 0.40197676169388 0.65021118590595 0.73989823384629 15.999 > 9 13 O 0.59802323830612 0.34978881409405 0.26010176615371 15.999 > 13 14 O 0.59802323830612 0.84978881409405 0.26010176615371 15.999 > 13 15 O 0.59802323830612 0.34978881409405 0.76010176615371 15.999 > 13 16 O 0.59802323830612 0.84978881409405 0.76010176615371 15.999 > 13 17 O 0.90197676169388 0.09978881409405 0.26010176615371 15.999 > 17 18 O 0.90197676169388 0.59978881409405 0.26010176615371 15.999 > 17 19 O 0.90197676169388 0.09978881409405 0.76010176615371 15.999 > 17 20 O 0.90197676169388 0.59978881409405 0.76010176615371 15.999 > 17 21 O 0.90197676169388 0.40021118590595 0.01010176615371 15.999 > 21 22 O 0.90197676169388 0.90021118590595 0.01010176615371 15.999 > 21 23 O 0.90197676169388 0.40021118590595 0.51010176615371 15.999 > 21 24 O 0.90197676169388 0.90021118590595 0.51010176615371 15.999 > 21 25 O 0.40197676169388 0.34978881409405 0.48989823384629 15.999 > 25 26 O 0.40197676169388 0.84978881409405 0.48989823384629 15.999 > 25 27 O 0.40197676169388 0.34978881409405 0.98989823384629 15.999 > 25 28 O 0.40197676169388 0.84978881409405 0.98989823384629 15.999 > 25 29 O 0.59802323830612 0.15021118590595 0.01010176615371 15.999 > 29 30 O 0.59802323830612 0.65021118590595 0.01010176615371 15.999 > 29 31 O 0.59802323830612 0.15021118590595 0.51010176615371 15.999 > 29 32 O 0.59802323830612 0.65021118590595 0.51010176615371 15.999 > 29 33 K 0.34460503380518 0.44804191140274 0.30371448213803 39.098 > 33 34 K 0.34460503380518 0.94804191140274 0.30371448213803 39.098 > 33 35 K 0.34460503380518 0.44804191140274 0.80371448213803 39.098 > 33 36 K 0.34460503380518 0.94804191140274 0.80371448213803 39.098 > 33 37 K 0.84460503380518 0.30195808859726 0.19628551786197 39.098 > 37 38 K 0.84460503380518 0.80195808859726 0.19628551786197 39.098 > 37 39 K 0.84460503380518 0.30195808859726 0.69628551786197 39.098 > 37 40 K 0.84460503380518 0.80195808859726 0.69628551786197 39.098 > 37 41 K 0.34460503380518 0.05195808859726 0.05371448213803 39.098 > 41 42 K 0.34460503380518 0.55195808859726 0.05371448213803 39.098 > 41 43 K 0.34460503380518 0.05195808859726 0.55371448213803 39.098 > 41 44 K 0.34460503380518 0.55195808859726 0.55371448213803 39.098 > 41 45 K 0.84460503380518 0.19804191140274 0.44628551786197 39.098 > 45 46 K 0.84460503380518 0.69804191140274 0.44628551786197 39.098 > 45 47 K 0.84460503380518 0.19804191140274 0.94628551786197 39.098 > 45 48 K 0.84460503380518 0.69804191140274 0.94628551786197 39.098 > 45 49 K 0.65539496619482 0.05195808859726 0.19628551786197 39.098 > 49 50 K 0.65539496619482 0.55195808859726 0.19628551786197 39.098 > 49 51 K 0.65539496619482 0.05195808859726 0.69628551786197 39.098 > 49 52 K 0.65539496619482 0.55195808859726 0.69628551786197 39.098 > 49 53 K 0.15539496619482 0.19804191140274 0.30371448213803 39.098 > 53 54 K 0.15539496619482 0.69804191140274 0.30371448213803 39.098 > 53 55 K 0.15539496619482 0.19804191140274 0.80371448213803 39.098 > 53 56 K 0.15539496619482 0.69804191140274 0.80371448213803 39.098 > 53 57 K 0.15539496619482 0.30195808859726 0.05371448213803 39.098 > 57 58 K 0.15539496619482 0.80195808859726 0.05371448213803 39.098 > 57 59 K 0.15539496619482 0.30195808859726 0.55371448213803 39.098 > 57 60 K 0.15539496619482 0.80195808859726 0.55371448213803 39.098 > 57 61 K 0.65539496619482 0.44804191140274 0.44628551786197 39.098 > 61 62 K 0.65539496619482 0.94804191140274 0.44628551786197 39.098 > 61 63 K 0.65539496619482 0.44804191140274 0.94628551786197 39.098 > 61 64 K 0.65539496619482 0.94804191140274 0.94628551786197 39.098 > 61 65 Cd 0.50000000000000 0.26917405842425 0.12500000000000 112.411 > 65 66 Cd 0.50000000000000 0.76917405842425 0.12500000000000 112.411 > 65 67 Cd 0.50000000000000 0.26917405842425 0.62500000000000 112.411 > 65 68 Cd 0.50000000000000 0.76917405842425 0.62500000000000 112.411 > 65 69 Cd 0.50000000000000 0.23082594157576 0.37500000000000 112.411 > 69 70 Cd 0.50000000000000 0.73082594157575 0.37500000000000 112.411 > 69 71 Cd 0.50000000000000 0.23082594157576 0.87500000000000 112.411 > 69 72 Cd 0.50000000000000 0.73082594157575 0.87500000000000 112.411 > 69 73 Cd 0.00000000000000 0.01917405842425 0.12500000000000 112.411 > 73 74 Cd 0.00000000000000 0.51917405842425 0.12500000000000 112.411 > 73 75 Cd 0.00000000000000 0.01917405842425 0.62500000000000 112.411 > 73 76 Cd 0.00000000000000 0.51917405842425 0.62500000000000 112.411 > 73 77 Cd 0.00000000000000 0.48082594157575 0.37500000000000 112.411 > 77 78 Cd 0.00000000000000 0.98082594157575 0.37500000000000 112.411 > 77 79 Cd 0.00000000000000 0.48082594157575 0.87500000000000 112.411 > 77 80 Cd 0.00000000000000 0.98082594157575 0.87500000000000 112.411 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4918643 0.0000000 0.0000000 0.0000000 3.6328856 0.0000000 0.0000000 0.0000000 4.2208463 -------------------------- Born effective charges -------------------------- 1 O -1.7934882 0.3647845 0.0563626 0.3585359 -1.9275583 -0.1567396 -0.0250810 0.0956744 -2.2947225 2 O -1.7934882 -0.3647845 0.0563626 -0.3585359 -1.9275583 0.1567396 -0.0250810 -0.0956744 -2.2947225 3 O -1.7934882 -0.3647845 -0.0563626 -0.3585359 -1.9275583 -0.1567396 0.0250810 0.0956744 -2.2947225 4 O -1.7934882 -0.3647845 -0.0563626 -0.3585359 -1.9275583 -0.1567396 0.0250810 0.0956744 -2.2947225 5 O -1.7934882 0.3647845 0.0563626 0.3585359 -1.9275583 -0.1567396 -0.0250810 0.0956744 -2.2947225 6 O -1.7934882 -0.3647845 0.0563626 -0.3585359 -1.9275583 0.1567396 -0.0250810 -0.0956744 -2.2947225 7 O -1.7934882 0.3647845 -0.0563626 0.3585359 -1.9275583 0.1567396 0.0250810 -0.0956744 -2.2947225 8 O -1.7934882 0.3647845 -0.0563626 0.3585359 -1.9275583 0.1567396 0.0250810 -0.0956744 -2.2947225 9 K 1.2005373 -0.0653297 0.0367517 -0.1401174 1.1924683 -0.0904021 -0.0263501 -0.0468228 1.0348159 10 K 1.2005373 0.0653297 -0.0367517 0.1401174 1.1924683 -0.0904021 0.0263501 -0.0468228 1.0348159 11 K 1.2005373 0.0653297 0.0367517 0.1401174 1.1924683 0.0904021 -0.0263501 0.0468228 1.0348159 12 K 1.2005373 -0.0653297 -0.0367517 -0.1401174 1.1924683 0.0904021 0.0263501 0.0468228 1.0348159 13 K 1.2005373 -0.0653297 0.0367517 -0.1401174 1.1924683 -0.0904021 -0.0263501 -0.0468228 1.0348159 14 K 1.2005373 0.0653297 -0.0367517 0.1401174 1.1924683 -0.0904021 0.0263501 -0.0468228 1.0348159 15 K 1.2005373 -0.0653297 -0.0367517 -0.1401174 1.1924683 0.0904021 0.0263501 0.0468228 1.0348159 16 K 1.2005373 0.0653297 0.0367517 0.1401174 1.1924683 0.0904021 -0.0263501 0.0468228 1.0348159 17 Cd 1.1859017 0.0000000 0.1513659 0.0000000 1.4701800 -0.0000000 0.0257008 0.0000000 2.5198131 18 Cd 1.1859017 0.0000000 0.1513659 0.0000000 1.4701800 -0.0000000 0.0257008 0.0000000 2.5198131 19 Cd 1.1859017 0.0000000 -0.1513659 0.0000000 1.4701800 -0.0000000 -0.0257008 0.0000000 2.5198131 20 Cd 1.1859017 0.0000000 -0.1513659 0.0000000 1.4701800 -0.0000000 -0.0257008 0.0000000 2.5198131 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) 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 2026-01-08 06:31:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:31:11]------------------------- Compiled with OpenMP support (max 32 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.033877300000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.203516699999999 0.000000000000000 c 0.000000000000000 0.000000000000000 6.227296920000000 Atomic positions (fractional): 1 O 0.09802323830612 0.80042237181190 0.47979646769258 15.999 2 O 0.09802323830612 0.19957762818810 0.97979646769258 15.999 3 O 0.40197676169388 0.30042237181190 0.47979646769258 15.999 4 O 0.59802323830612 0.69957762818810 0.52020353230742 15.999 5 O 0.90197676169388 0.19957762818810 0.52020353230742 15.999 6 O 0.90197676169388 0.80042237181190 0.02020353230741 15.999 7 O 0.40197676169388 0.69957762818810 0.97979646769258 15.999 8 O 0.59802323830612 0.30042237181190 0.02020353230741 15.999 9 K 0.34460503380518 0.89608382280548 0.60742896427606 39.098 10 K 0.84460503380518 0.60391617719452 0.39257103572394 39.098 11 K 0.34460503380518 0.10391617719452 0.10742896427606 39.098 12 K 0.84460503380518 0.39608382280548 0.89257103572394 39.098 13 K 0.65539496619482 0.10391617719452 0.39257103572394 39.098 14 K 0.15539496619482 0.39608382280548 0.60742896427606 39.098 15 K 0.15539496619482 0.60391617719452 0.10742896427606 39.098 16 K 0.65539496619482 0.89608382280548 0.89257103572394 39.098 17 Cd 0.50000000000000 0.53834811684849 0.25000000000000 112.411 18 Cd 0.50000000000000 0.46165188315151 0.75000000000000 112.411 19 Cd 0.00000000000000 0.03834811684849 0.25000000000000 112.411 20 Cd 0.00000000000000 0.96165188315151 0.75000000000000 112.411 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.033877300000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.407033399999998 0.000000000000000 c 0.000000000000000 0.000000000000000 12.454593839999999 Atomic positions (fractional): 1 O 0.09802323830612 0.40021118590595 0.23989823384629 15.999 > 1 2 O 0.09802323830612 0.90021118590595 0.23989823384629 15.999 > 1 3 O 0.09802323830612 0.40021118590595 0.73989823384629 15.999 > 1 4 O 0.09802323830612 0.90021118590595 0.73989823384629 15.999 > 1 5 O 0.09802323830612 0.09978881409405 0.48989823384629 15.999 > 5 6 O 0.09802323830612 0.59978881409405 0.48989823384629 15.999 > 5 7 O 0.09802323830612 0.09978881409405 0.98989823384629 15.999 > 5 8 O 0.09802323830612 0.59978881409405 0.98989823384629 15.999 > 5 9 O 0.40197676169388 0.15021118590595 0.23989823384629 15.999 > 9 10 O 0.40197676169388 0.65021118590595 0.23989823384629 15.999 > 9 11 O 0.40197676169388 0.15021118590595 0.73989823384629 15.999 > 9 12 O 0.40197676169388 0.65021118590595 0.73989823384629 15.999 > 9 13 O 0.59802323830612 0.34978881409405 0.26010176615371 15.999 > 13 14 O 0.59802323830612 0.84978881409405 0.26010176615371 15.999 > 13 15 O 0.59802323830612 0.34978881409405 0.76010176615371 15.999 > 13 16 O 0.59802323830612 0.84978881409405 0.76010176615371 15.999 > 13 17 O 0.90197676169388 0.09978881409405 0.26010176615371 15.999 > 17 18 O 0.90197676169388 0.59978881409405 0.26010176615371 15.999 > 17 19 O 0.90197676169388 0.09978881409405 0.76010176615371 15.999 > 17 20 O 0.90197676169388 0.59978881409405 0.76010176615371 15.999 > 17 21 O 0.90197676169388 0.40021118590595 0.01010176615371 15.999 > 21 22 O 0.90197676169388 0.90021118590595 0.01010176615371 15.999 > 21 23 O 0.90197676169388 0.40021118590595 0.51010176615371 15.999 > 21 24 O 0.90197676169388 0.90021118590595 0.51010176615371 15.999 > 21 25 O 0.40197676169388 0.34978881409405 0.48989823384629 15.999 > 25 26 O 0.40197676169388 0.84978881409405 0.48989823384629 15.999 > 25 27 O 0.40197676169388 0.34978881409405 0.98989823384629 15.999 > 25 28 O 0.40197676169388 0.84978881409405 0.98989823384629 15.999 > 25 29 O 0.59802323830612 0.15021118590595 0.01010176615371 15.999 > 29 30 O 0.59802323830612 0.65021118590595 0.01010176615371 15.999 > 29 31 O 0.59802323830612 0.15021118590595 0.51010176615371 15.999 > 29 32 O 0.59802323830612 0.65021118590595 0.51010176615371 15.999 > 29 33 K 0.34460503380518 0.44804191140274 0.30371448213803 39.098 > 33 34 K 0.34460503380518 0.94804191140274 0.30371448213803 39.098 > 33 35 K 0.34460503380518 0.44804191140274 0.80371448213803 39.098 > 33 36 K 0.34460503380518 0.94804191140274 0.80371448213803 39.098 > 33 37 K 0.84460503380518 0.30195808859726 0.19628551786197 39.098 > 37 38 K 0.84460503380518 0.80195808859726 0.19628551786197 39.098 > 37 39 K 0.84460503380518 0.30195808859726 0.69628551786197 39.098 > 37 40 K 0.84460503380518 0.80195808859726 0.69628551786197 39.098 > 37 41 K 0.34460503380518 0.05195808859726 0.05371448213803 39.098 > 41 42 K 0.34460503380518 0.55195808859726 0.05371448213803 39.098 > 41 43 K 0.34460503380518 0.05195808859726 0.55371448213803 39.098 > 41 44 K 0.34460503380518 0.55195808859726 0.55371448213803 39.098 > 41 45 K 0.84460503380518 0.19804191140274 0.44628551786197 39.098 > 45 46 K 0.84460503380518 0.69804191140274 0.44628551786197 39.098 > 45 47 K 0.84460503380518 0.19804191140274 0.94628551786197 39.098 > 45 48 K 0.84460503380518 0.69804191140274 0.94628551786197 39.098 > 45 49 K 0.65539496619482 0.05195808859726 0.19628551786197 39.098 > 49 50 K 0.65539496619482 0.55195808859726 0.19628551786197 39.098 > 49 51 K 0.65539496619482 0.05195808859726 0.69628551786197 39.098 > 49 52 K 0.65539496619482 0.55195808859726 0.69628551786197 39.098 > 49 53 K 0.15539496619482 0.19804191140274 0.30371448213803 39.098 > 53 54 K 0.15539496619482 0.69804191140274 0.30371448213803 39.098 > 53 55 K 0.15539496619482 0.19804191140274 0.80371448213803 39.098 > 53 56 K 0.15539496619482 0.69804191140274 0.80371448213803 39.098 > 53 57 K 0.15539496619482 0.30195808859726 0.05371448213803 39.098 > 57 58 K 0.15539496619482 0.80195808859726 0.05371448213803 39.098 > 57 59 K 0.15539496619482 0.30195808859726 0.55371448213803 39.098 > 57 60 K 0.15539496619482 0.80195808859726 0.55371448213803 39.098 > 57 61 K 0.65539496619482 0.44804191140274 0.44628551786197 39.098 > 61 62 K 0.65539496619482 0.94804191140274 0.44628551786197 39.098 > 61 63 K 0.65539496619482 0.44804191140274 0.94628551786197 39.098 > 61 64 K 0.65539496619482 0.94804191140274 0.94628551786197 39.098 > 61 65 Cd 0.50000000000000 0.26917405842425 0.12500000000000 112.411 > 65 66 Cd 0.50000000000000 0.76917405842425 0.12500000000000 112.411 > 65 67 Cd 0.50000000000000 0.26917405842425 0.62500000000000 112.411 > 65 68 Cd 0.50000000000000 0.76917405842425 0.62500000000000 112.411 > 65 69 Cd 0.50000000000000 0.23082594157576 0.37500000000000 112.411 > 69 70 Cd 0.50000000000000 0.73082594157575 0.37500000000000 112.411 > 69 71 Cd 0.50000000000000 0.23082594157576 0.87500000000000 112.411 > 69 72 Cd 0.50000000000000 0.73082594157575 0.87500000000000 112.411 > 69 73 Cd 0.00000000000000 0.01917405842425 0.12500000000000 112.411 > 73 74 Cd 0.00000000000000 0.51917405842425 0.12500000000000 112.411 > 73 75 Cd 0.00000000000000 0.01917405842425 0.62500000000000 112.411 > 73 76 Cd 0.00000000000000 0.51917405842425 0.62500000000000 112.411 > 73 77 Cd 0.00000000000000 0.48082594157575 0.37500000000000 112.411 > 77 78 Cd 0.00000000000000 0.98082594157575 0.37500000000000 112.411 > 77 79 Cd 0.00000000000000 0.48082594157575 0.87500000000000 112.411 > 77 80 Cd 0.00000000000000 0.98082594157575 0.87500000000000 112.411 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.4918643 0.0000000 0.0000000 0.0000000 3.6328856 0.0000000 0.0000000 0.0000000 4.2208463 -------------------------- Born effective charges -------------------------- 1 O -1.7934882 0.3647845 0.0563626 0.3585359 -1.9275583 -0.1567396 -0.0250810 0.0956744 -2.2947225 2 O -1.7934882 -0.3647845 0.0563626 -0.3585359 -1.9275583 0.1567396 -0.0250810 -0.0956744 -2.2947225 3 O -1.7934882 -0.3647845 -0.0563626 -0.3585359 -1.9275583 -0.1567396 0.0250810 0.0956744 -2.2947225 4 O -1.7934882 -0.3647845 -0.0563626 -0.3585359 -1.9275583 -0.1567396 0.0250810 0.0956744 -2.2947225 5 O -1.7934882 0.3647845 0.0563626 0.3585359 -1.9275583 -0.1567396 -0.0250810 0.0956744 -2.2947225 6 O -1.7934882 -0.3647845 0.0563626 -0.3585359 -1.9275583 0.1567396 -0.0250810 -0.0956744 -2.2947225 7 O -1.7934882 0.3647845 -0.0563626 0.3585359 -1.9275583 0.1567396 0.0250810 -0.0956744 -2.2947225 8 O -1.7934882 0.3647845 -0.0563626 0.3585359 -1.9275583 0.1567396 0.0250810 -0.0956744 -2.2947225 9 K 1.2005373 -0.0653297 0.0367517 -0.1401174 1.1924683 -0.0904021 -0.0263501 -0.0468228 1.0348159 10 K 1.2005373 0.0653297 -0.0367517 0.1401174 1.1924683 -0.0904021 0.0263501 -0.0468228 1.0348159 11 K 1.2005373 0.0653297 0.0367517 0.1401174 1.1924683 0.0904021 -0.0263501 0.0468228 1.0348159 12 K 1.2005373 -0.0653297 -0.0367517 -0.1401174 1.1924683 0.0904021 0.0263501 0.0468228 1.0348159 13 K 1.2005373 -0.0653297 0.0367517 -0.1401174 1.1924683 -0.0904021 -0.0263501 -0.0468228 1.0348159 14 K 1.2005373 0.0653297 -0.0367517 0.1401174 1.1924683 -0.0904021 0.0263501 -0.0468228 1.0348159 15 K 1.2005373 -0.0653297 -0.0367517 -0.1401174 1.1924683 0.0904021 0.0263501 0.0468228 1.0348159 16 K 1.2005373 0.0653297 0.0367517 0.1401174 1.1924683 0.0904021 -0.0263501 0.0468228 1.0348159 17 Cd 1.1859017 0.0000000 0.1513659 0.0000000 1.4701800 -0.0000000 0.0257008 0.0000000 2.5198131 18 Cd 1.1859017 0.0000000 0.1513659 0.0000000 1.4701800 -0.0000000 0.0257008 0.0000000 2.5198131 19 Cd 1.1859017 0.0000000 -0.1513659 0.0000000 1.4701800 -0.0000000 -0.0257008 0.0000000 2.5198131 20 Cd 1.1859017 0.0000000 -0.1513659 0.0000000 1.4701800 -0.0000000 -0.0257008 0.0000000 2.5198131 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 8 8 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.57, Number of G-points: 303, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/75) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.094 ( 0.000 0.000 0.000) 0.000 1.608 ( 0.000 0.000 0.000) 0.000 1.950 ( 0.000 0.000 0.000) 0.000 2.113 ( 0.000 0.000 0.000) 0.000 2.137 ( 0.000 0.000 0.000) 0.000 2.221 ( 0.000 0.000 0.000) 0.000 2.502 ( 0.000 0.000 0.000) 0.000 2.554 ( 0.000 0.000 0.000) 0.000 2.746 ( 0.000 0.000 0.000) 0.000 2.774 ( 0.000 0.000 0.000) 0.000 2.798 ( 0.000 0.000 0.000) 0.000 2.870 ( 0.000 0.000 0.000) 0.000 3.152 ( 0.000 0.000 0.000) 0.000 3.302 ( 0.000 0.000 0.000) 0.000 3.307 ( 0.000 0.000 0.000) 0.000 3.371 ( 0.000 0.000 0.000) 0.000 3.700 ( 0.000 0.000 0.000) 0.000 3.744 ( 0.000 0.000 0.000) 0.000 3.963 ( 0.000 0.000 0.000) 0.000 4.132 ( 0.000 0.000 0.000) 0.000 4.159 ( 0.000 0.000 0.000) 0.000 4.220 ( 0.000 0.000 0.000) 0.000 4.267 ( 0.000 0.000 0.000) 0.000 4.388 ( 0.000 0.000 0.000) 0.000 4.666 ( 0.000 0.000 0.000) 0.000 4.903 ( 0.000 0.000 0.000) 0.000 4.957 ( 0.000 0.000 0.000) 0.000 5.017 ( 0.000 0.000 0.000) 0.000 5.119 ( 0.000 0.000 0.000) 0.000 5.520 ( 0.000 0.000 0.000) 0.000 5.582 ( 0.000 0.000 0.000) 0.000 5.605 ( 0.000 0.000 0.000) 0.000 5.720 ( 0.000 0.000 0.000) 0.000 5.934 ( 0.000 0.000 0.000) 0.000 6.158 ( 0.000 0.000 0.000) 0.000 6.296 ( 0.000 0.000 0.000) 0.000 6.310 ( 0.000 0.000 0.000) 0.000 6.480 ( 0.000 0.000 0.000) 0.000 6.694 ( 0.000 0.000 0.000) 0.000 6.884 ( 0.000 0.000 0.000) 0.000 8.176 ( 0.000 0.000 0.000) 0.000 8.701 ( 0.000 0.000 0.000) 0.000 8.986 ( 0.000 0.000 0.000) 0.000 9.406 ( 0.000 0.000 0.000) 0.000 9.436 ( 0.000 0.000 0.000) 0.000 9.948 ( 0.000 0.000 0.000) 0.000 9.964 ( 0.000 0.000 0.000) 0.000 10.161 ( 0.000 0.000 0.000) 0.000 10.332 ( 0.000 0.000 0.000) 0.000 11.035 ( 0.000 0.000 0.000) 0.000 12.108 ( 0.000 0.000 0.000) 0.000 12.413 ( 0.000 0.000 0.000) 0.000 12.416 ( 0.000 0.000 0.000) 0.000 12.478 ( 0.000 0.000 0.000) 0.000 12.680 ( 0.000 0.000 0.000) 0.000 12.825 ( 0.000 0.000 0.000) 0.000 13.004 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/75) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.342 ( 16.857 0.000 0.000) 16.857 0.452 ( 22.267 0.000 0.000) 22.267 0.798 ( 38.463 0.000 0.000) 38.463 1.146 ( -7.255 0.000 0.000) 7.255 1.508 ( -9.630 0.000 0.000) 9.630 1.960 ( 0.121 0.000 0.000) 0.121 2.099 ( -1.166 0.000 0.000) 1.166 2.121 ( -1.408 0.000 0.000) 1.408 2.237 ( 1.625 0.000 0.000) 1.625 2.452 ( -2.764 0.000 0.000) 2.764 2.602 ( 2.385 0.000 0.000) 2.385 2.770 ( -0.487 0.000 0.000) 0.487 2.800 ( 0.019 0.000 0.000) 0.019 2.801 ( 5.275 0.000 0.000) 5.275 2.863 ( -3.744 0.000 0.000) 3.744 3.207 ( 4.985 0.000 0.000) 4.985 3.235 ( -5.655 0.000 0.000) 5.655 3.387 ( 7.749 0.000 0.000) 7.749 3.399 ( 1.154 0.000 0.000) 1.154 3.650 ( -9.117 0.000 0.000) 9.117 3.706 ( 0.295 0.000 0.000) 0.295 3.720 ( -17.339 0.000 0.000) 17.339 4.126 ( -2.983 0.000 0.000) 2.983 4.151 ( 1.441 0.000 0.000) 1.441 4.168 ( -4.366 0.000 0.000) 4.366 4.217 ( -1.193 0.000 0.000) 1.193 4.624 ( 13.862 0.000 0.000) 13.862 4.717 ( 4.526 0.000 0.000) 4.526 4.948 ( 2.624 0.000 0.000) 2.624 4.956 ( -0.450 0.000 0.000) 0.450 5.109 ( 1.397 0.000 0.000) 1.397 5.126 ( 0.707 0.000 0.000) 0.707 5.470 ( -4.064 0.000 0.000) 4.064 5.502 ( -5.249 0.000 0.000) 5.249 5.625 ( 1.819 0.000 0.000) 1.819 5.762 ( 0.845 0.000 0.000) 0.845 5.971 ( 4.266 0.000 0.000) 4.266 6.162 ( 0.130 0.000 0.000) 0.130 6.350 ( 3.894 0.000 0.000) 3.894 6.512 ( 3.117 0.000 0.000) 3.117 6.664 ( -2.976 0.000 0.000) 2.976 6.841 ( -4.135 0.000 0.000) 4.135 7.332 ( 6.545 0.000 0.000) 6.545 8.063 ( -10.513 0.000 0.000) 10.513 9.020 ( 3.294 0.000 0.000) 3.294 9.356 ( -4.664 0.000 0.000) 4.664 9.486 ( 4.512 0.000 0.000) 4.512 9.771 ( -2.766 0.000 0.000) 2.766 9.953 ( 0.444 0.000 0.000) 0.444 9.969 ( 0.356 0.000 0.000) 0.356 10.181 ( 1.817 0.000 0.000) 1.817 10.317 ( -1.443 0.000 0.000) 1.443 12.131 ( 2.217 0.000 0.000) 2.217 12.339 ( -2.744 0.000 0.000) 2.744 12.417 ( 0.707 0.000 0.000) 0.707 12.445 ( 2.435 0.000 0.000) 2.435 12.473 ( -0.500 0.000 0.000) 0.500 12.655 ( -2.453 0.000 0.000) 2.453 12.847 ( 2.046 0.000 0.000) 2.046 12.989 ( -1.396 0.000 0.000) 1.396 ======================= Grid point 2 (3/75) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( 15.387 0.000 0.000) 15.387 0.878 ( 20.206 0.000 0.000) 20.206 0.946 ( -12.430 0.000 0.000) 12.430 1.245 ( -16.252 0.000 0.000) 16.252 1.489 ( 29.240 0.000 0.000) 29.240 1.887 ( -9.988 0.000 0.000) 9.988 2.081 ( -0.301 0.000 0.000) 0.301 2.091 ( -1.243 0.000 0.000) 1.243 2.290 ( 3.919 0.000 0.000) 3.919 2.389 ( -4.677 0.000 0.000) 4.677 2.638 ( 2.511 0.000 0.000) 2.511 2.726 ( -4.887 0.000 0.000) 4.887 2.793 ( -0.580 0.000 0.000) 0.580 2.795 ( -1.338 0.000 0.000) 1.338 2.939 ( 8.017 0.000 0.000) 8.017 3.100 ( -7.709 0.000 0.000) 7.709 3.318 ( 5.254 0.000 0.000) 5.254 3.393 ( -2.015 0.000 0.000) 2.015 3.462 ( -6.039 0.000 0.000) 6.039 3.480 ( -6.268 0.000 0.000) 6.268 3.565 ( 8.717 0.000 0.000) 8.717 3.687 ( -3.049 0.000 0.000) 3.049 4.069 ( -1.787 0.000 0.000) 1.787 4.084 ( -3.190 0.000 0.000) 3.190 4.179 ( 1.254 0.000 0.000) 1.254 4.200 ( -0.874 0.000 0.000) 0.874 4.824 ( 5.636 0.000 0.000) 5.636 4.847 ( 8.064 0.000 0.000) 8.064 4.920 ( -3.501 0.000 0.000) 3.501 4.950 ( -2.547 0.000 0.000) 2.547 5.145 ( 0.923 0.000 0.000) 0.923 5.145 ( 1.260 0.000 0.000) 1.260 5.402 ( -1.717 0.000 0.000) 1.717 5.416 ( -2.898 0.000 0.000) 2.898 5.673 ( 2.901 0.000 0.000) 2.901 5.734 ( -2.836 0.000 0.000) 2.836 6.077 ( 5.106 0.000 0.000) 5.106 6.148 ( -1.923 0.000 0.000) 1.923 6.456 ( 6.270 0.000 0.000) 6.270 6.578 ( -5.515 0.000 0.000) 5.515 6.602 ( 5.823 0.000 0.000) 5.823 6.731 ( -6.537 0.000 0.000) 6.537 7.523 ( 12.348 0.000 0.000) 12.348 7.801 ( -14.621 0.000 0.000) 14.621 9.112 ( 5.781 0.000 0.000) 5.781 9.239 ( -6.552 0.000 0.000) 6.552 9.591 ( 5.582 0.000 0.000) 5.582 9.695 ( -4.658 0.000 0.000) 4.658 9.964 ( 0.569 0.000 0.000) 0.569 9.972 ( -0.150 0.000 0.000) 0.150 10.226 ( 2.586 0.000 0.000) 2.586 10.277 ( -2.394 0.000 0.000) 2.394 12.191 ( 3.679 0.000 0.000) 3.679 12.269 ( -3.955 0.000 0.000) 3.955 12.437 ( 1.129 0.000 0.000) 1.129 12.458 ( -0.946 0.000 0.000) 0.946 12.509 ( 3.861 0.000 0.000) 3.861 12.589 ( -3.925 0.000 0.000) 3.925 12.897 ( 2.778 0.000 0.000) 2.778 12.950 ( -2.427 0.000 0.000) 2.427 ======================= Grid point 5 (4/75) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.467 ( 0.000 22.547 0.000) 22.547 0.484 ( 0.000 23.021 0.000) 23.021 0.827 ( 0.000 40.239 0.000) 40.239 1.201 ( 0.000 9.898 0.000) 9.898 1.609 ( 0.000 0.831 0.000) 0.831 1.784 ( 0.000 -12.046 0.000) 12.046 2.143 ( 0.000 0.602 0.000) 0.602 2.148 ( 0.000 0.131 0.000) 0.131 2.225 ( 0.000 0.453 0.000) 0.453 2.463 ( 0.000 -7.810 0.000) 7.810 2.494 ( 0.000 -0.957 0.000) 0.957 2.716 ( 0.000 -13.855 0.000) 13.855 2.752 ( 0.000 -0.040 0.000) 0.040 2.773 ( 0.000 -0.236 0.000) 0.236 2.774 ( 0.000 -2.121 0.000) 2.121 3.154 ( 0.000 0.292 0.000) 0.292 3.222 ( 0.000 -6.404 0.000) 6.404 3.349 ( 0.000 -2.807 0.000) 2.807 3.370 ( 0.000 -3.058 0.000) 3.058 3.556 ( 0.000 -10.080 0.000) 10.080 3.876 ( 0.000 8.457 0.000) 8.457 4.057 ( 0.000 7.312 0.000) 7.312 4.177 ( 0.000 -1.711 0.000) 1.711 4.186 ( 0.000 5.035 0.000) 5.035 4.264 ( 0.000 -14.953 0.000) 14.953 4.377 ( 0.000 7.272 0.000) 7.272 4.394 ( 0.000 0.726 0.000) 0.726 4.728 ( 0.000 5.805 0.000) 5.805 4.843 ( 0.000 -14.013 0.000) 14.013 4.949 ( 0.000 3.018 0.000) 3.018 5.029 ( 0.000 5.649 0.000) 5.649 5.102 ( 0.000 -1.645 0.000) 1.645 5.532 ( 0.000 -4.571 0.000) 4.571 5.555 ( 0.000 2.408 0.000) 2.408 5.699 ( 0.000 -2.170 0.000) 2.170 5.735 ( 0.000 -1.021 0.000) 1.021 5.878 ( 0.000 -4.390 0.000) 4.390 5.959 ( 0.000 -10.154 0.000) 10.154 6.325 ( 0.000 1.401 0.000) 1.401 6.473 ( 0.000 -0.497 0.000) 0.497 6.565 ( 0.000 16.339 0.000) 16.339 6.802 ( 0.000 9.509 0.000) 9.509 7.674 ( 0.000 -0.509 0.000) 0.509 8.099 ( 0.000 -6.826 0.000) 6.826 8.717 ( 0.000 1.566 0.000) 1.566 8.989 ( 0.000 0.304 0.000) 0.304 9.379 ( 0.000 -3.511 0.000) 3.511 9.390 ( 0.000 -3.684 0.000) 3.684 10.100 ( 0.000 12.107 0.000) 12.107 10.195 ( 0.000 3.227 0.000) 3.227 10.379 ( 0.000 4.708 0.000) 4.708 11.001 ( 0.000 -3.041 0.000) 3.041 11.759 ( 0.000 -22.580 0.000) 22.580 11.975 ( 0.000 -6.873 0.000) 6.873 12.420 ( 0.000 0.849 0.000) 0.849 12.520 ( 0.000 4.008 0.000) 4.008 12.675 ( 0.000 14.204 0.000) 14.204 12.844 ( 0.000 1.409 0.000) 1.409 13.021 ( 0.000 1.636 0.000) 1.636 13.067 ( 0.000 -0.457 0.000) 0.457 ======================= Grid point 6 (5/75) ======================= q-point: ( 0.20 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.568 ( 12.671 15.210 0.000) 19.796 0.594 ( 9.778 18.936 0.000) 21.311 1.159 ( 25.350 26.824 0.000) 36.907 1.197 ( -3.270 7.509 0.000) 8.190 1.499 ( -10.139 0.038 0.000) 10.139 1.806 ( 1.666 -10.791 0.000) 10.919 2.127 ( -1.426 0.566 0.000) 1.534 2.154 ( 0.367 1.797 0.000) 1.834 2.222 ( 0.510 -0.395 0.000) 0.645 2.405 ( -3.146 -5.008 0.000) 5.915 2.545 ( 2.413 -4.257 0.000) 4.893 2.701 ( -2.183 -13.374 0.000) 13.551 2.770 ( -0.180 -0.501 0.000) 0.533 2.772 ( 0.440 -2.366 0.000) 2.407 2.812 ( 4.901 0.393 0.000) 4.917 3.209 ( 4.655 -0.071 0.000) 4.656 3.211 ( -7.464 -3.003 0.000) 8.045 3.297 ( 7.064 -6.868 0.000) 9.853 3.444 ( 1.860 -0.206 0.000) 1.871 3.505 ( -5.124 -8.532 0.000) 9.952 3.767 ( -7.948 1.361 0.000) 8.064 3.791 ( -18.252 5.146 0.000) 18.963 4.136 ( -4.335 -1.416 0.000) 4.560 4.181 ( -1.232 1.424 0.000) 1.883 4.203 ( 1.250 4.629 0.000) 4.795 4.290 ( -3.272 6.137 0.000) 6.954 4.594 ( 9.871 -1.202 0.000) 9.943 4.811 ( 7.011 6.596 0.000) 9.626 4.876 ( 2.269 -12.821 0.000) 13.020 4.934 ( -1.297 -0.450 0.000) 1.373 5.104 ( 4.183 6.466 0.000) 7.702 5.106 ( 0.597 -1.572 0.000) 1.682 5.456 ( -5.056 -4.241 0.000) 6.599 5.522 ( -7.147 0.993 0.000) 7.216 5.661 ( 1.878 2.474 0.000) 3.106 5.747 ( 1.534 -1.436 0.000) 2.101 5.914 ( 4.323 -4.707 0.000) 6.390 6.091 ( 3.627 -9.192 0.000) 9.882 6.378 ( 5.436 2.037 0.000) 5.805 6.502 ( 2.852 -0.624 0.000) 2.919 6.667 ( 4.828 1.722 0.000) 5.126 6.770 ( -3.216 9.257 0.000) 9.800 7.554 ( -4.136 8.621 0.000) 9.562 8.005 ( -8.790 -5.251 0.000) 10.239 9.020 ( 3.269 -0.117 0.000) 3.271 9.058 ( 19.936 -19.096 0.000) 27.606 9.337 ( -4.297 -1.828 0.000) 4.669 9.406 ( 1.548 -6.955 0.000) 7.125 10.104 ( 0.429 11.280 0.000) 11.288 10.187 ( -0.834 3.523 0.000) 3.620 10.376 ( -0.266 5.760 0.000) 5.766 10.693 ( -18.847 18.231 0.000) 26.222 11.778 ( 1.767 -22.203 0.000) 22.273 11.928 ( -2.680 -15.075 0.000) 15.312 12.445 ( 2.383 0.598 0.000) 2.457 12.571 ( 1.881 0.965 0.000) 2.114 12.685 ( 0.982 13.813 0.000) 13.847 12.839 ( -1.635 2.003 0.000) 2.585 12.974 ( -3.911 10.672 0.000) 11.366 13.013 ( -0.769 2.364 0.000) 2.486 ======================= Grid point 7 (6/75) ======================= q-point: ( 0.40 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( 12.286 13.777 0.000) 18.459 0.893 ( 17.768 4.692 0.000) 18.377 1.055 ( -10.107 10.189 0.000) 14.352 1.235 ( -15.764 0.727 0.000) 15.781 1.637 ( 18.726 10.504 0.000) 21.471 1.821 ( -1.626 -5.897 0.000) 6.117 2.109 ( 0.465 2.167 0.000) 2.216 2.145 ( -1.700 4.325 0.000) 4.647 2.259 ( 3.393 -2.199 0.000) 4.043 2.345 ( -3.734 -3.963 0.000) 5.445 2.574 ( 1.136 -5.444 0.000) 5.561 2.630 ( -4.200 -9.649 0.000) 10.523 2.768 ( 0.035 -1.117 0.000) 1.118 2.772 ( -0.292 -1.737 0.000) 1.761 2.937 ( 6.868 -0.224 0.000) 6.871 3.071 ( -6.659 -2.663 0.000) 7.172 3.307 ( 4.299 -1.294 0.000) 4.489 3.386 ( -5.241 -4.176 0.000) 6.701 3.438 ( 2.023 -3.610 0.000) 4.138 3.444 ( -1.407 0.379 0.000) 1.458 3.523 ( -1.782 -1.983 0.000) 2.666 3.631 ( -6.291 -6.758 0.000) 9.232 4.105 ( 0.335 3.323 0.000) 3.340 4.136 ( -2.501 3.762 0.000) 4.517 4.226 ( 1.043 4.612 0.000) 4.729 4.247 ( -1.260 4.922 0.000) 5.081 4.756 ( 6.812 -2.443 0.000) 7.237 4.870 ( -4.405 -2.579 0.000) 5.104 4.924 ( 2.764 0.883 0.000) 2.902 4.926 ( 1.599 -7.172 0.000) 7.348 5.139 ( 2.691 2.109 0.000) 3.419 5.165 ( 1.225 6.087 0.000) 6.209 5.376 ( -2.404 -4.021 0.000) 4.684 5.392 ( -4.408 -2.155 0.000) 4.907 5.707 ( 1.931 2.326 0.000) 3.023 5.740 ( -1.393 0.445 0.000) 1.463 6.024 ( 5.350 -4.801 0.000) 7.188 6.099 ( -1.957 -5.270 0.000) 5.621 6.522 ( 8.147 4.932 0.000) 9.524 6.582 ( 4.834 -1.185 0.000) 4.977 6.674 ( -6.412 8.172 0.000) 10.388 6.674 ( -3.292 -1.529 0.000) 3.630 7.590 ( 7.023 4.632 0.000) 8.412 7.789 ( -11.665 -1.232 0.000) 11.730 9.108 ( 5.477 -0.386 0.000) 5.491 9.228 ( -6.181 -1.072 0.000) 6.273 9.336 ( 8.259 -18.590 0.000) 20.342 9.420 ( -0.946 -12.091 0.000) 12.128 10.121 ( 1.360 9.428 0.000) 9.526 10.158 ( -2.037 6.086 0.000) 6.418 10.378 ( 0.930 9.446 0.000) 9.492 10.442 ( -6.672 16.724 0.000) 18.005 11.824 ( 2.650 -21.296 0.000) 21.460 11.877 ( -2.597 -19.736 0.000) 19.906 12.506 ( 3.485 -0.029 0.000) 3.485 12.566 ( -2.033 -0.212 0.000) 2.044 12.715 ( 2.099 12.580 0.000) 12.754 12.772 ( -3.693 9.293 0.000) 10.000 12.963 ( 1.259 7.620 0.000) 7.723 12.992 ( -1.352 4.395 0.000) 4.599 ======================= Grid point 10 (7/75) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( 0.000 15.820 0.000) 15.820 0.896 ( 0.000 19.715 0.000) 19.715 1.450 ( 0.000 13.737 0.000) 13.737 1.595 ( 0.000 -3.461 0.000) 3.461 1.599 ( 0.000 35.364 0.000) 35.364 1.687 ( 0.000 7.930 0.000) 7.930 2.050 ( 0.000 -10.089 0.000) 10.089 2.146 ( 0.000 -2.047 0.000) 2.047 2.246 ( 0.000 2.080 0.000) 2.080 2.333 ( 0.000 -3.257 0.000) 3.257 2.385 ( 0.000 -16.278 0.000) 16.278 2.452 ( 0.000 -3.449 0.000) 3.449 2.724 ( 0.000 -2.809 0.000) 2.809 2.735 ( 0.000 -1.225 0.000) 1.225 2.750 ( 0.000 -2.627 0.000) 2.627 3.087 ( 0.000 -6.560 0.000) 6.560 3.169 ( 0.000 1.249 0.000) 1.249 3.213 ( 0.000 -11.405 0.000) 11.405 3.296 ( 0.000 -3.747 0.000) 3.747 3.340 ( 0.000 -10.653 0.000) 10.653 3.906 ( 0.000 -18.947 0.000) 18.947 4.041 ( 0.000 7.151 0.000) 7.151 4.117 ( 0.000 -5.920 0.000) 5.920 4.184 ( 0.000 4.211 0.000) 4.211 4.320 ( 0.000 7.598 0.000) 7.598 4.420 ( 0.000 1.839 0.000) 1.839 4.519 ( 0.000 6.218 0.000) 6.218 4.559 ( 0.000 -11.589 0.000) 11.589 4.882 ( 0.000 8.904 0.000) 8.904 4.990 ( 0.000 0.861 0.000) 0.861 5.052 ( 0.000 -3.353 0.000) 3.353 5.155 ( 0.000 5.892 0.000) 5.892 5.440 ( 0.000 -3.053 0.000) 3.053 5.590 ( 0.000 0.704 0.000) 0.704 5.636 ( 0.000 -3.782 0.000) 3.782 5.698 ( 0.000 -2.681 0.000) 2.681 5.792 ( 0.000 -6.322 0.000) 6.322 5.798 ( 0.000 -3.106 0.000) 3.106 6.361 ( 0.000 1.995 0.000) 1.995 6.466 ( 0.000 -0.299 0.000) 0.299 6.875 ( 0.000 13.866 0.000) 13.866 7.019 ( 0.000 10.729 0.000) 10.729 7.663 ( 0.000 -0.440 0.000) 0.440 7.940 ( 0.000 -8.096 0.000) 8.096 8.759 ( 0.000 2.446 0.000) 2.446 9.003 ( 0.000 1.224 0.000) 1.224 9.238 ( 0.000 -9.191 0.000) 9.191 9.322 ( 0.000 -3.934 0.000) 3.934 10.283 ( 0.000 5.285 0.000) 5.285 10.357 ( 0.000 10.323 0.000) 10.323 10.537 ( 0.000 12.075 0.000) 12.075 10.931 ( 0.000 -3.389 0.000) 3.389 11.336 ( 0.000 -18.190 0.000) 18.190 11.784 ( 0.000 -11.794 0.000) 11.794 12.456 ( 0.000 3.012 0.000) 3.012 12.627 ( 0.000 6.261 0.000) 6.261 12.853 ( 0.000 -1.168 0.000) 1.168 12.885 ( 0.000 6.359 0.000) 6.359 13.062 ( 0.000 2.158 0.000) 2.158 13.067 ( 0.000 0.760 0.000) 0.760 ======================= Grid point 11 (8/75) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( 5.412 19.550 0.000) 20.286 0.961 ( 6.668 15.165 0.000) 16.566 1.424 ( -3.092 13.483 0.000) 13.833 1.546 ( -7.552 4.091 0.000) 8.589 1.645 ( -0.136 -1.177 0.000) 1.184 1.702 ( 7.409 23.454 0.000) 24.596 2.110 ( 4.762 -6.749 0.000) 8.260 2.140 ( 0.449 0.544 0.000) 0.705 2.230 ( -1.005 1.130 0.000) 1.513 2.302 ( -2.512 -2.812 0.000) 3.771 2.394 ( 0.686 -14.051 0.000) 14.068 2.458 ( 0.258 -4.665 0.000) 4.672 2.721 ( 0.293 -2.479 0.000) 2.496 2.748 ( -0.164 -2.450 0.000) 2.455 2.800 ( 5.325 -1.669 0.000) 5.580 3.120 ( -6.589 -5.670 0.000) 8.693 3.123 ( 3.543 -7.635 0.000) 8.417 3.242 ( 6.487 1.259 0.000) 6.608 3.258 ( -1.995 -12.790 0.000) 12.945 3.415 ( 3.504 -5.745 0.000) 6.729 3.701 ( -12.994 -6.980 0.000) 14.750 3.867 ( -17.825 1.027 0.000) 17.855 4.119 ( 2.993 0.560 0.000) 3.045 4.209 ( -0.218 0.870 0.000) 0.897 4.327 ( 0.823 7.059 0.000) 7.107 4.424 ( -2.259 6.128 0.000) 6.531 4.583 ( 6.751 -0.147 0.000) 6.752 4.618 ( 5.299 -10.152 0.000) 11.452 4.915 ( 0.563 2.531 0.000) 2.593 4.923 ( -4.103 -0.730 0.000) 4.167 5.082 ( 3.927 -0.537 0.000) 3.963 5.248 ( 5.025 5.949 0.000) 7.787 5.379 ( -3.670 -1.369 0.000) 3.917 5.495 ( -8.392 -2.391 0.000) 8.726 5.693 ( 2.427 0.482 0.000) 2.475 5.704 ( 3.775 -2.898 0.000) 4.759 5.821 ( 3.011 -3.724 0.000) 4.789 5.897 ( 5.502 -8.113 0.000) 9.803 6.423 ( 6.188 2.277 0.000) 6.593 6.496 ( 2.994 -0.006 0.000) 2.994 6.841 ( -3.429 11.010 0.000) 11.532 6.977 ( -4.248 9.996 0.000) 10.861 7.644 ( -0.920 1.861 0.000) 2.076 7.881 ( -5.490 -6.413 0.000) 8.442 8.868 ( 9.218 -3.306 0.000) 9.793 9.029 ( 2.594 0.808 0.000) 2.717 9.231 ( -0.988 -9.794 0.000) 9.844 9.286 ( -3.381 -3.354 0.000) 4.763 10.281 ( -0.209 5.537 0.000) 5.541 10.335 ( -1.955 9.954 0.000) 10.144 10.542 ( 0.737 10.273 0.000) 10.299 10.840 ( -7.908 0.804 0.000) 7.949 11.378 ( 3.834 -16.131 0.000) 16.580 11.703 ( -6.288 -9.664 0.000) 11.530 12.475 ( 1.757 2.642 0.000) 3.173 12.614 ( -1.273 3.693 0.000) 3.907 12.848 ( -0.414 -1.061 0.000) 1.139 12.871 ( -1.106 4.707 0.000) 4.835 13.079 ( 1.497 3.726 0.000) 4.015 13.096 ( 1.988 3.181 0.000) 3.751 ======================= Grid point 12 (9/75) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( 10.400 15.231 0.000) 18.443 1.130 ( 9.538 14.169 0.000) 17.080 1.313 ( -7.847 14.129 0.000) 16.162 1.339 ( -11.683 10.054 0.000) 15.413 1.687 ( 3.568 -5.513 0.000) 6.567 1.758 ( -2.171 0.015 0.000) 2.171 2.194 ( 2.553 5.023 0.000) 5.635 2.196 ( 2.698 -0.205 0.000) 2.706 2.234 ( 2.029 0.526 0.000) 2.096 2.259 ( -1.263 -3.215 0.000) 3.454 2.410 ( 1.313 -10.099 0.000) 10.184 2.448 ( -1.547 -6.650 0.000) 6.828 2.732 ( 0.720 -2.281 0.000) 2.392 2.744 ( -0.353 -1.990 0.000) 2.021 2.919 ( 5.829 -2.331 0.000) 6.278 3.013 ( -4.071 -2.842 0.000) 4.965 3.217 ( 4.982 -8.366 0.000) 9.737 3.238 ( 1.026 -9.026 0.000) 9.084 3.379 ( 5.786 0.497 0.000) 5.807 3.428 ( -2.974 -9.303 0.000) 9.767 3.496 ( -5.946 1.615 0.000) 6.162 3.522 ( -13.672 1.135 0.000) 13.719 4.158 ( 1.498 0.874 0.000) 1.734 4.189 ( -1.513 0.970 0.000) 1.797 4.350 ( 1.332 7.027 0.000) 7.152 4.379 ( -1.759 7.150 0.000) 7.363 4.716 ( 5.936 -2.120 0.000) 6.304 4.738 ( 5.720 -7.731 0.000) 9.617 4.841 ( -4.005 -1.876 0.000) 4.423 4.869 ( -4.354 -3.925 0.000) 5.862 5.186 ( 5.535 -3.482 0.000) 6.539 5.290 ( -2.585 -3.978 0.000) 4.745 5.337 ( -0.614 5.054 0.000) 5.091 5.347 ( -3.600 6.911 0.000) 7.792 5.737 ( 1.255 0.435 0.000) 1.329 5.742 ( 0.642 -0.515 0.000) 0.823 5.909 ( 4.333 -5.788 0.000) 7.230 5.955 ( 0.137 -7.577 0.000) 7.578 6.578 ( 4.710 0.818 0.000) 4.781 6.583 ( 7.552 1.875 0.000) 7.781 6.760 ( -2.828 7.587 0.000) 8.097 6.850 ( -8.121 8.127 0.000) 11.489 7.659 ( 2.782 2.015 0.000) 3.435 7.754 ( -6.297 -2.057 0.000) 6.624 9.055 ( 8.293 -9.086 0.000) 12.302 9.103 ( 4.645 -0.690 0.000) 4.696 9.181 ( -4.409 -9.487 0.000) 10.462 9.201 ( -4.757 -3.143 0.000) 5.701 10.279 ( 0.210 6.490 0.000) 6.493 10.296 ( -1.561 8.270 0.000) 8.416 10.578 ( 3.192 8.189 0.000) 8.789 10.679 ( -7.038 6.023 0.000) 9.264 11.472 ( 5.252 -12.594 0.000) 13.645 11.581 ( -5.702 -10.010 0.000) 11.520 12.522 ( 2.770 1.877 0.000) 3.346 12.576 ( -2.492 1.739 0.000) 3.039 12.842 ( -0.037 0.156 0.000) 0.160 12.850 ( -0.830 2.158 0.000) 2.312 13.109 ( 1.240 5.700 0.000) 5.833 13.120 ( 0.280 5.753 0.000) 5.759 ======================= Grid point 15 (10/75) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( 0.000 10.539 0.000) 10.539 1.249 ( 0.000 14.953 0.000) 14.953 1.700 ( 0.000 10.511 0.000) 10.511 1.702 ( 0.000 8.400 0.000) 8.400 1.812 ( 0.000 -11.711 0.000) 11.711 1.898 ( 0.000 -17.158 0.000) 17.158 1.936 ( 0.000 16.100 0.000) 16.100 2.129 ( 0.000 11.945 0.000) 11.945 2.261 ( 0.000 1.038 0.000) 1.038 2.307 ( 0.000 -0.376 0.000) 0.376 2.365 ( 0.000 -4.564 0.000) 4.564 2.395 ( 0.000 16.372 0.000) 16.372 2.630 ( 0.000 -10.238 0.000) 10.238 2.657 ( 0.000 -2.727 0.000) 2.727 2.726 ( 0.000 -0.251 0.000) 0.251 2.939 ( 0.000 -14.462 0.000) 14.462 2.973 ( 0.000 -4.122 0.000) 4.122 3.112 ( 0.000 -11.141 0.000) 11.141 3.208 ( 0.000 2.719 0.000) 2.719 3.254 ( 0.000 0.917 0.000) 0.917 3.567 ( 0.000 -12.808 0.000) 12.808 3.892 ( 0.000 -16.262 0.000) 16.262 4.144 ( 0.000 3.176 0.000) 3.176 4.220 ( 0.000 -0.259 0.000) 0.259 4.435 ( 0.000 -1.113 0.000) 1.113 4.454 ( 0.000 0.979 0.000) 0.979 4.474 ( 0.000 7.192 0.000) 7.192 4.608 ( 0.000 2.107 0.000) 2.107 4.986 ( 0.000 -2.385 0.000) 2.385 4.988 ( 0.000 -0.802 0.000) 0.802 5.065 ( 0.000 8.728 0.000) 8.728 5.238 ( 0.000 1.806 0.000) 1.806 5.442 ( 0.000 2.985 0.000) 2.985 5.564 ( 0.000 -2.961 0.000) 2.961 5.568 ( 0.000 -2.693 0.000) 2.693 5.627 ( 0.000 -4.298 0.000) 4.298 5.719 ( 0.000 -0.828 0.000) 0.828 5.753 ( 0.000 -1.584 0.000) 1.584 6.400 ( 0.000 1.840 0.000) 1.840 6.456 ( 0.000 -0.765 0.000) 0.765 7.110 ( 0.000 9.125 0.000) 9.125 7.193 ( 0.000 5.742 0.000) 5.742 7.664 ( 0.000 0.735 0.000) 0.735 7.794 ( 0.000 -6.092 0.000) 6.092 8.811 ( 0.000 2.760 0.000) 2.760 9.041 ( 0.000 -9.432 0.000) 9.432 9.047 ( 0.000 3.289 0.000) 3.289 9.231 ( 0.000 -4.891 0.000) 4.891 10.393 ( 0.000 5.215 0.000) 5.215 10.478 ( 0.000 2.521 0.000) 2.521 10.847 ( 0.000 16.995 0.000) 16.995 10.884 ( 0.000 -0.869 0.000) 0.869 11.048 ( 0.000 -10.361 0.000) 10.361 11.511 ( 0.000 -14.977 0.000) 14.977 12.545 ( 0.000 5.629 0.000) 5.629 12.759 ( 0.000 6.571 0.000) 6.571 12.789 ( 0.000 -4.866 0.000) 4.866 12.938 ( 0.000 -0.617 0.000) 0.617 13.094 ( 0.000 1.434 0.000) 1.434 13.099 ( 0.000 1.372 0.000) 1.372 ======================= Grid point 16 (11/75) ======================= q-point: ( 0.20 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( 4.525 8.281 0.000) 9.437 1.298 ( 4.548 14.459 0.000) 15.157 1.685 ( -1.585 10.027 0.000) 10.151 1.685 ( -2.449 11.007 0.000) 11.277 1.738 ( -5.405 1.107 0.000) 5.517 1.794 ( -7.686 -13.578 0.000) 15.602 2.012 ( 6.141 4.224 0.000) 7.454 2.195 ( 4.636 3.965 0.000) 6.100 2.245 ( -1.224 1.171 0.000) 1.694 2.283 ( -1.917 -0.132 0.000) 1.921 2.362 ( -0.549 -4.254 0.000) 4.289 2.390 ( -1.580 12.056 0.000) 12.159 2.631 ( 0.618 -10.145 0.000) 10.164 2.657 ( 0.054 -3.860 0.000) 3.861 2.763 ( 3.143 -1.689 0.000) 3.568 2.972 ( 2.941 -12.245 0.000) 12.593 2.988 ( 2.043 -4.774 0.000) 5.193 3.016 ( -5.581 -6.631 0.000) 8.667 3.289 ( 6.940 3.303 0.000) 7.686 3.308 ( 2.011 -0.792 0.000) 2.161 3.554 ( -0.731 -6.977 0.000) 7.015 3.781 ( -10.165 -10.031 0.000) 14.282 4.135 ( -0.550 1.061 0.000) 1.195 4.206 ( -1.327 -1.115 0.000) 1.733 4.452 ( 1.491 3.809 0.000) 4.091 4.495 ( 2.488 0.640 0.000) 2.569 4.522 ( 4.571 1.118 0.000) 4.705 4.595 ( 0.382 1.268 0.000) 1.325 4.907 ( -5.479 -0.799 0.000) 5.537 4.914 ( -4.771 -1.451 0.000) 4.986 5.097 ( -0.125 2.565 0.000) 2.568 5.280 ( -1.740 -3.068 0.000) 3.527 5.432 ( 1.863 5.137 0.000) 5.464 5.486 ( -0.999 1.755 0.000) 2.020 5.643 ( 4.833 -2.559 0.000) 5.469 5.682 ( 2.204 -1.628 0.000) 2.741 5.770 ( 1.852 -1.662 0.000) 2.488 5.777 ( 4.129 -3.770 0.000) 5.591 6.462 ( 6.093 1.592 0.000) 6.297 6.496 ( 3.947 -0.154 0.000) 3.950 7.040 ( -6.449 8.168 0.000) 10.407 7.133 ( -6.014 4.708 0.000) 7.637 7.667 ( 0.354 0.941 0.000) 1.005 7.766 ( -2.458 -4.659 0.000) 5.268 8.850 ( 3.553 0.789 0.000) 3.640 9.034 ( -0.772 -8.843 0.000) 8.876 9.061 ( 1.373 2.465 0.000) 2.821 9.210 ( -2.069 -4.117 0.000) 4.607 10.396 ( 0.322 5.449 0.000) 5.459 10.473 ( -0.663 3.514 0.000) 3.576 10.743 ( -6.204 7.805 0.000) 9.971 10.826 ( -5.101 -1.051 0.000) 5.208 11.171 ( 8.342 -3.223 0.000) 8.943 11.492 ( -1.966 -11.412 0.000) 11.581 12.556 ( 1.107 5.307 0.000) 5.421 12.712 ( -3.611 5.216 0.000) 6.344 12.794 ( 0.353 -3.895 0.000) 3.911 12.899 ( -3.002 -1.390 0.000) 3.308 13.140 ( 3.006 1.954 0.000) 3.585 13.141 ( 3.510 1.538 0.000) 3.832 ======================= Grid point 17 (12/75) ======================= q-point: ( 0.40 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( 7.824 3.068 0.000) 8.404 1.394 ( 2.654 8.741 0.000) 9.135 1.558 ( -6.514 7.929 0.000) 10.261 1.598 ( -6.195 12.203 0.000) 13.685 1.684 ( -0.011 4.794 0.000) 4.794 1.705 ( -1.916 -0.311 0.000) 1.941 2.155 ( 7.735 -0.145 0.000) 7.737 2.229 ( -0.091 0.532 0.000) 0.539 2.247 ( -1.426 0.595 0.000) 1.545 2.278 ( 3.131 -0.903 0.000) 3.259 2.307 ( -5.946 2.528 0.000) 6.461 2.336 ( -2.070 -3.578 0.000) 4.134 2.652 ( 0.877 -7.857 0.000) 7.905 2.659 ( 0.019 -5.682 0.000) 5.682 2.830 ( 3.399 -5.791 0.000) 6.715 2.903 ( -4.263 -8.758 0.000) 9.740 3.055 ( 3.840 -5.798 0.000) 6.954 3.074 ( 3.622 -6.230 0.000) 7.207 3.334 ( 3.506 2.670 0.000) 4.407 3.426 ( 4.507 3.169 0.000) 5.510 3.535 ( -2.000 0.967 0.000) 2.222 3.543 ( -11.021 0.007 0.000) 11.021 4.137 ( 0.991 -1.948 0.000) 2.186 4.171 ( -2.046 -2.397 0.000) 3.152 4.484 ( 1.419 5.759 0.000) 5.931 4.505 ( -0.695 4.885 0.000) 4.934 4.632 ( 5.509 -3.170 0.000) 6.356 4.656 ( 3.697 -3.607 0.000) 5.165 4.811 ( -3.830 -0.976 0.000) 3.952 4.815 ( -4.592 -1.369 0.000) 4.792 5.084 ( 0.754 -3.737 0.000) 3.812 5.161 ( -6.627 -6.283 0.000) 9.132 5.494 ( 2.712 8.041 0.000) 8.486 5.513 ( 0.872 7.366 0.000) 7.418 5.711 ( 2.026 -2.477 0.000) 3.200 5.720 ( 1.169 -2.196 0.000) 2.488 5.818 ( 2.224 -2.946 0.000) 3.692 5.832 ( 1.077 -4.243 0.000) 4.377 6.603 ( 5.878 1.294 0.000) 6.019 6.614 ( 6.893 1.057 0.000) 6.974 6.901 ( -4.997 5.791 0.000) 7.649 6.969 ( -9.193 3.304 0.000) 9.768 7.681 ( 1.119 0.477 0.000) 1.216 7.715 ( -2.309 -1.639 0.000) 2.832 8.932 ( 4.228 -3.266 0.000) 5.343 9.002 ( -2.577 -6.829 0.000) 7.299 9.100 ( 2.530 0.365 0.000) 2.556 9.157 ( -2.972 -2.120 0.000) 3.650 10.410 ( 1.240 6.008 0.000) 6.134 10.445 ( -1.973 5.792 0.000) 6.119 10.673 ( -0.295 1.800 0.000) 1.824 10.721 ( -4.505 -0.530 0.000) 4.536 11.324 ( 6.657 -2.642 0.000) 7.162 11.431 ( -4.153 -5.820 0.000) 7.149 12.589 ( 2.182 4.666 0.000) 5.151 12.642 ( -3.156 4.489 0.000) 5.487 12.808 ( 1.148 -3.290 0.000) 3.484 12.843 ( -2.373 -2.466 0.000) 3.422 13.190 ( 1.610 2.347 0.000) 2.846 13.194 ( 1.326 1.998 0.000) 2.398 ======================= Grid point 20 (13/75) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( 0.000 -10.992 0.000) 10.992 1.385 ( 0.000 10.992 0.000) 10.992 1.597 ( 0.000 -4.922 0.000) 4.922 1.597 ( 0.000 4.922 0.000) 4.922 1.856 ( 0.000 -0.976 0.000) 0.976 1.856 ( 0.000 0.976 0.000) 0.976 2.221 ( 0.000 -2.448 0.000) 2.448 2.221 ( 0.000 2.448 0.000) 2.448 2.293 ( 0.000 -1.311 0.000) 1.311 2.293 ( 0.000 1.311 0.000) 1.311 2.353 ( 0.000 -11.607 0.000) 11.607 2.353 ( 0.000 11.607 0.000) 11.607 2.675 ( 0.000 -6.861 0.000) 6.861 2.675 ( 0.000 6.861 0.000) 6.861 2.691 ( 0.000 -7.820 0.000) 7.820 2.691 ( 0.000 7.820 0.000) 7.820 2.957 ( 0.000 -3.323 0.000) 3.323 2.957 ( 0.000 3.323 0.000) 3.323 3.276 ( 0.000 -3.087 0.000) 3.087 3.276 ( 0.000 3.087 0.000) 3.087 3.543 ( 0.000 -13.785 0.000) 13.785 3.543 ( 0.000 13.785 0.000) 13.785 4.193 ( 0.000 -2.019 0.000) 2.019 4.193 ( 0.000 2.019 0.000) 2.019 4.450 ( 0.000 -1.199 0.000) 1.199 4.450 ( 0.000 1.199 0.000) 1.199 4.590 ( 0.000 -3.776 0.000) 3.776 4.590 ( 0.000 3.776 0.000) 3.776 4.970 ( 0.000 -0.550 0.000) 0.550 4.970 ( 0.000 0.550 0.000) 0.550 5.209 ( 0.000 -4.842 0.000) 4.842 5.209 ( 0.000 4.842 0.000) 4.842 5.530 ( 0.000 -5.085 0.000) 5.085 5.530 ( 0.000 5.085 0.000) 5.085 5.531 ( 0.000 -0.097 0.000) 0.097 5.531 ( 0.000 0.097 0.000) 0.097 5.728 ( 0.000 -1.008 0.000) 1.008 5.728 ( 0.000 1.008 0.000) 1.008 6.434 ( 0.000 -1.437 0.000) 1.437 6.434 ( 0.000 1.437 0.000) 1.437 7.229 ( 0.000 -2.291 0.000) 2.291 7.229 ( 0.000 2.291 0.000) 2.291 7.701 ( 0.000 -3.137 0.000) 3.137 7.701 ( 0.000 3.137 0.000) 3.137 8.888 ( 0.000 -5.451 0.000) 5.451 8.888 ( 0.000 5.451 0.000) 5.451 9.131 ( 0.000 -4.831 0.000) 4.831 9.131 ( 0.000 4.831 0.000) 4.831 10.475 ( 0.000 -2.480 0.000) 2.480 10.475 ( 0.000 2.480 0.000) 2.480 10.910 ( 0.000 -3.748 0.000) 3.748 10.910 ( 0.000 3.748 0.000) 3.748 11.190 ( 0.000 -16.714 0.000) 16.714 11.190 ( 0.000 16.714 0.000) 16.714 12.671 ( 0.000 -6.492 0.000) 6.492 12.671 ( 0.000 6.492 0.000) 6.492 12.878 ( 0.000 -4.872 0.000) 4.872 12.878 ( 0.000 4.872 0.000) 4.872 13.112 ( 0.000 -0.191 0.000) 0.191 13.112 ( 0.000 0.191 0.000) 0.191 ======================= Grid point 22 (14/75) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( -0.122 -10.882 0.000) 10.883 1.388 ( -0.122 10.882 0.000) 10.883 1.620 ( 2.125 -5.997 0.000) 6.362 1.620 ( 2.125 5.997 0.000) 6.362 1.818 ( -2.962 -0.001 0.000) 2.962 1.818 ( -2.962 0.001 0.000) 2.962 2.235 ( 0.893 -3.142 0.000) 3.266 2.235 ( 0.893 3.142 0.000) 3.266 2.269 ( -1.615 -0.373 0.000) 1.658 2.269 ( -1.615 0.373 0.000) 1.658 2.352 ( -0.487 -9.666 0.000) 9.679 2.352 ( -0.487 9.666 0.000) 9.679 2.584 ( -3.977 -2.715 0.000) 4.816 2.584 ( -3.977 2.715 0.000) 4.816 2.765 ( 1.767 -3.772 0.000) 4.165 2.765 ( 1.767 3.772 0.000) 4.165 2.950 ( 1.306 -0.097 0.000) 1.310 2.950 ( 1.306 0.097 0.000) 1.310 3.363 ( 6.564 -0.457 0.000) 6.580 3.363 ( 6.564 0.457 0.000) 6.580 3.525 ( -1.411 -9.867 0.000) 9.967 3.525 ( -1.411 9.867 0.000) 9.967 4.170 ( -2.165 -2.108 0.000) 3.021 4.170 ( -2.165 2.108 0.000) 3.021 4.486 ( 3.448 -0.872 0.000) 3.556 4.486 ( 3.448 0.872 0.000) 3.556 4.588 ( -0.038 -2.480 0.000) 2.481 4.588 ( -0.038 2.480 0.000) 2.481 4.897 ( -5.255 -0.000 0.000) 5.255 4.897 ( -5.255 0.000 0.000) 5.255 5.183 ( -5.046 -4.387 0.000) 6.687 5.183 ( -5.046 4.387 0.000) 6.687 5.508 ( 4.461 -0.471 0.000) 4.485 5.508 ( 4.461 0.471 0.000) 4.485 5.632 ( 3.273 -0.892 0.000) 3.392 5.632 ( 3.273 0.892 0.000) 3.392 5.748 ( 2.085 -0.023 0.000) 2.085 5.748 ( 2.085 0.023 0.000) 2.085 6.487 ( 5.197 -0.412 0.000) 5.214 6.487 ( 5.197 0.412 0.000) 5.214 7.153 ( -7.222 -2.322 0.000) 7.586 7.153 ( -7.222 2.322 0.000) 7.586 7.697 ( -0.337 -2.120 0.000) 2.147 7.697 ( -0.337 2.120 0.000) 2.147 8.899 ( 0.954 -4.266 0.000) 4.372 8.899 ( 0.954 4.266 0.000) 4.372 9.127 ( -0.400 -3.700 0.000) 3.722 9.127 ( -0.400 3.700 0.000) 3.722 10.480 ( 0.501 -1.130 0.000) 1.236 10.480 ( 0.501 1.130 0.000) 1.236 10.813 ( -7.077 -0.027 0.000) 7.077 10.813 ( -7.077 0.027 0.000) 7.077 11.262 ( 4.960 -8.390 0.000) 9.746 11.262 ( 4.960 8.390 0.000) 9.746 12.675 ( 0.448 -5.828 0.000) 5.845 12.675 ( 0.448 5.828 0.000) 5.845 12.832 ( -3.530 -4.776 0.000) 5.939 12.832 ( -3.530 4.776 0.000) 5.939 13.158 ( 3.428 -0.002 0.000) 3.428 13.158 ( 3.428 0.002 0.000) 3.428 ======================= Grid point 24 (15/75) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( -0.960 -5.077 0.000) 5.167 1.372 ( -0.960 5.077 0.000) 5.167 1.663 ( 1.487 -3.263 0.000) 3.586 1.663 ( 1.487 3.263 0.000) 3.586 1.775 ( -0.985 -0.552 0.000) 1.129 1.775 ( -0.985 0.552 0.000) 1.129 2.219 ( -1.251 -1.150 0.000) 1.699 2.219 ( -1.251 1.150 0.000) 1.699 2.281 ( 1.878 -0.108 0.000) 1.881 2.281 ( 1.878 0.108 0.000) 1.881 2.326 ( -1.919 -3.173 0.000) 3.708 2.326 ( -1.919 3.173 0.000) 3.708 2.534 ( -1.126 -2.397 0.000) 2.648 2.534 ( -1.126 2.397 0.000) 2.648 2.766 ( -0.528 -1.961 0.000) 2.031 2.766 ( -0.528 1.961 0.000) 2.031 3.007 ( 2.555 -0.155 0.000) 2.560 3.007 ( 2.555 0.155 0.000) 2.560 3.443 ( 0.372 -3.181 0.000) 3.203 3.443 ( 0.372 3.181 0.000) 3.203 3.527 ( 1.954 -0.122 0.000) 1.958 3.527 ( 1.954 0.122 0.000) 1.958 4.125 ( -1.633 -1.026 0.000) 1.929 4.125 ( -1.633 1.026 0.000) 1.929 4.567 ( 3.583 -0.124 0.000) 3.585 4.567 ( 3.583 0.124 0.000) 3.585 4.591 ( 0.245 -0.825 0.000) 0.860 4.591 ( 0.245 0.825 0.000) 0.860 4.803 ( -3.504 -0.002 0.000) 3.504 4.803 ( -3.504 0.002 0.000) 3.504 5.070 ( -4.021 -2.140 0.000) 4.555 5.070 ( -4.021 2.140 0.000) 4.555 5.612 ( 3.653 -0.065 0.000) 3.653 5.612 ( 3.653 0.065 0.000) 3.653 5.663 ( 0.468 -0.171 0.000) 0.498 5.663 ( 0.468 0.171 0.000) 0.498 5.789 ( 1.311 -0.005 0.000) 1.311 5.789 ( 1.311 0.005 0.000) 1.311 6.621 ( 6.771 -0.095 0.000) 6.772 6.621 ( 6.771 0.095 0.000) 6.772 6.981 ( -7.994 -1.501 0.000) 8.134 6.981 ( -7.994 1.501 0.000) 8.134 7.691 ( -0.197 -0.621 0.000) 0.651 7.691 ( -0.197 0.621 0.000) 0.651 8.916 ( 0.579 -1.540 0.000) 1.645 8.916 ( 0.579 1.540 0.000) 1.645 9.119 ( -0.257 -1.281 0.000) 1.307 9.119 ( -0.257 1.281 0.000) 1.307 10.494 ( 0.627 -0.431 0.000) 0.761 10.494 ( 0.627 0.431 0.000) 0.761 10.696 ( -3.616 -0.209 0.000) 3.622 10.696 ( -3.616 0.209 0.000) 3.622 11.336 ( 2.024 -2.432 0.000) 3.164 11.336 ( 2.024 2.432 0.000) 3.164 12.688 ( 0.685 -3.354 0.000) 3.424 12.688 ( 0.685 3.354 0.000) 3.424 12.771 ( -2.059 -3.099 0.000) 3.721 12.771 ( -2.059 3.099 0.000) 3.721 13.212 ( 1.571 -0.005 0.000) 1.571 13.212 ( 1.571 0.005 0.000) 1.571 ======================= Grid point 45 (16/75) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.337 ( 0.000 0.000 15.724) 15.724 0.486 ( 0.000 0.000 23.689) 23.689 1.000 ( 0.000 0.000 49.272) 49.272 1.345 ( 0.000 0.000 21.814) 21.814 1.626 ( 0.000 0.000 0.739) 0.739 2.016 ( 0.000 0.000 -9.556) 9.556 2.102 ( 0.000 0.000 -2.407) 2.407 2.127 ( 0.000 0.000 1.070) 1.070 2.332 ( 0.000 0.000 7.418) 7.418 2.532 ( 0.000 0.000 0.275) 0.275 2.667 ( 0.000 0.000 -4.822) 4.822 2.682 ( 0.000 0.000 -2.010) 2.010 2.801 ( 0.000 0.000 5.075) 5.075 2.939 ( 0.000 0.000 6.323) 6.323 2.991 ( 0.000 0.000 5.888) 5.888 3.172 ( 0.000 0.000 1.746) 1.746 3.273 ( 0.000 0.000 -2.651) 2.651 3.336 ( 0.000 0.000 3.024) 3.024 3.392 ( 0.000 0.000 1.818) 1.818 3.654 ( 0.000 0.000 -4.303) 4.303 3.764 ( 0.000 0.000 1.551) 1.551 3.913 ( 0.000 0.000 -4.463) 4.463 4.109 ( 0.000 0.000 -9.942) 9.942 4.120 ( 0.000 0.000 -3.706) 3.706 4.252 ( 0.000 0.000 8.593) 8.593 4.274 ( 0.000 0.000 0.274) 0.274 4.399 ( 0.000 0.000 0.577) 0.577 4.662 ( 0.000 0.000 -0.741) 0.741 4.870 ( 0.000 0.000 -3.010) 3.010 5.008 ( 0.000 0.000 3.311) 3.311 5.012 ( 0.000 0.000 -0.231) 0.231 5.137 ( 0.000 0.000 1.946) 1.946 5.404 ( 0.000 0.000 -11.028) 11.028 5.565 ( 0.000 0.000 -5.154) 5.154 5.573 ( 0.000 0.000 -0.740) 0.740 5.600 ( 0.000 0.000 -10.892) 10.892 5.931 ( 0.000 0.000 0.179) 0.179 6.177 ( 0.000 0.000 2.076) 2.076 6.263 ( 0.000 0.000 -3.173) 3.173 6.288 ( 0.000 0.000 -2.189) 2.189 6.461 ( 0.000 0.000 -1.406) 1.406 6.654 ( 0.000 0.000 -6.624) 6.624 6.813 ( 0.000 0.000 -6.657) 6.657 8.044 ( 0.000 0.000 -11.567) 11.567 8.791 ( 0.000 0.000 7.345) 7.345 9.052 ( 0.000 0.000 6.000) 6.000 9.378 ( 0.000 0.000 -2.063) 2.063 9.944 ( 0.000 0.000 -1.819) 1.819 10.012 ( 0.000 0.000 -12.485) 12.485 10.064 ( 0.000 0.000 10.515) 10.515 10.288 ( 0.000 0.000 -3.537) 3.537 11.194 ( 0.000 0.000 14.246) 14.246 11.272 ( 0.000 0.000 4.615) 4.615 12.328 ( 0.000 0.000 -4.930) 4.930 12.426 ( 0.000 0.000 0.994) 0.994 12.583 ( 0.000 0.000 6.795) 6.795 12.737 ( 0.000 0.000 5.404) 5.404 12.808 ( 0.000 0.000 -1.655) 1.655 12.971 ( 0.000 0.000 -2.992) 2.992 13.761 ( 0.000 0.000 -4.182) 4.182 ======================= Grid point 46 (17/75) ======================= q-point: ( 0.20 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.659 ( 14.779 0.000 16.927) 22.471 0.686 ( 20.720 0.000 11.856) 23.872 1.153 ( 16.204 0.000 37.165) 40.543 1.340 ( -2.434 0.000 20.125) 20.271 1.547 ( -7.960 0.000 3.172) 8.569 1.919 ( -5.750 0.000 -5.748) 8.130 2.063 ( -1.975 0.000 -2.788) 3.417 2.133 ( -0.490 0.000 0.776) 0.917 2.336 ( 0.401 0.000 6.224) 6.237 2.498 ( -1.928 0.000 2.905) 3.487 2.640 ( -0.756 0.000 0.840) 1.130 2.689 ( -0.853 0.000 -3.245) 3.356 2.851 ( 4.385 0.000 4.675) 6.409 2.883 ( -1.894 0.000 7.864) 8.088 2.973 ( -1.998 0.000 6.080) 6.400 3.143 ( -2.427 0.000 -3.091) 3.930 3.291 ( -0.210 0.000 -0.330) 0.392 3.320 ( 1.056 0.000 -1.550) 1.875 3.471 ( 6.246 0.000 4.168) 7.509 3.648 ( -9.678 0.000 0.226) 9.681 3.681 ( 2.246 0.000 -1.813) 2.887 3.703 ( -15.223 0.000 -1.430) 15.290 4.059 ( -3.701 0.000 -7.846) 8.675 4.105 ( -2.024 0.000 -4.122) 4.592 4.191 ( 0.015 0.000 3.520) 3.520 4.281 ( -1.625 0.000 5.128) 5.379 4.619 ( 13.214 0.000 -0.691) 13.232 4.707 ( 4.142 0.000 -1.247) 4.325 4.891 ( 2.423 0.000 -4.539) 5.146 4.989 ( -2.053 0.000 1.733) 2.686 5.065 ( 2.984 0.000 -1.622) 3.396 5.157 ( 1.012 0.000 2.029) 2.267 5.386 ( -1.369 0.000 -8.366) 8.477 5.488 ( -4.381 0.000 -2.695) 5.144 5.576 ( 0.590 0.000 -3.991) 4.034 5.646 ( 1.024 0.000 -10.242) 10.293 5.971 ( 4.145 0.000 0.293) 4.155 6.189 ( 0.506 0.000 2.838) 2.883 6.301 ( 3.426 0.000 -4.439) 5.607 6.473 ( 1.591 0.000 -3.409) 3.762 6.589 ( -0.205 0.000 -6.811) 6.814 6.771 ( -4.026 0.000 -6.513) 7.657 6.816 ( 27.886 0.000 -23.523) 36.482 7.939 ( -10.101 0.000 -11.223) 15.099 8.978 ( 15.482 0.000 -4.166) 16.032 9.080 ( 2.752 0.000 5.457) 6.112 9.343 ( -3.300 0.000 -0.955) 3.436 9.870 ( -12.234 0.000 -11.464) 16.766 9.954 ( 0.976 0.000 -0.894) 1.323 10.052 ( -1.118 0.000 8.861) 8.931 10.332 ( 3.386 0.000 0.837) 3.488 10.738 ( -17.249 0.000 22.688) 28.501 11.771 ( 22.890 0.000 -1.541) 22.942 12.354 ( 2.367 0.000 -4.215) 4.835 12.432 ( 0.490 0.000 0.785) 0.926 12.583 ( 0.084 0.000 6.682) 6.683 12.709 ( -2.604 0.000 5.192) 5.808 12.796 ( -2.799 0.000 -0.818) 2.916 12.954 ( -1.829 0.000 -2.033) 2.735 13.235 ( -30.674 0.000 23.738) 38.786 ======================= Grid point 47 (18/75) ======================= q-point: ( 0.40 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( 17.328 0.000 10.292) 20.154 1.000 ( 12.432 0.000 22.398) 25.617 1.218 ( -9.224 0.000 22.661) 24.466 1.316 ( -14.635 0.000 6.584) 16.048 1.566 ( 20.069 0.000 9.807) 22.337 1.823 ( -6.193 0.000 -4.290) 7.534 2.057 ( 1.388 0.000 -1.828) 2.295 2.101 ( -2.452 0.000 0.328) 2.473 2.364 ( 3.269 0.000 5.109) 6.065 2.459 ( -3.814 0.000 6.424) 7.470 2.618 ( -0.312 0.000 -0.750) 0.812 2.653 ( -2.556 0.000 -0.553) 2.616 2.877 ( 0.934 0.000 6.353) 6.421 2.918 ( -3.004 0.000 6.882) 7.509 2.955 ( 5.768 0.000 1.547) 5.971 3.068 ( -5.111 0.000 -2.827) 5.841 3.304 ( 1.666 0.000 -2.164) 2.731 3.332 ( -0.538 0.000 -5.217) 5.245 3.457 ( -5.613 0.000 -0.228) 5.618 3.480 ( -6.660 0.000 -0.269) 6.665 3.610 ( 6.882 0.000 3.573) 7.754 3.703 ( -1.447 0.000 2.082) 2.536 4.006 ( -0.352 0.000 -5.773) 5.783 4.047 ( -3.339 0.000 -3.279) 4.679 4.213 ( 1.705 0.000 3.388) 3.792 4.249 ( -1.714 0.000 4.222) 4.557 4.809 ( 5.722 0.000 -1.790) 5.995 4.823 ( 7.050 0.000 -2.471) 7.471 4.906 ( -1.524 0.000 -4.112) 4.385 4.919 ( -4.870 0.000 -1.006) 4.973 5.128 ( 2.960 0.000 -0.156) 2.964 5.164 ( -0.545 0.000 1.383) 1.487 5.373 ( 0.581 0.000 -3.270) 3.321 5.412 ( -3.080 0.000 -1.261) 3.328 5.598 ( 1.625 0.000 -6.535) 6.734 5.634 ( -1.649 0.000 -9.017) 9.167 6.077 ( 5.607 0.000 0.364) 5.618 6.168 ( -3.008 0.000 2.247) 3.755 6.397 ( 5.806 0.000 -5.390) 7.922 6.513 ( -5.420 0.000 -5.944) 8.044 6.541 ( 5.274 0.000 -5.652) 7.731 6.664 ( -6.355 0.000 -6.175) 8.861 7.300 ( 20.484 0.000 -17.649) 27.038 7.667 ( -16.480 0.000 -12.099) 20.444 9.157 ( 4.693 0.000 3.873) 6.084 9.257 ( -5.031 0.000 1.488) 5.247 9.298 ( 15.614 0.000 -10.835) 19.005 9.596 ( -14.439 0.000 -10.326) 17.751 9.982 ( 1.825 0.000 1.620) 2.440 10.021 ( -1.913 0.000 5.226) 5.565 10.407 ( 4.266 0.000 7.570) 8.689 10.514 ( -7.102 0.000 15.333) 16.898 12.171 ( 18.413 0.000 4.880) 19.049 12.408 ( 2.523 0.000 -2.310) 3.421 12.437 ( -0.341 0.000 -0.180) 0.385 12.543 ( -19.211 0.000 12.445) 22.889 12.595 ( 1.391 0.000 6.092) 6.248 12.645 ( -3.364 0.000 5.130) 6.135 12.923 ( 0.476 0.000 1.579) 1.650 12.960 ( -3.221 0.000 2.754) 4.238 ======================= Grid point 50 (19/75) ======================= q-point: ( 0.00 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.572 ( 0.000 18.020 8.931) 20.112 0.707 ( 0.000 17.539 16.236) 23.900 1.261 ( 0.000 22.415 36.286) 42.652 1.426 ( 0.000 7.513 19.140) 20.562 1.639 ( 0.000 2.009 2.782) 3.432 1.852 ( 0.000 -11.391 0.096) 11.392 2.088 ( 0.000 -0.912 -4.113) 4.213 2.142 ( 0.000 0.590 0.054) 0.593 2.293 ( 0.000 -2.083 6.629) 6.948 2.525 ( 0.000 -1.133 0.238) 1.157 2.533 ( 0.000 -10.775 3.291) 11.267 2.653 ( 0.000 -3.631 0.478) 3.663 2.746 ( 0.000 -2.234 0.851) 2.390 2.859 ( 0.000 -10.705 4.481) 11.605 2.878 ( 0.000 -1.893 7.549) 7.783 3.169 ( 0.000 -0.310 1.272) 1.309 3.210 ( 0.000 -5.494 -0.735) 5.543 3.378 ( 0.000 -1.117 0.702) 1.320 3.380 ( 0.000 -1.870 2.869) 3.425 3.552 ( 0.000 -9.355 -0.747) 9.385 3.840 ( 0.000 6.535 -3.123) 7.243 3.988 ( 0.000 5.058 -4.687) 6.895 4.082 ( 0.000 -6.691 -10.656) 12.582 4.105 ( 0.000 -0.395 -7.967) 7.977 4.274 ( 0.000 2.672 6.072) 6.634 4.335 ( 0.000 4.983 -2.295) 5.486 4.406 ( 0.000 -0.041 0.547) 0.549 4.706 ( 0.000 3.973 -2.664) 4.783 4.839 ( 0.000 -13.760 -1.025) 13.798 4.928 ( 0.000 4.735 -1.267) 4.902 5.033 ( 0.000 0.700 -1.568) 1.717 5.138 ( 0.000 1.342 4.063) 4.279 5.474 ( 0.000 4.564 -7.408) 8.701 5.520 ( 0.000 -4.593 -0.940) 4.688 5.573 ( 0.000 -1.277 -11.806) 11.875 5.658 ( 0.000 3.521 -5.790) 6.777 5.880 ( 0.000 -4.211 0.644) 4.260 5.988 ( 0.000 -8.767 3.214) 9.337 6.292 ( 0.000 1.044 -2.776) 2.966 6.435 ( 0.000 2.017 -3.706) 4.219 6.551 ( 0.000 13.291 -1.105) 13.337 6.739 ( 0.000 8.814 -6.045) 10.688 7.121 ( 0.000 17.454 -24.579) 30.146 7.960 ( 0.000 -7.402 -12.055) 14.146 8.799 ( 0.000 1.051 6.984) 7.062 9.089 ( 0.000 2.733 8.737) 9.155 9.358 ( 0.000 -2.375 -1.487) 2.802 9.780 ( 0.000 -12.561 15.561) 19.998 10.066 ( 0.000 11.285 -3.373) 11.779 10.188 ( 0.000 5.657 -2.879) 6.348 10.318 ( 0.000 2.914 -4.793) 5.609 11.167 ( 0.000 -2.483 14.523) 14.733 11.252 ( 0.000 -4.769 -10.496) 11.528 12.343 ( 0.000 1.443 -4.997) 5.201 12.384 ( 0.000 -11.398 8.168) 14.022 12.613 ( 0.000 2.990 6.404) 7.068 12.694 ( 0.000 2.493 2.739) 3.704 12.842 ( 0.000 2.301 -0.033) 2.301 12.989 ( 0.000 1.605 -2.997) 3.399 13.396 ( 0.000 -18.770 13.370) 23.045 ======================= Grid point 51 (20/75) ======================= q-point: ( 0.20 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( 11.740 9.516 10.687) 18.509 0.871 ( 11.860 12.676 16.114) 23.686 1.409 ( -1.366 7.536 18.561) 20.079 1.411 ( 12.360 19.455 25.604) 34.451 1.547 ( -8.905 1.094 5.081) 10.311 1.820 ( -1.998 -7.241 -1.314) 7.626 2.085 ( 0.043 0.903 -3.257) 3.381 2.149 ( 0.132 1.234 -0.076) 1.244 2.298 ( 0.695 -2.821 6.181) 6.830 2.458 ( -2.464 -4.410 3.957) 6.417 2.586 ( 1.585 -5.095 1.464) 5.533 2.648 ( -0.933 -4.527 0.071) 4.623 2.774 ( 1.997 -3.456 1.613) 4.305 2.851 ( -0.778 -9.423 4.639) 10.531 2.878 ( 1.126 -1.140 5.138) 5.382 3.160 ( -4.164 0.190 -2.669) 4.950 3.232 ( 2.144 -5.219 -2.513) 6.177 3.280 ( 0.697 -3.782 1.655) 4.187 3.497 ( 3.748 0.733 3.698) 5.316 3.525 ( -3.252 -8.439 2.001) 9.263 3.730 ( -7.987 0.525 -3.119) 8.591 3.781 ( -14.709 5.422 -0.982) 15.708 4.047 ( -1.290 -2.867 -7.179) 7.837 4.102 ( -1.288 2.164 -7.405) 7.822 4.253 ( -0.569 5.031 2.302) 5.562 4.295 ( -1.381 1.572 2.842) 3.529 4.570 ( 8.643 -2.269 -2.382) 9.248 4.775 ( 5.510 2.235 -3.864) 7.092 4.844 ( 0.115 -7.610 -3.971) 8.585 4.946 ( 1.979 -1.871 2.717) 3.847 5.044 ( 1.445 0.910 -4.540) 4.851 5.182 ( 2.370 4.444 4.933) 7.050 5.443 ( -3.807 -0.196 -5.090) 6.359 5.460 ( -3.267 -0.381 -2.359) 4.048 5.616 ( 1.523 1.548 -6.345) 6.706 5.639 ( 0.225 0.859 -7.590) 7.641 5.922 ( 4.216 -4.568 0.434) 6.232 6.082 ( 3.976 -8.615 0.498) 9.501 6.345 ( 5.131 2.027 -2.908) 6.237 6.464 ( 2.411 -0.160 -3.611) 4.345 6.620 ( 4.186 4.514 -3.852) 7.262 6.707 ( -3.177 8.578 -5.993) 10.936 7.171 ( 6.196 15.131 -23.856) 28.922 7.872 ( -8.463 -5.954 -11.799) 15.694 8.927 ( 10.702 -2.879 0.389) 11.090 9.113 ( 2.431 1.897 7.735) 8.327 9.345 ( -1.181 -1.025 -0.492) 1.639 9.703 ( -7.084 -10.301 11.255) 16.822 10.067 ( -0.078 9.236 -2.877) 9.674 10.132 ( -3.862 5.534 -4.376) 8.043 10.371 ( 4.148 3.867 -0.073) 5.671 10.831 ( -15.505 5.719 9.310) 18.968 11.581 ( 15.901 -14.078 0.560) 21.245 12.258 ( -7.286 -14.219 8.557) 18.124 12.428 ( 3.525 -0.755 0.077) 3.606 12.614 ( -0.095 3.559 4.101) 5.431 12.693 ( 0.100 4.329 2.242) 4.876 12.832 ( -1.325 1.975 -0.431) 2.417 12.986 ( -0.219 2.714 -2.385) 3.620 13.204 ( -13.050 -2.078 13.316) 18.760 ======================= Grid point 52 (21/75) ======================= q-point: ( 0.40 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( 16.182 2.146 8.377) 18.348 1.102 ( 11.095 9.133 19.715) 24.396 1.280 ( -11.515 2.074 12.261) 16.948 1.317 ( -11.635 5.562 14.113) 19.118 1.693 ( 10.660 8.799 7.140) 15.558 1.795 ( -1.334 -2.333 -1.396) 3.028 2.105 ( 2.109 3.817 -0.525) 4.392 2.141 ( -0.966 3.674 0.107) 3.800 2.337 ( 3.941 -2.567 5.904) 7.549 2.423 ( -2.498 -3.479 6.926) 8.143 2.590 ( -0.479 -3.565 0.376) 3.617 2.613 ( -2.223 -4.263 1.792) 5.131 2.801 ( 1.065 -5.095 2.965) 5.990 2.828 ( -1.493 -6.984 4.122) 8.246 2.945 ( 4.870 -1.111 0.781) 5.056 3.049 ( -5.585 -1.984 -2.075) 6.279 3.290 ( 3.744 -1.469 -1.952) 4.471 3.336 ( 3.051 -2.839 -5.143) 6.620 3.401 ( -6.489 -2.208 1.123) 6.945 3.457 ( -9.305 -1.145 -0.867) 9.415 3.602 ( 2.947 -2.134 5.482) 6.579 3.665 ( -2.708 -4.757 3.286) 6.385 4.033 ( 0.456 2.154 -6.731) 7.082 4.064 ( -2.201 2.416 -6.162) 6.975 4.259 ( 0.844 4.119 2.570) 4.928 4.276 ( -0.800 2.702 3.203) 4.266 4.711 ( 5.944 -3.755 -4.151) 8.164 4.808 ( -3.397 -3.868 -5.459) 7.503 4.880 ( 4.171 -4.245 -3.963) 7.150 4.946 ( -2.166 -3.355 -1.031) 4.124 5.125 ( 5.472 3.731 -0.110) 6.624 5.199 ( -1.233 6.280 3.261) 7.183 5.380 ( -1.329 -1.703 -0.597) 2.241 5.398 ( -2.541 -1.476 0.618) 3.003 5.636 ( 0.605 2.916 -6.562) 7.206 5.643 ( -0.129 0.988 -8.785) 8.841 6.023 ( 5.047 -4.815 0.044) 6.976 6.097 ( -1.938 -5.975 0.387) 6.294 6.474 ( 7.165 5.103 -4.333) 9.806 6.533 ( 4.407 -0.199 -4.654) 6.412 6.610 ( -5.380 6.895 -5.549) 10.358 6.627 ( -3.957 1.036 -4.613) 6.165 7.375 ( 13.043 5.356 -17.558) 22.519 7.647 ( -13.360 -1.914 -12.683) 18.521 9.116 ( 6.229 -4.621 -1.198) 7.848 9.171 ( 1.377 -3.079 1.954) 3.898 9.352 ( 4.586 0.747 2.009) 5.062 9.524 ( -10.130 -5.516 4.036) 12.220 10.062 ( -0.156 6.630 -3.062) 7.305 10.075 ( -1.660 5.057 -2.411) 5.843 10.466 ( 5.448 5.450 4.904) 9.134 10.599 ( -8.420 6.880 8.642) 13.889 11.856 ( 12.172 -19.018 7.141) 23.682 12.078 ( -10.242 -19.990 11.989) 25.461 12.514 ( 4.710 0.254 0.458) 4.739 12.592 ( -2.558 0.978 2.250) 3.545 12.711 ( 1.997 8.191 0.741) 8.464 12.775 ( -4.004 5.668 -0.164) 6.942 12.987 ( 0.679 5.202 -0.088) 5.247 13.029 ( -4.313 6.625 4.971) 9.338 ======================= Grid point 55 (22/75) ======================= q-point: ( 0.00 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( 0.000 18.301 4.876) 18.940 1.063 ( 0.000 15.430 13.449) 20.468 1.605 ( 0.000 2.557 4.696) 5.348 1.610 ( 0.000 10.102 10.344) 14.458 1.751 ( 0.000 9.776 9.161) 13.398 1.856 ( 0.000 20.040 18.829) 27.498 2.080 ( 0.000 -0.002 -5.208) 5.208 2.088 ( 0.000 -7.314 4.529) 8.603 2.252 ( 0.000 -1.176 0.173) 1.189 2.374 ( 0.000 -2.671 4.296) 5.058 2.412 ( 0.000 -14.647 2.581) 14.873 2.512 ( 0.000 -5.321 5.239) 7.468 2.707 ( 0.000 -2.173 -0.913) 2.357 2.715 ( 0.000 -2.576 -1.341) 2.904 2.824 ( 0.000 -3.889 5.590) 6.810 3.092 ( 0.000 -5.775 0.737) 5.822 3.148 ( 0.000 -3.269 -1.023) 3.425 3.262 ( 0.000 -9.856 3.133) 10.342 3.310 ( 0.000 -4.450 1.342) 4.648 3.362 ( 0.000 -7.432 2.623) 7.881 3.794 ( 0.000 -16.098 -9.142) 18.513 3.963 ( 0.000 2.494 -6.074) 6.566 4.074 ( 0.000 -1.521 -6.331) 6.511 4.135 ( 0.000 4.913 -4.001) 6.336 4.354 ( 0.000 4.495 1.994) 4.918 4.410 ( 0.000 1.036 -1.385) 1.729 4.435 ( 0.000 4.340 -6.588) 7.889 4.578 ( 0.000 -10.265 1.631) 10.394 4.785 ( 0.000 2.768 -7.740) 8.220 4.994 ( 0.000 -3.803 -5.856) 6.982 5.042 ( 0.000 6.699 3.996) 7.800 5.205 ( 0.000 4.095 3.326) 5.276 5.417 ( 0.000 -3.761 -1.230) 3.957 5.532 ( 0.000 -2.665 -10.458) 10.792 5.551 ( 0.000 2.148 -3.797) 4.363 5.684 ( 0.000 -0.807 -1.692) 1.875 5.804 ( 0.000 -2.502 1.519) 2.927 5.858 ( 0.000 -4.163 6.598) 7.802 6.327 ( 0.000 2.235 -3.071) 3.799 6.447 ( 0.000 0.147 -1.850) 1.855 6.830 ( 0.000 12.821 -4.213) 13.496 6.946 ( 0.000 10.393 -6.803) 12.421 7.354 ( 0.000 6.846 -22.248) 23.278 7.790 ( 0.000 -8.630 -12.916) 15.534 8.835 ( 0.000 2.386 7.066) 7.458 9.141 ( 0.000 2.474 11.850) 12.106 9.268 ( 0.000 -6.609 1.386) 6.753 9.563 ( 0.000 -9.032 18.285) 20.394 10.303 ( 0.000 5.647 -0.170) 5.649 10.311 ( 0.000 8.326 -4.009) 9.241 10.438 ( 0.000 12.223 -8.167) 14.700 11.086 ( 0.000 -9.747 -14.420) 17.406 11.107 ( 0.000 -3.027 14.838) 15.144 12.029 ( 0.000 -19.622 15.087) 24.751 12.389 ( 0.000 3.282 -5.119) 6.081 12.701 ( 0.000 5.437 5.484) 7.722 12.786 ( 0.000 2.252 -4.349) 4.898 12.887 ( 0.000 2.656 1.181) 2.907 13.028 ( 0.000 2.057 -3.088) 3.711 13.177 ( 0.000 -5.335 6.234) 8.205 ======================= Grid point 56 (23/75) ======================= q-point: ( 0.20 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( 4.791 17.863 4.683) 19.079 1.138 ( 6.698 11.956 13.235) 19.052 1.551 ( -6.192 7.483 5.690) 11.257 1.627 ( -2.229 5.351 9.596) 11.211 1.716 ( 0.332 4.884 9.081) 10.316 1.848 ( -0.876 14.574 12.081) 18.950 2.106 ( 3.890 -1.339 -0.383) 4.132 2.152 ( 3.882 1.362 3.022) 5.105 2.244 ( -0.068 -1.226 1.458) 1.906 2.348 ( -1.963 -5.790 4.784) 7.763 2.425 ( 1.053 -11.216 3.094) 11.682 2.514 ( -0.028 -5.439 4.982) 7.376 2.704 ( 0.218 -3.567 -1.206) 3.772 2.734 ( 0.365 -2.515 -1.196) 2.809 2.841 ( 2.526 -2.469 3.970) 5.314 3.100 ( 1.721 -7.121 -2.438) 7.721 3.134 ( -7.945 -3.833 0.689) 8.848 3.190 ( 2.455 -4.956 -1.377) 5.700 3.331 ( 3.613 -8.427 4.352) 10.149 3.456 ( 3.423 -6.349 3.630) 8.075 3.650 ( -9.546 -6.547 -4.412) 12.387 3.850 ( -14.831 -0.262 -1.638) 14.923 4.038 ( 2.162 2.481 -7.374) 8.076 4.147 ( -0.959 1.623 -7.301) 7.540 4.350 ( -0.138 4.265 0.624) 4.313 4.363 ( -1.161 4.778 -1.942) 5.286 4.536 ( 6.139 -1.692 -4.314) 7.692 4.625 ( 4.234 -7.835 -0.705) 8.934 4.808 ( -0.252 -0.514 -7.096) 7.119 4.940 ( -3.751 -2.231 -2.883) 5.231 5.069 ( 4.373 2.552 0.542) 5.093 5.304 ( 5.451 5.513 3.826) 8.645 5.372 ( -2.738 -2.474 -0.953) 3.811 5.473 ( -5.559 -0.157 -1.900) 5.877 5.606 ( 3.854 -1.177 -8.633) 9.528 5.684 ( 0.324 1.696 -1.742) 2.453 5.815 ( 3.197 -5.101 0.321) 6.029 5.934 ( 4.055 -4.979 4.171) 7.657 6.387 ( 5.892 2.263 -3.284) 7.115 6.472 ( 2.589 0.625 -2.329) 3.538 6.795 ( -3.384 10.136 -4.181) 11.475 6.907 ( -3.982 9.795 -6.571) 12.449 7.379 ( 2.606 6.354 -20.425) 21.549 7.734 ( -5.332 -7.062 -12.824) 15.580 8.897 ( 5.627 -0.120 4.763) 7.373 9.137 ( -0.450 0.171 8.286) 8.300 9.281 ( 1.304 -4.672 4.936) 6.920 9.520 ( -4.049 -7.730 17.043) 19.147 10.247 ( -3.512 5.502 -5.568) 8.580 10.277 ( -3.538 9.353 -3.744) 10.678 10.496 ( 4.689 9.034 -3.441) 10.744 10.895 ( -9.176 1.047 0.449) 9.246 11.315 ( 10.935 -11.122 3.515) 15.988 11.923 ( -8.848 -16.809 14.289) 23.770 12.434 ( 3.647 1.686 -3.145) 5.102 12.672 ( -2.656 3.355 4.423) 6.155 12.794 ( 0.652 1.672 -3.911) 4.303 12.873 ( -1.306 2.632 0.663) 3.012 13.050 ( 2.047 3.215 -2.309) 4.456 13.170 ( -0.822 -1.180 4.357) 4.588 ======================= Grid point 57 (24/75) ======================= q-point: ( 0.40 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( 9.941 13.242 4.237) 17.091 1.296 ( 5.786 7.985 10.441) 14.362 1.380 ( -6.944 10.399 6.847) 14.257 1.508 ( -8.407 10.230 14.027) 19.290 1.754 ( 2.398 -0.331 6.575) 7.007 1.811 ( -2.936 2.551 5.838) 7.015 2.183 ( 2.822 1.122 -0.440) 3.069 2.206 ( 0.696 2.001 1.873) 2.828 2.283 ( 3.000 -0.962 4.071) 5.147 2.317 ( -1.080 -7.262 5.064) 8.919 2.456 ( 2.322 -7.229 4.670) 8.914 2.501 ( -1.538 -6.006 4.910) 7.909 2.713 ( 0.607 -3.993 -1.474) 4.300 2.727 ( -0.683 -3.282 -1.328) 3.606 2.918 ( 4.364 -1.391 0.238) 4.586 3.005 ( -4.824 -2.113 -1.105) 5.381 3.175 ( 5.798 -9.363 -2.775) 11.357 3.254 ( 3.664 -4.525 1.051) 5.916 3.360 ( -3.856 -3.866 -2.598) 6.047 3.439 ( -3.844 -2.613 1.836) 4.998 3.540 ( -2.848 -0.451 3.694) 4.686 3.574 ( -6.714 -2.446 4.784) 8.599 4.075 ( 1.648 1.281 -8.267) 8.526 4.112 ( -2.047 1.353 -8.219) 8.577 4.352 ( 0.436 4.804 -0.365) 4.837 4.359 ( 0.000 5.121 1.239) 5.268 4.652 ( 5.225 -2.758 -5.539) 8.098 4.713 ( 2.223 -5.697 -4.289) 7.470 4.774 ( -0.386 -2.738 -4.996) 5.710 4.854 ( -4.998 -4.491 -3.134) 7.414 5.181 ( 6.024 -2.493 0.184) 6.522 5.300 ( -5.355 -4.299 -0.227) 6.871 5.372 ( 1.421 7.121 4.325) 8.452 5.389 ( -1.463 4.338 2.901) 5.420 5.659 ( 2.020 0.377 -7.381) 7.661 5.688 ( -0.577 1.665 -4.855) 5.165 5.909 ( 4.800 -5.732 0.337) 7.484 5.969 ( -0.774 -5.533 1.900) 5.901 6.529 ( 6.145 1.521 -4.239) 7.618 6.552 ( 4.984 1.870 -3.340) 6.284 6.715 ( -2.857 7.204 -4.027) 8.733 6.791 ( -7.221 8.154 -5.452) 12.180 7.462 ( 5.757 3.037 -16.595) 17.826 7.599 ( -7.490 -2.569 -13.630) 15.764 9.023 ( 6.017 -3.792 1.771) 7.330 9.111 ( -2.638 -3.633 2.670) 5.224 9.325 ( 3.446 -2.428 10.959) 11.742 9.419 ( -5.490 -4.572 14.278) 15.965 10.196 ( -1.149 6.093 -7.162) 9.473 10.209 ( -2.438 7.172 -5.777) 9.526 10.602 ( 5.900 7.452 0.711) 9.531 10.732 ( -7.253 5.815 2.087) 9.528 11.528 ( 10.356 -13.019 7.586) 18.284 11.730 ( -9.995 -14.373 11.778) 21.100 12.515 ( 4.356 0.717 -0.733) 4.475 12.602 ( -4.167 1.011 1.790) 4.647 12.813 ( 1.250 1.519 -2.152) 2.916 12.842 ( -1.644 2.033 -0.457) 2.654 13.098 ( 2.532 4.840 -0.817) 5.523 13.143 ( -1.846 3.789 1.373) 4.433 ======================= Grid point 60 (25/75) ======================= q-point: ( 0.00 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( 0.000 15.184 3.644) 15.615 1.290 ( 0.000 9.783 14.209) 17.251 1.765 ( 0.000 11.746 3.881) 12.371 1.839 ( 0.000 10.916 8.397) 13.773 1.845 ( 0.000 -10.243 3.224) 10.739 1.957 ( 0.000 -10.160 6.403) 12.009 2.014 ( 0.000 8.857 9.059) 12.669 2.163 ( 0.000 -2.399 -5.790) 6.267 2.165 ( 0.000 2.405 4.621) 5.210 2.311 ( 0.000 3.228 1.359) 3.503 2.424 ( 0.000 -4.238 3.144) 5.277 2.441 ( 0.000 10.689 4.182) 11.478 2.614 ( 0.000 -9.496 -0.495) 9.509 2.687 ( 0.000 -1.492 -2.744) 3.124 2.746 ( 0.000 -1.506 6.339) 6.515 2.939 ( 0.000 -13.057 0.021) 13.057 3.000 ( 0.000 -2.564 3.277) 4.160 3.118 ( 0.000 -7.538 1.028) 7.608 3.252 ( 0.000 0.889 0.177) 0.906 3.264 ( 0.000 -0.776 4.563) 4.629 3.499 ( 0.000 -11.101 -6.058) 12.647 3.820 ( 0.000 -13.410 -5.807) 14.613 4.132 ( 0.000 3.779 -3.894) 5.426 4.191 ( 0.000 0.780 -3.066) 3.164 4.402 ( 0.000 0.638 -2.925) 2.993 4.430 ( 0.000 -3.839 0.334) 3.854 4.480 ( 0.000 4.662 -2.329) 5.211 4.513 ( 0.000 2.731 -8.376) 8.810 4.811 ( 0.000 0.464 -10.919) 10.928 4.907 ( 0.000 -4.337 -6.623) 7.917 5.184 ( 0.000 6.686 6.353) 9.223 5.273 ( 0.000 2.210 1.031) 2.439 5.399 ( 0.000 1.593 -2.265) 2.769 5.476 ( 0.000 -2.616 -8.677) 9.063 5.558 ( 0.000 -0.880 -0.634) 1.085 5.635 ( 0.000 -3.585 0.863) 3.687 5.788 ( 0.000 0.432 3.504) 3.531 5.813 ( 0.000 -0.802 8.154) 8.193 6.374 ( 0.000 2.223 -2.551) 3.384 6.441 ( 0.000 -0.820 -1.479) 1.691 7.047 ( 0.000 8.428 -5.956) 10.320 7.116 ( 0.000 5.685 -7.218) 9.188 7.449 ( 0.000 3.520 -17.559) 17.909 7.633 ( 0.000 -6.690 -13.783) 15.321 8.890 ( 0.000 3.111 7.573) 8.188 9.110 ( 0.000 -8.123 5.611) 9.872 9.198 ( 0.000 3.498 12.993) 13.456 9.407 ( 0.000 -6.713 15.181) 16.599 10.398 ( 0.000 2.494 -5.679) 6.203 10.400 ( 0.000 3.454 -0.042) 3.455 10.754 ( 0.000 14.799 -8.968) 17.304 10.929 ( 0.000 -4.851 -10.637) 11.691 11.068 ( 0.000 0.797 15.321) 15.342 11.638 ( 0.000 -19.133 11.349) 22.246 12.481 ( 0.000 5.786 -5.285) 7.837 12.743 ( 0.000 -5.267 -4.318) 6.811 12.819 ( 0.000 5.971 4.633) 7.557 12.943 ( 0.000 1.589 0.742) 1.754 13.064 ( 0.000 1.359 -3.236) 3.510 13.111 ( 0.000 -2.118 0.995) 2.340 ======================= Grid point 61 (26/75) ======================= q-point: ( 0.20 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( 3.046 9.196 8.869) 13.134 1.339 ( 3.821 13.662 6.802) 15.733 1.734 ( -4.865 6.216 2.935) 8.422 1.773 ( -2.099 9.820 5.373) 11.389 1.868 ( -2.810 4.200 12.039) 13.057 1.887 ( -4.765 -10.927 8.417) 14.592 2.038 ( 4.547 4.604 3.313) 7.270 2.157 ( -0.034 -3.570 -4.041) 5.393 2.193 ( 0.787 -0.222 1.102) 1.372 2.334 ( 1.919 2.209 3.929) 4.898 2.415 ( -1.980 3.199 2.478) 4.505 2.425 ( -0.937 0.181 3.548) 3.674 2.614 ( 0.168 -9.496 -0.189) 9.499 2.650 ( -2.083 -3.355 -1.125) 4.106 2.812 ( 4.552 -0.075 4.631) 6.494 2.942 ( 0.630 -7.193 -1.808) 7.443 3.015 ( 2.156 -9.965 3.200) 10.686 3.082 ( -5.935 -1.540 3.834) 7.232 3.247 ( 7.941 -2.093 -1.051) 8.279 3.320 ( -0.488 -1.336 -1.301) 1.928 3.542 ( 3.231 -4.254 -0.580) 5.373 3.742 ( -7.607 -9.844 -3.254) 12.859 4.102 ( -2.399 2.875 -4.750) 6.048 4.164 ( -2.379 0.012 -5.380) 5.882 4.425 ( 1.544 2.173 -4.164) 4.944 4.438 ( 0.937 2.164 -0.744) 2.473 4.509 ( 3.019 0.068 -5.187) 6.002 4.544 ( 3.644 -0.977 -2.650) 4.610 4.788 ( -2.244 -1.159 -7.247) 7.674 4.879 ( -3.210 -2.995 -6.479) 7.826 5.121 ( -2.969 3.118 2.486) 4.972 5.298 ( -3.526 -3.516 -0.711) 5.030 5.439 ( 5.528 5.514 1.527) 7.956 5.482 ( -1.009 1.086 -0.260) 1.505 5.571 ( 5.038 -2.024 -5.707) 7.877 5.684 ( 2.098 -1.896 -1.534) 3.217 5.753 ( 0.162 -0.794 3.150) 3.252 5.879 ( 2.944 -1.037 6.649) 7.345 6.428 ( 5.297 1.599 -3.138) 6.361 6.481 ( 4.012 0.169 -1.599) 4.322 6.977 ( -6.300 7.308 -5.942) 11.331 7.062 ( -5.452 4.930 -6.580) 9.865 7.466 ( 1.491 3.055 -16.719) 17.061 7.607 ( -2.344 -5.238 -13.796) 14.942 8.914 ( 2.281 1.730 6.750) 7.332 9.079 ( -2.349 -5.755 5.389) 8.226 9.233 ( 2.669 0.987 13.273) 13.575 9.387 ( -1.819 -5.632 15.044) 16.167 10.338 ( -3.080 3.236 -6.203) 7.644 10.399 ( -3.029 3.263 -4.283) 6.177 10.697 ( -0.898 7.750 -4.548) 9.031 10.948 ( -2.803 6.967 1.469) 7.652 11.146 ( 8.529 -5.820 5.075) 11.505 11.594 ( -4.189 -15.868 9.676) 19.052 12.501 ( 1.980 4.843 -4.531) 6.921 12.718 ( -3.133 -1.966 -2.627) 4.536 12.795 ( -0.565 2.406 2.431) 3.467 12.910 ( -2.817 0.141 0.996) 2.991 13.100 ( 3.382 1.673 -2.584) 4.573 13.155 ( 2.792 -0.395 0.163) 2.825 ======================= Grid point 62 (27/75) ======================= q-point: ( 0.40 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( 6.095 3.665 8.354) 10.972 1.430 ( 4.424 11.987 4.101) 13.420 1.619 ( -5.213 10.464 3.450) 12.189 1.651 ( -8.385 2.662 6.910) 11.187 1.816 ( 0.485 4.416 10.663) 11.551 1.845 ( -1.969 3.674 11.580) 12.308 2.154 ( 4.487 -2.204 -0.403) 5.016 2.166 ( 1.182 -3.453 -2.539) 4.446 2.199 ( 1.711 -0.976 0.501) 2.032 2.318 ( -6.130 1.466 1.694) 6.526 2.379 ( 1.346 -0.949 5.145) 5.402 2.407 ( -1.147 -2.903 4.370) 5.371 2.620 ( 0.313 -7.735 -1.652) 7.916 2.627 ( -0.438 -5.357 -1.416) 5.558 2.881 ( 2.496 -2.305 3.743) 5.055 2.944 ( -4.336 -4.377 2.389) 6.608 3.010 ( 5.694 -6.099 -2.580) 8.734 3.098 ( -0.684 -8.636 1.107) 8.734 3.316 ( 5.151 1.471 -1.598) 5.590 3.423 ( 5.320 1.671 0.004) 5.576 3.535 ( -6.724 -2.045 1.091) 7.112 3.574 ( -4.431 1.240 2.124) 5.068 4.076 ( 0.428 -0.553 -7.209) 7.243 4.111 ( -2.582 -1.100 -7.277) 7.799 4.452 ( 1.013 4.573 -3.049) 5.588 4.457 ( 0.545 4.582 -1.609) 4.887 4.591 ( 4.435 -2.850 -4.340) 6.828 4.629 ( 2.658 -3.509 -2.595) 5.110 4.741 ( -1.057 -0.908 -4.515) 4.725 4.795 ( -4.601 -1.421 -4.914) 6.880 5.091 ( 1.181 -3.616 0.948) 3.920 5.179 ( -6.756 -6.256 1.108) 9.274 5.504 ( 2.691 5.682 1.432) 6.448 5.523 ( 1.188 6.009 1.103) 6.224 5.649 ( 2.661 -1.283 -5.029) 5.832 5.692 ( -1.205 -1.311 -3.650) 4.061 5.823 ( 5.350 -2.407 2.531) 6.389 5.897 ( -1.436 -1.759 4.661) 5.185 6.558 ( 6.479 1.155 -3.865) 7.632 6.590 ( 5.124 1.496 -2.727) 5.994 6.846 ( -4.435 5.130 -5.107) 8.489 6.913 ( -8.444 3.620 -5.220) 10.567 7.503 ( 2.174 1.262 -15.331) 15.535 7.553 ( -2.812 -1.864 -14.241) 14.635 8.970 ( 3.069 -1.347 5.270) 6.245 9.029 ( -2.717 -3.974 4.742) 6.758 9.288 ( 2.717 -0.881 14.251) 14.534 9.341 ( -2.606 -3.143 14.759) 15.313 10.296 ( -0.733 3.464 -8.578) 9.280 10.321 ( -3.278 3.515 -8.300) 9.591 10.744 ( 4.569 5.906 2.794) 7.972 10.852 ( -5.762 6.504 5.612) 10.345 11.329 ( 8.777 -6.922 3.263) 11.645 11.484 ( -6.696 -10.379 6.225) 13.831 12.556 ( 3.435 3.198 -3.093) 5.621 12.635 ( -4.411 1.656 -1.809) 5.047 12.810 ( 1.644 -0.851 0.854) 2.039 12.853 ( -2.620 -0.945 0.997) 2.958 13.165 ( 2.522 1.892 -1.845) 3.653 13.189 ( 0.295 1.122 -0.872) 1.451 ======================= Grid point 65 (28/75) ======================= q-point: ( 0.00 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( 0.000 -2.700 11.831) 12.135 1.524 ( 0.000 2.700 11.831) 12.135 1.621 ( 0.000 -1.731 3.039) 3.498 1.621 ( 0.000 1.731 3.039) 3.498 1.996 ( 0.000 -2.825 11.234) 11.584 1.996 ( 0.000 2.825 11.234) 11.584 2.156 ( 0.000 -1.151 -4.807) 4.943 2.156 ( 0.000 1.151 -4.807) 4.943 2.322 ( 0.000 -14.407 -0.906) 14.436 2.322 ( 0.000 14.407 -0.906) 14.436 2.352 ( 0.000 -0.049 3.159) 3.159 2.352 ( 0.000 0.049 3.159) 3.159 2.604 ( 0.000 -5.783 -1.255) 5.918 2.604 ( 0.000 5.783 -1.255) 5.918 2.771 ( 0.000 -2.873 2.677) 3.926 2.771 ( 0.000 2.873 2.677) 3.926 2.999 ( 0.000 -1.778 3.944) 4.327 2.999 ( 0.000 1.778 3.944) 4.327 3.296 ( 0.000 -1.149 1.727) 2.075 3.296 ( 0.000 1.149 1.727) 2.075 3.502 ( 0.000 -14.657 -3.358) 15.037 3.502 ( 0.000 14.657 -3.358) 15.037 4.182 ( 0.000 -1.410 -2.284) 2.684 4.182 ( 0.000 1.410 -2.284) 2.684 4.402 ( 0.000 -0.188 -3.269) 3.275 4.402 ( 0.000 0.188 -3.269) 3.275 4.540 ( 0.000 -0.519 -6.591) 6.612 4.540 ( 0.000 0.519 -6.591) 6.612 4.835 ( 0.000 -2.111 -9.096) 9.338 4.835 ( 0.000 2.111 -9.096) 9.338 5.279 ( 0.000 -1.316 3.548) 3.784 5.279 ( 0.000 1.316 3.548) 3.784 5.436 ( 0.000 -0.688 -5.978) 6.017 5.436 ( 0.000 0.688 -5.978) 6.017 5.565 ( 0.000 -1.732 1.823) 2.514 5.565 ( 0.000 1.732 1.823) 2.514 5.802 ( 0.000 -0.218 6.357) 6.361 5.802 ( 0.000 0.218 6.357) 6.361 6.414 ( 0.000 -1.681 -1.866) 2.512 6.414 ( 0.000 1.681 -1.866) 2.512 7.155 ( 0.000 -1.873 -6.985) 7.232 7.155 ( 0.000 1.873 -6.985) 7.232 7.523 ( 0.000 -4.301 -15.060) 15.662 7.523 ( 0.000 4.301 -15.060) 15.662 8.971 ( 0.000 -5.345 7.627) 9.314 8.971 ( 0.000 5.345 7.627) 9.314 9.286 ( 0.000 -5.215 13.505) 14.477 9.286 ( 0.000 5.215 13.505) 14.477 10.429 ( 0.000 -0.127 -3.628) 3.630 10.429 ( 0.000 0.127 -3.628) 3.630 10.888 ( 0.000 -0.094 -6.456) 6.457 10.888 ( 0.000 0.094 -6.456) 6.457 11.266 ( 0.000 -16.762 10.324) 19.687 11.266 ( 0.000 16.762 10.324) 19.687 12.613 ( 0.000 -6.963 -5.044) 8.598 12.613 ( 0.000 6.963 -5.044) 8.598 12.922 ( 0.000 -3.607 3.430) 4.978 12.922 ( 0.000 3.607 3.430) 4.978 13.083 ( 0.000 -0.568 -2.590) 2.652 13.083 ( 0.000 0.568 -2.590) 2.652 ======================= Grid point 67 (29/75) ======================= q-point: ( 0.20 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( -1.822 0.000 10.520) 10.677 1.555 ( 0.243 0.000 12.827) 12.830 1.638 ( 1.596 -0.000 2.484) 2.953 1.641 ( 2.168 0.000 1.931) 2.903 1.951 ( -3.176 -0.000 9.690) 10.197 1.966 ( -2.361 0.000 13.362) 13.569 2.137 ( -1.570 -0.000 -5.380) 5.604 2.151 ( -0.813 -0.000 -4.819) 4.887 2.286 ( -1.703 -0.000 -2.640) 3.142 2.336 ( -0.139 0.000 -1.377) 1.384 2.349 ( 0.569 -0.000 0.654) 0.867 2.379 ( 0.877 -0.000 7.251) 7.304 2.520 ( -2.535 -0.000 0.498) 2.583 2.609 ( -3.626 -0.000 0.901) 3.736 2.811 ( 5.733 0.000 4.550) 7.319 2.857 ( 4.456 -0.000 0.877) 4.541 2.898 ( -3.030 0.000 3.130) 4.357 3.053 ( -4.312 0.000 5.917) 7.321 3.240 ( 7.030 0.000 -5.744) 9.078 3.438 ( -2.256 -0.000 -5.393) 5.846 3.475 ( 6.156 0.000 4.763) 7.784 3.540 ( 1.184 0.000 -0.921) 1.500 4.140 ( -3.891 -0.000 -3.772) 5.419 4.152 ( -2.664 0.000 -3.720) 4.575 4.443 ( 3.643 -0.000 -2.361) 4.341 4.448 ( 4.446 0.000 -2.464) 5.083 4.520 ( -0.060 0.000 -7.986) 7.986 4.551 ( 0.021 0.000 -4.701) 4.701 4.773 ( -2.920 0.000 -5.940) 6.620 4.845 ( -1.940 -0.000 -7.796) 8.034 5.189 ( -4.389 -0.000 1.891) 4.779 5.224 ( -8.347 0.000 0.412) 8.357 5.499 ( 0.364 0.000 0.829) 0.905 5.507 ( 8.919 -0.000 -1.555) 9.054 5.547 ( 4.487 -0.000 -4.492) 6.349 5.650 ( 2.747 0.000 -0.409) 2.778 5.750 ( -0.817 0.000 4.603) 4.675 5.871 ( 2.582 0.000 7.210) 7.659 6.445 ( 4.287 0.000 -3.021) 5.244 6.481 ( 5.382 0.000 -1.410) 5.564 7.064 ( -7.459 0.000 -7.517) 10.590 7.102 ( -6.147 -0.000 -5.602) 8.317 7.521 ( -0.013 0.000 -14.373) 14.373 7.528 ( 0.117 -0.000 -15.283) 15.284 8.970 ( 0.004 -0.000 7.714) 7.714 8.973 ( 0.004 0.000 6.483) 6.483 9.283 ( 0.132 -0.000 14.139) 14.139 9.295 ( 0.367 0.000 13.555) 13.560 10.371 ( -2.949 0.000 -6.332) 6.985 10.428 ( -2.866 0.000 -6.259) 6.884 10.765 ( -1.552 0.000 -1.131) 1.920 11.083 ( 5.799 0.000 7.486) 9.470 11.119 ( -4.502 0.000 -0.884) 4.588 11.354 ( 2.203 -0.000 7.000) 7.338 12.604 ( 0.064 0.000 -5.193) 5.194 12.632 ( 0.798 -0.000 -4.787) 4.853 12.871 ( -3.141 0.000 2.679) 4.128 12.875 ( -3.931 -0.000 3.426) 5.214 13.117 ( 3.662 0.000 -2.761) 4.586 13.151 ( 3.640 0.000 -1.373) 3.890 ======================= Grid point 69 (30/75) ======================= q-point: ( 0.40 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( 0.715 0.000 10.022) 10.047 1.517 ( -3.333 0.000 12.032) 12.485 1.678 ( 1.780 0.000 1.623) 2.409 1.685 ( 1.343 -0.000 1.835) 2.274 1.913 ( -0.302 -0.000 10.944) 10.948 1.927 ( -1.400 -0.000 13.396) 13.469 2.113 ( -0.310 0.000 -6.018) 6.026 2.127 ( -1.359 -0.000 -5.733) 5.892 2.270 ( 0.576 -0.000 -2.534) 2.598 2.308 ( -2.475 0.000 -0.638) 2.556 2.365 ( 0.861 0.000 0.948) 1.280 2.379 ( -0.526 0.000 4.139) 4.172 2.506 ( 0.809 -0.000 2.574) 2.699 2.541 ( -2.617 0.000 2.879) 3.891 2.860 ( -0.359 -0.000 7.126) 7.135 2.870 ( -0.435 0.000 7.985) 7.997 2.949 ( 3.816 0.000 -3.727) 5.334 2.996 ( -0.990 0.000 -2.527) 2.714 3.368 ( 4.197 -0.000 -4.672) 6.281 3.461 ( -4.471 0.000 -0.407) 4.489 3.486 ( 6.988 0.000 -0.931) 7.050 3.582 ( -0.674 0.000 2.597) 2.683 4.072 ( -1.521 0.000 -6.433) 6.610 4.092 ( -2.800 -0.000 -5.498) 6.170 4.517 ( 2.459 0.000 -4.422) 5.060 4.525 ( 1.095 -0.000 -7.180) 7.263 4.558 ( 3.457 -0.000 0.329) 3.473 4.559 ( 1.375 0.000 -0.953) 1.673 4.733 ( -0.213 0.000 -4.145) 4.151 4.783 ( -3.709 0.000 -5.599) 6.716 5.080 ( -4.562 -0.000 0.225) 4.567 5.083 ( -4.512 0.000 2.120) 4.985 5.568 ( 4.450 0.000 -0.949) 4.550 5.611 ( 0.689 0.000 -0.059) 0.692 5.615 ( 2.687 -0.000 -3.637) 4.521 5.663 ( -1.425 0.000 -2.976) 3.300 5.802 ( 5.319 0.000 4.306) 6.844 5.882 ( -1.814 0.000 5.774) 6.053 6.570 ( 7.033 0.000 -3.853) 8.020 6.605 ( 5.248 0.000 -2.421) 5.780 6.904 ( -6.240 0.000 -6.158) 8.767 6.943 ( -8.262 -0.000 -4.519) 9.417 7.522 ( 0.135 0.000 -14.363) 14.364 7.526 ( -0.229 -0.000 -14.820) 14.822 8.971 ( 0.021 -0.000 6.668) 6.668 8.972 ( -0.071 0.000 5.898) 5.898 9.290 ( 0.501 -0.000 14.561) 14.570 9.298 ( -0.145 0.000 14.194) 14.194 10.330 ( -0.750 0.000 -9.160) 9.190 10.354 ( -3.118 0.000 -9.882) 10.362 10.811 ( 5.126 0.000 6.989) 8.667 10.943 ( -7.780 0.000 11.890) 14.209 11.259 ( 6.656 0.000 -3.055) 7.323 11.351 ( -2.443 -0.000 2.143) 3.250 12.616 ( 1.082 0.000 -5.147) 5.259 12.636 ( -0.532 -0.000 -5.070) 5.098 12.815 ( -1.457 0.000 3.510) 3.800 12.820 ( -1.668 -0.000 3.130) 3.547 13.183 ( 2.348 0.000 -2.215) 3.228 13.199 ( 0.856 0.000 -1.616) 1.828 ======================= Grid point 90 (31/75) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( 0.000 0.000 12.458) 12.458 0.937 ( 0.000 0.000 20.816) 20.816 1.568 ( 0.000 0.000 -7.680) 7.680 1.791 ( 0.000 0.000 -8.271) 8.271 1.842 ( 0.000 0.000 25.737) 25.737 1.972 ( 0.000 0.000 42.642) 42.642 2.111 ( 0.000 0.000 4.438) 4.438 2.143 ( 0.000 0.000 0.446) 0.446 2.461 ( 0.000 0.000 -3.826) 3.826 2.495 ( 0.000 0.000 8.698) 8.698 2.583 ( 0.000 0.000 -3.768) 3.768 2.822 ( 0.000 0.000 12.229) 12.229 2.906 ( 0.000 0.000 3.370) 3.370 3.055 ( 0.000 0.000 5.640) 5.640 3.090 ( 0.000 0.000 4.580) 4.580 3.202 ( 0.000 0.000 0.219) 0.219 3.212 ( 0.000 0.000 -2.566) 2.566 3.425 ( 0.000 0.000 0.768) 0.768 3.444 ( 0.000 0.000 8.317) 8.317 3.554 ( 0.000 0.000 -4.320) 4.320 3.781 ( 0.000 0.000 -0.605) 0.605 3.839 ( 0.000 0.000 -2.845) 2.845 3.863 ( 0.000 0.000 -13.799) 13.799 4.025 ( 0.000 0.000 -5.408) 5.408 4.265 ( 0.000 0.000 -1.021) 1.021 4.393 ( 0.000 0.000 3.133) 3.133 4.418 ( 0.000 0.000 1.061) 1.061 4.621 ( 0.000 0.000 -3.716) 3.716 4.822 ( 0.000 0.000 0.471) 0.471 4.964 ( 0.000 0.000 -12.097) 12.097 5.018 ( 0.000 0.000 0.838) 0.838 5.185 ( 0.000 0.000 -5.567) 5.567 5.207 ( 0.000 0.000 5.124) 5.124 5.219 ( 0.000 0.000 -23.595) 23.595 5.481 ( 0.000 0.000 -5.689) 5.689 5.558 ( 0.000 0.000 -0.845) 0.845 5.949 ( 0.000 0.000 1.623) 1.623 6.181 ( 0.000 0.000 -4.567) 4.567 6.202 ( 0.000 0.000 -1.328) 1.328 6.225 ( 0.000 0.000 -3.920) 3.920 6.489 ( 0.000 0.000 6.334) 6.334 6.499 ( 0.000 0.000 -7.756) 7.756 6.644 ( 0.000 0.000 -9.335) 9.335 7.758 ( 0.000 0.000 -16.258) 16.258 8.949 ( 0.000 0.000 7.858) 7.858 9.189 ( 0.000 0.000 6.411) 6.411 9.348 ( 0.000 0.000 -0.632) 0.632 9.750 ( 0.000 0.000 -12.258) 12.258 9.907 ( 0.000 0.000 -1.273) 1.273 10.211 ( 0.000 0.000 -4.044) 4.044 10.330 ( 0.000 0.000 15.247) 15.247 11.314 ( 0.000 0.000 -1.424) 1.424 11.530 ( 0.000 0.000 17.470) 17.470 12.234 ( 0.000 0.000 -4.499) 4.499 12.457 ( 0.000 0.000 2.119) 2.119 12.715 ( 0.000 0.000 5.876) 5.876 12.758 ( 0.000 0.000 -3.305) 3.305 12.885 ( 0.000 0.000 8.957) 8.957 12.900 ( 0.000 0.000 -3.580) 3.580 13.644 ( 0.000 0.000 -7.198) 7.198 ======================= Grid point 91 (32/75) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( 19.398 0.000 7.209) 20.694 1.025 ( 8.302 0.000 18.018) 19.838 1.572 ( -0.842 0.000 -2.714) 2.842 1.756 ( -4.661 0.000 -4.684) 6.608 1.836 ( 0.410 0.000 22.877) 22.881 1.979 ( 0.442 0.000 38.996) 38.999 2.042 ( -4.576 0.000 2.499) 5.214 2.143 ( -0.617 0.000 0.197) 0.648 2.401 ( -1.862 0.000 0.180) 1.870 2.575 ( -0.321 0.000 -4.347) 4.359 2.587 ( 4.878 0.000 8.224) 9.562 2.825 ( 0.032 0.000 12.703) 12.703 2.945 ( 2.770 0.000 2.295) 3.597 3.013 ( -2.769 0.000 5.689) 6.327 3.084 ( -0.688 0.000 5.189) 5.235 3.113 ( -5.664 0.000 0.668) 5.703 3.194 ( -2.686 0.000 -5.000) 5.676 3.315 ( -4.233 0.000 -2.776) 5.062 3.543 ( 5.937 0.000 2.150) 6.314 3.647 ( -10.437 0.000 -1.559) 10.553 3.685 ( -12.256 0.000 0.868) 12.287 3.687 ( 8.649 0.000 3.745) 9.425 3.848 ( -1.461 0.000 -12.094) 12.182 4.016 ( -0.872 0.000 -4.550) 4.632 4.261 ( 1.641 0.000 2.524) 3.011 4.379 ( -1.768 0.000 3.540) 3.957 4.590 ( 10.512 0.000 -2.546) 10.816 4.653 ( 2.962 0.000 -4.652) 5.515 4.804 ( -0.445 0.000 -2.582) 2.620 4.926 ( -3.631 0.000 -10.583) 11.189 5.069 ( 4.238 0.000 2.062) 4.713 5.188 ( 0.978 0.000 -10.968) 11.012 5.224 ( 0.856 0.000 4.836) 4.911 5.242 ( 1.295 0.000 -17.787) 17.834 5.481 ( 0.078 0.000 -5.242) 5.243 5.545 ( -1.169 0.000 -0.491) 1.268 5.990 ( 4.008 0.000 1.591) 4.312 6.195 ( 2.412 0.000 -5.498) 6.004 6.241 ( 3.344 0.000 -0.266) 3.355 6.435 ( 4.862 0.000 -7.438) 8.886 6.437 ( -4.506 0.000 2.723) 5.265 6.513 ( 13.447 0.000 -10.328) 16.955 6.612 ( -3.248 0.000 -8.101) 8.728 7.657 ( -9.957 0.000 -16.101) 18.931 9.022 ( 6.947 0.000 5.035) 8.580 9.201 ( 1.222 0.000 5.477) 5.611 9.330 ( -1.714 0.000 -0.235) 1.730 9.643 ( -9.258 0.000 -10.065) 13.676 9.943 ( 3.570 0.000 0.433) 3.596 10.285 ( -4.337 0.000 13.539) 14.217 10.300 ( 7.591 0.000 -3.238) 8.253 11.011 ( -17.208 0.000 6.216) 18.296 11.876 ( 21.610 0.000 8.656) 23.279 12.277 ( 4.049 0.000 -3.397) 5.285 12.459 ( -0.015 0.000 1.878) 1.878 12.715 ( 0.049 0.000 5.983) 5.983 12.748 ( -1.539 0.000 -3.433) 3.762 12.850 ( -3.204 0.000 8.469) 9.055 12.899 ( 0.118 0.000 -2.829) 2.832 13.428 ( -18.543 0.000 0.513) 18.550 ======================= Grid point 92 (33/75) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( 12.239 0.000 12.918) 17.795 1.257 ( 18.837 0.000 4.468) 19.360 1.470 ( -9.627 0.000 7.224) 12.036 1.577 ( -12.882 0.000 4.462) 13.633 1.884 ( 3.857 0.000 17.008) 17.440 1.959 ( -2.825 0.000 24.681) 24.842 2.020 ( 2.798 0.000 -1.123) 3.015 2.100 ( -3.789 0.000 -0.263) 3.798 2.428 ( 4.496 0.000 1.962) 4.905 2.528 ( -4.161 0.000 -1.420) 4.397 2.699 ( 5.683 0.000 10.889) 12.283 2.796 ( -3.446 0.000 12.719) 13.177 2.979 ( 0.920 0.000 -1.901) 2.112 3.001 ( 2.105 0.000 6.751) 7.071 3.017 ( -3.366 0.000 0.174) 3.371 3.058 ( -2.251 0.000 7.229) 7.571 3.183 ( 1.796 0.000 -7.793) 7.997 3.241 ( -3.521 0.000 -4.843) 5.988 3.464 ( -5.990 0.000 -1.068) 6.085 3.471 ( -6.860 0.000 2.440) 7.281 3.664 ( 5.812 0.000 0.593) 5.842 3.761 ( -3.206 0.000 0.238) 3.214 3.878 ( 6.070 0.000 -3.714) 7.117 3.979 ( -3.355 0.000 -2.485) 4.176 4.299 ( 2.065 0.000 4.628) 5.068 4.341 ( -2.015 0.000 4.273) 4.724 4.731 ( 4.774 0.000 -6.450) 8.024 4.745 ( 4.961 0.000 -5.147) 7.149 4.799 ( -0.899 0.000 -5.784) 5.853 4.834 ( -5.209 0.000 -8.349) 9.841 5.161 ( 4.278 0.000 3.584) 5.581 5.220 ( -1.488 0.000 4.331) 4.580 5.223 ( 2.049 0.000 -12.832) 12.995 5.251 ( -0.527 0.000 -14.728) 14.737 5.489 ( 0.857 0.000 -3.232) 3.344 5.516 ( -1.606 0.000 -0.820) 1.803 6.103 ( 7.080 0.000 2.267) 7.434 6.245 ( -5.620 0.000 5.263) 7.700 6.269 ( 4.781 0.000 -6.470) 8.044 6.372 ( -5.046 0.000 -7.164) 8.763 6.405 ( 4.108 0.000 -6.939) 8.064 6.519 ( -5.823 0.000 -6.892) 9.022 6.957 ( 23.188 0.000 -15.489) 27.885 7.374 ( -18.038 0.000 -15.998) 24.110 9.203 ( 10.715 0.000 -0.640) 10.734 9.236 ( 2.228 0.000 3.310) 3.990 9.285 ( -2.531 0.000 1.123) 2.770 9.429 ( -11.497 0.000 -5.876) 12.911 10.042 ( 6.077 0.000 4.554) 7.594 10.172 ( -6.534 0.000 9.412) 11.458 10.479 ( 10.155 0.000 0.089) 10.156 10.709 ( -13.132 0.000 4.327) 13.826 12.303 ( 20.614 0.000 6.047) 21.482 12.373 ( 4.832 0.000 -1.080) 4.951 12.443 ( -1.936 0.000 0.903) 2.136 12.643 ( -11.180 0.000 -0.357) 11.185 12.725 ( 1.287 0.000 6.440) 6.568 12.775 ( -3.658 0.000 7.384) 8.241 12.923 ( 2.961 0.000 -0.425) 2.992 13.069 ( -13.599 0.000 4.710) 14.391 ======================= Grid point 95 (34/75) ======================= q-point: ( 0.00 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( 0.000 12.916 9.826) 16.229 1.054 ( 0.000 10.783 17.301) 20.386 1.582 ( 0.000 1.796 -5.424) 5.714 1.740 ( 0.000 -4.064 -4.907) 6.371 1.920 ( 0.000 7.098 23.446) 24.497 2.061 ( 0.000 -3.673 2.967) 4.722 2.081 ( 0.000 8.568 33.654) 34.727 2.149 ( 0.000 2.004 3.865) 4.354 2.464 ( 0.000 -3.303 9.830) 10.370 2.468 ( 0.000 0.065 -3.445) 3.446 2.537 ( 0.000 -4.177 -1.827) 4.559 2.800 ( 0.000 -1.974 11.605) 11.772 2.833 ( 0.000 -6.755 7.097) 9.798 2.938 ( 0.000 -12.728 3.781) 13.278 2.966 ( 0.000 -4.028 0.187) 4.032 3.190 ( 0.000 -1.580 0.286) 1.605 3.223 ( 0.000 -1.996 2.301) 3.046 3.415 ( 0.000 -2.541 4.209) 4.916 3.447 ( 0.000 0.353 3.052) 3.073 3.521 ( 0.000 -4.960 -1.617) 5.217 3.765 ( 0.000 1.209 -4.451) 4.612 3.879 ( 0.000 0.520 -13.287) 13.298 3.895 ( 0.000 -6.546 -4.478) 7.931 3.924 ( 0.000 1.869 -5.643) 5.945 4.299 ( 0.000 2.108 -1.918) 2.850 4.363 ( 0.000 -2.075 0.972) 2.292 4.416 ( 0.000 -1.556 0.256) 1.577 4.608 ( 0.000 0.293 -6.578) 6.584 4.748 ( 0.000 -13.627 -10.104) 16.964 4.942 ( 0.000 9.507 3.470) 10.121 4.986 ( 0.000 -4.337 -1.039) 4.459 5.208 ( 0.000 1.676 1.312) 2.128 5.224 ( 0.000 0.446 -22.016) 22.021 5.338 ( 0.000 8.340 -3.288) 8.965 5.509 ( 0.000 -4.329 -0.270) 4.338 5.549 ( 0.000 5.314 -5.330) 7.526 5.910 ( 0.000 -3.033 2.272) 3.789 6.067 ( 0.000 -4.037 3.436) 5.301 6.222 ( 0.000 0.279 -4.093) 4.103 6.335 ( 0.000 5.031 -5.817) 7.691 6.560 ( 0.000 7.204 3.490) 8.004 6.587 ( 0.000 8.070 -8.042) 11.393 6.764 ( 0.000 9.586 -13.510) 16.566 7.672 ( 0.000 -7.616 -15.838) 17.574 8.963 ( 0.000 1.861 8.915) 9.107 9.281 ( 0.000 7.042 8.971) 11.405 9.343 ( 0.000 -0.493 0.415) 0.645 9.822 ( 0.000 5.702 -8.585) 10.306 9.978 ( 0.000 7.408 -4.658) 8.751 10.220 ( 0.000 0.926 -4.795) 4.883 10.271 ( 0.000 -4.678 12.558) 13.401 11.169 ( 0.000 -12.553 -2.661) 12.832 11.504 ( 0.000 -2.394 17.446) 17.609 12.244 ( 0.000 0.973 -4.907) 5.003 12.476 ( 0.000 -1.300 2.995) 3.265 12.727 ( 0.000 -2.807 -0.925) 2.956 12.737 ( 0.000 2.184 5.369) 5.796 12.891 ( 0.000 1.582 5.959) 6.165 12.919 ( 0.000 1.691 -3.419) 3.814 13.480 ( 0.000 -13.193 -2.092) 13.357 ======================= Grid point 96 (35/75) ======================= q-point: ( 0.20 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( 11.526 6.046 9.381) 16.044 1.154 ( 9.343 10.351 13.371) 19.319 1.573 ( -2.359 0.471 -0.292) 2.423 1.720 ( -2.642 -2.532 -4.084) 5.484 1.903 ( -0.980 6.186 22.608) 23.459 2.003 ( -3.100 -0.123 10.454) 10.905 2.101 ( 0.485 5.294 15.926) 16.790 2.162 ( 0.814 4.386 7.593) 8.806 2.392 ( -1.589 -1.357 1.475) 2.558 2.540 ( 0.046 -3.774 -1.039) 3.915 2.570 ( 5.189 -1.594 6.795) 8.697 2.795 ( -0.736 -2.695 11.985) 12.306 2.853 ( 1.171 -7.898 5.776) 9.854 2.926 ( -1.125 -11.644 3.115) 12.106 2.970 ( 0.381 -2.897 1.885) 3.478 3.117 ( -6.504 -1.301 0.194) 6.636 3.169 ( -1.998 -2.203 -2.619) 3.963 3.312 ( -3.244 -2.550 0.560) 4.164 3.552 ( 0.984 0.378 1.559) 1.882 3.581 ( -0.754 -5.681 1.859) 6.025 3.670 ( -1.269 -1.674 -1.324) 2.483 3.763 ( -9.077 5.172 -0.524) 10.460 3.861 ( -2.178 -0.438 -11.684) 11.893 3.947 ( 1.960 -3.887 -5.570) 7.070 4.300 ( 1.186 2.721 1.736) 3.439 4.361 ( -0.850 -1.453 1.689) 2.385 4.501 ( 5.610 -4.966 -4.357) 8.668 4.662 ( 4.422 -1.193 -6.637) 8.064 4.727 ( -2.139 -9.627 -8.884) 13.273 4.916 ( -2.771 -0.028 -6.101) 6.701 5.028 ( 5.453 1.935 4.730) 7.473 5.229 ( 1.627 0.516 -17.094) 17.179 5.275 ( 2.750 4.847 1.627) 5.806 5.344 ( 0.700 7.544 -5.167) 9.171 5.498 ( -0.817 -2.455 -1.813) 3.159 5.547 ( -0.381 3.599 -3.590) 5.097 5.940 ( 3.448 -4.145 1.788) 5.680 6.117 ( 2.699 -4.616 1.515) 5.558 6.279 ( 4.887 1.021 -3.281) 5.974 6.372 ( 2.451 0.272 -5.199) 5.755 6.555 ( -2.350 8.083 -5.509) 10.060 6.566 ( -0.236 5.849 -2.373) 6.317 6.789 ( 4.675 11.424 -14.996) 19.423 7.587 ( -8.442 -6.297 -15.763) 18.958 9.018 ( 5.128 0.577 6.860) 8.584 9.265 ( -1.216 2.670 5.740) 6.447 9.360 ( 1.307 4.320 2.571) 5.194 9.717 ( -8.743 6.113 -6.737) 12.618 9.993 ( 1.579 5.245 -2.897) 6.197 10.209 ( -2.561 -5.194 9.187) 10.860 10.335 ( 6.718 2.197 -1.889) 7.316 10.960 ( -13.889 -5.049 2.496) 14.988 11.737 ( 16.130 -10.390 11.701) 22.473 12.277 ( 2.523 -1.428 -2.716) 3.973 12.472 ( -0.299 -2.147 2.652) 3.425 12.694 ( -2.693 -1.485 0.933) 3.213 12.743 ( 0.201 1.004 3.151) 3.313 12.868 ( -2.294 1.542 4.878) 5.607 12.933 ( 1.442 3.184 -2.288) 4.177 13.341 ( -11.885 -6.972 1.038) 13.818 ======================= Grid point 97 (36/75) ======================= q-point: ( 0.40 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( 14.125 -0.621 8.855) 16.683 1.383 ( 12.074 6.564 8.089) 15.946 1.431 ( -10.980 -1.717 6.508) 12.879 1.610 ( -8.889 2.685 3.530) 9.934 1.913 ( 1.867 3.129 17.116) 17.499 1.957 ( -2.058 0.737 12.856) 13.040 2.113 ( 1.669 5.604 3.152) 6.642 2.158 ( -1.731 6.053 3.830) 7.369 2.427 ( 4.581 -0.580 2.982) 5.497 2.515 ( -3.047 -2.024 -0.268) 3.668 2.670 ( 4.740 -2.681 10.306) 11.656 2.754 ( -3.456 -3.883 11.068) 12.228 2.876 ( 1.575 -9.094 3.942) 10.036 2.905 ( -0.993 -9.941 2.301) 10.252 2.972 ( 0.093 -2.772 2.031) 3.438 3.003 ( -3.717 -1.535 -0.627) 4.070 3.207 ( 4.960 0.036 -4.579) 6.750 3.283 ( -0.528 1.699 -0.729) 1.922 3.407 ( -6.278 -4.329 -0.824) 7.670 3.465 ( -9.715 0.219 2.747) 10.098 3.682 ( 3.315 -0.520 0.792) 3.448 3.742 ( -1.509 -2.855 2.188) 3.900 3.870 ( 4.205 -0.140 -6.989) 8.157 3.947 ( -2.207 -1.949 -3.658) 4.696 4.325 ( 1.315 1.867 3.479) 4.161 4.348 ( -0.749 1.104 2.925) 3.215 4.598 ( 4.177 -6.517 -7.039) 10.463 4.670 ( -3.012 -7.005 -8.286) 11.261 4.759 ( 4.472 -4.430 -7.596) 9.865 4.844 ( -4.065 -3.180 -7.732) 9.297 5.157 ( 6.020 3.508 1.662) 7.163 5.238 ( -1.720 2.783 -6.958) 7.689 5.314 ( 2.069 5.163 -1.371) 5.728 5.350 ( -0.844 5.996 -5.911) 8.462 5.496 ( 0.956 -0.037 -2.313) 2.503 5.527 ( -1.616 1.946 -2.532) 3.580 6.037 ( 5.555 -4.954 1.635) 7.621 6.126 ( -2.367 -5.783 2.033) 6.571 6.378 ( 4.293 3.856 -4.443) 7.283 6.408 ( 2.194 1.473 -7.340) 7.801 6.486 ( -3.161 8.268 -5.871) 10.622 6.524 ( -4.231 2.688 -4.036) 6.435 7.020 ( 16.438 4.823 -16.355) 23.684 7.348 ( -15.038 -2.430 -15.901) 22.020 9.140 ( 6.188 -2.017 3.451) 7.367 9.230 ( -2.705 -1.628 3.045) 4.387 9.403 ( 3.762 8.727 2.079) 9.728 9.532 ( -8.815 7.758 -2.559) 12.018 10.047 ( 3.797 0.782 2.081) 4.400 10.134 ( -4.529 -3.023 7.279) 9.090 10.498 ( 9.257 1.882 -1.439) 9.555 10.704 ( -11.523 -0.392 1.543) 11.632 12.046 ( 14.041 -15.422 9.963) 23.114 12.260 ( -6.235 -12.365 5.973) 15.081 12.508 ( 4.933 0.408 -1.256) 5.106 12.620 ( -4.939 -0.498 -0.774) 5.024 12.755 ( 1.347 2.122 3.580) 4.374 12.806 ( -3.493 2.424 4.218) 5.989 12.983 ( 3.883 4.991 -0.356) 6.334 13.109 ( -9.440 2.876 2.111) 10.092 ======================= Grid point 100 (37/75) ======================= q-point: ( 0.00 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( 0.000 15.857 6.749) 17.233 1.324 ( 0.000 14.559 11.879) 18.790 1.660 ( 0.000 6.341 -3.640) 7.311 1.681 ( 0.000 -0.258 1.478) 1.500 2.006 ( 0.000 -0.287 1.382) 1.411 2.109 ( 0.000 10.309 19.211) 21.802 2.112 ( 0.000 -2.358 2.919) 3.753 2.281 ( 0.000 -3.312 6.674) 7.451 2.415 ( 0.000 7.740 21.742) 23.079 2.439 ( 0.000 -3.763 -1.147) 3.934 2.461 ( 0.000 -2.647 6.156) 6.701 2.634 ( 0.000 -15.527 5.365) 16.428 2.729 ( 0.000 -2.739 4.611) 5.363 2.756 ( 0.000 -2.575 8.418) 8.803 2.892 ( 0.000 -3.767 0.126) 3.769 3.126 ( 0.000 -5.673 -1.298) 5.819 3.145 ( 0.000 -4.546 4.446) 6.359 3.319 ( 0.000 -10.088 3.010) 10.527 3.342 ( 0.000 -4.248 1.842) 4.630 3.451 ( 0.000 -3.098 5.530) 6.339 3.632 ( 0.000 -14.632 -4.938) 15.443 3.823 ( 0.000 -0.488 -7.943) 7.958 3.866 ( 0.000 1.260 -12.839) 12.901 4.038 ( 0.000 4.952 -5.725) 7.570 4.295 ( 0.000 -1.940 -7.138) 7.397 4.339 ( 0.000 -0.223 -5.147) 5.152 4.362 ( 0.000 -2.990 -3.476) 4.585 4.531 ( 0.000 -7.405 -10.509) 12.856 4.622 ( 0.000 0.637 -6.663) 6.694 4.893 ( 0.000 -4.486 0.085) 4.486 5.148 ( 0.000 10.101 6.532) 12.029 5.233 ( 0.000 0.368 -18.103) 18.107 5.236 ( 0.000 0.905 -0.536) 1.051 5.417 ( 0.000 -2.935 1.103) 3.136 5.480 ( 0.000 5.036 -2.363) 5.563 5.641 ( 0.000 3.021 -2.424) 3.874 5.862 ( 0.000 -1.056 3.863) 4.005 6.021 ( 0.000 -1.087 8.306) 8.376 6.249 ( 0.000 2.278 -4.575) 5.110 6.395 ( 0.000 1.394 -3.269) 3.554 6.739 ( 0.000 9.189 -3.552) 9.852 6.776 ( 0.000 9.491 -9.232) 13.240 6.953 ( 0.000 8.184 -16.770) 18.660 7.495 ( 0.000 -9.085 -15.376) 17.860 9.023 ( 0.000 3.688 11.181) 11.774 9.320 ( 0.000 -2.007 4.169) 4.626 9.405 ( 0.000 4.816 13.198) 14.049 9.868 ( 0.000 -3.548 9.086) 9.754 10.200 ( 0.000 12.161 -8.641) 14.918 10.241 ( 0.000 3.804 -2.803) 4.725 10.254 ( 0.000 4.075 -8.051) 9.023 10.890 ( 0.000 -13.399 -6.070) 14.709 11.445 ( 0.000 -2.964 17.446) 17.696 12.277 ( 0.000 2.594 -5.891) 6.437 12.283 ( 0.000 -16.552 10.129) 19.405 12.704 ( 0.000 -0.755 -3.973) 4.044 12.804 ( 0.000 4.395 4.208) 6.085 12.935 ( 0.000 2.009 3.447) 3.990 12.959 ( 0.000 2.027 -3.161) 3.755 13.240 ( 0.000 -9.053 -0.059) 9.054 ======================= Grid point 101 (38/75) ======================= q-point: ( 0.20 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( 4.557 13.820 6.884) 16.098 1.380 ( 4.997 11.035 9.795) 15.578 1.614 ( -4.939 4.449 1.473) 6.809 1.708 ( 1.569 2.398 -0.542) 2.916 1.988 ( -0.761 0.562 3.967) 4.078 2.063 ( -3.240 6.338 15.341) 16.912 2.137 ( 1.331 1.286 4.238) 4.625 2.312 ( 2.677 -4.609 6.182) 8.162 2.358 ( -2.930 5.972 11.111) 12.951 2.435 ( -0.714 -4.523 2.277) 5.114 2.525 ( 3.846 -2.198 10.228) 11.146 2.631 ( -0.397 -14.091 5.650) 15.187 2.737 ( 0.250 -2.824 4.531) 5.345 2.749 ( -0.805 -3.381 6.780) 7.619 2.919 ( 2.334 -2.467 2.142) 4.015 3.055 ( -4.167 -4.496 0.502) 6.151 3.123 ( -4.576 -2.512 -1.704) 5.491 3.203 ( -1.068 -6.721 2.230) 7.162 3.426 ( 1.964 -8.012 4.364) 9.332 3.522 ( -2.408 -10.809 1.268) 11.147 3.568 ( 2.339 -1.898 -1.930) 3.578 3.811 ( -5.869 -2.866 -1.806) 6.776 3.854 ( -0.057 2.521 -10.884) 11.172 3.949 ( -3.817 2.722 -9.474) 10.571 4.310 ( 1.267 -0.993 -3.404) 3.765 4.351 ( 1.403 0.009 -3.797) 4.048 4.418 ( 4.412 -3.657 -7.399) 9.359 4.540 ( 1.305 -5.745 -9.894) 11.515 4.653 ( 0.837 -0.675 -7.306) 7.385 4.862 ( -3.304 -3.181 0.120) 4.588 5.129 ( 1.710 4.236 4.259) 6.246 5.224 ( 1.167 -0.737 -13.412) 13.483 5.374 ( 6.436 4.225 -0.313) 7.706 5.444 ( 1.655 -0.520 0.894) 1.951 5.470 ( 0.202 4.387 -2.877) 5.250 5.625 ( -1.639 2.933 -3.380) 4.766 5.863 ( 1.626 -2.441 4.142) 5.075 6.051 ( 1.361 -1.833 6.554) 6.940 6.306 ( 5.448 1.998 -4.376) 7.268 6.407 ( 1.384 1.913 -4.085) 4.718 6.703 ( -3.346 7.275 -3.837) 8.879 6.744 ( -3.168 9.264 -8.648) 13.063 6.988 ( 3.772 7.924 -17.112) 19.231 7.439 ( -5.536 -7.659 -15.427) 18.091 9.052 ( 2.860 2.562 9.965) 10.679 9.272 ( -3.283 -1.080 5.791) 6.744 9.462 ( 4.056 4.124 11.227) 12.630 9.798 ( -6.313 -0.582 7.544) 9.854 10.125 ( -4.630 2.721 -4.666) 7.114 10.168 ( -2.838 6.835 -5.462) 9.198 10.404 ( 8.051 5.108 -5.595) 11.055 10.834 ( -5.024 -5.955 -4.625) 9.060 11.545 ( 8.898 -7.937 15.315) 19.410 12.159 ( -7.576 -12.451 7.957) 16.605 12.372 ( 4.705 -2.700 -2.256) 5.875 12.687 ( -2.490 -1.113 -4.077) 4.905 12.789 ( -0.517 3.296 3.968) 5.184 12.900 ( -2.208 1.594 1.898) 3.319 13.006 ( 3.288 3.375 -1.484) 4.941 13.213 ( -2.452 -4.949 -0.251) 5.529 ======================= Grid point 102 (39/75) ======================= q-point: ( 0.40 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( 9.352 9.357 6.445) 14.716 1.447 ( -7.826 4.836 6.363) 11.186 1.527 ( 6.330 6.950 4.390) 10.375 1.678 ( -5.694 4.081 2.090) 7.310 1.983 ( 0.011 1.629 8.713) 8.863 2.000 ( -1.988 4.324 14.927) 15.668 2.195 ( 4.633 2.758 2.427) 5.912 2.290 ( -4.092 4.098 5.316) 7.861 2.376 ( 2.909 -5.053 4.987) 7.672 2.418 ( -1.227 -6.560 3.564) 7.566 2.585 ( 2.173 -5.758 7.706) 9.862 2.617 ( -1.082 -10.025 5.877) 11.671 2.728 ( -0.732 -5.001 4.817) 6.982 2.731 ( -0.701 -3.891 3.411) 5.222 2.944 ( 0.232 -0.160 2.440) 2.456 2.971 ( -3.259 -1.323 -0.848) 3.618 3.131 ( 6.258 -7.322 -1.568) 9.759 3.283 ( 4.007 -3.277 1.873) 5.505 3.302 ( -5.286 -4.404 -2.197) 7.223 3.478 ( -8.433 -0.552 1.723) 8.625 3.619 ( 3.397 -2.823 2.573) 5.112 3.686 ( -3.538 -2.849 5.114) 6.840 3.867 ( 1.869 -0.289 -10.964) 11.126 3.911 ( -1.908 -2.006 -8.856) 9.279 4.350 ( 2.415 0.638 -1.638) 2.987 4.377 ( 0.299 0.295 -1.855) 1.902 4.497 ( 3.167 -3.346 -9.822) 10.849 4.547 ( -1.507 -4.155 -12.280) 13.051 4.678 ( 3.209 -2.191 -3.416) 5.174 4.770 ( -5.271 -2.406 -1.937) 6.109 5.195 ( 3.850 -1.898 0.532) 4.326 5.249 ( -0.449 -1.760 -6.292) 6.549 5.429 ( 1.518 5.135 0.539) 5.381 5.457 ( -0.118 5.328 2.645) 5.950 5.522 ( 2.859 2.834 -4.028) 5.695 5.578 ( -2.879 2.501 -4.595) 5.971 5.944 ( 5.502 -3.532 3.444) 7.390 6.036 ( -3.024 -2.884 4.603) 6.216 6.427 ( 5.210 2.093 -5.418) 7.802 6.453 ( 2.596 2.831 -6.254) 7.340 6.628 ( -2.808 5.946 -3.609) 7.501 6.659 ( -4.678 7.954 -6.787) 11.455 7.108 ( 8.129 3.530 -16.980) 19.154 7.288 ( -9.045 -3.201 -15.937) 18.602 9.126 ( 4.159 0.229 7.601) 8.667 9.205 ( -3.577 -1.051 6.217) 7.249 9.547 ( 4.574 4.547 9.524) 11.503 9.658 ( -6.752 3.174 7.421) 10.523 10.075 ( -0.238 1.293 -3.449) 3.692 10.106 ( -2.835 1.887 -2.873) 4.456 10.563 ( 7.806 4.839 -4.639) 10.289 10.711 ( -6.997 1.951 -3.944) 8.265 11.755 ( 11.415 -13.000 13.312) 21.829 11.977 ( -10.436 -14.655 11.729) 21.476 12.477 ( 5.840 -1.824 -3.460) 7.029 12.597 ( -5.853 -1.961 -3.181) 6.944 12.806 ( 1.937 2.568 2.281) 3.943 12.852 ( -2.478 2.073 1.971) 3.785 13.078 ( 3.784 3.718 -1.264) 5.454 13.152 ( -3.520 1.135 -0.774) 3.778 ======================= Grid point 105 (40/75) ======================= q-point: ( 0.00 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( 0.000 14.657 5.201) 15.552 1.573 ( 0.000 9.867 11.308) 15.008 1.795 ( 0.000 11.115 -0.562) 11.129 1.844 ( 0.000 11.207 -5.978) 12.701 1.955 ( 0.000 -11.620 8.738) 14.539 2.035 ( 0.000 2.523 1.171) 2.782 2.209 ( 0.000 -16.187 9.832) 18.939 2.235 ( 0.000 1.518 1.387) 2.057 2.326 ( 0.000 9.411 15.440) 18.082 2.386 ( 0.000 -5.566 0.700) 5.610 2.437 ( 0.000 -5.039 -1.058) 5.149 2.552 ( 0.000 1.311 9.358) 9.450 2.693 ( 0.000 -2.835 9.416) 9.833 2.708 ( 0.000 -2.150 7.355) 7.662 2.820 ( 0.000 -2.986 0.719) 3.072 2.943 ( 0.000 -10.472 0.778) 10.501 3.110 ( 0.000 1.636 5.307) 5.553 3.159 ( 0.000 -6.248 3.060) 6.957 3.291 ( 0.000 0.884 4.695) 4.778 3.356 ( 0.000 -4.870 3.658) 6.090 3.376 ( 0.000 -8.390 -3.775) 9.200 3.694 ( 0.000 -8.929 -6.164) 10.850 3.968 ( 0.000 5.765 -10.850) 12.286 4.097 ( 0.000 0.713 -6.159) 6.200 4.288 ( 0.000 1.309 -11.300) 11.376 4.310 ( 0.000 -1.793 -7.681) 7.887 4.343 ( 0.000 -0.056 -11.335) 11.335 4.397 ( 0.000 -6.201 -10.477) 12.174 4.641 ( 0.000 1.676 -4.248) 4.567 4.797 ( 0.000 -5.117 -0.203) 5.121 5.237 ( 0.000 0.117 -12.021) 12.022 5.244 ( 0.000 -0.029 -3.360) 3.360 5.324 ( 0.000 6.865 5.821) 9.001 5.405 ( 0.000 1.226 2.707) 2.972 5.558 ( 0.000 2.875 0.573) 2.932 5.656 ( 0.000 -1.258 1.088) 1.663 5.882 ( 0.000 2.807 5.491) 6.167 5.999 ( 0.000 -1.625 9.341) 9.481 6.304 ( 0.000 3.016 -4.188) 5.161 6.400 ( 0.000 -0.885 -2.562) 2.711 6.899 ( 0.000 6.278 -7.727) 9.956 6.933 ( 0.000 5.368 -10.169) 11.499 7.089 ( 0.000 5.689 -16.482) 17.436 7.327 ( 0.000 -7.354 -15.328) 17.001 9.100 ( 0.000 3.822 12.949) 13.501 9.260 ( 0.000 -3.829 9.402) 10.152 9.489 ( 0.000 4.160 14.762) 15.337 9.732 ( 0.000 -7.863 15.662) 17.525 10.286 ( 0.000 2.788 -5.566) 6.225 10.349 ( 0.000 3.831 -6.127) 7.226 10.503 ( 0.000 12.227 -15.438) 19.694 10.687 ( 0.000 -5.606 -11.644) 12.923 11.417 ( 0.000 1.465 18.053) 18.112 11.905 ( 0.000 -19.285 13.871) 23.755 12.356 ( 0.000 5.312 -6.966) 8.760 12.633 ( 0.000 -6.225 -6.226) 8.804 12.905 ( 0.000 5.288 3.165) 6.163 12.969 ( 0.000 1.454 1.663) 2.209 12.993 ( 0.000 1.257 -3.037) 3.287 13.114 ( 0.000 -4.496 -0.769) 4.561 ======================= Grid point 106 (41/75) ======================= q-point: ( 0.20 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( 2.790 14.507 4.813) 15.537 1.575 ( 0.577 8.943 9.990) 13.421 1.769 ( -3.771 9.319 -0.849) 10.089 1.829 ( -0.252 7.956 -0.399) 7.970 1.985 ( 1.299 -4.353 4.312) 6.263 2.027 ( -0.532 -2.964 4.108) 5.094 2.163 ( -2.917 -8.928 7.477) 12.005 2.242 ( 0.139 -1.519 2.358) 2.808 2.299 ( -1.221 4.366 14.172) 14.879 2.391 ( -0.167 -6.175 -2.481) 6.657 2.437 ( 0.253 -6.444 -0.060) 6.450 2.550 ( -1.121 3.475 13.578) 14.060 2.682 ( -1.100 -3.425 8.271) 9.019 2.708 ( -0.107 -1.004 7.692) 7.758 2.857 ( 3.307 -3.936 -1.126) 5.263 2.945 ( -0.493 -5.454 2.404) 5.981 3.073 ( -4.948 -2.235 -1.113) 5.542 3.134 ( 1.611 -1.100 5.045) 5.409 3.263 ( -5.216 -7.897 -2.605) 9.816 3.324 ( 6.206 -3.391 7.947) 10.638 3.528 ( 7.268 -1.870 -2.005) 7.768 3.682 ( -2.328 -8.420 -1.712) 8.902 3.931 ( -3.076 4.190 -11.791) 12.886 4.000 ( -7.866 1.575 -8.572) 11.740 4.294 ( 1.489 -0.972 -10.647) 10.795 4.346 ( 1.137 -1.028 -9.563) 9.685 4.362 ( 4.438 -1.141 -8.900) 10.010 4.460 ( 3.877 -2.556 -10.123) 11.137 4.657 ( 0.573 1.243 -4.384) 4.592 4.792 ( -0.322 -4.092 3.292) 5.261 5.174 ( -2.968 0.995 1.317) 3.396 5.215 ( -2.673 0.244 -6.516) 7.047 5.428 ( 8.040 1.596 -3.329) 8.847 5.483 ( 3.500 2.339 1.462) 4.456 5.533 ( -0.185 2.185 2.476) 3.307 5.652 ( -0.953 0.099 -1.376) 1.676 5.860 ( -0.308 1.635 6.705) 6.908 6.028 ( 1.031 -0.848 7.761) 7.875 6.349 ( 4.564 1.983 -4.377) 6.628 6.432 ( 3.138 0.511 -3.266) 4.558 6.832 ( -5.426 5.024 -7.396) 10.459 6.898 ( -4.046 5.452 -8.897) 11.192 7.111 ( 1.962 4.664 -16.915) 17.655 7.298 ( -2.749 -6.009 -15.571) 16.915 9.109 ( 0.960 2.895 12.168) 12.544 9.233 ( -2.297 -2.671 9.606) 10.232 9.526 ( 3.090 2.830 14.823) 15.404 9.709 ( -2.170 -6.129 15.544) 16.849 10.187 ( -5.476 3.437 -8.328) 10.543 10.291 ( -7.895 2.276 -7.468) 11.103 10.544 ( 6.792 7.573 -10.104) 14.338 10.788 ( 4.856 1.955 -11.674) 12.794 11.434 ( 2.437 -2.165 17.650) 17.948 11.839 ( -5.993 -16.854 13.420) 22.363 12.390 ( 2.962 3.441 -6.535) 7.958 12.616 ( -2.037 -5.491 -6.553) 8.789 12.864 ( -2.165 3.834 3.432) 5.582 12.929 ( -2.426 1.051 0.757) 2.750 13.055 ( 3.941 1.498 -1.493) 4.473 13.142 ( 1.866 -2.397 -1.409) 3.349 ======================= Grid point 107 (42/75) ======================= q-point: ( 0.40 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( 5.991 12.864 4.209) 14.802 1.592 ( -0.981 8.137 6.877) 10.699 1.692 ( -0.858 9.506 2.379) 9.836 1.777 ( -5.661 5.480 2.771) 8.352 1.988 ( -0.210 -2.821 6.222) 6.835 1.997 ( -1.265 -5.108 5.843) 7.863 2.183 ( 3.520 -5.342 2.493) 6.866 2.230 ( -1.290 -3.601 2.148) 4.387 2.301 ( 1.964 0.774 9.716) 9.943 2.367 ( -2.816 -5.115 -0.038) 5.839 2.453 ( 1.321 -5.646 2.817) 6.446 2.496 ( -3.307 0.230 11.525) 11.992 2.664 ( 0.427 -1.891 7.083) 7.344 2.694 ( -1.755 -0.527 7.886) 8.096 2.915 ( 1.283 -5.701 -2.570) 6.384 2.928 ( -0.792 -1.686 -0.317) 1.890 3.022 ( 2.470 -1.078 2.508) 3.681 3.120 ( -5.816 -7.554 1.297) 9.621 3.292 ( 9.074 -0.874 -0.130) 9.117 3.429 ( 0.076 -1.441 0.402) 1.498 3.601 ( -2.457 -4.673 5.625) 7.715 3.616 ( 0.716 0.215 1.829) 1.976 3.865 ( -2.288 -0.219 -12.059) 12.276 3.882 ( -3.219 -0.145 -13.848) 14.218 4.333 ( 1.920 -1.845 -10.482) 10.815 4.356 ( -0.218 -1.653 -9.765) 9.907 4.463 ( 4.420 -0.340 -10.877) 11.745 4.511 ( 0.204 -0.335 -12.678) 12.684 4.675 ( 2.841 1.604 1.830) 3.741 4.761 ( -3.761 0.499 6.732) 7.728 5.125 ( 0.999 -3.194 2.280) 4.050 5.188 ( -3.110 -3.572 -0.689) 4.786 5.498 ( 2.989 1.586 -2.689) 4.322 5.544 ( 0.777 2.742 -1.030) 3.030 5.587 ( 2.321 2.928 0.246) 3.744 5.615 ( -1.999 1.337 -2.550) 3.505 5.911 ( 4.970 0.010 6.010) 7.799 6.005 ( -3.392 -0.606 5.976) 6.898 6.465 ( 5.857 1.425 -4.989) 7.824 6.507 ( 2.915 2.171 -5.297) 6.424 6.728 ( -3.036 3.649 -5.554) 7.306 6.783 ( -6.506 4.068 -6.989) 10.379 7.161 ( 3.022 1.834 -17.044) 17.407 7.230 ( -3.727 -2.342 -16.330) 16.913 9.138 ( 1.918 0.785 10.730) 10.928 9.183 ( -2.495 -1.124 9.924) 10.294 9.592 ( 3.283 0.823 15.024) 15.401 9.655 ( -3.042 -2.230 15.192) 15.653 10.117 ( -1.046 2.426 -8.832) 9.219 10.154 ( -4.744 1.532 -8.334) 9.711 10.692 ( 7.173 7.174 -7.613) 12.684 10.803 ( -3.204 6.613 -8.959) 11.587 11.533 ( 7.175 -8.589 15.045) 18.752 11.693 ( -8.201 -12.936 13.362) 20.326 12.462 ( 4.156 0.505 -6.324) 7.584 12.549 ( -4.310 -2.638 -6.472) 8.211 12.852 ( 0.795 1.947 3.012) 3.674 12.883 ( -2.094 0.822 2.051) 3.045 13.126 ( 2.874 1.243 -1.953) 3.690 13.160 ( -0.395 -0.080 -1.957) 1.998 ======================= Grid point 110 (43/75) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( 0.000 -10.539 3.103) 10.986 1.650 ( 0.000 10.539 3.103) 10.986 1.857 ( 0.000 -11.110 15.956) 19.443 1.857 ( 0.000 11.110 15.956) 19.443 1.983 ( 0.000 -3.608 -6.745) 7.650 1.983 ( 0.000 3.608 -6.745) 7.650 2.192 ( 0.000 -11.605 0.664) 11.624 2.192 ( 0.000 11.605 0.664) 11.624 2.316 ( 0.000 -5.714 -0.934) 5.790 2.316 ( 0.000 5.714 -0.934) 5.790 2.492 ( 0.000 -5.056 12.463) 13.449 2.492 ( 0.000 5.056 12.463) 13.449 2.671 ( 0.000 -0.958 7.947) 8.005 2.671 ( 0.000 0.958 7.947) 8.005 2.802 ( 0.000 -2.351 1.560) 2.822 2.802 ( 0.000 2.351 1.560) 2.822 3.090 ( 0.000 -0.359 4.802) 4.815 3.090 ( 0.000 0.359 4.802) 4.815 3.298 ( 0.000 -0.099 -3.062) 3.064 3.298 ( 0.000 0.099 -3.062) 3.064 3.475 ( 0.000 -11.957 2.474) 12.211 3.475 ( 0.000 11.957 2.474) 12.211 4.067 ( 0.000 -3.377 -8.779) 9.406 4.067 ( 0.000 3.377 -8.779) 9.406 4.303 ( 0.000 -1.282 -9.720) 9.804 4.303 ( 0.000 1.282 -9.720) 9.804 4.329 ( 0.000 -0.304 -12.518) 12.521 4.329 ( 0.000 0.304 -12.518) 12.521 4.700 ( 0.000 -4.134 -2.369) 4.765 4.700 ( 0.000 4.134 -2.369) 4.765 5.240 ( 0.000 -0.020 -7.273) 7.273 5.240 ( 0.000 0.020 -7.273) 7.273 5.412 ( 0.000 -0.796 4.281) 4.354 5.412 ( 0.000 0.796 4.281) 4.354 5.612 ( 0.000 -2.231 2.549) 3.388 5.612 ( 0.000 2.231 2.549) 3.388 5.949 ( 0.000 -2.685 7.662) 8.119 5.949 ( 0.000 2.685 7.662) 8.119 6.363 ( 0.000 -2.412 -3.169) 3.982 6.363 ( 0.000 2.412 -3.169) 3.982 6.976 ( 0.000 -0.737 -9.885) 9.912 6.976 ( 0.000 0.737 -9.885) 9.912 7.199 ( 0.000 -5.567 -15.598) 16.561 7.199 ( 0.000 5.567 -15.598) 16.561 9.178 ( 0.000 -4.031 12.746) 13.368 9.178 ( 0.000 4.031 12.746) 13.368 9.589 ( 0.000 -6.006 15.332) 16.466 9.589 ( 0.000 6.006 15.332) 16.466 10.347 ( 0.000 -2.248 -4.853) 5.348 10.347 ( 0.000 2.248 -4.853) 5.348 10.644 ( 0.000 -0.804 -16.022) 16.042 10.644 ( 0.000 0.804 -16.022) 16.042 11.562 ( 0.000 -13.159 16.788) 21.331 11.562 ( 0.000 13.159 16.788) 21.331 12.488 ( 0.000 -7.415 -7.254) 10.373 12.488 ( 0.000 7.415 -7.254) 10.373 12.983 ( 0.000 -0.381 1.842) 1.881 12.983 ( 0.000 0.381 1.842) 1.881 13.028 ( 0.000 -3.229 -2.000) 3.798 13.028 ( 0.000 3.229 -2.000) 3.798 ======================= Grid point 112 (44/75) ======================= q-point: ( 0.20 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 2.070 0.000 2.750) 3.442 1.679 ( 2.447 -0.000 3.672) 4.413 1.757 ( -4.408 0.000 11.983) 12.768 1.890 ( -1.266 -0.000 17.380) 17.426 1.944 ( -1.720 0.000 -6.824) 7.037 2.014 ( 0.242 -0.000 -4.532) 4.539 2.157 ( -2.050 0.000 0.426) 2.093 2.191 ( -1.141 -0.000 2.451) 2.704 2.295 ( -1.193 -0.000 -1.703) 2.079 2.308 ( -0.897 0.000 -3.401) 3.517 2.377 ( -2.855 -0.000 13.562) 13.859 2.601 ( 1.003 -0.000 15.877) 15.909 2.637 ( -0.550 -0.000 9.956) 9.972 2.696 ( 0.457 0.000 7.108) 7.123 2.809 ( 1.206 -0.000 -1.963) 2.303 2.885 ( 6.319 0.000 3.188) 7.077 3.050 ( -1.251 0.000 8.825) 8.913 3.069 ( -7.520 0.000 -4.722) 8.879 3.175 ( 1.659 0.000 -3.833) 4.177 3.405 ( 1.000 -0.000 6.044) 6.126 3.494 ( 7.736 0.000 -3.409) 8.454 3.544 ( 0.763 0.000 1.673) 1.839 3.986 ( -4.772 0.000 -11.922) 12.842 4.010 ( -7.893 -0.000 -7.888) 11.159 4.276 ( 0.906 0.000 -14.191) 14.220 4.332 ( 1.264 -0.000 -11.497) 11.566 4.349 ( 5.140 0.000 -11.048) 12.185 4.441 ( 5.150 0.000 -7.525) 9.119 4.695 ( -0.513 0.000 -2.484) 2.537 4.720 ( 1.881 -0.000 2.384) 3.037 5.180 ( -0.631 -0.000 -3.640) 3.694 5.226 ( -7.459 0.000 0.199) 7.461 5.448 ( 8.820 -0.000 -3.257) 9.402 5.496 ( -0.237 0.000 1.287) 1.308 5.562 ( 1.689 0.000 4.138) 4.470 5.650 ( 0.149 0.000 -0.216) 0.263 5.886 ( -1.242 0.000 8.268) 8.361 6.016 ( 1.639 0.000 6.934) 7.125 6.373 ( 3.304 0.000 -4.001) 5.189 6.434 ( 4.810 0.000 -3.269) 5.816 6.886 ( -6.218 0.000 -8.941) 10.890 6.953 ( -4.553 -0.000 -8.466) 9.613 7.183 ( -0.297 0.000 -17.232) 17.235 7.210 ( -0.079 -0.000 -15.266) 15.267 9.160 ( -0.884 0.000 11.855) 11.888 9.182 ( -0.397 0.000 12.831) 12.837 9.594 ( 0.635 -0.000 15.019) 15.033 9.601 ( 0.795 0.000 16.297) 16.316 10.232 ( -5.796 0.000 -8.015) 9.891 10.293 ( -7.715 0.000 -7.247) 10.585 10.634 ( 6.223 0.000 -11.344) 12.938 10.831 ( 7.958 0.000 -15.477) 17.403 11.474 ( -4.251 0.000 18.890) 19.362 11.586 ( -1.128 -0.000 14.801) 14.844 12.477 ( -0.018 0.000 -7.355) 7.355 12.505 ( 0.571 0.000 -7.593) 7.614 12.920 ( -2.632 0.000 2.154) 3.401 12.930 ( -3.775 -0.000 1.677) 4.131 13.070 ( 3.981 0.000 -1.521) 4.262 13.115 ( 3.574 0.000 -1.946) 4.069 ======================= Grid point 114 (45/75) ======================= q-point: ( 0.40 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( 1.943 0.000 11.994) 12.150 1.719 ( 2.109 -0.000 2.845) 3.542 1.734 ( 0.898 -0.000 3.203) 3.327 1.803 ( -5.956 -0.000 13.616) 14.862 1.942 ( 1.387 -0.000 -4.453) 4.664 1.985 ( -2.499 -0.000 -4.483) 5.133 2.133 ( 0.163 -0.000 1.547) 1.556 2.160 ( -1.853 0.000 3.310) 3.793 2.276 ( -0.639 -0.000 -1.655) 1.774 2.279 ( -1.100 0.000 -0.229) 1.123 2.411 ( 4.859 -0.000 11.866) 12.823 2.526 ( -6.052 -0.000 13.655) 14.936 2.647 ( 1.663 0.000 9.147) 9.297 2.692 ( -1.909 0.000 10.292) 10.468 2.844 ( 2.342 -0.000 -4.145) 4.761 2.907 ( -4.008 0.000 -6.131) 7.325 3.013 ( 1.780 0.000 5.124) 5.425 3.034 ( -0.616 0.000 8.035) 8.058 3.272 ( 8.133 0.000 -4.120) 9.117 3.447 ( -7.760 0.000 -0.460) 7.774 3.520 ( 8.293 -0.000 4.873) 9.619 3.623 ( 1.111 0.000 1.193) 1.630 3.860 ( -4.234 0.000 -12.924) 13.600 3.889 ( -4.593 -0.000 -13.425) 14.189 4.310 ( 1.774 -0.000 -13.220) 13.339 4.336 ( -0.701 0.000 -12.696) 12.716 4.460 ( 4.753 -0.000 -13.502) 14.314 4.511 ( 0.434 0.000 -12.409) 12.417 4.709 ( 3.016 0.000 6.055) 6.765 4.758 ( 0.403 0.000 8.886) 8.896 5.101 ( -2.883 0.000 2.148) 3.596 5.138 ( -4.150 0.000 2.549) 4.870 5.510 ( 3.332 0.000 -3.542) 4.863 5.567 ( 0.585 0.000 -4.499) 4.537 5.618 ( 1.990 0.000 2.618) 3.288 5.633 ( -0.567 0.000 -0.215) 0.606 5.917 ( 4.041 0.000 6.964) 8.052 6.000 ( -3.098 0.000 5.872) 6.639 6.480 ( 6.257 0.000 -4.820) 7.898 6.530 ( 3.174 0.000 -4.886) 5.826 6.767 ( -3.731 0.000 -6.511) 7.505 6.823 ( -7.184 0.000 -6.723) 9.839 7.186 ( 0.483 0.000 -17.364) 17.371 7.199 ( -0.778 -0.000 -16.287) 16.305 9.151 ( 0.188 0.000 11.418) 11.420 9.165 ( -1.023 0.000 11.993) 12.036 9.609 ( 0.685 -0.000 15.815) 15.830 9.614 ( 0.292 0.000 16.615) 16.618 10.147 ( -2.137 0.000 -9.378) 9.619 10.164 ( -3.994 0.000 -9.235) 10.062 10.784 ( 7.615 0.000 -9.177) 11.925 10.895 ( -2.134 0.000 -12.712) 12.889 11.447 ( 2.190 0.000 17.441) 17.578 11.526 ( -4.393 -0.000 14.284) 14.944 12.486 ( 0.820 0.000 -7.818) 7.861 12.504 ( -0.677 -0.000 -8.017) 8.045 12.881 ( -1.091 0.000 2.957) 3.152 12.883 ( -1.087 -0.000 3.079) 3.265 13.137 ( 2.458 0.000 -2.158) 3.270 13.158 ( 0.536 0.000 -2.316) 2.377 ======================= Grid point 135 (46/75) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( 0.000 0.000 10.827) 10.827 1.296 ( 0.000 0.000 14.131) 14.131 1.344 ( 0.000 0.000 -13.230) 13.230 1.611 ( 0.000 0.000 -7.173) 7.173 2.160 ( 0.000 0.000 2.094) 2.094 2.247 ( 0.000 0.000 7.525) 7.525 2.327 ( 0.000 0.000 18.831) 18.831 2.424 ( 0.000 0.000 -6.640) 6.640 2.433 ( 0.000 0.000 3.875) 3.875 2.584 ( 0.000 0.000 9.104) 9.104 2.877 ( 0.000 0.000 -5.516) 5.516 2.945 ( 0.000 0.000 34.364) 34.364 3.072 ( 0.000 0.000 10.871) 10.871 3.105 ( 0.000 0.000 -10.867) 10.867 3.191 ( 0.000 0.000 11.063) 11.063 3.201 ( 0.000 0.000 0.796) 0.796 3.219 ( 0.000 0.000 9.359) 9.359 3.434 ( 0.000 0.000 0.425) 0.425 3.512 ( 0.000 0.000 -1.468) 1.468 3.584 ( 0.000 0.000 -11.954) 11.954 3.676 ( 0.000 0.000 13.992) 13.992 3.721 ( 0.000 0.000 -5.334) 5.334 3.800 ( 0.000 0.000 -0.795) 0.795 3.918 ( 0.000 0.000 -4.616) 4.616 4.261 ( 0.000 0.000 1.537) 1.537 4.292 ( 0.000 0.000 -11.379) 11.379 4.452 ( 0.000 0.000 -18.641) 18.641 4.464 ( 0.000 0.000 3.076) 3.076 4.631 ( 0.000 0.000 -16.914) 16.914 4.730 ( 0.000 0.000 -18.851) 18.851 4.944 ( 0.000 0.000 10.109) 10.109 5.044 ( 0.000 0.000 1.729) 1.729 5.132 ( 0.000 0.000 -2.106) 2.106 5.331 ( 0.000 0.000 6.661) 6.661 5.346 ( 0.000 0.000 -7.934) 7.934 5.528 ( 0.000 0.000 -2.443) 2.443 5.995 ( 0.000 0.000 2.910) 2.910 6.101 ( 0.000 0.000 -2.835) 2.835 6.136 ( 0.000 0.000 -3.888) 3.888 6.141 ( 0.000 0.000 -4.173) 4.173 6.379 ( 0.000 0.000 -3.646) 3.646 6.469 ( 0.000 0.000 -7.512) 7.512 6.713 ( 0.000 0.000 14.754) 14.754 7.410 ( 0.000 0.000 -18.113) 18.113 9.097 ( 0.000 0.000 6.829) 6.829 9.265 ( 0.000 0.000 0.531) 0.531 9.358 ( 0.000 0.000 1.700) 1.700 9.544 ( 0.000 0.000 -8.167) 8.167 9.920 ( 0.000 0.000 2.940) 2.940 10.121 ( 0.000 0.000 -4.996) 4.996 10.652 ( 0.000 0.000 16.297) 16.297 11.205 ( 0.000 0.000 -9.143) 9.143 11.841 ( 0.000 0.000 12.739) 12.739 12.144 ( 0.000 0.000 -4.612) 4.612 12.512 ( 0.000 0.000 3.343) 3.343 12.679 ( 0.000 0.000 -4.399) 4.399 12.804 ( 0.000 0.000 2.821) 2.821 12.846 ( 0.000 0.000 -1.511) 1.511 13.081 ( 0.000 0.000 10.298) 10.298 13.480 ( 0.000 0.000 -9.005) 9.005 ======================= Grid point 136 (47/75) ======================= q-point: ( 0.20 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( 13.682 0.000 7.638) 15.670 1.316 ( 3.865 0.000 6.465) 7.532 1.450 ( 7.486 0.000 -4.479) 8.724 1.624 ( 0.481 0.000 -5.424) 5.445 2.155 ( -2.862 0.000 3.125) 4.237 2.166 ( -4.724 0.000 6.940) 8.395 2.304 ( -2.704 0.000 17.755) 17.959 2.363 ( -4.830 0.000 -0.756) 4.889 2.450 ( 1.651 0.000 -1.447) 2.195 2.586 ( -0.606 0.000 11.703) 11.719 2.885 ( -0.152 0.000 -7.040) 7.042 2.915 ( -0.549 0.000 20.831) 20.838 3.036 ( -3.773 0.000 -7.796) 8.661 3.128 ( 0.703 0.000 12.514) 12.534 3.158 ( -0.875 0.000 13.918) 13.945 3.194 ( -1.439 0.000 -3.194) 3.503 3.209 ( 0.086 0.000 10.906) 10.907 3.278 ( -11.970 0.000 5.657) 13.239 3.531 ( 2.807 0.000 -5.767) 6.414 3.583 ( 1.970 0.000 -11.149) 11.322 3.588 ( -9.190 0.000 -3.147) 9.714 3.745 ( -6.148 0.000 4.787) 7.792 3.825 ( 6.893 0.000 6.628) 9.562 3.947 ( 2.678 0.000 -1.067) 2.883 4.253 ( 4.853 0.000 -3.996) 6.286 4.403 ( 1.518 0.000 -1.209) 1.941 4.468 ( 1.841 0.000 -17.483) 17.579 4.525 ( 6.776 0.000 -1.308) 6.901 4.629 ( -0.531 0.000 -15.356) 15.366 4.777 ( 4.394 0.000 -17.982) 18.511 4.841 ( -6.460 0.000 5.465) 8.462 5.095 ( -3.485 0.000 -5.346) 6.382 5.142 ( 6.357 0.000 4.955) 8.059 5.342 ( 0.465 0.000 6.395) 6.412 5.374 ( 2.714 0.000 -5.598) 6.221 5.527 ( -0.334 0.000 -1.909) 1.938 6.033 ( 3.859 0.000 2.443) 4.567 6.101 ( 1.693 0.000 -3.478) 3.868 6.184 ( 4.815 0.000 -2.764) 5.552 6.308 ( 11.482 0.000 -5.686) 12.812 6.352 ( 0.132 0.000 -5.082) 5.084 6.421 ( -4.631 0.000 -6.319) 7.835 6.655 ( -5.645 0.000 12.971) 14.146 7.315 ( -9.345 0.000 -17.616) 19.941 9.130 ( 3.255 0.000 5.378) 6.287 9.266 ( 0.146 0.000 0.530) 0.550 9.337 ( -1.802 0.000 1.088) 2.105 9.478 ( -5.735 0.000 -6.357) 8.562 9.990 ( 6.619 0.000 4.287) 7.886 10.215 ( 8.543 0.000 -5.132) 9.966 10.571 ( -7.589 0.000 14.397) 16.274 11.016 ( -14.787 0.000 -5.053) 15.626 12.046 ( 16.228 0.000 7.255) 17.776 12.216 ( 6.529 0.000 -2.835) 7.117 12.509 ( -0.539 0.000 3.103) 3.149 12.668 ( -1.395 0.000 -4.322) 4.542 12.809 ( 0.572 0.000 3.169) 3.221 12.857 ( 1.280 0.000 -1.189) 1.747 13.033 ( -4.543 0.000 9.360) 10.405 13.362 ( -10.977 0.000 -5.947) 12.484 ======================= Grid point 137 (48/75) ======================= q-point: ( 0.40 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 15.972 0.000 3.117) 16.273 1.442 ( 7.684 0.000 4.971) 9.152 1.546 ( -0.295 0.000 0.628) 0.694 1.568 ( -7.786 0.000 -1.125) 7.867 2.058 ( -0.838 0.000 5.357) 5.422 2.116 ( -3.975 0.000 2.905) 4.924 2.241 ( -1.256 0.000 8.870) 8.958 2.277 ( -3.719 0.000 4.120) 5.550 2.494 ( 2.657 0.000 4.037) 4.833 2.550 ( -2.674 0.000 10.132) 10.479 2.880 ( 1.436 0.000 -7.132) 7.275 2.961 ( 4.862 0.000 13.406) 14.261 2.964 ( -5.459 0.000 -8.020) 9.702 3.072 ( -4.964 0.000 13.275) 14.173 3.123 ( -1.429 0.000 3.009) 3.331 3.151 ( -2.588 0.000 -3.142) 4.071 3.151 ( 1.181 0.000 5.570) 5.693 3.210 ( -3.005 0.000 7.107) 7.716 3.495 ( 2.286 0.000 9.090) 9.373 3.579 ( 2.119 0.000 -10.130) 10.350 3.607 ( -0.253 0.000 -10.455) 10.458 3.609 ( -7.067 0.000 11.690) 13.660 3.928 ( 4.075 0.000 2.823) 4.957 3.979 ( -0.502 0.000 1.492) 1.574 4.357 ( 4.047 0.000 -0.551) 4.084 4.402 ( -0.886 0.000 1.967) 2.157 4.528 ( 3.817 0.000 -14.134) 14.640 4.597 ( -2.721 0.000 -13.212) 13.490 4.644 ( 4.599 0.000 -3.307) 5.664 4.729 ( -4.610 0.000 0.217) 4.615 4.887 ( 6.091 0.000 -15.372) 16.535 5.004 ( -5.439 0.000 -10.846) 12.133 5.259 ( 4.971 0.000 5.693) 7.558 5.329 ( -1.988 0.000 6.044) 6.362 5.442 ( 3.661 0.000 -2.566) 4.471 5.503 ( -2.200 0.000 -1.523) 2.676 6.145 ( 7.039 0.000 0.471) 7.054 6.163 ( 4.278 0.000 -3.679) 5.642 6.259 ( -4.898 0.000 -3.620) 6.090 6.294 ( -6.480 0.000 -3.651) 7.437 6.323 ( 7.546 0.000 1.951) 7.794 6.503 ( -9.014 0.000 7.919) 11.999 6.677 ( 19.673 0.000 -12.658) 23.393 7.050 ( -16.738 0.000 -15.997) 23.153 9.221 ( 5.684 0.000 1.753) 5.948 9.274 ( 0.797 0.000 0.429) 0.905 9.299 ( -1.684 0.000 0.446) 1.742 9.348 ( -6.803 0.000 -2.577) 7.275 10.163 ( 10.275 0.000 7.185) 12.537 10.379 ( -10.864 0.000 10.709) 15.255 10.431 ( 12.682 0.000 -4.505) 13.458 10.710 ( -15.080 0.000 -3.705) 15.529 12.365 ( 7.361 0.000 0.259) 7.366 12.377 ( 15.318 0.000 1.432) 15.384 12.475 ( -3.337 0.000 2.245) 4.022 12.599 ( -6.513 0.000 -3.181) 7.248 12.838 ( 2.692 0.000 4.493) 5.238 12.917 ( 5.509 0.000 -0.292) 5.517 12.923 ( -5.613 0.000 6.981) 8.958 13.104 ( -12.891 0.000 -0.986) 12.929 ======================= Grid point 140 (49/75) ======================= q-point: ( 0.00 0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( 0.000 10.049 9.372) 13.741 1.361 ( 0.000 6.176 12.257) 13.725 1.393 ( 0.000 4.735 -11.593) 12.523 1.621 ( 0.000 1.214 -5.246) 5.385 2.150 ( 0.000 -0.728 2.009) 2.137 2.180 ( 0.000 -5.390 7.428) 9.177 2.353 ( 0.000 1.773 11.818) 11.950 2.407 ( 0.000 -1.739 -6.811) 7.030 2.436 ( 0.000 0.408 6.828) 6.840 2.569 ( 0.000 -1.515 8.586) 8.718 2.828 ( 0.000 -3.152 0.943) 3.290 2.960 ( 0.000 -9.499 -0.781) 9.531 3.001 ( 0.000 -0.319 17.472) 17.475 3.035 ( 0.000 -4.607 18.172) 18.747 3.080 ( 0.000 -2.470 9.994) 10.295 3.195 ( 0.000 -2.436 4.661) 5.259 3.258 ( 0.000 -1.524 2.405) 2.847 3.460 ( 0.000 0.263 -2.688) 2.701 3.521 ( 0.000 0.999 -0.273) 1.036 3.583 ( 0.000 -7.063 10.948) 13.029 3.608 ( 0.000 2.241 -9.878) 10.129 3.667 ( 0.000 -3.950 -6.351) 7.479 3.816 ( 0.000 -5.357 -3.089) 6.184 3.850 ( 0.000 0.436 -0.642) 0.776 4.239 ( 0.000 -4.712 -12.975) 13.804 4.256 ( 0.000 -1.749 -1.667) 2.416 4.366 ( 0.000 -5.859 -9.848) 11.460 4.473 ( 0.000 -13.272 -14.056) 19.332 4.516 ( 0.000 2.469 -1.033) 2.677 4.752 ( 0.000 3.432 -19.889) 20.183 5.015 ( 0.000 -1.928 3.253) 3.781 5.081 ( 0.000 10.927 8.828) 14.047 5.173 ( 0.000 2.780 -3.474) 4.449 5.364 ( 0.000 3.101 3.889) 4.974 5.430 ( 0.000 7.238 -6.762) 9.905 5.495 ( 0.000 -2.855 -1.464) 3.208 5.969 ( 0.000 -1.814 3.515) 3.955 6.102 ( 0.000 1.586 0.699) 1.733 6.134 ( 0.000 -0.201 -4.472) 4.476 6.218 ( 0.000 5.614 -5.470) 7.838 6.456 ( 0.000 6.885 -4.280) 8.107 6.544 ( 0.000 6.450 -8.466) 10.643 6.722 ( 0.000 0.831 12.152) 12.181 7.342 ( 0.000 -6.101 -16.743) 17.820 9.145 ( 0.000 4.751 8.977) 10.157 9.380 ( 0.000 2.221 3.277) 3.959 9.390 ( 0.000 10.895 0.651) 10.915 9.629 ( 0.000 7.844 -9.079) 11.998 9.926 ( 0.000 0.932 0.703) 1.168 10.119 ( 0.000 -0.136 -5.488) 5.490 10.563 ( 0.000 -8.229 15.175) 17.263 11.066 ( 0.000 -12.484 -8.040) 14.849 11.817 ( 0.000 -2.220 13.006) 13.194 12.143 ( 0.000 -0.020 -5.248) 5.248 12.533 ( 0.000 0.643 2.958) 3.027 12.675 ( 0.000 -1.157 -3.569) 3.752 12.815 ( 0.000 1.273 2.443) 2.755 12.870 ( 0.000 2.044 -1.337) 2.443 13.048 ( 0.000 -2.445 8.781) 9.115 13.382 ( 0.000 -8.694 -6.835) 11.059 ======================= Grid point 141 (50/75) ======================= q-point: ( 0.20 0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( 9.863 6.311 7.862) 14.104 1.366 ( 3.135 4.498 2.760) 6.138 1.501 ( 6.820 4.899 -1.619) 8.551 1.634 ( 0.282 1.265 -3.546) 3.776 2.113 ( -4.858 -3.778 6.785) 9.160 2.149 ( -0.435 -0.527 2.072) 2.181 2.334 ( -3.129 2.322 14.424) 14.941 2.357 ( -3.406 -0.769 -2.588) 4.346 2.450 ( 2.025 -0.561 -1.065) 2.356 2.583 ( 0.039 -0.300 11.445) 11.449 2.844 ( 0.983 -3.142 0.174) 3.297 2.906 ( -2.923 -5.529 4.669) 7.805 2.953 ( -3.281 -4.725 3.283) 6.623 3.054 ( -0.569 -6.633 11.047) 12.898 3.097 ( -0.567 -1.918 14.143) 14.284 3.147 ( -2.552 -2.051 4.859) 5.859 3.217 ( -4.571 -2.539 7.632) 9.251 3.341 ( -4.187 2.872 5.570) 7.536 3.510 ( -4.521 -3.347 -8.113) 9.873 3.533 ( -2.087 -2.184 -3.766) 4.828 3.600 ( -0.646 0.110 -10.944) 10.964 3.730 ( 0.365 -4.749 3.045) 5.653 3.798 ( 1.282 0.892 4.316) 4.589 3.901 ( 4.345 -3.671 1.076) 5.789 4.248 ( 4.238 -1.614 -8.329) 9.484 4.335 ( 1.647 -6.025 -3.383) 7.103 4.372 ( 2.118 -6.242 -10.983) 12.810 4.477 ( -0.066 -12.019 -12.849) 17.594 4.565 ( 3.999 1.331 -2.008) 4.669 4.787 ( 2.663 3.375 -14.404) 15.032 4.936 ( -4.567 4.524 0.894) 6.490 5.113 ( 1.693 3.778 1.578) 4.431 5.238 ( 3.959 6.973 -1.250) 8.115 5.364 ( 0.748 1.780 1.842) 2.669 5.432 ( 0.530 4.715 -2.910) 5.566 5.511 ( 0.822 -0.866 -1.341) 1.795 5.996 ( 3.001 -2.581 3.546) 5.314 6.107 ( 1.641 0.873 -1.881) 2.644 6.216 ( 4.701 1.744 -2.799) 5.742 6.268 ( 4.497 -0.175 -4.835) 6.605 6.432 ( -2.154 7.275 -4.034) 8.593 6.545 ( 2.079 8.041 -9.330) 12.492 6.673 ( -4.705 1.718 10.585) 11.710 7.261 ( -8.033 -4.932 -16.369) 18.889 9.168 ( 2.274 3.973 7.708) 8.965 9.344 ( -2.333 2.938 3.448) 5.095 9.399 ( 0.007 9.697 -0.703) 9.723 9.565 ( -5.372 7.814 -7.338) 11.990 9.987 ( 5.818 -0.059 2.786) 6.451 10.209 ( 8.000 -0.477 -5.354) 9.638 10.498 ( -6.081 -6.674 13.222) 16.010 10.925 ( -11.788 -8.476 -5.665) 15.585 11.964 ( 12.248 -6.359 9.844) 16.952 12.209 ( 6.127 -0.950 -3.806) 7.275 12.521 ( -1.526 -0.699 2.482) 2.996 12.650 ( -2.605 -2.037 -3.490) 4.808 12.818 ( 0.483 1.186 3.128) 3.380 12.889 ( 1.941 2.635 -1.211) 3.490 13.013 ( -3.277 -1.276 7.778) 8.536 13.293 ( -8.138 -5.969 -4.905) 11.222 ======================= Grid point 142 (51/75) ======================= q-point: ( 0.40 0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( 13.128 0.683 5.678) 14.319 1.480 ( 6.935 2.719 0.998) 7.516 1.535 ( -6.678 -0.194 3.617) 7.597 1.602 ( -2.721 2.962 -1.439) 4.271 2.069 ( 1.617 1.027 4.641) 5.021 2.130 ( -2.141 1.474 3.146) 4.081 2.258 ( -1.225 1.297 5.856) 6.121 2.301 ( -3.422 1.874 2.420) 4.591 2.500 ( 2.783 -0.120 3.305) 4.322 2.554 ( -2.443 0.148 10.245) 10.533 2.834 ( -0.216 -4.493 -5.921) 7.436 2.876 ( -3.150 -7.599 -3.963) 9.131 2.926 ( 2.554 -3.432 12.135) 12.867 2.991 ( -3.787 -6.122 11.274) 13.377 3.069 ( -0.701 -3.465 5.188) 6.278 3.104 ( -4.422 -1.905 8.043) 9.374 3.166 ( 3.853 -0.371 1.082) 4.020 3.278 ( -6.375 2.672 -1.508) 7.075 3.456 ( 4.200 -3.406 9.435) 10.875 3.538 ( -1.079 -2.338 -3.197) 4.105 3.593 ( -0.181 -0.330 -9.998) 10.005 3.631 ( -5.015 -1.389 2.089) 5.607 3.897 ( 4.482 -2.741 3.415) 6.266 3.946 ( -0.204 -2.974 1.172) 3.204 4.333 ( 2.830 -2.844 -4.898) 6.331 4.350 ( 0.530 -4.904 -3.051) 5.800 4.424 ( 2.342 -7.453 -9.880) 12.596 4.462 ( -1.377 -10.310 -11.185) 15.274 4.651 ( 4.656 0.612 -0.924) 4.786 4.753 ( -5.197 2.697 1.203) 5.977 4.964 ( 5.955 5.269 -13.531) 15.695 5.081 ( -4.734 6.060 -8.831) 11.709 5.320 ( 4.143 5.166 3.070) 7.299 5.378 ( -1.057 3.926 4.094) 5.770 5.461 ( 2.618 1.614 -2.101) 3.725 5.508 ( -1.385 0.507 -1.076) 1.826 6.086 ( 5.399 -3.421 2.828) 6.989 6.147 ( 0.894 -1.320 -0.000) 1.594 6.269 ( -0.178 1.512 -5.657) 5.858 6.294 ( -1.608 0.348 -4.513) 4.804 6.418 ( 3.304 7.176 0.559) 7.920 6.543 ( -7.237 3.340 6.431) 10.241 6.730 ( 14.547 4.228 -12.586) 19.695 7.034 ( -14.260 -1.602 -15.131) 20.853 9.229 ( 3.572 2.215 4.986) 6.521 9.295 ( -2.778 1.534 3.472) 4.703 9.403 ( 0.997 9.878 -2.178) 10.164 9.458 ( -4.555 8.813 -4.262) 10.797 10.139 ( 8.968 -2.218 6.659) 11.388 10.317 ( -6.845 -5.425 9.384) 12.820 10.430 ( 9.083 -0.281 -4.414) 10.103 10.668 ( -13.052 -3.743 -4.754) 14.386 12.217 ( 11.516 -10.015 6.796) 16.706 12.337 ( 3.180 -5.419 1.900) 6.564 12.475 ( -0.814 -2.686 -1.296) 3.092 12.566 ( -5.840 -2.611 -3.748) 7.414 12.846 ( 2.554 1.108 4.725) 5.484 12.913 ( -2.900 0.114 5.223) 5.975 12.973 ( 3.446 3.731 -0.266) 5.086 13.108 ( -9.048 0.275 -2.054) 9.282 ======================= Grid point 145 (52/75) ======================= q-point: ( 0.00 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( 0.000 13.834 7.052) 15.528 1.525 ( 0.000 8.058 -8.289) 11.560 1.526 ( 0.000 9.625 7.754) 12.360 1.672 ( 0.000 3.954 -1.604) 4.267 2.083 ( 0.000 -3.150 5.847) 6.641 2.144 ( 0.000 0.364 2.480) 2.506 2.344 ( 0.000 -2.421 -4.713) 5.298 2.355 ( 0.000 -3.431 -3.199) 4.691 2.485 ( 0.000 3.865 13.857) 14.386 2.502 ( 0.000 -5.567 6.917) 8.879 2.727 ( 0.000 -12.904 3.215) 13.298 2.763 ( 0.000 -3.638 -0.581) 3.685 2.857 ( 0.000 -5.878 5.925) 8.346 3.022 ( 0.000 -2.825 14.991) 15.255 3.075 ( 0.000 -1.669 24.195) 24.252 3.125 ( 0.000 -4.429 3.641) 5.734 3.150 ( 0.000 -5.130 -4.068) 6.547 3.390 ( 0.000 -6.497 3.001) 7.156 3.458 ( 0.000 -3.794 8.933) 9.706 3.513 ( 0.000 -4.099 -3.336) 5.285 3.592 ( 0.000 -0.748 -10.352) 10.379 3.640 ( 0.000 -10.071 6.367) 11.915 3.699 ( 0.000 4.489 -3.989) 6.005 3.913 ( 0.000 3.492 -6.004) 6.946 4.135 ( 0.000 -4.727 -14.105) 14.876 4.146 ( 0.000 -8.657 -7.962) 11.761 4.212 ( 0.000 -9.891 -16.082) 18.880 4.235 ( 0.000 -6.706 -9.612) 11.720 4.568 ( 0.000 2.855 0.418) 2.885 4.853 ( 0.000 5.875 -17.200) 18.175 4.985 ( 0.000 -2.106 6.583) 6.912 5.196 ( 0.000 -0.634 -3.189) 3.251 5.307 ( 0.000 10.396 8.542) 13.455 5.442 ( 0.000 0.840 1.029) 1.328 5.460 ( 0.000 3.988 -0.040) 3.988 5.581 ( 0.000 6.513 -3.960) 7.623 5.950 ( 0.000 0.395 4.761) 4.778 6.149 ( 0.000 2.191 4.326) 4.849 6.150 ( 0.000 1.988 -5.082) 5.457 6.316 ( 0.000 3.408 -4.550) 5.685 6.616 ( 0.000 8.044 -5.760) 9.894 6.688 ( 0.000 7.238 -9.541) 11.976 6.747 ( 0.000 1.759 5.269) 5.555 7.195 ( 0.000 -7.857 -14.324) 16.338 9.270 ( 0.000 6.950 13.224) 14.939 9.438 ( 0.000 3.100 7.500) 8.115 9.622 ( 0.000 9.978 6.180) 11.737 9.824 ( 0.000 10.331 -9.603) 14.105 9.987 ( 0.000 6.140 -8.773) 10.708 10.124 ( 0.000 0.939 -6.433) 6.501 10.357 ( 0.000 -11.128 11.602) 16.076 10.770 ( 0.000 -15.326 -7.047) 16.868 11.766 ( 0.000 -2.339 13.822) 14.018 12.151 ( 0.000 1.102 -6.822) 6.910 12.444 ( 0.000 -10.718 6.192) 12.378 12.625 ( 0.000 -3.734 -3.918) 5.412 12.859 ( 0.000 3.024 1.662) 3.451 12.918 ( 0.000 2.544 -1.100) 2.772 13.017 ( 0.000 -0.631 4.536) 4.580 13.196 ( 0.000 -8.042 -3.665) 8.838 ======================= Grid point 146 (53/75) ======================= q-point: ( 0.20 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( 4.349 11.569 6.850) 14.131 1.485 ( 0.758 7.360 -1.157) 7.489 1.626 ( 3.285 6.643 1.635) 7.589 1.687 ( 0.734 4.267 -0.791) 4.402 2.056 ( -0.924 -1.263 4.499) 4.764 2.153 ( 0.788 1.047 2.520) 2.840 2.320 ( -3.003 -2.953 -4.384) 6.079 2.350 ( -0.978 -2.258 0.387) 2.491 2.441 ( -0.119 -0.137 6.828) 6.830 2.536 ( 0.201 -5.012 8.886) 10.204 2.714 ( -1.144 -11.353 2.044) 11.592 2.782 ( 0.181 -2.278 1.968) 3.016 2.847 ( -0.221 -4.027 7.077) 8.145 2.971 ( -3.607 -2.620 13.878) 14.577 3.057 ( -1.359 -3.759 14.146) 14.700 3.082 ( -4.556 -4.902 -1.991) 6.982 3.142 ( -1.091 -3.945 6.956) 8.071 3.316 ( -1.175 -2.665 10.569) 10.963 3.432 ( -8.450 -5.067 -3.407) 10.425 3.505 ( 1.164 -3.590 -3.380) 5.067 3.571 ( -1.349 -2.271 -6.867) 7.357 3.621 ( 3.048 -2.637 -1.273) 4.227 3.821 ( 3.709 -3.672 -0.387) 5.233 3.837 ( -3.679 1.116 -0.017) 3.844 4.167 ( 1.934 -9.395 -11.223) 14.764 4.186 ( 3.834 -4.348 -11.472) 12.854 4.248 ( 1.054 -7.800 -10.732) 13.309 4.251 ( 2.887 -6.096 -11.998) 13.765 4.600 ( 2.984 2.575 1.211) 4.124 4.893 ( 3.730 6.104 -11.133) 13.233 4.989 ( -0.974 0.811 4.581) 4.753 5.199 ( -0.298 2.529 1.318) 2.868 5.345 ( 5.511 2.489 -0.838) 6.105 5.432 ( -1.979 5.489 -1.914) 6.140 5.489 ( 2.370 2.748 2.242) 4.265 5.565 ( -1.462 4.656 -2.455) 5.463 5.965 ( 2.115 0.035 5.694) 6.074 6.138 ( 0.694 1.959 0.356) 2.108 6.237 ( 5.410 1.204 -1.368) 5.709 6.317 ( 0.006 3.030 -4.414) 5.354 6.594 ( -2.014 8.008 -5.239) 9.779 6.677 ( -1.492 4.134 -3.649) 5.712 6.734 ( -0.021 4.765 -2.377) 5.325 7.139 ( -5.446 -6.591 -14.132) 16.517 9.277 ( 0.711 6.093 12.010) 13.486 9.404 ( -2.746 3.102 7.546) 8.609 9.633 ( 0.268 11.143 2.616) 11.449 9.755 ( -5.302 9.945 -8.160) 13.914 10.003 ( 2.156 2.090 -3.318) 4.475 10.193 ( 4.220 -2.000 -1.694) 4.968 10.348 ( 0.176 -6.070 5.427) 8.144 10.718 ( -4.924 -10.619 -7.226) 13.756 11.838 ( 6.809 -5.491 12.944) 15.622 12.185 ( 2.814 -1.214 -4.330) 5.305 12.402 ( -3.698 -10.697 4.515) 12.186 12.593 ( -3.286 -4.080 -4.835) 7.129 12.860 ( 0.299 2.785 2.989) 4.097 12.934 ( 0.984 1.459 0.556) 1.846 13.011 ( -0.063 1.128 2.479) 2.724 13.171 ( -2.349 -5.063 -3.490) 6.583 ======================= Grid point 147 (54/75) ======================= q-point: ( 0.40 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( 8.626 7.248 6.124) 12.824 1.547 ( -0.243 4.744 0.912) 4.837 1.572 ( -1.643 4.075 2.912) 5.271 1.677 ( -3.906 4.315 -1.216) 5.947 2.094 ( 4.347 1.213 3.643) 5.800 2.169 ( -0.986 1.854 3.641) 4.203 2.267 ( 0.264 -1.351 -0.734) 1.560 2.317 ( -2.518 -1.342 -1.517) 3.232 2.472 ( 2.270 -2.603 4.993) 6.071 2.513 ( -1.851 -5.443 7.677) 9.591 2.691 ( -0.423 -8.542 0.362) 8.560 2.729 ( -3.950 -5.226 1.263) 6.672 2.862 ( 0.918 -1.955 10.139) 10.367 2.896 ( -3.104 -2.542 10.618) 11.351 3.019 ( 0.069 -2.242 6.653) 7.021 3.060 ( -2.542 -2.948 6.329) 7.430 3.123 ( 4.152 -3.159 2.822) 5.932 3.255 ( -7.890 -4.687 -1.960) 9.384 3.384 ( 5.582 -3.479 7.281) 9.812 3.503 ( -5.191 -2.520 -2.116) 6.147 3.550 ( 2.162 -2.136 -6.846) 7.490 3.600 ( -3.014 -0.759 -6.272) 7.000 3.833 ( 2.276 -3.503 3.433) 5.407 3.861 ( -0.084 -5.245 0.863) 5.316 4.197 ( 1.642 -9.223 -12.148) 15.340 4.226 ( -0.814 -8.500 -12.612) 15.230 4.289 ( 2.443 -4.575 -9.771) 11.062 4.299 ( 1.284 -4.974 -8.607) 10.024 4.695 ( 6.733 4.048 5.075) 9.353 4.847 ( -7.445 6.063 7.963) 12.474 5.059 ( 7.173 4.065 -10.442) 13.304 5.177 ( -3.486 2.255 -3.785) 5.619 5.419 ( 1.710 3.622 -0.831) 4.091 5.459 ( 2.481 4.085 -0.586) 4.816 5.493 ( -0.050 1.410 -0.285) 1.439 5.539 ( -1.421 2.865 -0.627) 3.259 6.043 ( 5.244 -0.626 5.954) 7.959 6.133 ( -2.493 -0.077 4.293) 4.965 6.313 ( 1.766 2.674 -6.338) 7.102 6.330 ( 1.122 2.954 -5.025) 5.936 6.561 ( -0.034 6.488 -1.817) 6.738 6.612 ( -4.121 3.150 2.744) 5.868 6.811 ( 7.492 3.351 -12.349) 14.828 6.989 ( -9.124 -2.691 -13.585) 16.585 9.302 ( 1.875 4.347 9.531) 10.642 9.348 ( -2.640 3.269 7.879) 8.929 9.629 ( 0.050 11.321 -2.574) 11.610 9.661 ( -3.410 10.386 -5.543) 12.256 10.082 ( 5.282 -3.359 5.165) 8.116 10.186 ( -4.263 -7.018 8.967) 12.158 10.433 ( 7.465 1.112 -7.665) 10.757 10.590 ( -7.594 -3.073 -7.854) 11.349 12.009 ( 9.507 -10.020 11.278) 17.832 12.178 ( -5.876 -10.052 7.975) 14.112 12.380 ( 3.816 -5.111 -5.628) 8.507 12.495 ( -6.186 -4.638 -6.201) 9.911 12.881 ( 1.862 2.143 4.519) 5.337 12.923 ( -1.907 0.851 4.608) 5.059 13.043 ( 3.059 2.785 -2.269) 4.718 13.111 ( -3.437 0.026 -3.154) 4.665 ======================= Grid point 150 (55/75) ======================= q-point: ( 0.00 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( 0.000 13.123 5.178) 14.108 1.705 ( 0.000 9.176 -6.572) 11.287 1.709 ( 0.000 6.681 3.207) 7.411 1.773 ( 0.000 5.648 -1.247) 5.784 2.077 ( 0.000 2.500 2.971) 3.883 2.151 ( 0.000 -0.687 7.563) 7.594 2.276 ( 0.000 -3.192 1.735) 3.633 2.291 ( 0.000 -2.363 -6.480) 6.897 2.363 ( 0.000 -7.606 2.414) 7.980 2.425 ( 0.000 -12.613 9.265) 15.651 2.582 ( 0.000 1.304 4.492) 4.678 2.676 ( 0.000 -4.163 -0.811) 4.241 2.813 ( 0.000 1.163 1.675) 2.039 2.908 ( 0.000 -7.402 4.747) 8.794 2.961 ( 0.000 -4.847 10.470) 11.538 3.045 ( 0.000 -1.606 15.557) 15.640 3.169 ( 0.000 2.495 6.603) 7.059 3.245 ( 0.000 -7.844 5.548) 9.608 3.346 ( 0.000 -9.219 -5.566) 10.769 3.410 ( 0.000 -8.548 5.888) 10.379 3.469 ( 0.000 0.485 10.668) 10.679 3.585 ( 0.000 -0.818 -6.255) 6.309 3.797 ( 0.000 4.894 -2.737) 5.607 3.936 ( 0.000 -1.892 -10.331) 10.503 4.004 ( 0.000 -4.636 -20.594) 21.109 4.085 ( 0.000 -0.734 -12.109) 12.132 4.098 ( 0.000 -1.581 -11.885) 11.990 4.106 ( 0.000 -5.254 -10.665) 11.889 4.639 ( 0.000 4.427 3.114) 5.412 4.894 ( 0.000 -6.587 7.216) 9.770 4.972 ( 0.000 5.655 -12.772) 13.967 5.157 ( 0.000 -3.141 -5.181) 6.059 5.471 ( 0.000 5.449 7.558) 9.317 5.479 ( 0.000 3.151 4.025) 5.112 5.568 ( 0.000 5.089 0.055) 5.089 5.664 ( 0.000 1.504 -0.879) 1.742 5.997 ( 0.000 4.137 5.705) 7.048 6.160 ( 0.000 -1.503 6.416) 6.589 6.211 ( 0.000 3.827 -4.977) 6.278 6.341 ( 0.000 -0.861 -3.296) 3.407 6.751 ( 0.000 4.899 -6.713) 8.310 6.789 ( 0.000 1.994 -1.883) 2.743 6.822 ( 0.000 5.956 -9.853) 11.513 7.046 ( 0.000 -6.559 -12.321) 13.958 9.398 ( 0.000 5.262 16.498) 17.317 9.485 ( 0.000 1.141 12.874) 12.924 9.763 ( 0.000 5.148 11.950) 13.012 9.969 ( 0.000 0.678 2.482) 2.573 10.141 ( 0.000 4.913 -14.119) 14.949 10.181 ( 0.000 6.865 -10.800) 12.797 10.184 ( 0.000 -2.962 -3.719) 4.755 10.495 ( 0.000 -11.261 -8.277) 13.976 11.754 ( 0.000 2.096 14.940) 15.086 12.159 ( 0.000 -15.581 11.024) 19.087 12.202 ( 0.000 4.232 -8.468) 9.466 12.500 ( 0.000 -8.396 -7.022) 10.945 12.929 ( 0.000 3.595 0.229) 3.602 12.968 ( 0.000 2.376 -0.234) 2.387 13.005 ( 0.000 -0.730 1.945) 2.077 13.086 ( 0.000 -3.495 -1.793) 3.928 ======================= Grid point 151 (56/75) ======================= q-point: ( 0.20 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( 2.189 12.984 4.824) 14.023 1.659 ( -0.847 9.318 -1.817) 9.531 1.750 ( -0.125 5.372 1.063) 5.478 1.793 ( 1.271 4.924 -1.741) 5.375 2.067 ( 0.025 2.257 2.615) 3.454 2.167 ( 1.143 -1.809 8.172) 8.448 2.241 ( -3.705 -3.635 -1.207) 5.328 2.270 ( -1.070 -3.325 -1.906) 3.979 2.350 ( -0.587 -8.013 -0.704) 8.065 2.414 ( -1.895 -9.714 9.190) 13.506 2.539 ( -0.725 -3.007 2.646) 4.070 2.767 ( 3.871 0.256 -0.644) 3.932 2.821 ( 1.078 1.288 4.561) 4.861 2.895 ( -0.416 -6.401 5.300) 8.321 2.944 ( -3.055 -3.377 7.775) 9.010 3.017 ( -3.891 -0.346 13.410) 13.968 3.089 ( -1.703 -1.187 7.280) 7.570 3.223 ( -1.898 -10.854 3.698) 11.623 3.311 ( -4.450 -3.453 5.935) 8.183 3.437 ( 4.639 -2.926 -5.829) 8.004 3.500 ( 1.453 -1.796 9.159) 9.446 3.611 ( 0.571 -0.562 -10.514) 10.545 3.772 ( -1.068 -0.833 1.618) 2.110 3.858 ( -7.526 0.929 -5.556) 9.401 4.008 ( 1.102 -4.555 -19.083) 19.650 4.085 ( 2.953 -4.813 -13.799) 14.910 4.112 ( 2.197 -6.052 -12.664) 14.206 4.210 ( 3.757 0.390 -11.631) 12.229 4.677 ( 3.968 5.019 4.842) 8.024 4.942 ( 3.889 -4.625 8.960) 10.807 5.011 ( 4.569 4.517 -10.254) 12.101 5.206 ( 0.357 -1.154 -2.000) 2.337 5.398 ( 1.076 3.254 1.784) 3.864 5.529 ( -1.653 3.588 1.204) 4.130 5.572 ( 1.065 4.052 1.050) 4.319 5.630 ( -2.449 1.600 -0.372) 2.949 6.003 ( 1.215 3.455 7.264) 8.135 6.164 ( -0.241 -0.126 4.640) 4.648 6.266 ( 4.857 1.725 -3.320) 6.131 6.355 ( 1.343 0.497 -4.185) 4.423 6.721 ( -2.777 3.524 -4.106) 6.082 6.747 ( -3.669 3.888 -4.002) 6.678 6.829 ( 0.642 4.055 -10.177) 10.974 7.014 ( -3.106 -5.505 -12.376) 13.897 9.386 ( -0.858 4.282 15.057) 15.677 9.456 ( -2.432 1.764 12.429) 12.786 9.796 ( 2.358 5.312 10.645) 12.128 9.918 ( -4.424 4.874 -2.887) 7.188 10.041 ( -4.403 -1.259 -4.047) 6.111 10.118 ( -3.614 -1.408 -2.823) 4.797 10.331 ( 8.345 2.860 -10.111) 13.418 10.553 ( 3.410 -4.869 -11.451) 12.902 11.770 ( 1.903 -0.491 15.042) 15.170 12.087 ( -5.429 -11.809 10.100) 16.461 12.243 ( 2.631 0.149 -7.409) 7.864 12.470 ( -2.937 -7.580 -7.825) 11.283 12.921 ( -0.552 2.930 2.300) 3.765 12.955 ( -0.501 0.761 2.019) 2.215 13.036 ( 2.198 0.988 -0.764) 2.528 13.101 ( 1.010 -2.267 -2.611) 3.602 ======================= Grid point 152 (57/75) ======================= q-point: ( 0.40 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( 5.376 11.438 4.007) 13.258 1.686 ( 3.536 7.782 -1.225) 8.635 1.694 ( -4.987 8.233 3.174) 10.135 1.773 ( -3.686 4.932 -1.409) 6.316 2.101 ( 2.786 -0.907 3.437) 4.516 2.145 ( -1.962 -6.126 6.193) 8.929 2.218 ( 0.111 -1.922 -1.087) 2.211 2.236 ( -2.109 -5.118 -0.571) 5.565 2.346 ( 1.064 -8.978 2.134) 9.289 2.380 ( -1.532 -7.339 5.144) 9.092 2.573 ( 4.168 -2.098 0.780) 4.731 2.700 ( -7.348 1.204 -0.436) 7.459 2.848 ( -0.164 0.493 11.037) 11.049 2.864 ( -2.560 -1.736 7.035) 7.685 2.942 ( 3.443 -5.656 4.720) 8.132 2.975 ( -0.610 -3.320 9.717) 10.286 3.091 ( 1.915 -0.928 5.611) 6.001 3.167 ( -4.454 -2.179 4.254) 6.533 3.315 ( 5.308 -3.278 2.340) 6.663 3.446 ( -5.875 -1.211 0.079) 5.999 3.533 ( 3.611 -1.085 -7.608) 8.491 3.593 ( -2.174 -0.024 -12.630) 12.816 3.758 ( -0.467 -4.130 7.773) 8.815 3.767 ( -1.126 -2.980 2.680) 4.163 4.040 ( 1.982 -5.032 -17.950) 18.747 4.079 ( -1.602 -5.554 -15.754) 16.781 4.195 ( 3.547 -4.078 -12.897) 13.984 4.238 ( -0.635 -1.865 -12.492) 12.646 4.803 ( 8.236 5.923 8.623) 13.315 4.956 ( -4.921 3.553 10.674) 12.279 5.124 ( 5.164 2.274 -5.183) 7.661 5.172 ( -0.451 -1.641 1.036) 1.993 5.465 ( 0.540 1.491 -1.254) 2.022 5.507 ( -2.058 -0.175 0.273) 2.083 5.541 ( 2.340 3.549 -4.417) 6.130 5.608 ( -1.686 3.148 -0.795) 3.659 6.056 ( 3.903 1.564 8.104) 9.130 6.133 ( -3.028 -0.179 6.596) 7.260 6.364 ( 3.960 1.974 -5.440) 7.012 6.388 ( 1.337 2.344 -6.070) 6.643 6.660 ( -2.388 2.107 -1.054) 3.355 6.668 ( -3.256 3.381 -2.855) 5.494 6.860 ( 2.708 1.564 -12.325) 12.715 6.935 ( -4.376 -2.374 -12.624) 13.570 9.379 ( 0.452 2.841 12.866) 13.183 9.407 ( -2.175 2.196 12.015) 12.406 9.817 ( -0.048 6.810 1.197) 6.914 9.838 ( -2.727 6.558 -3.817) 8.063 10.010 ( 1.434 -3.404 3.613) 5.167 10.059 ( -2.744 -5.099 6.182) 8.470 10.484 ( 6.514 3.500 -12.107) 14.187 10.572 ( -1.883 1.150 -12.983) 13.169 11.840 ( 5.134 -5.955 14.396) 16.403 11.962 ( -6.664 -10.212 12.645) 17.567 12.306 ( 3.800 -1.858 -9.029) 9.971 12.392 ( -4.527 -5.059 -8.906) 11.198 12.923 ( 0.747 1.752 3.993) 4.424 12.942 ( -0.923 0.784 3.805) 3.993 13.081 ( 2.075 1.060 -2.746) 3.601 13.108 ( -0.498 -0.265 -3.233) 3.281 ======================= Grid point 155 (58/75) ======================= q-point: ( 0.00 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( 0.000 -7.327 2.506) 7.744 1.708 ( 0.000 7.327 2.506) 7.744 1.835 ( 0.000 -1.669 -5.478) 5.727 1.835 ( 0.000 1.669 -5.478) 5.727 2.177 ( 0.000 -5.716 0.095) 5.717 2.177 ( 0.000 5.716 0.095) 5.717 2.199 ( 0.000 -6.092 13.577) 14.881 2.199 ( 0.000 6.092 13.577) 14.881 2.267 ( 0.000 -0.267 -1.920) 1.938 2.267 ( 0.000 0.267 -1.920) 1.938 2.611 ( 0.000 -0.958 -2.185) 2.386 2.611 ( 0.000 0.958 -2.185) 2.386 2.862 ( 0.000 -3.039 6.602) 7.268 2.862 ( 0.000 3.039 6.602) 7.268 2.933 ( 0.000 -9.208 10.444) 13.924 2.933 ( 0.000 9.208 10.444) 13.924 3.220 ( 0.000 -4.231 9.650) 10.537 3.220 ( 0.000 4.231 9.650) 10.537 3.231 ( 0.000 -0.294 0.067) 0.302 3.231 ( 0.000 0.294 0.067) 0.302 3.537 ( 0.000 -3.759 0.259) 3.768 3.537 ( 0.000 3.759 0.259) 3.768 3.878 ( 0.000 -2.209 -8.409) 8.694 3.878 ( 0.000 2.209 -8.409) 8.694 3.995 ( 0.000 -3.649 -17.545) 17.920 3.995 ( 0.000 3.649 -17.545) 17.920 4.096 ( 0.000 -0.009 -10.112) 10.112 4.096 ( 0.000 0.009 -10.112) 10.112 4.753 ( 0.000 -6.683 6.110) 9.055 4.753 ( 0.000 6.683 6.110) 9.055 5.076 ( 0.000 -4.232 -8.563) 9.552 5.076 ( 0.000 4.232 -8.563) 9.552 5.522 ( 0.000 -0.027 5.811) 5.811 5.522 ( 0.000 0.027 5.811) 5.811 5.649 ( 0.000 -2.639 0.635) 2.714 5.649 ( 0.000 2.639 0.635) 2.714 6.093 ( 0.000 -4.501 6.474) 7.884 6.093 ( 0.000 4.501 6.474) 7.884 6.291 ( 0.000 -3.567 -3.875) 5.267 6.291 ( 0.000 3.567 -3.875) 5.267 6.807 ( 0.000 -0.499 -5.697) 5.719 6.807 ( 0.000 0.499 -5.697) 5.719 6.931 ( 0.000 -5.085 -10.725) 11.870 6.931 ( 0.000 5.085 -10.725) 11.870 9.474 ( 0.000 -2.158 16.550) 16.690 9.474 ( 0.000 2.158 16.550) 16.690 9.874 ( 0.000 -6.188 12.520) 13.966 9.874 ( 0.000 6.188 12.520) 13.966 10.193 ( 0.000 -0.050 -12.834) 12.834 10.193 ( 0.000 0.050 -12.834) 12.834 10.323 ( 0.000 -5.009 -12.881) 13.821 10.323 ( 0.000 5.009 -12.881) 13.821 11.881 ( 0.000 -10.681 14.329) 17.871 11.881 ( 0.000 10.681 14.329) 17.871 12.326 ( 0.000 -7.923 -8.806) 11.846 12.326 ( 0.000 7.923 -8.806) 11.846 12.984 ( 0.000 -1.593 -0.006) 1.593 12.984 ( 0.000 1.593 -0.006) 1.593 13.022 ( 0.000 -3.038 -0.173) 3.043 13.022 ( 0.000 3.038 -0.173) 3.043 ======================= Grid point 157 (59/75) ======================= q-point: ( 0.20 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( 1.802 -0.000 2.252) 2.885 1.735 ( 2.270 -0.000 2.143) 3.122 1.823 ( -0.528 -0.000 -4.480) 4.511 1.824 ( -0.912 0.000 -3.134) 3.264 2.113 ( -3.817 0.000 9.380) 10.127 2.157 ( -1.994 0.000 2.941) 3.553 2.175 ( -1.786 -0.000 1.079) 2.086 2.236 ( -3.503 0.000 5.794) 6.771 2.240 ( -0.296 -0.000 -2.837) 2.853 2.267 ( 2.226 0.000 6.409) 6.785 2.512 ( -1.847 0.000 -2.259) 2.918 2.759 ( 5.977 -0.000 -4.321) 7.375 2.858 ( 0.212 0.000 7.337) 7.340 2.867 ( -0.141 -0.000 3.383) 3.386 2.901 ( -0.997 -0.000 13.804) 13.840 3.017 ( -10.928 -0.000 7.781) 13.415 3.045 ( 6.704 0.000 -0.030) 6.704 3.106 ( -3.337 -0.000 12.266) 12.712 3.240 ( -1.885 0.000 10.029) 10.205 3.400 ( 7.161 0.000 -5.322) 8.923 3.544 ( -0.567 0.000 -1.373) 1.485 3.562 ( 1.788 -0.000 1.123) 2.111 3.765 ( -4.508 0.000 -3.928) 5.979 3.874 ( -8.976 0.000 -5.201) 10.374 3.994 ( 0.492 0.000 -14.870) 14.878 4.008 ( 0.509 -0.000 -18.908) 18.915 4.043 ( 5.836 -0.000 -14.391) 15.529 4.217 ( 2.849 0.000 -12.473) 12.794 4.769 ( 3.625 -0.000 6.926) 7.817 4.848 ( 7.058 0.000 8.735) 11.230 5.067 ( 3.403 0.000 -6.802) 7.605 5.183 ( 3.005 0.000 -5.420) 6.197 5.441 ( -0.817 -0.000 3.076) 3.183 5.567 ( -2.377 0.000 4.619) 5.194 5.618 ( -2.916 -0.000 -3.116) 4.268 5.640 ( 0.915 0.000 2.681) 2.833 6.061 ( -0.243 0.000 8.725) 8.728 6.142 ( 0.950 0.000 5.390) 5.473 6.295 ( 2.999 0.000 -3.553) 4.650 6.350 ( 3.501 0.000 -5.169) 6.243 6.753 ( -3.774 0.000 -3.376) 5.064 6.795 ( -2.963 0.000 -6.270) 6.935 6.887 ( -1.846 0.000 -11.403) 11.551 6.938 ( -0.875 -0.000 -11.355) 11.388 9.434 ( -2.150 0.000 15.049) 15.202 9.471 ( -1.575 0.000 15.711) 15.790 9.870 ( 0.904 0.000 11.517) 11.552 9.914 ( 1.960 -0.000 14.159) 14.294 10.034 ( -6.500 0.000 -11.304) 13.039 10.117 ( -8.911 0.000 -10.352) 13.659 10.375 ( 8.935 0.000 -12.843) 15.645 10.513 ( 7.482 0.000 -15.602) 17.303 11.825 ( -2.994 0.000 15.638) 15.922 11.883 ( -1.689 -0.000 13.798) 13.901 12.309 ( -0.682 0.000 -9.377) 9.402 12.334 ( -0.207 0.000 -9.380) 9.383 12.957 ( -1.463 0.000 1.692) 2.237 12.963 ( -0.946 0.000 2.381) 2.563 13.047 ( 2.403 0.000 -1.359) 2.760 13.074 ( 2.490 0.000 -2.332) 3.412 ======================= Grid point 159 (60/75) ======================= q-point: ( 0.40 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( 2.100 0.000 1.872) 2.813 1.778 ( 1.359 -0.000 1.531) 2.047 1.819 ( 0.267 0.000 -1.195) 1.224 1.820 ( 0.135 -0.000 -3.044) 3.047 2.049 ( -1.441 0.000 8.198) 8.323 2.091 ( -5.107 0.000 7.685) 9.227 2.134 ( 0.362 -0.000 0.411) 0.548 2.171 ( -2.710 0.000 -0.078) 2.711 2.256 ( 1.383 0.000 0.874) 1.636 2.281 ( -0.716 0.000 4.954) 5.006 2.557 ( 6.166 0.000 -4.083) 7.396 2.723 ( -8.749 0.000 -9.013) 12.561 2.847 ( -1.025 0.000 11.913) 11.957 2.850 ( -2.331 0.000 13.384) 13.585 2.901 ( 0.746 0.000 10.077) 10.104 2.908 ( 0.696 -0.000 7.103) 7.137 3.076 ( 3.827 0.000 2.562) 4.606 3.173 ( -4.569 0.000 5.305) 7.002 3.260 ( 10.561 0.000 4.972) 11.673 3.457 ( -8.228 0.000 0.409) 8.238 3.518 ( 4.608 0.000 -10.516) 11.481 3.579 ( -0.962 0.000 -10.608) 10.651 3.709 ( -0.585 0.000 8.032) 8.053 3.740 ( -3.596 0.000 3.337) 4.906 4.004 ( 0.387 -0.000 -17.001) 17.006 4.010 ( -0.205 0.000 -19.236) 19.237 4.151 ( 4.501 0.000 -14.740) 15.412 4.218 ( -2.125 0.000 -14.413) 14.569 4.885 ( 7.236 -0.000 9.358) 11.829 4.974 ( 2.115 0.000 10.973) 11.175 5.149 ( 2.401 0.000 -2.152) 3.224 5.152 ( -1.881 0.000 2.165) 2.868 5.490 ( 0.563 -0.000 -2.682) 2.741 5.492 ( -2.684 0.000 2.222) 3.484 5.580 ( 1.985 0.000 -4.916) 5.302 5.642 ( -1.759 0.000 -1.092) 2.071 6.081 ( 2.023 -0.000 9.018) 9.242 6.126 ( -2.000 0.000 6.898) 7.183 6.384 ( 4.456 0.000 -4.828) 6.570 6.413 ( 1.950 0.000 -6.734) 7.010 6.680 ( -2.395 0.000 -1.475) 2.813 6.706 ( -4.526 0.000 -3.948) 6.005 6.877 ( 0.689 0.000 -12.584) 12.603 6.906 ( -1.940 -0.000 -12.309) 12.461 9.408 ( -0.123 0.000 13.701) 13.701 9.430 ( -2.037 0.000 13.878) 14.027 9.889 ( 0.710 -0.000 5.633) 5.678 9.913 ( -2.020 -0.000 0.581) 2.102 9.970 ( 0.168 0.000 4.134) 4.137 9.995 ( -3.030 0.000 -1.470) 3.368 10.531 ( 6.103 0.000 -14.508) 15.739 10.594 ( 0.281 0.000 -16.114) 16.116 11.793 ( 0.237 0.000 15.944) 15.946 11.830 ( -2.961 0.000 14.635) 14.932 12.305 ( 0.286 0.000 -10.203) 10.207 12.319 ( -0.996 -0.000 -10.208) 10.257 12.943 ( -0.032 0.000 3.519) 3.519 12.949 ( -0.513 -0.000 3.711) 3.747 13.091 ( 1.674 0.000 -2.731) 3.203 13.105 ( 0.434 0.000 -3.113) 3.143 ======================= Grid point 180 (61/75) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 0.000 0.000 -12.509) 12.509 1.079 ( 0.000 0.000 12.509) 12.509 1.492 ( 0.000 0.000 -6.196) 6.196 1.492 ( 0.000 0.000 6.196) 6.196 2.258 ( 0.000 0.000 -7.698) 7.698 2.258 ( 0.000 0.000 7.698) 7.698 2.365 ( 0.000 0.000 -3.611) 3.611 2.365 ( 0.000 0.000 3.611) 3.611 2.740 ( 0.000 0.000 -7.330) 7.330 2.740 ( 0.000 0.000 7.330) 7.330 2.794 ( 0.000 0.000 -19.262) 19.262 2.794 ( 0.000 0.000 19.262) 19.262 3.197 ( 0.000 0.000 -2.106) 2.106 3.197 ( 0.000 0.000 2.106) 2.106 3.279 ( 0.000 0.000 -11.122) 11.122 3.279 ( 0.000 0.000 11.122) 11.122 3.414 ( 0.000 0.000 -7.750) 7.750 3.414 ( 0.000 0.000 7.750) 7.750 3.591 ( 0.000 0.000 -6.459) 6.459 3.591 ( 0.000 0.000 6.459) 6.459 3.801 ( 0.000 0.000 -15.530) 15.530 3.801 ( 0.000 0.000 15.530) 15.530 3.836 ( 0.000 0.000 -23.872) 23.872 3.836 ( 0.000 0.000 23.872) 23.872 4.013 ( 0.000 0.000 -14.612) 14.612 4.013 ( 0.000 0.000 14.612) 14.612 4.361 ( 0.000 0.000 -9.163) 9.163 4.361 ( 0.000 0.000 9.163) 9.163 4.542 ( 0.000 0.000 -4.983) 4.983 4.542 ( 0.000 0.000 4.983) 4.983 5.086 ( 0.000 0.000 -2.356) 2.356 5.086 ( 0.000 0.000 2.356) 2.356 5.160 ( 0.000 0.000 -10.472) 10.472 5.160 ( 0.000 0.000 10.472) 10.472 5.452 ( 0.000 0.000 -5.067) 5.067 5.452 ( 0.000 0.000 5.067) 5.067 6.062 ( 0.000 0.000 -3.695) 3.695 6.062 ( 0.000 0.000 3.695) 3.695 6.082 ( 0.000 0.000 -1.029) 1.029 6.082 ( 0.000 0.000 1.029) 1.029 6.365 ( 0.000 0.000 -2.402) 2.402 6.365 ( 0.000 0.000 2.402) 2.402 7.046 ( 0.000 0.000 -17.787) 17.787 7.046 ( 0.000 0.000 17.787) 17.787 9.216 ( 0.000 0.000 -4.737) 4.737 9.216 ( 0.000 0.000 4.737) 4.737 9.419 ( 0.000 0.000 -4.500) 4.500 9.419 ( 0.000 0.000 4.500) 4.500 10.012 ( 0.000 0.000 -5.577) 5.577 10.012 ( 0.000 0.000 5.577) 5.577 10.964 ( 0.000 0.000 -14.326) 14.326 10.964 ( 0.000 0.000 14.326) 14.326 12.034 ( 0.000 0.000 -6.920) 6.920 12.034 ( 0.000 0.000 6.920) 6.920 12.590 ( 0.000 0.000 -4.318) 4.318 12.590 ( 0.000 0.000 4.318) 4.318 12.833 ( 0.000 0.000 -0.421) 0.421 12.833 ( 0.000 0.000 0.421) 0.421 13.288 ( 0.000 0.000 -10.080) 10.080 13.288 ( 0.000 0.000 10.080) 10.080 ======================= Grid point 182 (62/75) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( 9.401 0.000 -10.152) 13.836 1.181 ( 9.401 0.000 10.152) 13.836 1.533 ( 3.372 0.000 -4.701) 5.786 1.533 ( 3.372 0.000 4.701) 5.786 2.255 ( -1.161 0.000 -7.393) 7.483 2.255 ( -1.161 0.000 7.393) 7.483 2.305 ( -5.004 0.000 -5.251) 7.253 2.305 ( -5.004 0.000 5.251) 7.253 2.700 ( -2.241 0.000 -12.225) 12.429 2.700 ( -2.241 0.000 12.225) 12.429 2.814 ( 0.081 0.000 -12.798) 12.798 2.814 ( 0.081 0.000 12.798) 12.798 3.128 ( -3.491 0.000 -3.750) 5.123 3.128 ( -3.491 0.000 3.750) 5.123 3.293 ( 0.502 0.000 -11.049) 11.061 3.293 ( 0.502 0.000 11.049) 11.061 3.407 ( -5.944 0.000 -2.772) 6.559 3.407 ( -5.944 0.000 2.772) 6.559 3.421 ( -7.160 0.000 -2.847) 7.705 3.421 ( -7.160 0.000 2.847) 7.705 3.824 ( 1.640 0.000 -15.882) 15.966 3.824 ( 1.640 0.000 15.882) 15.966 3.861 ( 0.377 0.000 -14.549) 14.554 3.861 ( 0.377 0.000 14.549) 14.554 4.130 ( 9.979 0.000 -3.684) 10.637 4.130 ( 9.979 0.000 3.684) 10.637 4.410 ( 2.948 0.000 -4.995) 5.800 4.410 ( 2.948 0.000 4.995) 5.800 4.576 ( 3.452 0.000 -5.334) 6.354 4.576 ( 3.452 0.000 5.334) 6.354 4.972 ( -7.603 0.000 -6.798) 10.199 4.972 ( -7.603 0.000 6.798) 10.199 5.256 ( 5.998 0.000 -6.056) 8.523 5.256 ( 5.998 0.000 6.056) 8.523 5.459 ( 0.166 0.000 -4.841) 4.844 5.459 ( 0.166 0.000 4.841) 4.844 6.062 ( 1.808 0.000 -0.723) 1.947 6.062 ( 1.808 0.000 0.723) 1.947 6.198 ( 9.691 0.000 -4.212) 10.567 6.198 ( 9.691 0.000 4.212) 10.567 6.329 ( -3.485 0.000 -2.169) 4.105 6.329 ( -3.485 0.000 2.169) 4.105 6.964 ( -7.967 0.000 -16.939) 18.719 6.964 ( -7.967 0.000 16.939) 18.719 9.226 ( 1.024 0.000 -3.878) 4.011 9.226 ( 1.024 0.000 3.878) 4.011 9.382 ( -3.185 0.000 -3.442) 4.689 9.382 ( -3.185 0.000 3.442) 4.689 10.100 ( 8.167 0.000 -6.078) 10.180 10.100 ( 8.167 0.000 6.078) 10.180 10.840 ( -11.091 0.000 -11.785) 16.183 10.840 ( -11.091 0.000 11.785) 16.183 12.154 ( 10.422 0.000 -3.769) 11.082 12.154 ( 10.422 0.000 3.769) 11.082 12.582 ( -1.014 0.000 -4.111) 4.234 12.582 ( -1.014 0.000 4.111) 4.234 12.844 ( 1.305 0.000 -0.649) 1.457 12.844 ( 1.305 0.000 0.649) 1.457 13.214 ( -6.942 0.000 -8.452) 10.938 13.214 ( -6.942 0.000 8.452) 10.938 ======================= Grid point 184 (63/75) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 11.394 0.000 -5.239) 12.540 1.404 ( 11.394 0.000 5.239) 12.540 1.561 ( -2.713 0.000 -0.167) 2.718 1.561 ( -2.713 0.000 0.167) 2.718 2.193 ( -1.893 0.000 -6.861) 7.117 2.193 ( -1.893 0.000 6.861) 7.117 2.227 ( -3.660 0.000 -6.561) 7.513 2.227 ( -3.660 0.000 6.561) 7.513 2.697 ( 2.467 0.000 -11.023) 11.296 2.697 ( 2.467 0.000 11.023) 11.296 2.773 ( -3.883 0.000 -10.629) 11.316 2.773 ( -3.883 0.000 10.629) 11.316 3.111 ( 1.787 0.000 -1.709) 2.473 3.111 ( 1.787 0.000 1.709) 2.473 3.204 ( -7.750 0.000 -3.417) 8.470 3.204 ( -7.750 0.000 3.417) 8.470 3.317 ( 2.108 0.000 -13.557) 13.719 3.317 ( 2.108 0.000 13.557) 13.719 3.372 ( -2.975 0.000 -13.210) 13.541 3.372 ( -2.975 0.000 13.210) 13.541 3.852 ( 1.109 0.000 -17.144) 17.180 3.852 ( 1.109 0.000 17.144) 17.180 3.865 ( -0.098 0.000 -11.158) 11.159 3.865 ( -0.098 0.000 11.158) 11.159 4.321 ( 7.952 0.000 -1.081) 8.025 4.321 ( 7.952 0.000 1.081) 8.025 4.423 ( -2.121 0.000 -2.563) 3.327 4.423 ( -2.121 0.000 2.563) 3.327 4.674 ( 6.195 0.000 -6.226) 8.783 4.674 ( 6.195 0.000 6.226) 8.783 4.816 ( -7.761 0.000 -7.557) 10.832 4.816 ( -7.761 0.000 7.557) 10.832 5.368 ( 4.919 0.000 -4.779) 6.858 5.368 ( 4.919 0.000 4.779) 6.858 5.441 ( -2.219 0.000 -4.626) 5.131 5.441 ( -2.219 0.000 4.626) 5.131 6.130 ( 4.688 0.000 -0.281) 4.697 6.130 ( 4.688 0.000 0.281) 4.697 6.235 ( -5.386 0.000 -1.217) 5.522 6.235 ( -5.386 0.000 1.217) 5.522 6.450 ( 14.630 0.000 -9.600) 17.499 6.450 ( 14.630 0.000 9.600) 17.499 6.743 ( -13.700 0.000 -14.279) 19.788 6.743 ( -13.700 0.000 14.279) 19.788 9.258 ( 2.200 0.000 -1.659) 2.756 9.258 ( 2.200 0.000 1.659) 2.756 9.314 ( -3.281 0.000 -1.075) 3.453 9.314 ( -3.281 0.000 1.075) 3.453 10.311 ( 12.513 0.000 -7.088) 14.382 10.311 ( 12.513 0.000 7.088) 14.382 10.580 ( -13.939 0.000 -8.752) 16.458 10.580 ( -13.939 0.000 8.752) 16.458 12.378 ( 10.534 0.000 -0.762) 10.561 12.378 ( 10.534 0.000 0.762) 10.561 12.532 ( -4.650 0.000 -3.282) 5.692 12.532 ( -4.650 0.000 3.282) 5.692 12.900 ( 4.831 0.000 -1.736) 5.133 12.900 ( 4.831 0.000 1.736) 5.133 13.043 ( -9.012 0.000 -4.741) 10.182 13.043 ( -9.012 0.000 4.741) 10.182 ======================= Grid point 190 (64/75) ======================= q-point: ( 0.00 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( 0.000 7.607 -11.002) 13.376 1.161 ( 0.000 7.607 11.002) 13.376 1.528 ( 0.000 3.558 -5.096) 6.215 1.528 ( 0.000 3.558 5.096) 6.215 2.248 ( 0.000 -0.800 -7.477) 7.520 2.248 ( 0.000 -0.800 7.477) 7.520 2.315 ( 0.000 -4.467 -5.430) 7.031 2.315 ( 0.000 -4.467 5.430) 7.031 2.719 ( 0.000 -2.118 -6.909) 7.226 2.719 ( 0.000 -2.118 6.909) 7.226 2.774 ( 0.000 -2.141 -15.563) 15.710 2.774 ( 0.000 -2.141 15.563) 15.710 3.153 ( 0.000 -4.580 -5.037) 6.807 3.153 ( 0.000 -4.580 5.037) 6.807 3.268 ( 0.000 -0.757 -11.288) 11.313 3.268 ( 0.000 -0.757 11.288) 11.313 3.414 ( 0.000 -1.313 -11.117) 11.194 3.414 ( 0.000 -1.313 11.117) 11.194 3.573 ( 0.000 -0.292 -2.962) 2.976 3.573 ( 0.000 -0.292 2.962) 2.976 3.666 ( 0.000 -10.053 -10.473) 14.517 3.666 ( 0.000 -10.053 10.473) 14.517 3.868 ( 0.000 2.335 -18.743) 18.888 3.868 ( 0.000 2.335 18.743) 18.888 4.007 ( 0.000 -2.463 -16.332) 16.517 4.007 ( 0.000 -2.463 16.332) 16.517 4.275 ( 0.000 -8.782 -4.840) 10.027 4.275 ( 0.000 -8.782 4.840) 10.027 4.549 ( 0.000 1.630 -3.861) 4.191 4.549 ( 0.000 1.630 3.861) 4.191 5.094 ( 0.000 1.223 -4.192) 4.367 5.094 ( 0.000 1.223 4.192) 4.367 5.270 ( 0.000 9.389 -9.137) 13.101 5.270 ( 0.000 9.389 9.137) 13.101 5.444 ( 0.000 -0.605 -3.520) 3.572 5.444 ( 0.000 -0.605 3.520) 3.572 6.047 ( 0.000 -0.885 -4.155) 4.249 6.047 ( 0.000 -0.885 4.155) 4.249 6.132 ( 0.000 4.408 -2.805) 5.225 6.132 ( 0.000 4.408 2.805) 5.225 6.434 ( 0.000 6.015 -2.245) 6.420 6.434 ( 0.000 6.015 2.245) 6.420 7.011 ( 0.000 -3.223 -15.926) 16.249 7.011 ( 0.000 -3.223 15.926) 16.249 9.312 ( 0.000 8.896 -7.132) 11.402 9.312 ( 0.000 8.896 7.132) 11.402 9.475 ( 0.000 5.367 -6.204) 8.203 9.475 ( 0.000 5.367 6.204) 8.203 10.002 ( 0.000 -0.866 -5.725) 5.790 10.002 ( 0.000 -0.866 5.725) 5.790 10.851 ( 0.000 -10.420 -13.000) 16.661 10.851 ( 0.000 -10.420 13.000) 16.661 12.020 ( 0.000 -1.298 -7.569) 7.680 12.020 ( 0.000 -1.298 7.569) 7.680 12.600 ( 0.000 0.130 -3.676) 3.678 12.600 ( 0.000 0.130 3.676) 3.678 12.849 ( 0.000 1.557 -1.204) 1.968 12.849 ( 0.000 1.557 1.204) 1.968 13.225 ( 0.000 -5.546 -8.546) 10.187 13.225 ( 0.000 -5.546 8.546) 10.187 ======================= Grid point 192 (65/75) ======================= q-point: ( 0.20 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( 7.177 5.299 -9.181) 12.801 1.236 ( 7.177 5.299 9.181) 12.801 1.571 ( 3.247 3.621 -3.504) 5.994 1.571 ( 3.247 3.621 3.504) 5.994 2.219 ( -3.319 -2.745 -1.090) 4.443 2.219 ( -3.319 -2.745 1.090) 4.443 2.295 ( -1.092 -1.258 -1.106) 2.000 2.295 ( -1.092 -1.258 1.106) 2.000 2.680 ( -2.279 -2.205 -10.150) 10.634 2.680 ( -2.279 -2.205 10.150) 10.634 2.795 ( 0.171 -1.907 -8.918) 9.121 2.795 ( 0.171 -1.907 8.918) 9.121 3.106 ( -2.656 -2.696 -4.489) 5.871 3.106 ( -2.656 -2.696 4.489) 5.871 3.276 ( -0.598 -1.804 -11.167) 11.327 3.276 ( -0.598 -1.804 11.167) 11.327 3.356 ( -7.028 -3.854 -9.168) 12.177 3.356 ( -7.028 -3.854 9.168) 12.177 3.416 ( -6.334 -0.779 -6.658) 9.222 3.416 ( -6.334 -0.779 6.658) 9.222 3.735 ( 3.450 -5.904 -11.027) 12.975 3.735 ( 3.450 -5.904 11.027) 12.975 3.884 ( -1.101 -0.199 -8.846) 8.916 3.884 ( -1.101 -0.199 8.846) 8.916 4.097 ( 8.720 -3.043 -5.614) 10.808 4.097 ( 8.720 -3.043 5.614) 10.808 4.311 ( 2.203 -9.060 -2.447) 9.640 4.311 ( 2.203 -9.060 2.447) 9.640 4.597 ( 4.707 2.425 -4.695) 7.077 4.597 ( 4.707 2.425 4.695) 7.077 5.042 ( -5.538 5.663 -6.362) 10.159 5.042 ( -5.538 5.663 6.362) 10.159 5.301 ( 3.747 3.957 -5.146) 7.495 5.301 ( 3.747 3.957 5.146) 7.495 5.466 ( 1.170 0.999 -3.111) 3.470 5.466 ( 1.170 0.999 3.111) 3.470 6.063 ( 2.086 0.009 -2.670) 3.388 6.063 ( 2.086 0.009 2.670) 3.388 6.196 ( 4.975 1.410 -1.536) 5.394 6.196 ( 4.975 1.410 1.536) 5.394 6.419 ( -0.423 6.957 -2.977) 7.579 6.419 ( -0.423 6.957 2.977) 7.579 6.941 ( -6.902 -2.255 -15.192) 16.838 6.941 ( -6.902 -2.255 15.192) 16.838 9.314 ( 0.270 8.131 -6.318) 10.300 9.314 ( 0.270 8.131 6.318) 10.300 9.437 ( -3.212 5.226 -5.314) 8.116 9.437 ( -3.212 5.226 5.314) 8.116 10.088 ( 7.860 -1.038 -6.276) 10.112 10.088 ( 7.860 -1.038 6.276) 10.112 10.750 ( -9.186 -8.301 -11.211) 16.703 10.750 ( -9.186 -8.301 11.211) 16.703 12.118 ( 8.817 -3.096 -5.684) 10.937 12.118 ( 8.817 -3.096 5.684) 10.937 12.579 ( -2.352 -1.168 -3.351) 4.257 12.579 ( -2.352 -1.168 3.351) 4.257 12.864 ( 1.684 1.937 -1.590) 3.019 12.864 ( 1.684 1.937 1.590) 3.019 13.167 ( -5.385 -4.034 -7.289) 9.919 13.167 ( -5.385 -4.034 7.289) 9.919 ======================= Grid point 194 (66/75) ======================= q-point: ( 0.40 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( 10.160 1.844 -5.462) 11.681 1.419 ( 10.160 1.844 5.462) 11.681 1.580 ( -4.162 1.857 -1.385) 4.764 1.580 ( -4.162 1.857 1.385) 4.764 2.179 ( 1.262 -0.447 -3.850) 4.076 2.179 ( 1.262 -0.447 3.850) 4.076 2.251 ( -3.953 1.185 -3.696) 5.540 2.251 ( -3.953 1.185 3.696) 5.540 2.671 ( 2.196 -2.590 -8.768) 9.403 2.671 ( 2.196 -2.590 8.768) 9.403 2.750 ( -4.303 -2.280 -7.333) 8.802 2.750 ( -4.303 -2.280 7.333) 8.802 3.093 ( 1.515 -2.032 -2.075) 3.276 3.093 ( 1.515 -2.032 2.075) 3.276 3.168 ( -6.238 -3.249 -5.410) 8.873 3.168 ( -6.238 -3.249 5.410) 8.873 3.303 ( 0.977 -0.855 -11.855) 11.926 3.303 ( 0.977 -0.855 11.855) 11.926 3.343 ( -2.749 -2.213 -11.746) 12.264 3.343 ( -2.749 -2.213 11.746) 12.264 3.797 ( 2.811 -4.655 -8.333) 9.950 3.797 ( 2.811 -4.655 8.333) 9.950 3.847 ( -2.249 -2.871 -3.280) 4.905 3.847 ( -2.249 -2.871 3.280) 4.905 4.257 ( 6.051 -5.524 -0.450) 8.205 4.257 ( 6.051 -5.524 0.450) 8.205 4.326 ( -1.080 -8.124 -0.784) 8.233 4.326 ( -1.080 -8.124 0.784) 8.233 4.726 ( 7.902 4.638 -7.047) 11.559 4.726 ( 7.902 4.638 7.047) 11.559 4.895 ( -8.482 6.670 -8.224) 13.567 4.895 ( -8.482 6.670 8.224) 13.567 5.395 ( 4.702 2.151 -3.550) 6.272 5.395 ( 4.702 2.151 3.550) 6.272 5.462 ( -1.784 1.985 -3.193) 4.162 5.462 ( -1.784 1.985 3.193) 4.162 6.133 ( 4.586 0.444 -1.713) 4.915 6.133 ( 4.586 0.444 1.713) 4.915 6.222 ( -3.218 -0.152 -1.574) 3.586 6.222 ( -3.218 -0.152 1.574) 3.586 6.514 ( 10.370 4.941 -8.325) 14.187 6.514 ( 10.370 4.941 8.325) 14.187 6.750 ( -11.700 0.458 -12.800) 17.347 6.750 ( -11.700 0.458 12.800) 17.347 9.329 ( 1.398 6.599 -4.605) 8.167 9.329 ( 1.398 6.599 4.605) 8.167 9.372 ( -2.904 5.502 -4.061) 7.429 9.372 ( -2.904 5.502 4.061) 7.429 10.286 ( 11.509 -2.248 -7.272) 13.799 10.286 ( 11.509 -2.248 7.272) 13.799 10.528 ( -12.262 -4.812 -8.761) 15.820 10.528 ( -12.262 -4.812 8.761) 15.820 12.320 ( 10.303 -5.167 -3.431) 12.026 12.320 ( 10.303 -5.167 3.431) 12.026 12.493 ( -6.535 -4.092 -2.994) 8.271 12.493 ( -6.535 -4.092 2.994) 8.271 12.923 ( 4.370 2.024 -2.677) 5.510 12.923 ( 4.370 2.024 2.677) 5.510 13.038 ( -6.799 -0.414 -4.634) 8.238 13.038 ( -6.799 -0.414 4.634) 8.238 ======================= Grid point 200 (67/75) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( 0.000 11.325 -7.963) 13.844 1.359 ( 0.000 11.325 7.963) 13.844 1.629 ( 0.000 6.113 -2.975) 6.799 1.629 ( 0.000 6.113 2.975) 6.799 2.216 ( 0.000 -4.539 -6.958) 8.307 2.216 ( 0.000 -4.539 6.958) 8.307 2.238 ( 0.000 0.051 -6.452) 6.452 2.238 ( 0.000 0.051 6.452) 6.452 2.656 ( 0.000 -4.238 -7.240) 8.389 2.656 ( 0.000 -4.238 7.240) 8.389 2.700 ( 0.000 -5.327 -6.445) 8.362 2.700 ( 0.000 -5.327 6.445) 8.362 3.009 ( 0.000 -8.957 -7.760) 11.851 3.009 ( 0.000 -8.957 7.760) 11.851 3.243 ( 0.000 -2.395 -11.151) 11.406 3.243 ( 0.000 -2.395 11.151) 11.406 3.367 ( 0.000 -1.558 -12.541) 12.638 3.367 ( 0.000 -1.558 12.541) 12.638 3.484 ( 0.000 -6.878 -10.110) 12.228 3.484 ( 0.000 -6.878 10.110) 12.228 3.591 ( 0.000 0.429 -8.412) 8.423 3.591 ( 0.000 0.429 8.412) 8.423 3.863 ( 0.000 -5.749 -3.476) 6.719 3.863 ( 0.000 -5.749 3.476) 6.719 3.951 ( 0.000 0.214 -13.200) 13.201 3.951 ( 0.000 0.214 13.200) 13.201 4.042 ( 0.000 -12.116 -2.420) 12.356 4.042 ( 0.000 -12.116 2.420) 12.356 4.622 ( 0.000 5.425 -5.816) 7.954 4.622 ( 0.000 5.425 5.816) 7.954 5.110 ( 0.000 -1.014 -5.400) 5.494 5.110 ( 0.000 -1.014 5.400) 5.494 5.458 ( 0.000 2.780 -0.485) 2.822 5.458 ( 0.000 2.780 0.485) 2.822 5.470 ( 0.000 9.143 -7.111) 11.583 5.470 ( 0.000 9.143 7.111) 11.583 6.048 ( 0.000 1.365 -5.032) 5.214 6.048 ( 0.000 1.365 5.032) 5.214 6.226 ( 0.000 3.988 -4.048) 5.682 6.226 ( 0.000 3.988 4.048) 5.682 6.573 ( 0.000 7.106 -1.819) 7.335 6.573 ( 0.000 7.106 1.819) 7.335 6.929 ( 0.000 -4.498 -11.801) 12.629 6.929 ( 0.000 -4.498 11.801) 12.629 9.535 ( 0.000 12.033 -12.068) 17.042 9.535 ( 0.000 12.033 12.068) 17.042 9.616 ( 0.000 7.967 -10.044) 12.820 9.616 ( 0.000 7.967 10.044) 12.820 9.988 ( 0.000 -0.196 -6.392) 6.395 9.988 ( 0.000 -0.196 6.392) 6.395 10.591 ( 0.000 -14.217 -10.733) 17.813 10.591 ( 0.000 -14.217 10.733) 17.813 11.994 ( 0.000 -0.801 -9.195) 9.230 11.994 ( 0.000 -0.801 9.195) 9.230 12.545 ( 0.000 -6.512 -4.232) 7.766 12.545 ( 0.000 -6.512 4.232) 7.766 12.892 ( 0.000 2.621 -1.643) 3.094 12.892 ( 0.000 2.621 1.643) 3.094 13.110 ( 0.000 -4.681 -4.622) 6.578 13.110 ( 0.000 -4.681 4.622) 6.578 ======================= Grid point 202 (68/75) ======================= q-point: ( 0.20 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( 3.193 9.297 -6.630) 11.857 1.386 ( 3.193 9.297 6.630) 11.857 1.667 ( 2.194 5.516 -1.470) 6.116 1.667 ( 2.194 5.516 1.470) 6.116 2.166 ( -2.570 -2.258 -5.183) 6.211 2.166 ( -2.570 -2.258 5.183) 6.211 2.267 ( 1.163 -1.063 -4.264) 4.546 2.267 ( 1.163 -1.063 4.264) 4.546 2.599 ( -2.821 -5.928 -5.548) 8.595 2.599 ( -2.821 -5.928 5.548) 8.595 2.737 ( 0.510 -3.899 -3.990) 5.602 2.737 ( 0.510 -3.899 3.990) 5.602 3.002 ( -0.215 -7.289 -6.198) 9.570 3.002 ( -0.215 -7.289 6.198) 9.570 3.213 ( -4.618 -3.991 -7.727) 9.846 3.213 ( -4.618 -3.991 7.727) 9.846 3.306 ( -2.744 -0.870 -6.519) 7.126 3.306 ( -2.744 -0.870 6.519) 7.126 3.394 ( -5.571 -1.193 -2.179) 6.100 3.394 ( -5.571 -1.193 2.179) 6.100 3.637 ( 2.612 -3.732 -7.416) 8.703 3.637 ( 2.612 -3.732 7.416) 8.703 3.821 ( -3.783 -5.725 -3.135) 7.544 3.821 ( -3.783 -5.725 3.135) 7.544 4.018 ( 6.039 -5.597 -4.538) 9.401 4.018 ( 6.039 -5.597 4.538) 9.401 4.107 ( 3.931 -8.377 -4.705) 10.381 4.107 ( 3.931 -8.377 4.705) 10.381 4.681 ( 5.931 5.820 -7.167) 10.973 4.681 ( 5.931 5.820 7.167) 10.973 5.138 ( 0.295 2.130 -6.603) 6.944 5.138 ( 0.295 2.130 6.603) 6.944 5.378 ( -1.954 3.963 -3.141) 5.421 5.378 ( -1.954 3.963 3.141) 5.421 5.526 ( 1.340 4.823 -1.646) 5.269 5.526 ( 1.340 4.823 1.646) 5.269 6.077 ( 2.843 1.735 -4.972) 5.985 6.077 ( 2.843 1.735 4.972) 5.985 6.250 ( 1.712 2.920 -1.999) 3.931 6.250 ( 1.712 2.920 1.999) 3.931 6.564 ( -0.227 6.833 -2.596) 7.313 6.564 ( -0.227 6.833 2.596) 7.313 6.881 ( -4.739 -3.435 -11.264) 12.694 6.881 ( -4.739 -3.435 11.264) 12.694 9.516 ( -1.532 10.734 -11.044) 15.477 9.516 ( -1.532 10.734 11.044) 15.477 9.573 ( -3.362 7.695 -9.142) 12.414 9.573 ( -3.362 7.695 9.142) 12.414 10.070 ( 7.198 -0.275 -7.205) 10.188 10.070 ( 7.198 -0.275 7.205) 10.188 10.541 ( -4.826 -11.435 -10.221) 16.078 10.541 ( -4.826 -11.435 10.221) 16.078 12.052 ( 5.587 -2.801 -8.536) 10.579 12.052 ( 5.587 -2.801 8.536) 10.579 12.497 ( -4.696 -7.330 -4.755) 9.920 12.497 ( -4.696 -7.330 4.755) 9.920 12.913 ( 2.050 2.696 -2.188) 4.032 12.913 ( 2.050 2.696 2.188) 4.032 13.088 ( -2.103 -3.079 -4.433) 5.792 13.088 ( -2.103 -3.079 4.433) 5.792 ======================= Grid point 204 (69/75) ======================= q-point: ( 0.40 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( 7.308 5.830 -4.632) 10.433 1.494 ( 7.308 5.830 4.632) 10.433 1.639 ( -5.593 4.091 -2.686) 7.432 1.639 ( -5.593 4.091 2.686) 7.432 2.174 ( 3.677 -0.429 -4.311) 5.682 2.174 ( 3.677 -0.429 4.311) 5.682 2.256 ( -2.863 -0.761 -3.687) 4.729 2.256 ( -2.863 -0.761 3.687) 4.729 2.589 ( 2.509 -5.600 -3.960) 7.303 2.589 ( 2.509 -5.600 3.960) 7.303 2.682 ( -5.331 -4.492 -3.413) 7.761 2.682 ( -5.331 -4.492 3.413) 7.761 3.023 ( 2.558 -4.410 -2.580) 5.714 3.023 ( 2.558 -4.410 2.580) 5.714 3.099 ( -5.005 -2.950 -4.819) 7.549 3.099 ( -5.005 -2.950 4.819) 7.549 3.290 ( 0.133 -0.844 -8.151) 8.196 3.290 ( 0.133 -0.844 8.151) 8.196 3.311 ( -2.409 -0.678 -7.116) 7.543 3.311 ( -2.409 -0.678 7.116) 7.543 3.687 ( 2.645 -5.454 -8.425) 10.379 3.687 ( 2.645 -5.454 8.425) 10.379 3.747 ( -3.411 -6.023 -7.022) 9.860 3.747 ( -3.411 -6.023 7.022) 9.860 4.121 ( 3.596 -7.948 -4.550) 9.839 4.121 ( 3.596 -7.948 4.550) 9.839 4.153 ( 0.401 -7.836 -4.519) 9.055 4.153 ( 0.401 -7.836 4.519) 9.055 4.846 ( 9.831 6.824 -9.108) 15.039 4.846 ( 9.831 6.824 9.108) 15.039 5.040 ( -8.772 6.824 -8.857) 14.212 5.040 ( -8.772 6.824 8.857) 14.212 5.431 ( 5.144 1.284 -1.693) 5.566 5.431 ( 5.144 1.284 1.693) 5.566 5.514 ( -2.587 2.782 -1.717) 4.169 5.514 ( -2.587 2.782 1.717) 4.169 6.157 ( 4.899 2.104 -4.297) 6.847 6.157 ( 4.899 2.104 4.297) 6.847 6.245 ( -2.913 2.044 -2.458) 4.325 6.245 ( -2.913 2.044 2.458) 4.325 6.610 ( 5.442 4.123 -6.270) 9.270 6.610 ( 5.442 4.123 6.270) 9.270 6.752 ( -7.661 -0.338 -9.503) 12.211 6.752 ( -7.661 -0.338 9.503) 12.211 9.494 ( -0.298 8.686 -8.990) 12.504 9.494 ( -0.298 8.686 8.990) 12.504 9.513 ( -2.221 7.788 -8.182) 11.512 9.513 ( -2.221 7.788 8.182) 11.512 10.238 ( 8.969 -2.074 -8.247) 12.359 10.238 ( 8.969 -2.074 8.247) 12.359 10.410 ( -7.973 -6.134 -9.216) 13.643 10.410 ( -7.973 -6.134 9.216) 13.643 12.198 ( 8.472 -6.272 -7.167) 12.746 12.198 ( 8.472 -6.272 7.167) 12.746 12.367 ( -7.959 -7.960 -5.865) 12.693 12.367 ( -7.959 -7.960 5.865) 12.693 12.968 ( 3.194 2.125 -3.267) 5.039 12.968 ( 3.194 2.125 3.267) 5.039 13.033 ( -3.219 0.017 -3.987) 5.125 13.033 ( -3.219 0.017 3.987) 5.125 ======================= Grid point 210 (70/75) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( 0.000 10.813 -5.202) 11.999 1.589 ( 0.000 10.813 5.202) 11.999 1.747 ( 0.000 4.489 -1.337) 4.684 1.747 ( 0.000 4.489 1.337) 4.684 2.162 ( 0.000 -0.430 -5.587) 5.604 2.162 ( 0.000 -0.430 5.587) 5.604 2.241 ( 0.000 -0.475 -3.041) 3.078 2.241 ( 0.000 -0.475 3.041) 3.078 2.541 ( 0.000 -6.603 -10.306) 12.240 2.541 ( 0.000 -6.603 10.306) 12.240 2.571 ( 0.000 -6.666 -4.568) 8.081 2.571 ( 0.000 -6.666 4.568) 8.081 2.879 ( 0.000 -1.556 -3.752) 4.062 2.879 ( 0.000 -1.556 3.752) 4.062 3.150 ( 0.000 -7.294 -10.011) 12.387 3.150 ( 0.000 -7.294 10.011) 12.387 3.369 ( 0.000 0.677 -5.494) 5.536 3.369 ( 0.000 0.677 5.494) 5.536 3.393 ( 0.000 -2.554 -9.717) 10.047 3.393 ( 0.000 -2.554 9.717) 10.047 3.542 ( 0.000 -3.423 -17.731) 18.059 3.542 ( 0.000 -3.423 17.731) 18.059 3.708 ( 0.000 -8.097 -12.084) 14.546 3.708 ( 0.000 -8.097 12.084) 14.546 3.901 ( 0.000 -1.065 -8.069) 8.139 3.901 ( 0.000 -1.065 8.069) 8.139 3.959 ( 0.000 -0.524 -2.093) 2.158 3.959 ( 0.000 -0.524 2.093) 2.158 4.754 ( 0.000 7.294 -8.432) 11.150 4.754 ( 0.000 7.294 8.432) 11.150 5.038 ( 0.000 -5.626 -6.686) 8.738 5.038 ( 0.000 -5.626 6.686) 8.738 5.547 ( 0.000 4.962 -2.374) 5.500 5.547 ( 0.000 4.962 2.374) 5.500 5.604 ( 0.000 3.754 -5.120) 6.349 5.604 ( 0.000 3.754 5.120) 6.349 6.108 ( 0.000 4.368 -5.328) 6.890 6.108 ( 0.000 4.368 5.328) 6.890 6.264 ( 0.000 -0.597 -4.373) 4.413 6.264 ( 0.000 -0.597 4.373) 4.413 6.700 ( 0.000 5.257 -1.975) 5.615 6.700 ( 0.000 5.257 1.975) 5.615 6.846 ( 0.000 -3.502 -7.112) 7.927 6.846 ( 0.000 -3.502 7.112) 7.927 9.747 ( 0.000 7.890 -17.286) 19.001 9.747 ( 0.000 7.890 17.286) 19.001 9.765 ( 0.000 6.027 -14.521) 15.722 9.765 ( 0.000 6.027 14.521) 15.722 10.012 ( 0.000 3.048 -8.263) 8.807 10.012 ( 0.000 3.048 8.263) 8.807 10.318 ( 0.000 -12.134 -9.605) 15.475 10.318 ( 0.000 -12.134 9.605) 15.475 12.010 ( 0.000 3.024 -10.856) 11.269 12.010 ( 0.000 3.024 10.856) 11.269 12.349 ( 0.000 -11.626 -8.200) 14.227 12.349 ( 0.000 -11.626 8.200) 14.227 12.949 ( 0.000 2.873 -1.442) 3.214 12.949 ( 0.000 2.873 1.442) 3.214 13.046 ( 0.000 -2.189 -2.107) 3.039 13.046 ( 0.000 -2.189 2.107) 3.039 ======================= Grid point 212 (71/75) ======================= q-point: ( 0.20 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( 1.075 10.583 -3.936) 11.343 1.593 ( 1.075 10.583 3.936) 11.343 1.770 ( 1.085 3.836 -0.757) 4.058 1.770 ( 1.085 3.836 0.757) 4.058 2.141 ( -1.258 0.104 -4.942) 5.101 2.141 ( -1.258 0.104 4.942) 5.101 2.248 ( 0.063 -1.581 -2.023) 2.568 2.248 ( 0.063 -1.581 2.023) 2.568 2.456 ( -3.162 -7.193 -7.009) 10.529 2.456 ( -3.162 -7.193 7.009) 10.529 2.633 ( 0.628 -6.017 -9.355) 11.141 2.633 ( 0.628 -6.017 9.355) 11.141 2.889 ( 1.697 -1.590 -1.832) 2.961 2.889 ( 1.697 -1.590 1.833) 2.961 3.123 ( -2.651 -5.695 -7.263) 9.602 3.123 ( -2.651 -5.695 7.263) 9.602 3.295 ( -3.700 -0.551 -8.401) 9.196 3.295 ( -3.700 -0.551 8.401) 9.196 3.375 ( -3.365 -0.946 -3.209) 4.745 3.375 ( -3.365 -0.946 3.209) 4.745 3.558 ( 1.761 -2.824 -17.885) 18.192 3.558 ( 1.761 -2.824 17.885) 18.192 3.713 ( -1.269 -4.927 -10.493) 11.662 3.713 ( -1.269 -4.927 10.493) 11.662 3.894 ( 2.421 -3.430 -5.547) 6.957 3.894 ( 2.421 -3.430 5.547) 6.957 4.011 ( 2.082 -3.234 -6.097) 7.209 4.011 ( 2.082 -3.234 6.097) 7.209 4.816 ( 6.229 7.040 -8.676) 12.792 4.816 ( 6.229 7.040 8.676) 12.792 5.107 ( 5.316 -4.143 -7.036) 9.743 5.107 ( 5.316 -4.143 7.036) 9.743 5.477 ( -4.399 4.873 -4.627) 8.031 5.477 ( -4.399 4.873 4.627) 8.031 5.614 ( -0.774 3.121 -1.904) 3.737 5.614 ( -0.774 3.121 1.904) 3.737 6.137 ( 2.866 4.110 -5.561) 7.485 6.137 ( 2.866 4.110 5.561) 7.485 6.279 ( 1.101 -0.586 -3.137) 3.376 6.279 ( 1.101 -0.586 3.137) 3.376 6.682 ( -1.447 4.727 -1.908) 5.299 6.682 ( -1.447 4.727 1.908) 5.299 6.815 ( -2.999 -2.882 -6.865) 8.027 6.815 ( -2.999 -2.882 6.865) 8.027 9.688 ( -3.850 5.587 -12.357) 14.097 9.688 ( -3.850 5.587 12.357) 14.097 9.727 ( -3.715 6.552 -11.898) 14.082 9.727 ( -3.715 6.552 11.898) 14.082 10.091 ( 6.349 2.408 -9.438) 11.627 10.091 ( 6.349 2.408 9.438) 11.627 10.328 ( 0.376 -8.947 -10.641) 13.908 10.328 ( 0.376 -8.947 10.641) 13.908 12.029 ( 2.001 1.076 -10.836) 11.072 12.029 ( 2.001 1.076 10.836) 11.072 12.305 ( -4.175 -10.605 -8.626) 14.293 12.305 ( -4.175 -10.605 8.626) 14.293 12.966 ( 1.600 2.461 -1.747) 3.416 12.966 ( 1.600 2.461 1.747) 3.416 13.046 ( -0.164 -1.521 -2.391) 2.838 13.046 ( -0.164 -1.521 2.391) 2.838 ======================= Grid point 214 (72/75) ======================= q-point: ( 0.40 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( 4.400 8.888 -2.482) 10.223 1.649 ( 4.400 8.888 2.482) 10.223 1.743 ( -3.967 5.656 -1.698) 7.114 1.743 ( -3.967 5.656 1.698) 7.114 2.150 ( 2.514 -1.820 -2.437) 3.946 2.150 ( 2.514 -1.820 2.437) 3.946 2.217 ( -3.208 -3.380 -0.815) 4.730 2.217 ( -3.208 -3.380 0.815) 4.730 2.462 ( 3.738 -6.096 -6.598) 9.730 2.462 ( 3.738 -6.096 6.598) 9.730 2.569 ( -5.794 -6.055 -8.434) 11.890 2.569 ( -5.794 -6.055 8.434) 11.890 2.960 ( 4.908 -0.947 -2.352) 5.524 2.960 ( 4.908 -0.947 2.352) 5.524 3.056 ( -4.123 -1.696 -4.718) 6.491 3.056 ( -4.123 -1.696 4.718) 6.491 3.258 ( 0.005 -2.077 -9.242) 9.473 3.258 ( 0.005 -2.077 9.242) 9.473 3.295 ( -3.569 -1.556 -7.970) 8.870 3.295 ( -3.569 -1.556 7.970) 8.870 3.607 ( 2.914 -1.533 -15.979) 16.314 3.607 ( 2.914 -1.533 15.979) 16.315 3.666 ( -2.872 -1.686 -12.601) 13.034 3.666 ( -2.872 -1.686 12.601) 13.034 3.966 ( 3.589 -6.250 -5.972) 9.360 3.966 ( 3.589 -6.250 5.972) 9.360 4.017 ( -1.308 -5.814 -7.061) 9.240 4.017 ( -1.308 -5.814 7.061) 9.240 4.980 ( 9.230 5.952 -8.474) 13.872 4.980 ( 9.230 5.952 8.474) 13.872 5.135 ( -4.499 2.094 -5.790) 7.626 5.135 ( -4.499 2.094 5.790) 7.626 5.460 ( 3.824 1.772 -2.003) 4.666 5.460 ( 3.824 1.772 2.003) 4.666 5.560 ( -4.517 1.557 -3.372) 5.847 5.560 ( -4.517 1.557 3.372) 5.847 6.212 ( 4.168 2.976 -5.525) 7.533 6.212 ( 4.168 2.976 5.525) 7.533 6.278 ( -1.816 0.722 -3.850) 4.318 6.278 ( -1.816 0.722 3.850) 4.318 6.674 ( 1.461 2.336 -4.066) 4.912 6.674 ( 1.461 2.336 4.066) 4.912 6.738 ( -4.229 -0.917 -6.060) 7.446 6.738 ( -4.229 -0.917 6.060) 7.446 9.635 ( -0.996 4.868 -10.159) 11.308 9.635 ( -0.996 4.868 10.159) 11.308 9.654 ( -2.754 5.213 -9.887) 11.512 9.654 ( -2.754 5.213 9.887) 11.512 10.220 ( 5.905 0.387 -11.011) 12.500 10.220 ( 5.905 0.387 11.011) 12.500 10.308 ( -2.712 -3.575 -11.581) 12.420 10.308 ( -2.712 -3.575 11.581) 12.420 12.094 ( 4.509 -3.373 -10.425) 11.848 12.094 ( 4.509 -3.373 10.425) 11.849 12.200 ( -5.761 -7.732 -9.531) 13.558 12.200 ( -5.761 -7.732 9.531) 13.558 13.004 ( 1.904 1.424 -2.729) 3.620 13.004 ( 1.904 1.424 2.729) 3.620 13.034 ( -1.072 -0.041 -2.946) 3.135 13.034 ( -1.072 -0.041 2.946) 3.135 ======================= Grid point 220 (73/75) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( 0.000 -4.467 -2.686) 5.212 1.756 ( 0.000 -4.467 2.686) 5.212 1.756 ( 0.000 4.467 -2.686) 5.212 1.756 ( 0.000 4.467 2.686) 5.212 2.197 ( 0.000 -3.230 -2.322) 3.978 2.197 ( 0.000 3.230 -2.322) 3.978 2.197 ( 0.000 -3.230 2.322) 3.978 2.197 ( 0.000 3.230 2.322) 3.978 2.475 ( 0.000 -0.662 -10.581) 10.602 2.475 ( 0.000 0.662 -10.581) 10.602 2.475 ( 0.000 -0.662 10.581) 10.602 2.475 ( 0.000 0.662 10.581) 10.602 2.966 ( 0.000 -8.815 -3.817) 9.606 2.966 ( 0.000 -8.815 3.817) 9.606 2.966 ( 0.000 8.815 -3.817) 9.606 2.966 ( 0.000 8.815 3.817) 9.606 3.368 ( 0.000 -0.002 -8.207) 8.207 3.368 ( 0.000 0.002 -8.207) 8.207 3.368 ( 0.000 -0.002 8.207) 8.207 3.368 ( 0.000 0.002 8.207) 8.207 3.567 ( 0.000 -5.151 -16.916) 17.683 3.567 ( 0.000 5.151 -16.916) 17.683 3.567 ( 0.000 -5.151 16.916) 17.683 3.567 ( 0.000 5.151 16.916) 17.683 3.928 ( 0.000 -1.746 -6.192) 6.434 3.928 ( 0.000 1.746 -6.192) 6.434 3.928 ( 0.000 -1.746 6.192) 6.434 3.928 ( 0.000 1.746 6.192) 6.434 4.904 ( 0.000 -7.120 -8.418) 11.025 4.904 ( 0.000 7.120 -8.418) 11.025 4.904 ( 0.000 -7.120 8.418) 11.025 4.904 ( 0.000 7.120 8.418) 11.025 5.621 ( 0.000 -1.342 -3.495) 3.744 5.621 ( 0.000 1.342 -3.495) 3.744 5.621 ( 0.000 -1.342 3.495) 3.744 5.621 ( 0.000 1.342 3.495) 3.744 6.205 ( 0.000 -4.622 -4.810) 6.671 6.205 ( 0.000 4.622 -4.810) 6.671 6.205 ( 0.000 -4.622 4.810) 6.671 6.205 ( 0.000 4.622 4.810) 6.671 6.783 ( 0.000 -3.169 -3.497) 4.719 6.783 ( 0.000 3.169 -3.497) 4.719 6.783 ( 0.000 -3.169 3.497) 4.719 6.783 ( 0.000 3.169 3.497) 4.719 9.829 ( 0.000 -0.044 -18.101) 18.101 9.829 ( 0.000 0.044 -18.101) 18.101 9.829 ( 0.000 -0.044 18.101) 18.101 9.829 ( 0.000 0.044 18.101) 18.101 10.119 ( 0.000 -7.386 -9.580) 12.097 10.119 ( 0.000 7.386 -9.580) 12.097 10.119 ( 0.000 -7.386 9.580) 12.097 10.119 ( 0.000 7.386 9.580) 12.097 12.131 ( 0.000 -8.936 -10.807) 14.023 12.131 ( 0.000 8.936 -10.807) 14.023 12.131 ( 0.000 -8.936 10.807) 14.023 12.131 ( 0.000 8.936 10.807) 14.023 13.003 ( 0.000 -2.371 -1.452) 2.780 13.003 ( 0.000 -2.371 1.452) 2.780 13.003 ( 0.000 2.371 -1.452) 2.780 13.003 ( 0.000 2.371 1.452) 2.780 ======================= Grid point 224 (74/75) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 0.983 -0.000 -1.949) 2.183 1.763 ( 0.983 -0.000 1.949) 2.183 1.772 ( 1.299 0.000 -1.892) 2.295 1.772 ( 1.299 0.000 1.892) 2.295 2.170 ( -2.052 0.000 -2.376) 3.140 2.170 ( -2.052 0.000 2.376) 3.140 2.194 ( -1.243 0.000 -2.114) 2.452 2.194 ( -1.243 0.000 2.114) 2.452 2.374 ( -2.698 0.000 -9.999) 10.357 2.374 ( -2.698 0.000 9.999) 10.357 2.558 ( 0.827 0.000 -13.630) 13.655 2.558 ( 0.827 0.000 13.630) 13.655 2.925 ( -0.474 0.000 -4.028) 4.055 2.925 ( -0.474 0.000 4.028) 4.055 3.010 ( 1.762 0.000 -4.519) 4.850 3.010 ( 1.762 -0.000 4.519) 4.850 3.288 ( -4.262 0.000 -10.001) 10.871 3.288 ( -4.262 0.000 10.001) 10.871 3.358 ( -3.231 0.000 -1.064) 3.402 3.358 ( -3.231 0.000 1.064) 3.402 3.564 ( 1.940 0.000 -17.264) 17.372 3.564 ( 1.940 0.000 17.264) 17.372 3.628 ( 2.261 -0.000 -14.178) 14.357 3.628 ( 2.261 0.000 14.178) 14.357 3.881 ( -0.459 0.000 -3.271) 3.303 3.881 ( -0.459 0.000 3.271) 3.303 3.967 ( 0.210 0.000 -11.895) 11.897 3.967 ( 0.210 0.000 11.895) 11.897 4.920 ( 4.719 0.000 -7.678) 9.012 4.920 ( 4.719 0.000 7.678) 9.012 5.032 ( 8.113 0.000 -8.941) 12.074 5.032 ( 8.113 0.000 8.941) 12.074 5.532 ( -4.759 0.000 -5.042) 6.933 5.532 ( -4.759 0.000 5.042) 6.933 5.645 ( -1.261 0.000 -2.338) 2.656 5.645 ( -1.261 0.000 2.338) 2.656 6.224 ( 1.632 0.000 -7.309) 7.489 6.224 ( 1.632 0.000 7.309) 7.489 6.229 ( 2.178 0.000 -3.407) 4.044 6.229 ( 2.178 -0.000 3.407) 4.044 6.746 ( -2.626 0.000 -2.234) 3.447 6.746 ( -2.626 0.000 2.234) 3.447 6.770 ( -1.884 0.000 -4.987) 5.331 6.770 ( -1.884 0.000 4.987) 5.331 9.745 ( -4.473 0.000 -15.423) 16.058 9.745 ( -4.473 0.000 15.423) 16.058 9.794 ( -4.780 0.000 -15.553) 16.271 9.794 ( -4.780 0.000 15.553) 16.271 10.142 ( 4.485 0.000 -10.618) 11.526 10.142 ( 4.485 0.000 10.618) 11.526 10.214 ( 4.670 0.000 -14.445) 15.181 10.214 ( 4.670 0.000 14.445) 15.181 12.098 ( -1.790 0.000 -11.835) 11.970 12.098 ( -1.790 0.000 11.835) 11.970 12.130 ( -1.156 0.000 -11.011) 11.072 12.130 ( -1.156 -0.000 11.011) 11.072 13.005 ( 0.659 0.000 -2.676) 2.756 13.005 ( 0.659 0.000 2.676) 2.756 13.019 ( 0.915 0.000 -3.001) 3.137 13.019 ( 0.915 0.000 3.001) 3.137 ======================= Grid point 228 (75/75) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( 1.329 0.000 -0.586) 1.452 1.789 ( 1.329 0.000 0.586) 1.452 1.797 ( 0.766 0.000 -0.805) 1.111 1.797 ( 0.766 0.000 0.805) 1.111 2.129 ( -0.994 0.000 -1.654) 1.929 2.129 ( -0.994 0.000 1.654) 1.929 2.150 ( -2.543 0.000 -1.673) 3.044 2.150 ( -2.543 0.000 1.673) 3.044 2.391 ( 3.874 0.000 -10.028) 10.750 2.391 ( 3.874 0.000 10.028) 10.750 2.496 ( -5.649 0.000 -12.583) 13.793 2.496 ( -5.649 0.000 12.583) 13.793 2.970 ( 4.034 0.000 -0.699) 4.094 2.970 ( 4.034 0.000 0.699) 4.094 3.026 ( -0.709 0.000 -2.202) 2.314 3.026 ( -0.709 0.000 2.202) 2.314 3.233 ( -0.874 0.000 -11.528) 11.561 3.233 ( -0.874 0.000 11.528) 11.561 3.269 ( -4.341 0.000 -7.312) 8.503 3.269 ( -4.341 0.000 7.312) 8.503 3.615 ( 2.512 0.000 -17.520) 17.699 3.615 ( 2.512 0.000 17.520) 17.699 3.645 ( -0.344 -0.000 -14.207) 14.211 3.645 ( -0.344 0.000 14.207) 14.211 3.903 ( 1.945 0.000 -9.658) 9.852 3.903 ( 1.945 0.000 9.658) 9.852 3.945 ( -1.996 0.000 -12.931) 13.084 3.945 ( -1.996 0.000 12.931) 13.084 5.053 ( 7.277 0.000 -6.951) 10.063 5.053 ( 7.277 -0.000 6.951) 10.063 5.142 ( 0.467 0.000 -4.428) 4.453 5.142 ( 0.467 0.000 4.428) 4.453 5.484 ( 1.664 0.000 -2.808) 3.263 5.484 ( 1.664 0.000 2.808) 3.263 5.575 ( -5.249 0.000 -4.836) 7.137 5.575 ( -5.249 0.000 4.836) 7.137 6.260 ( 1.631 -0.000 -8.484) 8.640 6.260 ( 1.631 0.000 8.484) 8.640 6.269 ( 1.094 0.000 -6.814) 6.902 6.269 ( 1.094 0.000 6.814) 6.902 6.704 ( -0.912 0.000 -4.307) 4.402 6.704 ( -0.912 0.000 4.307) 4.402 6.722 ( -2.341 0.000 -5.779) 6.235 6.722 ( -2.341 0.000 5.779) 6.235 9.684 ( -1.188 0.000 -13.435) 13.488 9.684 ( -1.188 0.000 13.435) 13.488 9.705 ( -3.188 0.000 -13.115) 13.497 9.705 ( -3.188 0.000 13.115) 13.497 10.234 ( 3.774 0.000 -14.684) 15.161 10.234 ( 3.774 0.000 14.684) 15.161 10.269 ( 0.544 0.000 -16.057) 16.066 10.269 ( 0.544 0.000 16.057) 16.066 12.077 ( -0.049 0.000 -12.566) 12.566 12.077 ( -0.049 0.000 12.566) 12.566 12.097 ( -1.739 0.000 -12.032) 12.157 12.097 ( -1.739 -0.000 12.032) 12.157 13.022 ( 0.844 0.000 -4.004) 4.092 13.022 ( 0.844 0.000 4.004) 4.092 13.030 ( 0.093 0.000 -4.140) 4.141 13.030 ( 0.093 0.000 4.140) 4.141 =================== 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 3/19200 10.0 512.363 465.273 297.397 0.000 0.000 0.000 3/19200 20.0 84.141 87.433 85.751 0.000 0.000 0.000 3/19200 30.0 30.559 34.614 39.782 0.000 0.000 0.000 3/19200 40.0 16.388 19.521 24.061 0.000 0.000 0.000 3/19200 50.0 10.652 13.066 16.790 0.000 0.000 0.000 3/19200 60.0 7.725 9.652 12.767 0.000 0.000 0.000 3/19200 70.0 6.004 7.594 10.263 0.000 0.000 0.000 3/19200 80.0 4.891 6.236 8.569 0.000 0.000 0.000 3/19200 90.0 4.120 5.282 7.352 0.000 0.000 0.000 3/19200 100.0 3.557 4.577 6.438 0.000 0.000 0.000 3/19200 110.0 3.130 4.038 5.727 0.000 0.000 0.000 3/19200 120.0 2.796 3.613 5.158 0.000 0.000 0.000 3/19200 130.0 2.527 3.269 4.694 0.000 0.000 0.000 3/19200 140.0 2.306 2.986 4.307 0.000 0.000 0.000 3/19200 150.0 2.122 2.749 3.980 0.000 0.000 0.000 3/19200 160.0 1.966 2.548 3.701 0.000 0.000 0.000 3/19200 170.0 1.832 2.375 3.458 0.000 0.000 0.000 3/19200 180.0 1.715 2.224 3.247 0.000 0.000 0.000 3/19200 190.0 1.613 2.092 3.060 0.000 0.000 0.000 3/19200 200.0 1.523 1.975 2.894 0.000 0.000 0.000 3/19200 210.0 1.442 1.871 2.745 0.000 0.000 0.000 3/19200 220.0 1.370 1.777 2.612 0.000 0.000 0.000 3/19200 230.0 1.305 1.693 2.490 0.000 0.000 0.000 3/19200 240.0 1.246 1.616 2.380 0.000 0.000 0.000 3/19200 250.0 1.192 1.546 2.280 0.000 0.000 0.000 3/19200 260.0 1.143 1.483 2.187 0.000 0.000 0.000 3/19200 270.0 1.098 1.424 2.103 0.000 0.000 0.000 3/19200 280.0 1.056 1.370 2.024 0.000 0.000 0.000 3/19200 290.0 1.018 1.320 1.951 0.000 0.000 0.000 3/19200 300.0 0.982 1.273 1.884 0.000 0.000 0.000 3/19200 310.0 0.949 1.230 1.821 0.000 0.000 0.000 3/19200 320.0 0.918 1.190 1.762 0.000 0.000 0.000 3/19200 330.0 0.889 1.152 1.707 0.000 0.000 0.000 3/19200 340.0 0.861 1.117 1.655 0.000 0.000 0.000 3/19200 350.0 0.836 1.084 1.606 0.000 0.000 0.000 3/19200 360.0 0.812 1.052 1.560 0.000 0.000 0.000 3/19200 370.0 0.789 1.023 1.517 0.000 0.000 0.000 3/19200 380.0 0.768 0.995 1.476 0.000 0.000 0.000 3/19200 390.0 0.747 0.969 1.437 0.000 0.000 0.000 3/19200 400.0 0.728 0.944 1.401 0.000 0.000 0.000 3/19200 410.0 0.710 0.920 1.366 0.000 0.000 0.000 3/19200 420.0 0.692 0.897 1.333 0.000 0.000 0.000 3/19200 430.0 0.676 0.876 1.301 0.000 0.000 0.000 3/19200 440.0 0.660 0.856 1.271 0.000 0.000 0.000 3/19200 450.0 0.645 0.836 1.242 0.000 0.000 0.000 3/19200 460.0 0.631 0.817 1.215 0.000 0.000 0.000 3/19200 470.0 0.617 0.800 1.189 0.000 0.000 0.000 3/19200 480.0 0.604 0.783 1.163 0.000 0.000 0.000 3/19200 490.0 0.591 0.766 1.139 0.000 0.000 0.000 3/19200 500.0 0.579 0.751 1.116 0.000 0.000 0.000 3/19200 510.0 0.568 0.736 1.094 0.000 0.000 0.000 3/19200 520.0 0.557 0.721 1.073 0.000 0.000 0.000 3/19200 530.0 0.546 0.707 1.052 0.000 0.000 0.000 3/19200 540.0 0.536 0.694 1.033 0.000 0.000 0.000 3/19200 550.0 0.526 0.681 1.014 0.000 0.000 0.000 3/19200 560.0 0.516 0.669 0.995 0.000 0.000 0.000 3/19200 570.0 0.507 0.657 0.978 0.000 0.000 0.000 3/19200 580.0 0.498 0.646 0.961 0.000 0.000 0.000 3/19200 590.0 0.490 0.634 0.944 0.000 0.000 0.000 3/19200 600.0 0.481 0.624 0.928 0.000 0.000 0.000 3/19200 610.0 0.473 0.613 0.913 0.000 0.000 0.000 3/19200 620.0 0.466 0.603 0.898 0.000 0.000 0.000 3/19200 630.0 0.458 0.594 0.884 0.000 0.000 0.000 3/19200 640.0 0.451 0.584 0.870 0.000 0.000 0.000 3/19200 650.0 0.444 0.575 0.856 0.000 0.000 0.000 3/19200 660.0 0.437 0.566 0.843 0.000 0.000 0.000 3/19200 670.0 0.430 0.558 0.831 0.000 0.000 0.000 3/19200 680.0 0.424 0.550 0.818 0.000 0.000 0.000 3/19200 690.0 0.418 0.541 0.806 0.000 0.000 0.000 3/19200 700.0 0.412 0.534 0.795 0.000 0.000 0.000 3/19200 710.0 0.406 0.526 0.784 0.000 0.000 0.000 3/19200 720.0 0.400 0.519 0.773 0.000 0.000 0.000 3/19200 730.0 0.395 0.512 0.762 0.000 0.000 0.000 3/19200 740.0 0.389 0.505 0.752 0.000 0.000 0.000 3/19200 750.0 0.384 0.498 0.741 0.000 0.000 0.000 3/19200 760.0 0.379 0.491 0.732 0.000 0.000 0.000 3/19200 770.0 0.374 0.485 0.722 0.000 0.000 0.000 3/19200 780.0 0.369 0.479 0.713 0.000 0.000 0.000 3/19200 790.0 0.365 0.472 0.704 0.000 0.000 0.000 3/19200 800.0 0.360 0.466 0.695 0.000 0.000 0.000 3/19200 810.0 0.356 0.461 0.686 0.000 0.000 0.000 3/19200 820.0 0.351 0.455 0.678 0.000 0.000 0.000 3/19200 830.0 0.347 0.449 0.670 0.000 0.000 0.000 3/19200 840.0 0.343 0.444 0.662 0.000 0.000 0.000 3/19200 850.0 0.339 0.439 0.654 0.000 0.000 0.000 3/19200 860.0 0.335 0.434 0.646 0.000 0.000 0.000 3/19200 870.0 0.331 0.429 0.639 0.000 0.000 0.000 3/19200 880.0 0.327 0.424 0.631 0.000 0.000 0.000 3/19200 890.0 0.323 0.419 0.624 0.000 0.000 0.000 3/19200 900.0 0.320 0.414 0.617 0.000 0.000 0.000 3/19200 910.0 0.316 0.410 0.611 0.000 0.000 0.000 3/19200 920.0 0.313 0.405 0.604 0.000 0.000 0.000 3/19200 930.0 0.309 0.401 0.597 0.000 0.000 0.000 3/19200 940.0 0.306 0.397 0.591 0.000 0.000 0.000 3/19200 950.0 0.303 0.392 0.585 0.000 0.000 0.000 3/19200 960.0 0.300 0.388 0.579 0.000 0.000 0.000 3/19200 970.0 0.297 0.384 0.573 0.000 0.000 0.000 3/19200 980.0 0.294 0.380 0.567 0.000 0.000 0.000 3/19200 990.0 0.291 0.376 0.561 0.000 0.000 0.000 3/19200 1000.0 0.288 0.373 0.555 0.000 0.000 0.000 3/19200 Thermal conductivity related properties were written into "kappa-m588.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:33:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|