----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:54:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.549259400000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.547677440000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.252542370000000 Atomic positions (fractional): *1 Tb 0.06865713634703 0.75000000000000 0.01924483886708 158.925 2 Tb 0.56865713634703 0.75000000000000 0.48075516113292 158.925 3 Tb 0.43134286365297 0.25000000000000 0.51924483886708 158.925 4 Tb 0.93134286365297 0.25000000000000 0.98075516113292 158.925 *5 Ga 0.50000000000000 0.50000000000000 0.00000000000000 69.723 6 Ga 0.00000000000000 0.50000000000000 0.50000000000000 69.723 7 Ga 0.00000000000000 0.00000000000000 0.50000000000000 69.723 8 Ga 0.50000000000000 0.00000000000000 0.00000000000000 69.723 *9 O 0.53389749169552 0.25000000000000 0.10640486456200 15.999 *10 O 0.80327908680631 0.55453197193783 0.19519770369323 15.999 11 O 0.80327908680631 0.94546802806217 0.19519770369323 15.999 12 O 0.30327908680631 0.94546802806217 0.30480229630677 15.999 13 O 0.30327908680631 0.55453197193783 0.30480229630677 15.999 14 O 0.03389749169552 0.25000000000000 0.39359513543800 15.999 15 O 0.96610250830448 0.75000000000000 0.60640486456200 15.999 16 O 0.69672091319369 0.05453197193783 0.69519770369323 15.999 17 O 0.69672091319369 0.44546802806217 0.69519770369323 15.999 18 O 0.19672091319369 0.44546802806217 0.80480229630677 15.999 19 O 0.19672091319369 0.05453197193783 0.80480229630677 15.999 20 O 0.46610250830448 0.75000000000000 0.89359513543800 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.549259400000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.547677440000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.252542370000000 Atomic positions (fractional): *1 Tb 0.06865713634703 0.75000000000000 0.01924483886708 158.925 > 1 2 Tb 0.56865713634703 0.75000000000000 0.48075516113292 158.925 > 2 3 Tb 0.43134286365297 0.25000000000000 0.51924483886708 158.925 > 3 4 Tb 0.93134286365297 0.25000000000000 0.98075516113292 158.925 > 4 *5 Ga 0.50000000000000 0.50000000000000 0.00000000000000 69.723 > 5 6 Ga 0.00000000000000 0.50000000000000 0.50000000000000 69.723 > 6 7 Ga 0.00000000000000 0.00000000000000 0.50000000000000 69.723 > 7 8 Ga 0.50000000000000 0.00000000000000 0.00000000000000 69.723 > 8 *9 O 0.53389749169552 0.25000000000000 0.10640486456200 15.999 > 9 *10 O 0.80327908680631 0.55453197193783 0.19519770369323 15.999 > 10 11 O 0.80327908680631 0.94546802806217 0.19519770369323 15.999 > 11 12 O 0.30327908680631 0.94546802806217 0.30480229630677 15.999 > 12 13 O 0.30327908680631 0.55453197193783 0.30480229630677 15.999 > 13 14 O 0.03389749169552 0.25000000000000 0.39359513543800 15.999 > 14 15 O 0.96610250830448 0.75000000000000 0.60640486456200 15.999 > 15 16 O 0.69672091319369 0.05453197193783 0.69519770369323 15.999 > 16 17 O 0.69672091319369 0.44546802806217 0.69519770369323 15.999 > 17 18 O 0.19672091319369 0.44546802806217 0.80480229630677 15.999 > 18 19 O 0.19672091319369 0.05453197193783 0.80480229630677 15.999 > 19 20 O 0.46610250830448 0.75000000000000 0.89359513543800 15.999 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.098518800000001 0.000000000000000 0.000000000000000 b 0.000000000000000 7.547677440000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.505084739999999 Atomic positions (fractional): *1 Tb 0.03432856817352 0.75000000000000 0.00962241943354 158.925 > 1 2 Tb 0.53432856817352 0.75000000000000 0.00962241943354 158.925 > 1 3 Tb 0.03432856817352 0.75000000000000 0.50962241943354 158.925 > 1 4 Tb 0.53432856817352 0.75000000000000 0.50962241943354 158.925 > 1 5 Tb 0.28432856817352 0.75000000000000 0.24037758056646 158.925 > 2 6 Tb 0.78432856817352 0.75000000000000 0.24037758056646 158.925 > 2 7 Tb 0.28432856817352 0.75000000000000 0.74037758056646 158.925 > 2 8 Tb 0.78432856817352 0.75000000000000 0.74037758056646 158.925 > 2 9 Tb 0.21567143182648 0.25000000000000 0.25962241943354 158.925 > 3 10 Tb 0.71567143182648 0.25000000000000 0.25962241943354 158.925 > 3 11 Tb 0.21567143182648 0.25000000000000 0.75962241943354 158.925 > 3 12 Tb 0.71567143182648 0.25000000000000 0.75962241943354 158.925 > 3 13 Tb 0.46567143182648 0.25000000000000 0.49037758056646 158.925 > 4 14 Tb 0.96567143182648 0.25000000000000 0.49037758056646 158.925 > 4 15 Tb 0.46567143182648 0.25000000000000 0.99037758056646 158.925 > 4 16 Tb 0.96567143182648 0.25000000000000 0.99037758056646 158.925 > 4 *17 Ga 0.25000000000000 0.50000000000000 0.00000000000000 69.723 > 5 18 Ga 0.75000000000000 0.50000000000000 0.00000000000000 69.723 > 5 19 Ga 0.25000000000000 0.50000000000000 0.50000000000000 69.723 > 5 20 Ga 0.75000000000000 0.50000000000000 0.50000000000000 69.723 > 5 21 Ga 0.00000000000000 0.50000000000000 0.25000000000000 69.723 > 6 22 Ga 0.50000000000000 0.50000000000000 0.25000000000000 69.723 > 6 23 Ga 0.00000000000000 0.50000000000000 0.75000000000000 69.723 > 6 24 Ga 0.50000000000000 0.50000000000000 0.75000000000000 69.723 > 6 25 Ga 0.00000000000000 0.00000000000000 0.25000000000000 69.723 > 7 26 Ga 0.50000000000000 0.00000000000000 0.25000000000000 69.723 > 7 27 Ga 0.00000000000000 0.00000000000000 0.75000000000000 69.723 > 7 28 Ga 0.50000000000000 0.00000000000000 0.75000000000000 69.723 > 7 29 Ga 0.25000000000000 0.00000000000000 0.00000000000000 69.723 > 8 30 Ga 0.75000000000000 0.00000000000000 0.00000000000000 69.723 > 8 31 Ga 0.25000000000000 0.00000000000000 0.50000000000000 69.723 > 8 32 Ga 0.75000000000000 0.00000000000000 0.50000000000000 69.723 > 8 *33 O 0.26694874584776 0.25000000000000 0.05320243228100 15.999 > 9 34 O 0.76694874584776 0.25000000000000 0.05320243228100 15.999 > 9 35 O 0.26694874584776 0.25000000000000 0.55320243228100 15.999 > 9 36 O 0.76694874584776 0.25000000000000 0.55320243228100 15.999 > 9 *37 O 0.40163954340315 0.55453197193783 0.09759885184662 15.999 > 10 38 O 0.90163954340315 0.55453197193783 0.09759885184662 15.999 > 10 39 O 0.40163954340315 0.55453197193783 0.59759885184661 15.999 > 10 40 O 0.90163954340315 0.55453197193783 0.59759885184661 15.999 > 10 41 O 0.40163954340315 0.94546802806217 0.09759885184662 15.999 > 11 42 O 0.90163954340315 0.94546802806217 0.09759885184662 15.999 > 11 43 O 0.40163954340315 0.94546802806217 0.59759885184661 15.999 > 11 44 O 0.90163954340315 0.94546802806217 0.59759885184661 15.999 > 11 45 O 0.15163954340315 0.94546802806217 0.15240114815339 15.999 > 12 46 O 0.65163954340315 0.94546802806217 0.15240114815339 15.999 > 12 47 O 0.15163954340315 0.94546802806217 0.65240114815339 15.999 > 12 48 O 0.65163954340315 0.94546802806217 0.65240114815339 15.999 > 12 49 O 0.15163954340315 0.55453197193783 0.15240114815339 15.999 > 13 50 O 0.65163954340315 0.55453197193783 0.15240114815339 15.999 > 13 51 O 0.15163954340315 0.55453197193783 0.65240114815339 15.999 > 13 52 O 0.65163954340315 0.55453197193783 0.65240114815339 15.999 > 13 53 O 0.01694874584776 0.25000000000000 0.19679756771900 15.999 > 14 54 O 0.51694874584776 0.25000000000000 0.19679756771900 15.999 > 14 55 O 0.01694874584776 0.25000000000000 0.69679756771900 15.999 > 14 56 O 0.51694874584776 0.25000000000000 0.69679756771900 15.999 > 14 57 O 0.48305125415224 0.75000000000000 0.30320243228100 15.999 > 15 58 O 0.98305125415224 0.75000000000000 0.30320243228100 15.999 > 15 59 O 0.48305125415224 0.75000000000000 0.80320243228100 15.999 > 15 60 O 0.98305125415224 0.75000000000000 0.80320243228100 15.999 > 15 61 O 0.34836045659685 0.05453197193783 0.34759885184661 15.999 > 16 62 O 0.84836045659685 0.05453197193783 0.34759885184661 15.999 > 16 63 O 0.34836045659685 0.05453197193783 0.84759885184661 15.999 > 16 64 O 0.84836045659685 0.05453197193783 0.84759885184661 15.999 > 16 65 O 0.34836045659685 0.44546802806217 0.34759885184661 15.999 > 17 66 O 0.84836045659685 0.44546802806217 0.34759885184661 15.999 > 17 67 O 0.34836045659685 0.44546802806217 0.84759885184661 15.999 > 17 68 O 0.84836045659685 0.44546802806217 0.84759885184661 15.999 > 17 69 O 0.09836045659685 0.44546802806217 0.40240114815339 15.999 > 18 70 O 0.59836045659685 0.44546802806217 0.40240114815339 15.999 > 18 71 O 0.09836045659685 0.44546802806217 0.90240114815339 15.999 > 18 72 O 0.59836045659685 0.44546802806217 0.90240114815339 15.999 > 18 73 O 0.09836045659685 0.05453197193783 0.40240114815339 15.999 > 19 74 O 0.59836045659685 0.05453197193783 0.40240114815339 15.999 > 19 75 O 0.09836045659685 0.05453197193783 0.90240114815339 15.999 > 19 76 O 0.59836045659685 0.05453197193783 0.90240114815339 15.999 > 19 77 O 0.23305125415224 0.75000000000000 0.44679756771900 15.999 > 20 78 O 0.73305125415224 0.75000000000000 0.44679756771900 15.999 > 20 79 O 0.23305125415224 0.75000000000000 0.94679756771900 15.999 > 20 80 O 0.73305125415224 0.75000000000000 0.94679756771900 15.999 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.6510248 0.0000000 0.0000000 0.0000000 4.5068363 0.0000000 0.0000000 0.0000000 4.6645315 -------------------------- Born effective charges -------------------------- 1 Tb 3.9530519 0.0000000 -0.0711421 0.0000000 3.6293120 0.0000000 -0.2152727 0.0000000 4.0241203 2 Tb 3.9530519 0.0000000 0.0711421 0.0000000 3.6293120 0.0000000 0.2152727 0.0000000 4.0241203 3 Tb 3.9530519 0.0000000 0.0711421 0.0000000 3.6293120 0.0000000 0.2152727 0.0000000 4.0241203 4 Tb 3.9530519 0.0000000 -0.0711421 0.0000000 3.6293120 0.0000000 -0.2152727 0.0000000 4.0241203 5 Ga 3.3746227 -0.0894006 0.0983936 -0.0384552 3.2987679 0.0112149 0.1508004 0.1189662 3.2556798 6 Ga 3.3746227 -0.0894006 -0.0983936 -0.0384552 3.2987679 -0.0112149 -0.1508004 -0.1189662 3.2556798 7 Ga 3.3746227 0.0894006 -0.0983936 0.0384552 3.2987679 0.0112149 -0.1508004 0.1189662 3.2556798 8 Ga 3.3746227 0.0894006 0.0983936 0.0384552 3.2987679 -0.0112149 0.1508004 -0.1189662 3.2556798 9 O -2.1458604 0.0000000 0.3842834 0.0000000 -2.5209901 0.0000000 0.3811508 0.0000000 -2.5323924 10 O -2.5909071 -0.1220092 -0.1328952 -0.1543460 -2.2035449 -0.1125789 -0.1126331 -0.1449963 -2.3737039 11 O -2.5909071 0.1220092 -0.1328952 0.1543460 -2.2035449 0.1125789 -0.1126331 0.1449963 -2.3737039 12 O -2.5909071 0.1220092 0.1328952 0.1543460 -2.2035449 -0.1125789 0.1126331 -0.1449963 -2.3737039 13 O -2.5909071 -0.1220092 0.1328952 -0.1543460 -2.2035449 0.1125789 0.1126331 0.1449963 -2.3737039 14 O -2.1458604 0.0000000 -0.3842834 0.0000000 -2.5209901 0.0000000 -0.3811508 0.0000000 -2.5323924 15 O -2.1458604 0.0000000 -0.3842834 0.0000000 -2.5209901 0.0000000 -0.3811508 0.0000000 -2.5323924 16 O -2.5909071 0.1220092 0.1328952 0.1543460 -2.2035449 -0.1125789 0.1126331 -0.1449963 -2.3737039 17 O -2.5909071 -0.1220092 0.1328952 -0.1543460 -2.2035449 0.1125789 0.1126331 0.1449963 -2.3737039 18 O -2.5909071 -0.1220092 -0.1328952 -0.1543460 -2.2035449 -0.1125789 -0.1126331 -0.1449963 -2.3737039 19 O -2.5909071 0.1220092 -0.1328952 0.1543460 -2.2035449 0.1125789 -0.1126331 0.1449963 -2.3737039 20 O -2.1458604 0.0000000 0.3842834 0.0000000 -2.5209901 0.0000000 0.3811508 0.0000000 -2.5323924 ---------------------------------------------------------------------------- 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: 994 Number of blocks in projector: 994 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: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (994, 966), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (236, 228), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 320 - Time: 0.731 Solver_block: 200 / 320 - Time: 0.743 Solver_block: 300 / 320 - Time: 0.746 Solver_block: 320 / 320 - Time: 0.190 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.428 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) 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: 994 Number of blocks in projector: 994 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: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (994, 966), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (236, 228), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 23:54:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:54:47]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.549259400000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.547677440000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.252542370000000 Atomic positions (fractional): 1 Tb 0.06865713634703 0.75000000000000 0.01924483886708 158.925 2 Tb 0.56865713634703 0.75000000000000 0.48075516113292 158.925 3 Tb 0.43134286365297 0.25000000000000 0.51924483886708 158.925 4 Tb 0.93134286365297 0.25000000000000 0.98075516113292 158.925 5 Ga 0.50000000000000 0.50000000000000 0.00000000000000 69.723 6 Ga 0.00000000000000 0.50000000000000 0.50000000000000 69.723 7 Ga 0.00000000000000 0.00000000000000 0.50000000000000 69.723 8 Ga 0.50000000000000 0.00000000000000 0.00000000000000 69.723 9 O 0.53389749169552 0.25000000000000 0.10640486456200 15.999 10 O 0.80327908680631 0.55453197193783 0.19519770369323 15.999 11 O 0.80327908680631 0.94546802806217 0.19519770369323 15.999 12 O 0.30327908680631 0.94546802806217 0.30480229630677 15.999 13 O 0.30327908680631 0.55453197193783 0.30480229630677 15.999 14 O 0.03389749169552 0.25000000000000 0.39359513543800 15.999 15 O 0.96610250830448 0.75000000000000 0.60640486456200 15.999 16 O 0.69672091319369 0.05453197193783 0.69519770369323 15.999 17 O 0.69672091319369 0.44546802806217 0.69519770369323 15.999 18 O 0.19672091319369 0.44546802806217 0.80480229630677 15.999 19 O 0.19672091319369 0.05453197193783 0.80480229630677 15.999 20 O 0.46610250830448 0.75000000000000 0.89359513543800 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.098518800000001 0.000000000000000 0.000000000000000 b 0.000000000000000 7.547677440000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.505084739999999 Atomic positions (fractional): 1 Tb 0.03432856817352 0.75000000000000 0.00962241943354 158.925 > 1 2 Tb 0.53432856817352 0.75000000000000 0.00962241943354 158.925 > 1 3 Tb 0.03432856817352 0.75000000000000 0.50962241943354 158.925 > 1 4 Tb 0.53432856817352 0.75000000000000 0.50962241943354 158.925 > 1 5 Tb 0.28432856817352 0.75000000000000 0.24037758056646 158.925 > 5 6 Tb 0.78432856817352 0.75000000000000 0.24037758056646 158.925 > 5 7 Tb 0.28432856817352 0.75000000000000 0.74037758056646 158.925 > 5 8 Tb 0.78432856817352 0.75000000000000 0.74037758056646 158.925 > 5 9 Tb 0.21567143182648 0.25000000000000 0.25962241943354 158.925 > 9 10 Tb 0.71567143182648 0.25000000000000 0.25962241943354 158.925 > 9 11 Tb 0.21567143182648 0.25000000000000 0.75962241943354 158.925 > 9 12 Tb 0.71567143182648 0.25000000000000 0.75962241943354 158.925 > 9 13 Tb 0.46567143182648 0.25000000000000 0.49037758056646 158.925 > 13 14 Tb 0.96567143182648 0.25000000000000 0.49037758056646 158.925 > 13 15 Tb 0.46567143182648 0.25000000000000 0.99037758056646 158.925 > 13 16 Tb 0.96567143182648 0.25000000000000 0.99037758056646 158.925 > 13 17 Ga 0.25000000000000 0.50000000000000 0.00000000000000 69.723 > 17 18 Ga 0.75000000000000 0.50000000000000 0.00000000000000 69.723 > 17 19 Ga 0.25000000000000 0.50000000000000 0.50000000000000 69.723 > 17 20 Ga 0.75000000000000 0.50000000000000 0.50000000000000 69.723 > 17 21 Ga 0.00000000000000 0.50000000000000 0.25000000000000 69.723 > 21 22 Ga 0.50000000000000 0.50000000000000 0.25000000000000 69.723 > 21 23 Ga 0.00000000000000 0.50000000000000 0.75000000000000 69.723 > 21 24 Ga 0.50000000000000 0.50000000000000 0.75000000000000 69.723 > 21 25 Ga 0.00000000000000 0.00000000000000 0.25000000000000 69.723 > 25 26 Ga 0.50000000000000 0.00000000000000 0.25000000000000 69.723 > 25 27 Ga 0.00000000000000 0.00000000000000 0.75000000000000 69.723 > 25 28 Ga 0.50000000000000 0.00000000000000 0.75000000000000 69.723 > 25 29 Ga 0.25000000000000 0.00000000000000 0.00000000000000 69.723 > 29 30 Ga 0.75000000000000 0.00000000000000 0.00000000000000 69.723 > 29 31 Ga 0.25000000000000 0.00000000000000 0.50000000000000 69.723 > 29 32 Ga 0.75000000000000 0.00000000000000 0.50000000000000 69.723 > 29 33 O 0.26694874584776 0.25000000000000 0.05320243228100 15.999 > 33 34 O 0.76694874584776 0.25000000000000 0.05320243228100 15.999 > 33 35 O 0.26694874584776 0.25000000000000 0.55320243228100 15.999 > 33 36 O 0.76694874584776 0.25000000000000 0.55320243228100 15.999 > 33 37 O 0.40163954340315 0.55453197193783 0.09759885184662 15.999 > 37 38 O 0.90163954340315 0.55453197193783 0.09759885184662 15.999 > 37 39 O 0.40163954340315 0.55453197193783 0.59759885184661 15.999 > 37 40 O 0.90163954340315 0.55453197193783 0.59759885184661 15.999 > 37 41 O 0.40163954340315 0.94546802806217 0.09759885184662 15.999 > 41 42 O 0.90163954340315 0.94546802806217 0.09759885184662 15.999 > 41 43 O 0.40163954340315 0.94546802806217 0.59759885184661 15.999 > 41 44 O 0.90163954340315 0.94546802806217 0.59759885184661 15.999 > 41 45 O 0.15163954340315 0.94546802806217 0.15240114815339 15.999 > 45 46 O 0.65163954340315 0.94546802806217 0.15240114815339 15.999 > 45 47 O 0.15163954340315 0.94546802806217 0.65240114815339 15.999 > 45 48 O 0.65163954340315 0.94546802806217 0.65240114815339 15.999 > 45 49 O 0.15163954340315 0.55453197193783 0.15240114815339 15.999 > 49 50 O 0.65163954340315 0.55453197193783 0.15240114815339 15.999 > 49 51 O 0.15163954340315 0.55453197193783 0.65240114815339 15.999 > 49 52 O 0.65163954340315 0.55453197193783 0.65240114815339 15.999 > 49 53 O 0.01694874584776 0.25000000000000 0.19679756771900 15.999 > 53 54 O 0.51694874584776 0.25000000000000 0.19679756771900 15.999 > 53 55 O 0.01694874584776 0.25000000000000 0.69679756771900 15.999 > 53 56 O 0.51694874584776 0.25000000000000 0.69679756771900 15.999 > 53 57 O 0.48305125415224 0.75000000000000 0.30320243228100 15.999 > 57 58 O 0.98305125415224 0.75000000000000 0.30320243228100 15.999 > 57 59 O 0.48305125415224 0.75000000000000 0.80320243228100 15.999 > 57 60 O 0.98305125415224 0.75000000000000 0.80320243228100 15.999 > 57 61 O 0.34836045659685 0.05453197193783 0.34759885184661 15.999 > 61 62 O 0.84836045659685 0.05453197193783 0.34759885184661 15.999 > 61 63 O 0.34836045659685 0.05453197193783 0.84759885184661 15.999 > 61 64 O 0.84836045659685 0.05453197193783 0.84759885184661 15.999 > 61 65 O 0.34836045659685 0.44546802806217 0.34759885184661 15.999 > 65 66 O 0.84836045659685 0.44546802806217 0.34759885184661 15.999 > 65 67 O 0.34836045659685 0.44546802806217 0.84759885184661 15.999 > 65 68 O 0.84836045659685 0.44546802806217 0.84759885184661 15.999 > 65 69 O 0.09836045659685 0.44546802806217 0.40240114815339 15.999 > 69 70 O 0.59836045659685 0.44546802806217 0.40240114815339 15.999 > 69 71 O 0.09836045659685 0.44546802806217 0.90240114815339 15.999 > 69 72 O 0.59836045659685 0.44546802806217 0.90240114815339 15.999 > 69 73 O 0.09836045659685 0.05453197193783 0.40240114815339 15.999 > 73 74 O 0.59836045659685 0.05453197193783 0.40240114815339 15.999 > 73 75 O 0.09836045659685 0.05453197193783 0.90240114815339 15.999 > 73 76 O 0.59836045659685 0.05453197193783 0.90240114815339 15.999 > 73 77 O 0.23305125415224 0.75000000000000 0.44679756771900 15.999 > 77 78 O 0.73305125415224 0.75000000000000 0.44679756771900 15.999 > 77 79 O 0.23305125415224 0.75000000000000 0.94679756771900 15.999 > 77 80 O 0.73305125415224 0.75000000000000 0.94679756771900 15.999 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.6510248 0.0000000 0.0000000 0.0000000 4.5068363 0.0000000 0.0000000 0.0000000 4.6645315 -------------------------- Born effective charges -------------------------- 1 Tb 3.9530519 0.0000000 -0.0711421 0.0000000 3.6293120 0.0000000 -0.2152727 0.0000000 4.0241203 2 Tb 3.9530519 0.0000000 0.0711421 0.0000000 3.6293120 0.0000000 0.2152727 0.0000000 4.0241203 3 Tb 3.9530519 0.0000000 0.0711421 0.0000000 3.6293120 0.0000000 0.2152727 0.0000000 4.0241203 4 Tb 3.9530519 0.0000000 -0.0711421 0.0000000 3.6293120 0.0000000 -0.2152727 0.0000000 4.0241203 5 Ga 3.3746227 -0.0894006 0.0983936 -0.0384552 3.2987679 0.0112149 0.1508004 0.1189662 3.2556798 6 Ga 3.3746227 -0.0894006 -0.0983936 -0.0384552 3.2987679 -0.0112149 -0.1508004 -0.1189662 3.2556798 7 Ga 3.3746227 0.0894006 -0.0983936 0.0384552 3.2987679 0.0112149 -0.1508004 0.1189662 3.2556798 8 Ga 3.3746227 0.0894006 0.0983936 0.0384552 3.2987679 -0.0112149 0.1508004 -0.1189662 3.2556798 9 O -2.1458604 0.0000000 0.3842834 0.0000000 -2.5209901 0.0000000 0.3811508 0.0000000 -2.5323924 10 O -2.5909071 -0.1220092 -0.1328952 -0.1543460 -2.2035449 -0.1125789 -0.1126331 -0.1449963 -2.3737039 11 O -2.5909071 0.1220092 -0.1328952 0.1543460 -2.2035449 0.1125789 -0.1126331 0.1449963 -2.3737039 12 O -2.5909071 0.1220092 0.1328952 0.1543460 -2.2035449 -0.1125789 0.1126331 -0.1449963 -2.3737039 13 O -2.5909071 -0.1220092 0.1328952 -0.1543460 -2.2035449 0.1125789 0.1126331 0.1449963 -2.3737039 14 O -2.1458604 0.0000000 -0.3842834 0.0000000 -2.5209901 0.0000000 -0.3811508 0.0000000 -2.5323924 15 O -2.1458604 0.0000000 -0.3842834 0.0000000 -2.5209901 0.0000000 -0.3811508 0.0000000 -2.5323924 16 O -2.5909071 0.1220092 0.1328952 0.1543460 -2.2035449 -0.1125789 0.1126331 -0.1449963 -2.3737039 17 O -2.5909071 -0.1220092 0.1328952 -0.1543460 -2.2035449 0.1125789 0.1126331 0.1449963 -2.3737039 18 O -2.5909071 -0.1220092 -0.1328952 -0.1543460 -2.2035449 -0.1125789 -0.1126331 -0.1449963 -2.3737039 19 O -2.5909071 0.1220092 -0.1328952 0.1543460 -2.2035449 0.1125789 -0.1126331 0.1449963 -2.3737039 20 O -2.1458604 0.0000000 0.3842834 0.0000000 -2.5209901 0.0000000 0.3811508 0.0000000 -2.5323924 ---------------------------------------------------------------------------- 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[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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[ 37, 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: -0.00000005 (xxx) -0.00000005 (xxx) -0.00000005 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000004 (yz) -0.00000004 (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 23:54:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:54:58]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.549259400000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.547677440000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.252542370000000 Atomic positions (fractional): 1 Tb 0.06865713634703 0.75000000000000 0.01924483886708 158.925 2 Tb 0.56865713634703 0.75000000000000 0.48075516113292 158.925 3 Tb 0.43134286365297 0.25000000000000 0.51924483886708 158.925 4 Tb 0.93134286365297 0.25000000000000 0.98075516113292 158.925 5 Ga 0.50000000000000 0.50000000000000 0.00000000000000 69.723 6 Ga 0.00000000000000 0.50000000000000 0.50000000000000 69.723 7 Ga 0.00000000000000 0.00000000000000 0.50000000000000 69.723 8 Ga 0.50000000000000 0.00000000000000 0.00000000000000 69.723 9 O 0.53389749169552 0.25000000000000 0.10640486456200 15.999 10 O 0.80327908680631 0.55453197193783 0.19519770369323 15.999 11 O 0.80327908680631 0.94546802806217 0.19519770369323 15.999 12 O 0.30327908680631 0.94546802806217 0.30480229630677 15.999 13 O 0.30327908680631 0.55453197193783 0.30480229630677 15.999 14 O 0.03389749169552 0.25000000000000 0.39359513543800 15.999 15 O 0.96610250830448 0.75000000000000 0.60640486456200 15.999 16 O 0.69672091319369 0.05453197193783 0.69519770369323 15.999 17 O 0.69672091319369 0.44546802806217 0.69519770369323 15.999 18 O 0.19672091319369 0.44546802806217 0.80480229630677 15.999 19 O 0.19672091319369 0.05453197193783 0.80480229630677 15.999 20 O 0.46610250830448 0.75000000000000 0.89359513543800 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.098518800000001 0.000000000000000 0.000000000000000 b 0.000000000000000 7.547677440000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.505084739999999 Atomic positions (fractional): 1 Tb 0.03432856817352 0.75000000000000 0.00962241943354 158.925 > 1 2 Tb 0.53432856817352 0.75000000000000 0.00962241943354 158.925 > 1 3 Tb 0.03432856817352 0.75000000000000 0.50962241943354 158.925 > 1 4 Tb 0.53432856817352 0.75000000000000 0.50962241943354 158.925 > 1 5 Tb 0.28432856817352 0.75000000000000 0.24037758056646 158.925 > 5 6 Tb 0.78432856817352 0.75000000000000 0.24037758056646 158.925 > 5 7 Tb 0.28432856817352 0.75000000000000 0.74037758056646 158.925 > 5 8 Tb 0.78432856817352 0.75000000000000 0.74037758056646 158.925 > 5 9 Tb 0.21567143182648 0.25000000000000 0.25962241943354 158.925 > 9 10 Tb 0.71567143182648 0.25000000000000 0.25962241943354 158.925 > 9 11 Tb 0.21567143182648 0.25000000000000 0.75962241943354 158.925 > 9 12 Tb 0.71567143182648 0.25000000000000 0.75962241943354 158.925 > 9 13 Tb 0.46567143182648 0.25000000000000 0.49037758056646 158.925 > 13 14 Tb 0.96567143182648 0.25000000000000 0.49037758056646 158.925 > 13 15 Tb 0.46567143182648 0.25000000000000 0.99037758056646 158.925 > 13 16 Tb 0.96567143182648 0.25000000000000 0.99037758056646 158.925 > 13 17 Ga 0.25000000000000 0.50000000000000 0.00000000000000 69.723 > 17 18 Ga 0.75000000000000 0.50000000000000 0.00000000000000 69.723 > 17 19 Ga 0.25000000000000 0.50000000000000 0.50000000000000 69.723 > 17 20 Ga 0.75000000000000 0.50000000000000 0.50000000000000 69.723 > 17 21 Ga 0.00000000000000 0.50000000000000 0.25000000000000 69.723 > 21 22 Ga 0.50000000000000 0.50000000000000 0.25000000000000 69.723 > 21 23 Ga 0.00000000000000 0.50000000000000 0.75000000000000 69.723 > 21 24 Ga 0.50000000000000 0.50000000000000 0.75000000000000 69.723 > 21 25 Ga 0.00000000000000 0.00000000000000 0.25000000000000 69.723 > 25 26 Ga 0.50000000000000 0.00000000000000 0.25000000000000 69.723 > 25 27 Ga 0.00000000000000 0.00000000000000 0.75000000000000 69.723 > 25 28 Ga 0.50000000000000 0.00000000000000 0.75000000000000 69.723 > 25 29 Ga 0.25000000000000 0.00000000000000 0.00000000000000 69.723 > 29 30 Ga 0.75000000000000 0.00000000000000 0.00000000000000 69.723 > 29 31 Ga 0.25000000000000 0.00000000000000 0.50000000000000 69.723 > 29 32 Ga 0.75000000000000 0.00000000000000 0.50000000000000 69.723 > 29 33 O 0.26694874584776 0.25000000000000 0.05320243228100 15.999 > 33 34 O 0.76694874584776 0.25000000000000 0.05320243228100 15.999 > 33 35 O 0.26694874584776 0.25000000000000 0.55320243228100 15.999 > 33 36 O 0.76694874584776 0.25000000000000 0.55320243228100 15.999 > 33 37 O 0.40163954340315 0.55453197193783 0.09759885184662 15.999 > 37 38 O 0.90163954340315 0.55453197193783 0.09759885184662 15.999 > 37 39 O 0.40163954340315 0.55453197193783 0.59759885184661 15.999 > 37 40 O 0.90163954340315 0.55453197193783 0.59759885184661 15.999 > 37 41 O 0.40163954340315 0.94546802806217 0.09759885184662 15.999 > 41 42 O 0.90163954340315 0.94546802806217 0.09759885184662 15.999 > 41 43 O 0.40163954340315 0.94546802806217 0.59759885184661 15.999 > 41 44 O 0.90163954340315 0.94546802806217 0.59759885184661 15.999 > 41 45 O 0.15163954340315 0.94546802806217 0.15240114815339 15.999 > 45 46 O 0.65163954340315 0.94546802806217 0.15240114815339 15.999 > 45 47 O 0.15163954340315 0.94546802806217 0.65240114815339 15.999 > 45 48 O 0.65163954340315 0.94546802806217 0.65240114815339 15.999 > 45 49 O 0.15163954340315 0.55453197193783 0.15240114815339 15.999 > 49 50 O 0.65163954340315 0.55453197193783 0.15240114815339 15.999 > 49 51 O 0.15163954340315 0.55453197193783 0.65240114815339 15.999 > 49 52 O 0.65163954340315 0.55453197193783 0.65240114815339 15.999 > 49 53 O 0.01694874584776 0.25000000000000 0.19679756771900 15.999 > 53 54 O 0.51694874584776 0.25000000000000 0.19679756771900 15.999 > 53 55 O 0.01694874584776 0.25000000000000 0.69679756771900 15.999 > 53 56 O 0.51694874584776 0.25000000000000 0.69679756771900 15.999 > 53 57 O 0.48305125415224 0.75000000000000 0.30320243228100 15.999 > 57 58 O 0.98305125415224 0.75000000000000 0.30320243228100 15.999 > 57 59 O 0.48305125415224 0.75000000000000 0.80320243228100 15.999 > 57 60 O 0.98305125415224 0.75000000000000 0.80320243228100 15.999 > 57 61 O 0.34836045659685 0.05453197193783 0.34759885184661 15.999 > 61 62 O 0.84836045659685 0.05453197193783 0.34759885184661 15.999 > 61 63 O 0.34836045659685 0.05453197193783 0.84759885184661 15.999 > 61 64 O 0.84836045659685 0.05453197193783 0.84759885184661 15.999 > 61 65 O 0.34836045659685 0.44546802806217 0.34759885184661 15.999 > 65 66 O 0.84836045659685 0.44546802806217 0.34759885184661 15.999 > 65 67 O 0.34836045659685 0.44546802806217 0.84759885184661 15.999 > 65 68 O 0.84836045659685 0.44546802806217 0.84759885184661 15.999 > 65 69 O 0.09836045659685 0.44546802806217 0.40240114815339 15.999 > 69 70 O 0.59836045659685 0.44546802806217 0.40240114815339 15.999 > 69 71 O 0.09836045659685 0.44546802806217 0.90240114815339 15.999 > 69 72 O 0.59836045659685 0.44546802806217 0.90240114815339 15.999 > 69 73 O 0.09836045659685 0.05453197193783 0.40240114815339 15.999 > 73 74 O 0.59836045659685 0.05453197193783 0.40240114815339 15.999 > 73 75 O 0.09836045659685 0.05453197193783 0.90240114815339 15.999 > 73 76 O 0.59836045659685 0.05453197193783 0.90240114815339 15.999 > 73 77 O 0.23305125415224 0.75000000000000 0.44679756771900 15.999 > 77 78 O 0.73305125415224 0.75000000000000 0.44679756771900 15.999 > 77 79 O 0.23305125415224 0.75000000000000 0.94679756771900 15.999 > 77 80 O 0.73305125415224 0.75000000000000 0.94679756771900 15.999 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.6510248 0.0000000 0.0000000 0.0000000 4.5068363 0.0000000 0.0000000 0.0000000 4.6645315 -------------------------- Born effective charges -------------------------- 1 Tb 3.9530519 0.0000000 -0.0711421 0.0000000 3.6293120 0.0000000 -0.2152727 0.0000000 4.0241203 2 Tb 3.9530519 0.0000000 0.0711421 0.0000000 3.6293120 0.0000000 0.2152727 0.0000000 4.0241203 3 Tb 3.9530519 0.0000000 0.0711421 0.0000000 3.6293120 0.0000000 0.2152727 0.0000000 4.0241203 4 Tb 3.9530519 0.0000000 -0.0711421 0.0000000 3.6293120 0.0000000 -0.2152727 0.0000000 4.0241203 5 Ga 3.3746227 -0.0894006 0.0983936 -0.0384552 3.2987679 0.0112149 0.1508004 0.1189662 3.2556798 6 Ga 3.3746227 -0.0894006 -0.0983936 -0.0384552 3.2987679 -0.0112149 -0.1508004 -0.1189662 3.2556798 7 Ga 3.3746227 0.0894006 -0.0983936 0.0384552 3.2987679 0.0112149 -0.1508004 0.1189662 3.2556798 8 Ga 3.3746227 0.0894006 0.0983936 0.0384552 3.2987679 -0.0112149 0.1508004 -0.1189662 3.2556798 9 O -2.1458604 0.0000000 0.3842834 0.0000000 -2.5209901 0.0000000 0.3811508 0.0000000 -2.5323924 10 O -2.5909071 -0.1220092 -0.1328952 -0.1543460 -2.2035449 -0.1125789 -0.1126331 -0.1449963 -2.3737039 11 O -2.5909071 0.1220092 -0.1328952 0.1543460 -2.2035449 0.1125789 -0.1126331 0.1449963 -2.3737039 12 O -2.5909071 0.1220092 0.1328952 0.1543460 -2.2035449 -0.1125789 0.1126331 -0.1449963 -2.3737039 13 O -2.5909071 -0.1220092 0.1328952 -0.1543460 -2.2035449 0.1125789 0.1126331 0.1449963 -2.3737039 14 O -2.1458604 0.0000000 -0.3842834 0.0000000 -2.5209901 0.0000000 -0.3811508 0.0000000 -2.5323924 15 O -2.1458604 0.0000000 -0.3842834 0.0000000 -2.5209901 0.0000000 -0.3811508 0.0000000 -2.5323924 16 O -2.5909071 0.1220092 0.1328952 0.1543460 -2.2035449 -0.1125789 0.1126331 -0.1449963 -2.3737039 17 O -2.5909071 -0.1220092 0.1328952 -0.1543460 -2.2035449 0.1125789 0.1126331 0.1449963 -2.3737039 18 O -2.5909071 -0.1220092 -0.1328952 -0.1543460 -2.2035449 -0.1125789 -0.1126331 -0.1449963 -2.3737039 19 O -2.5909071 0.1220092 -0.1328952 0.1543460 -2.2035449 0.1125789 -0.1126331 0.1449963 -2.3737039 20 O -2.1458604 0.0000000 0.3842834 0.0000000 -2.5209901 0.0000000 0.3811508 0.0000000 -2.5323924 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000005 (xxx) -0.00000005 (xxx) -0.00000005 (xxx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 7 10 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.69, Number of G-points: 303, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/120) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.598 ( 0.000 0.000 0.000) 0.000 3.226 ( 0.000 0.000 0.000) 0.000 3.329 ( 0.000 0.000 0.000) 0.000 3.348 ( 0.000 0.000 0.000) 0.000 3.542 ( 0.000 0.000 0.000) 0.000 3.971 ( 0.000 0.000 0.000) 0.000 4.279 ( 0.000 0.000 0.000) 0.000 4.460 ( 0.000 0.000 0.000) 0.000 4.677 ( 0.000 0.000 0.000) 0.000 4.784 ( 0.000 0.000 0.000) 0.000 4.929 ( 0.000 0.000 0.000) 0.000 5.070 ( 0.000 0.000 0.000) 0.000 5.203 ( 0.000 0.000 0.000) 0.000 5.545 ( 0.000 0.000 0.000) 0.000 5.545 ( 0.000 0.000 0.000) 0.000 7.116 ( 0.000 0.000 0.000) 0.000 7.187 ( 0.000 0.000 0.000) 0.000 7.217 ( 0.000 0.000 0.000) 0.000 7.602 ( 0.000 0.000 0.000) 0.000 7.641 ( 0.000 0.000 0.000) 0.000 8.026 ( 0.000 0.000 0.000) 0.000 8.258 ( 0.000 0.000 0.000) 0.000 8.483 ( 0.000 0.000 0.000) 0.000 8.511 ( 0.000 0.000 0.000) 0.000 8.553 ( 0.000 0.000 0.000) 0.000 9.262 ( 0.000 0.000 0.000) 0.000 9.279 ( 0.000 0.000 0.000) 0.000 9.495 ( 0.000 0.000 0.000) 0.000 9.609 ( 0.000 0.000 0.000) 0.000 9.766 ( 0.000 0.000 0.000) 0.000 10.252 ( 0.000 0.000 0.000) 0.000 10.332 ( 0.000 0.000 0.000) 0.000 10.637 ( 0.000 0.000 0.000) 0.000 10.846 ( 0.000 0.000 0.000) 0.000 11.062 ( 0.000 0.000 0.000) 0.000 11.466 ( 0.000 0.000 0.000) 0.000 11.590 ( 0.000 0.000 0.000) 0.000 11.691 ( 0.000 0.000 0.000) 0.000 11.868 ( 0.000 0.000 0.000) 0.000 12.303 ( 0.000 0.000 0.000) 0.000 12.380 ( 0.000 0.000 0.000) 0.000 13.443 ( 0.000 0.000 0.000) 0.000 14.262 ( 0.000 0.000 0.000) 0.000 14.732 ( 0.000 0.000 0.000) 0.000 14.848 ( 0.000 0.000 0.000) 0.000 15.463 ( 0.000 0.000 0.000) 0.000 15.700 ( 0.000 0.000 0.000) 0.000 15.739 ( 0.000 0.000 0.000) 0.000 16.078 ( 0.000 0.000 0.000) 0.000 16.102 ( 0.000 0.000 0.000) 0.000 16.565 ( 0.000 0.000 0.000) 0.000 16.642 ( 0.000 0.000 0.000) 0.000 16.997 ( 0.000 0.000 0.000) 0.000 17.409 ( 0.000 0.000 0.000) 0.000 18.324 ( 0.000 0.000 0.000) 0.000 18.882 ( 0.000 0.000 0.000) 0.000 19.640 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/120) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.608 ( 29.913 0.000 0.000) 29.913 0.761 ( 37.398 0.000 0.000) 37.398 1.172 ( 56.390 0.000 0.000) 56.390 2.630 ( 3.044 0.000 0.000) 3.044 3.169 ( -6.119 0.000 0.000) 6.119 3.350 ( 2.028 0.000 0.000) 2.028 3.368 ( 1.513 0.000 0.000) 1.513 3.557 ( 1.450 0.000 0.000) 1.450 3.892 ( -7.432 0.000 0.000) 7.432 4.095 ( -22.669 0.000 0.000) 22.669 4.256 ( -2.384 0.000 0.000) 2.384 4.806 ( 1.507 0.000 0.000) 1.507 4.812 ( -11.281 0.000 0.000) 11.281 4.908 ( 5.828 0.000 0.000) 5.828 5.196 ( 16.186 0.000 0.000) 16.186 5.303 ( 9.872 0.000 0.000) 9.872 5.520 ( -4.065 0.000 0.000) 4.065 5.592 ( 5.046 0.000 0.000) 5.046 7.179 ( -0.718 0.000 0.000) 0.718 7.195 ( -2.511 0.000 0.000) 2.511 7.486 ( 2.836 0.000 0.000) 2.836 7.546 ( -2.513 0.000 0.000) 2.513 7.696 ( 1.000 0.000 0.000) 1.000 7.983 ( -3.885 0.000 0.000) 3.885 8.253 ( -0.562 0.000 0.000) 0.562 8.414 ( -12.643 0.000 0.000) 12.643 8.435 ( -6.748 0.000 0.000) 6.748 8.548 ( 4.373 0.000 0.000) 4.373 9.142 ( -11.084 0.000 0.000) 11.084 9.556 ( 3.641 0.000 0.000) 3.641 9.648 ( 2.774 0.000 0.000) 2.774 9.751 ( -1.131 0.000 0.000) 1.131 10.234 ( -1.948 0.000 0.000) 1.948 10.358 ( 2.423 0.000 0.000) 2.423 10.570 ( -5.947 0.000 0.000) 5.947 10.832 ( -1.251 0.000 0.000) 1.251 11.137 ( 7.750 0.000 0.000) 7.750 11.323 ( -9.427 0.000 0.000) 9.427 11.773 ( 14.061 0.000 0.000) 14.061 11.894 ( 15.184 0.000 0.000) 15.184 12.067 ( 19.300 0.000 0.000) 19.300 12.213 ( -9.018 0.000 0.000) 9.018 12.384 ( 7.657 0.000 0.000) 7.657 12.899 ( 10.724 0.000 0.000) 10.724 14.184 ( -7.313 0.000 0.000) 7.313 14.640 ( -9.018 0.000 0.000) 9.018 14.829 ( -1.215 0.000 0.000) 1.215 15.461 ( 0.852 0.000 0.000) 0.852 15.485 ( 4.488 0.000 0.000) 4.488 15.578 ( -11.766 0.000 0.000) 11.766 15.731 ( -1.445 0.000 0.000) 1.445 16.171 ( 8.112 0.000 0.000) 8.112 16.571 ( 2.169 0.000 0.000) 2.169 16.632 ( -0.778 0.000 0.000) 0.778 16.980 ( -1.516 0.000 0.000) 1.516 17.329 ( -8.021 0.000 0.000) 8.021 18.419 ( 8.923 0.000 0.000) 8.923 18.882 ( -0.020 0.000 0.000) 0.020 19.024 ( -1.284 0.000 0.000) 1.284 19.623 ( -1.690 0.000 0.000) 1.690 ======================= Grid point 2 (3/120) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( 27.832 0.000 0.000) 27.832 1.484 ( 34.392 0.000 0.000) 34.392 2.197 ( 43.656 0.000 0.000) 43.656 2.706 ( 4.009 0.000 0.000) 4.009 3.016 ( -8.790 0.000 0.000) 8.790 3.404 ( 3.011 0.000 0.000) 3.011 3.421 ( 4.936 0.000 0.000) 4.936 3.597 ( 2.600 0.000 0.000) 2.600 3.653 ( -20.639 0.000 0.000) 20.639 3.699 ( -11.109 0.000 0.000) 11.109 4.183 ( -4.805 0.000 0.000) 4.805 4.507 ( -18.197 0.000 0.000) 18.197 4.814 ( -1.170 0.000 0.000) 1.170 4.912 ( -2.830 0.000 0.000) 2.830 5.427 ( -3.999 0.000 0.000) 3.999 5.588 ( 18.118 0.000 0.000) 18.118 5.629 ( 24.201 0.000 0.000) 24.201 5.762 ( 12.063 0.000 0.000) 12.063 7.093 ( -8.365 0.000 0.000) 8.365 7.162 ( -0.901 0.000 0.000) 0.901 7.493 ( -4.212 0.000 0.000) 4.212 7.553 ( 2.766 0.000 0.000) 2.766 7.632 ( -6.479 0.000 0.000) 6.479 7.884 ( -6.056 0.000 0.000) 6.056 8.102 ( -17.495 0.000 0.000) 17.495 8.230 ( -2.032 0.000 0.000) 2.032 8.289 ( -5.889 0.000 0.000) 5.889 8.702 ( 10.745 0.000 0.000) 10.745 8.891 ( -12.999 0.000 0.000) 12.999 9.603 ( 1.048 0.000 0.000) 1.048 9.673 ( -0.932 0.000 0.000) 0.932 9.728 ( -1.309 0.000 0.000) 1.309 10.170 ( -3.999 0.000 0.000) 3.999 10.424 ( 4.121 0.000 0.000) 4.121 10.431 ( -7.376 0.000 0.000) 7.376 10.809 ( -0.565 0.000 0.000) 0.565 11.137 ( -9.040 0.000 0.000) 9.040 11.375 ( 15.810 0.000 0.000) 15.810 11.731 ( -14.915 0.000 0.000) 14.915 12.226 ( 16.722 0.000 0.000) 16.722 12.433 ( 25.480 0.000 0.000) 25.480 12.582 ( 11.353 0.000 0.000) 11.353 12.605 ( 33.305 0.000 0.000) 33.305 13.105 ( 9.420 0.000 0.000) 9.420 14.003 ( -9.607 0.000 0.000) 9.607 14.391 ( -15.092 0.000 0.000) 15.092 14.843 ( 4.116 0.000 0.000) 4.116 15.258 ( -19.340 0.000 0.000) 19.340 15.517 ( 4.541 0.000 0.000) 4.541 15.595 ( 5.875 0.000 0.000) 5.875 15.640 ( -8.689 0.000 0.000) 8.689 16.352 ( 9.023 0.000 0.000) 9.023 16.622 ( 2.595 0.000 0.000) 2.595 16.627 ( 0.712 0.000 0.000) 0.712 16.941 ( -2.303 0.000 0.000) 2.303 17.088 ( -16.001 0.000 0.000) 16.001 18.646 ( 12.912 0.000 0.000) 12.912 18.881 ( -0.034 0.000 0.000) 0.034 18.989 ( -2.026 0.000 0.000) 2.026 19.571 ( -3.556 0.000 0.000) 3.556 ======================= Grid point 3 (4/120) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( 24.522 0.000 0.000) 24.522 2.118 ( 28.302 0.000 0.000) 28.302 2.747 ( -0.809 0.000 0.000) 0.809 2.768 ( 1.631 0.000 0.000) 1.631 2.902 ( 9.219 0.000 0.000) 9.219 3.302 ( -13.575 0.000 0.000) 13.575 3.446 ( 0.241 0.000 0.000) 0.241 3.471 ( -11.240 0.000 0.000) 11.240 3.610 ( 12.712 0.000 0.000) 12.712 3.670 ( 4.847 0.000 0.000) 4.847 4.067 ( -6.561 0.000 0.000) 6.561 4.132 ( -17.596 0.000 0.000) 17.596 4.763 ( -3.264 0.000 0.000) 3.264 4.831 ( -4.790 0.000 0.000) 4.790 5.438 ( 7.481 0.000 0.000) 7.481 6.005 ( 22.668 0.000 0.000) 22.668 6.068 ( 18.051 0.000 0.000) 18.051 6.121 ( 24.409 0.000 0.000) 24.409 6.835 ( -17.443 0.000 0.000) 17.443 7.135 ( -2.561 0.000 0.000) 2.561 7.288 ( -15.892 0.000 0.000) 15.892 7.465 ( -14.465 0.000 0.000) 14.465 7.534 ( -3.065 0.000 0.000) 3.065 7.750 ( -16.591 0.000 0.000) 16.591 7.819 ( 2.371 0.000 0.000) 2.371 8.162 ( -4.792 0.000 0.000) 4.792 8.260 ( 2.912 0.000 0.000) 2.912 8.657 ( -9.776 0.000 0.000) 9.776 8.948 ( 13.119 0.000 0.000) 13.119 9.602 ( -6.125 0.000 0.000) 6.125 9.608 ( -0.133 0.000 0.000) 0.133 9.692 ( -2.296 0.000 0.000) 2.296 10.102 ( -2.155 0.000 0.000) 2.155 10.286 ( -6.890 0.000 0.000) 6.890 10.521 ( 5.581 0.000 0.000) 5.581 10.830 ( 3.026 0.000 0.000) 3.026 10.961 ( -8.553 0.000 0.000) 8.553 11.412 ( -15.501 0.000 0.000) 15.501 11.747 ( 20.438 0.000 0.000) 20.438 12.494 ( 7.771 0.000 0.000) 7.771 12.815 ( 11.380 0.000 0.000) 11.380 12.909 ( 18.919 0.000 0.000) 18.919 13.271 ( 7.359 0.000 0.000) 7.359 13.349 ( 39.628 0.000 0.000) 39.628 13.867 ( -1.668 0.000 0.000) 1.668 14.067 ( -16.634 0.000 0.000) 16.634 14.832 ( -22.565 0.000 0.000) 22.565 15.054 ( 17.855 0.000 0.000) 17.855 15.354 ( -20.086 0.000 0.000) 20.086 15.622 ( 5.319 0.000 0.000) 5.319 15.699 ( 4.136 0.000 0.000) 4.136 16.505 ( 4.884 0.000 0.000) 4.884 16.664 ( 1.366 0.000 0.000) 1.366 16.667 ( 3.133 0.000 0.000) 3.133 16.697 ( -21.776 0.000 0.000) 21.776 16.888 ( -3.003 0.000 0.000) 3.003 18.882 ( 0.159 0.000 0.000) 0.159 18.909 ( 12.855 0.000 0.000) 12.855 18.947 ( -2.026 0.000 0.000) 2.026 19.479 ( -5.725 0.000 0.000) 5.725 ======================= Grid point 4 (5/120) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( 20.185 0.000 0.000) 20.185 2.519 ( -15.251 0.000 0.000) 15.251 2.578 ( 16.269 0.000 0.000) 16.269 2.756 ( -3.280 0.000 0.000) 3.280 3.146 ( -0.961 0.000 0.000) 0.961 3.149 ( 11.771 0.000 0.000) 11.771 3.257 ( -9.786 0.000 0.000) 9.786 3.368 ( -8.618 0.000 0.000) 8.618 3.789 ( 6.746 0.000 0.000) 6.746 3.795 ( 4.594 0.000 0.000) 4.594 3.877 ( -6.754 0.000 0.000) 6.754 3.930 ( -7.017 0.000 0.000) 7.017 4.715 ( -0.804 0.000 0.000) 0.804 4.743 ( -3.378 0.000 0.000) 3.378 5.772 ( 24.379 0.000 0.000) 24.379 6.264 ( -15.980 0.000 0.000) 15.980 6.459 ( 20.030 0.000 0.000) 20.030 6.576 ( 18.862 0.000 0.000) 18.862 6.611 ( 14.614 0.000 0.000) 14.614 6.929 ( -17.393 0.000 0.000) 17.393 6.997 ( -12.545 0.000 0.000) 12.545 7.062 ( -23.497 0.000 0.000) 23.497 7.485 ( -1.643 0.000 0.000) 1.643 7.509 ( -5.851 0.000 0.000) 5.851 7.919 ( 6.220 0.000 0.000) 6.220 8.047 ( -6.354 0.000 0.000) 6.354 8.364 ( 6.413 0.000 0.000) 6.413 8.496 ( -6.871 0.000 0.000) 6.871 9.208 ( 12.472 0.000 0.000) 12.472 9.437 ( -10.099 0.000 0.000) 10.099 9.612 ( 0.773 0.000 0.000) 0.773 9.643 ( -2.255 0.000 0.000) 2.255 10.096 ( 1.622 0.000 0.000) 1.622 10.164 ( -5.006 0.000 0.000) 5.006 10.647 ( 6.904 0.000 0.000) 6.904 10.796 ( -7.905 0.000 0.000) 7.905 10.936 ( 7.613 0.000 0.000) 7.613 11.134 ( -12.024 0.000 0.000) 12.024 12.156 ( 19.367 0.000 0.000) 19.367 12.468 ( -10.101 0.000 0.000) 10.101 13.017 ( 8.273 0.000 0.000) 8.273 13.109 ( 0.773 0.000 0.000) 0.773 13.456 ( 12.385 0.000 0.000) 12.385 13.742 ( -15.548 0.000 0.000) 15.548 13.999 ( 14.370 0.000 0.000) 14.370 14.138 ( 37.513 0.000 0.000) 37.513 14.382 ( -21.218 0.000 0.000) 21.218 14.841 ( -30.818 0.000 0.000) 30.818 15.536 ( 28.129 0.000 0.000) 28.129 15.710 ( 3.071 0.000 0.000) 3.071 15.750 ( 1.236 0.000 0.000) 1.236 16.143 ( -28.889 0.000 0.000) 28.889 16.629 ( 3.405 0.000 0.000) 3.405 16.671 ( -0.788 0.000 0.000) 0.788 16.742 ( 4.040 0.000 0.000) 4.040 16.821 ( -3.726 0.000 0.000) 3.726 18.890 ( 0.712 0.000 0.000) 0.712 18.912 ( -1.462 0.000 0.000) 1.462 19.148 ( 10.839 0.000 0.000) 10.839 19.339 ( -8.228 0.000 0.000) 8.228 ======================= Grid point 9 (6/120) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.623 ( 0.000 32.436 0.000) 32.436 0.705 ( 0.000 36.715 0.000) 36.715 1.104 ( 0.000 56.736 0.000) 56.736 2.605 ( 0.000 -0.315 0.000) 0.315 3.222 ( 0.000 -0.326 0.000) 0.326 3.247 ( 0.000 -10.354 0.000) 10.354 3.289 ( 0.000 -3.134 0.000) 3.134 3.607 ( 0.000 6.683 0.000) 6.683 3.927 ( 0.000 -4.555 0.000) 4.555 4.172 ( 0.000 -10.005 0.000) 10.005 4.424 ( 0.000 -4.056 0.000) 4.056 4.738 ( 0.000 5.894 0.000) 5.894 4.820 ( 0.000 -4.132 0.000) 4.132 4.864 ( 0.000 1.029 0.000) 1.029 5.196 ( 0.000 -0.717 0.000) 0.717 5.522 ( 0.000 -2.618 0.000) 2.618 5.639 ( 0.000 9.471 0.000) 9.471 5.795 ( 0.000 8.243 0.000) 8.243 6.997 ( 0.000 -11.868 0.000) 11.868 7.141 ( 0.000 -7.843 0.000) 7.843 7.249 ( 0.000 6.423 0.000) 6.423 7.666 ( 0.000 2.290 0.000) 2.290 7.977 ( 0.000 -4.010 0.000) 4.010 8.207 ( 0.000 3.849 0.000) 3.849 8.216 ( 0.000 -4.394 0.000) 4.394 8.469 ( 0.000 -1.386 0.000) 1.386 8.554 ( 0.000 0.471 0.000) 0.471 9.243 ( 0.000 -1.583 0.000) 1.583 9.311 ( 0.000 3.076 0.000) 3.076 9.370 ( 0.000 -1.504 0.000) 1.504 9.408 ( 0.000 -8.708 0.000) 8.708 9.599 ( 0.000 -1.055 0.000) 1.055 9.769 ( 0.000 0.335 0.000) 0.335 10.075 ( 0.000 -8.511 0.000) 8.511 10.573 ( 0.000 -5.075 0.000) 5.075 10.611 ( 0.000 18.425 0.000) 18.425 10.800 ( 0.000 -4.520 0.000) 4.520 11.551 ( 0.000 8.544 0.000) 8.544 11.586 ( 0.000 -0.424 0.000) 0.424 11.880 ( 0.000 1.118 0.000) 1.118 11.937 ( 0.000 23.610 0.000) 23.610 12.309 ( 0.000 0.767 0.000) 0.767 12.333 ( 0.000 -4.831 0.000) 4.831 13.476 ( 0.000 3.630 0.000) 3.630 14.310 ( 0.000 4.817 0.000) 4.817 14.665 ( 0.000 -14.859 0.000) 14.859 14.717 ( 0.000 -1.505 0.000) 1.505 15.366 ( 0.000 11.674 0.000) 11.674 15.468 ( 0.000 0.749 0.000) 0.749 15.596 ( 0.000 -17.250 0.000) 17.250 16.052 ( 0.000 -2.211 0.000) 2.211 16.075 ( 0.000 2.759 0.000) 2.759 16.082 ( 0.000 -2.090 0.000) 2.090 16.535 ( 0.000 -7.712 0.000) 7.712 16.539 ( 0.000 -2.753 0.000) 2.753 17.340 ( 0.000 -7.058 0.000) 7.058 18.361 ( 0.000 3.855 0.000) 3.855 18.946 ( 0.000 -2.989 0.000) 2.989 19.018 ( 0.000 12.633 0.000) 12.633 19.652 ( 0.000 1.054 0.000) 1.054 ======================= Grid point 10 (7/120) ======================= q-point: ( 0.11 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( 22.133 18.450 0.000) 28.814 0.855 ( 19.705 21.996 0.000) 29.532 1.701 ( 42.331 40.328 0.000) 58.466 2.621 ( 1.558 -1.675 0.000) 2.288 3.146 ( -5.598 -2.534 0.000) 6.145 3.255 ( -0.904 -10.122 0.000) 10.162 3.304 ( 1.477 -3.921 0.000) 4.190 3.621 ( 1.130 6.465 0.000) 6.564 3.847 ( -7.525 -4.670 0.000) 8.856 4.114 ( -13.050 -3.747 0.000) 13.578 4.166 ( -8.495 -3.297 0.000) 9.112 4.722 ( -10.263 -7.765 0.000) 12.869 4.891 ( 2.989 7.069 0.000) 7.675 4.971 ( 10.653 1.956 0.000) 10.831 5.297 ( 9.862 -0.712 0.000) 9.887 5.456 ( -7.015 6.385 0.000) 9.486 5.534 ( -2.037 13.680 0.000) 13.831 5.679 ( 4.303 8.827 0.000) 9.820 7.096 ( -3.833 -7.419 0.000) 8.351 7.154 ( 7.975 -17.794 0.000) 19.499 7.270 ( 1.181 6.595 0.000) 6.700 7.679 ( -0.282 2.009 0.000) 2.029 7.871 ( -10.902 5.052 0.000) 12.016 7.951 ( -6.320 2.978 0.000) 6.987 8.211 ( -0.731 -4.268 0.000) 4.330 8.418 ( -6.319 -1.454 0.000) 6.484 8.429 ( -11.440 1.466 0.000) 11.534 8.723 ( -2.412 14.130 0.000) 14.334 9.114 ( -13.360 -3.493 0.000) 13.809 9.505 ( 3.805 -3.775 0.000) 5.360 9.651 ( 4.062 -0.413 0.000) 4.083 9.720 ( -0.703 -3.597 0.000) 3.665 10.081 ( 0.803 -7.573 0.000) 7.615 10.519 ( -4.936 -4.164 0.000) 6.458 10.576 ( 36.074 -32.377 0.000) 48.473 10.631 ( 1.925 19.244 0.000) 19.340 10.783 ( -1.445 -4.584 0.000) 4.806 11.443 ( -8.301 11.264 0.000) 13.992 11.791 ( 17.073 -0.442 0.000) 17.078 12.071 ( 18.972 0.578 0.000) 18.981 12.094 ( 13.002 19.810 0.000) 23.696 12.303 ( -3.611 0.606 0.000) 3.661 12.380 ( 6.692 -0.170 0.000) 6.695 13.132 ( -11.825 15.995 0.000) 19.891 14.220 ( -8.332 3.395 0.000) 8.997 14.629 ( -8.728 -1.127 0.000) 8.801 14.708 ( 0.223 -13.770 0.000) 13.772 15.395 ( -0.506 2.270 0.000) 2.326 15.473 ( 1.591 1.326 0.000) 2.071 15.632 ( 2.356 -13.059 0.000) 13.270 15.807 ( -8.338 12.668 0.000) 15.165 16.129 ( 6.798 -3.443 0.000) 7.620 16.501 ( -3.117 -9.956 0.000) 10.433 16.518 ( 10.084 -14.245 0.000) 17.453 16.581 ( 5.517 -14.854 0.000) 15.846 17.262 ( -7.803 -6.890 0.000) 10.410 18.453 ( 8.678 3.632 0.000) 9.407 19.011 ( 2.964 -2.175 0.000) 3.677 19.018 ( -0.023 12.607 0.000) 12.607 19.636 ( -1.590 1.161 0.000) 1.969 ======================= Grid point 11 (8/120) ======================= q-point: ( 0.22 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( 23.428 11.319 0.000) 26.019 1.408 ( 31.011 -1.189 0.000) 31.034 2.527 ( 36.017 27.241 0.000) 45.159 2.666 ( 2.748 -4.342 0.000) 5.139 3.005 ( -8.356 -0.788 0.000) 8.393 3.224 ( -1.537 -15.773 0.000) 15.848 3.347 ( 2.732 -5.361 0.000) 6.017 3.615 ( -5.741 -0.835 0.000) 5.802 3.675 ( -5.225 0.372 0.000) 5.238 3.790 ( -13.080 9.363 0.000) 16.086 4.073 ( -5.022 -9.869 0.000) 11.074 4.439 ( -17.145 -5.912 0.000) 18.135 4.949 ( 2.152 11.996 0.000) 12.187 4.968 ( -5.730 3.416 0.000) 6.671 5.495 ( 0.845 6.431 0.000) 6.487 5.579 ( 17.954 -0.859 0.000) 17.975 5.681 ( 19.979 6.128 0.000) 20.898 5.828 ( 10.944 6.875 0.000) 12.924 6.993 ( -6.857 -7.363 0.000) 10.062 7.264 ( 2.990 -15.242 0.000) 15.532 7.273 ( -1.208 8.518 0.000) 8.604 7.611 ( -7.341 1.525 0.000) 7.498 7.748 ( -2.299 4.908 0.000) 5.420 7.832 ( -7.065 -1.931 0.000) 7.324 8.101 ( -14.784 -0.573 0.000) 14.796 8.221 ( -4.043 -0.575 0.000) 4.084 8.268 ( -6.572 -1.973 0.000) 6.862 8.806 ( 8.383 9.651 0.000) 12.783 8.828 ( -14.464 -6.710 0.000) 15.945 9.541 ( 0.033 -3.693 0.000) 3.693 9.705 ( -0.795 -2.691 0.000) 2.806 9.710 ( 1.157 1.347 0.000) 1.776 10.082 ( -0.533 -4.373 0.000) 4.405 10.400 ( -6.409 -2.449 0.000) 6.861 10.671 ( 2.273 20.362 0.000) 20.488 10.757 ( -0.650 -4.612 0.000) 4.658 11.039 ( 14.427 -23.102 0.000) 27.237 11.269 ( -8.744 12.657 0.000) 15.384 11.948 ( -4.042 10.892 0.000) 11.618 12.386 ( 14.834 15.781 0.000) 21.659 12.458 ( 23.132 2.126 0.000) 23.229 12.552 ( 9.804 -2.688 0.000) 10.166 12.600 ( 31.420 -0.732 0.000) 31.429 13.107 ( 5.887 1.578 0.000) 6.095 14.018 ( -10.720 1.155 0.000) 10.782 14.391 ( -14.087 0.172 0.000) 14.088 14.721 ( 2.752 -12.674 0.000) 12.969 15.257 ( -12.970 2.166 0.000) 13.149 15.543 ( 5.018 2.818 0.000) 5.755 15.630 ( -4.236 -3.223 0.000) 5.323 15.731 ( 0.662 11.140 0.000) 11.159 16.280 ( 7.305 -7.829 0.000) 10.708 16.439 ( -1.795 -14.877 0.000) 14.985 16.597 ( 1.970 -3.222 0.000) 3.776 16.672 ( 1.706 -22.566 0.000) 22.631 17.027 ( -15.676 -6.535 0.000) 16.983 18.676 ( 12.664 3.182 0.000) 13.058 19.017 ( -0.068 12.507 0.000) 12.507 19.037 ( 0.154 3.007 0.000) 3.011 19.587 ( -3.391 1.447 0.000) 3.687 ======================= Grid point 12 (9/120) ======================= q-point: ( 0.33 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( 21.772 4.656 0.000) 22.264 1.999 ( 26.943 -8.026 0.000) 28.113 2.718 ( 2.042 -5.398 0.000) 5.771 2.792 ( -11.033 1.161 0.000) 11.094 3.014 ( 11.270 8.210 0.000) 13.943 3.189 ( -3.219 -7.915 0.000) 8.545 3.399 ( -2.827 -5.202 0.000) 5.920 3.409 ( -6.399 -6.203 0.000) 8.912 3.641 ( -1.324 -0.863 0.000) 1.580 3.694 ( 2.592 5.492 0.000) 6.073 3.959 ( -5.873 -7.743 0.000) 9.718 4.084 ( -16.649 -3.653 0.000) 17.045 4.909 ( 1.365 7.570 0.000) 7.692 4.972 ( 0.503 18.523 0.000) 18.529 5.546 ( 6.486 10.604 0.000) 12.431 5.993 ( 22.593 -1.183 0.000) 22.624 6.116 ( 17.335 4.704 0.000) 17.962 6.137 ( 23.772 1.611 0.000) 23.827 6.785 ( -14.692 -4.292 0.000) 15.306 7.213 ( -5.256 7.396 0.000) 9.073 7.220 ( -9.777 -7.737 0.000) 12.468 7.391 ( -13.532 -1.350 0.000) 13.599 7.647 ( -9.228 2.255 0.000) 9.499 7.767 ( 3.323 -1.648 0.000) 3.709 7.775 ( -15.270 2.444 0.000) 15.464 8.138 ( -5.655 -2.580 0.000) 6.216 8.221 ( 1.993 -3.682 0.000) 4.187 8.575 ( -10.013 -8.534 0.000) 13.156 9.008 ( 11.007 5.821 0.000) 12.451 9.509 ( -3.285 -3.708 0.000) 4.954 9.684 ( -1.278 -1.300 0.000) 1.823 9.697 ( -1.992 3.099 0.000) 3.684 10.073 ( 0.034 -1.066 0.000) 1.067 10.274 ( -5.990 -0.624 0.000) 6.022 10.726 ( 3.445 19.305 0.000) 19.610 10.774 ( 2.560 -4.792 0.000) 5.433 11.100 ( -8.027 13.349 0.000) 15.577 11.166 ( -2.284 -18.010 0.000) 18.155 11.964 ( 9.156 14.908 0.000) 17.495 12.611 ( 5.075 11.858 0.000) 12.899 12.757 ( 10.764 -6.040 0.000) 12.343 12.918 ( 18.122 0.329 0.000) 18.125 13.107 ( 12.362 -12.224 0.000) 17.386 13.450 ( 33.579 6.538 0.000) 34.210 13.836 ( -7.160 -2.882 0.000) 7.718 14.118 ( -10.907 4.862 0.000) 11.942 14.760 ( -8.324 -7.320 0.000) 11.085 15.073 ( 6.479 1.973 0.000) 6.773 15.408 ( -18.349 5.210 0.000) 19.074 15.653 ( 5.423 3.147 0.000) 6.271 15.770 ( 2.054 6.519 0.000) 6.835 16.389 ( 3.660 -23.140 0.000) 23.428 16.465 ( 2.214 -6.136 0.000) 6.523 16.611 ( -0.693 -11.542 0.000) 11.562 16.647 ( -20.343 -6.568 0.000) 21.377 16.676 ( -0.822 -13.095 0.000) 13.121 18.931 ( 11.965 2.863 0.000) 12.302 19.016 ( -0.077 12.161 0.000) 12.162 19.035 ( 0.257 6.745 0.000) 6.750 19.498 ( -5.538 1.834 0.000) 5.834 ======================= Grid point 13 (10/120) ======================= q-point: ( 0.44 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( 17.732 -0.499 0.000) 17.739 2.396 ( 3.847 -9.625 0.000) 10.365 2.597 ( -0.404 0.775 0.000) 0.874 2.719 ( -3.072 -4.107 0.000) 5.129 3.101 ( -0.709 -4.789 0.000) 4.841 3.189 ( -9.320 -5.414 0.000) 10.779 3.214 ( 8.425 4.550 0.000) 9.575 3.379 ( -5.813 -0.984 0.000) 5.895 3.638 ( 1.904 -11.520 0.000) 11.676 3.701 ( -3.007 -12.137 0.000) 12.504 3.852 ( -4.949 -1.247 0.000) 5.103 3.859 ( -3.721 -0.865 0.000) 3.820 4.969 ( 2.162 20.188 0.000) 20.304 4.980 ( 0.327 22.953 0.000) 22.956 5.836 ( 22.300 6.464 0.000) 23.217 6.305 ( -16.376 4.000 0.000) 16.858 6.458 ( 20.912 -1.157 0.000) 20.944 6.591 ( 15.433 -0.558 0.000) 15.444 6.593 ( 20.138 1.733 0.000) 20.212 6.903 ( -18.515 -2.895 0.000) 18.740 7.015 ( -14.947 1.880 0.000) 15.065 7.036 ( -21.299 -1.417 0.000) 21.346 7.544 ( -1.758 3.883 0.000) 4.262 7.565 ( -4.872 5.224 0.000) 7.143 7.865 ( 6.099 -4.849 0.000) 7.792 8.001 ( -7.298 -4.874 0.000) 8.775 8.307 ( 5.549 -5.470 0.000) 7.792 8.422 ( -6.056 -7.378 0.000) 9.545 9.225 ( 10.199 1.872 0.000) 10.369 9.403 ( -7.332 -1.828 0.000) 7.556 9.660 ( -0.893 0.788 0.000) 1.191 9.660 ( -1.087 2.820 0.000) 3.022 10.096 ( 2.330 0.868 0.000) 2.486 10.166 ( -4.621 0.861 0.000) 4.701 10.811 ( 4.929 16.311 0.000) 17.039 10.855 ( 4.339 -2.960 0.000) 5.253 10.959 ( -4.849 11.554 0.000) 12.530 11.035 ( -8.159 -9.165 0.000) 12.270 12.252 ( 16.727 9.163 0.000) 19.072 12.546 ( -10.713 7.743 0.000) 13.218 12.957 ( 8.369 -6.812 0.000) 10.791 13.065 ( -1.446 -6.351 0.000) 6.514 13.361 ( 14.339 -7.169 0.000) 16.031 13.643 ( -13.070 -7.162 0.000) 14.904 14.104 ( 9.915 8.395 0.000) 12.991 14.183 ( 32.243 3.634 0.000) 32.447 14.451 ( -12.998 7.434 0.000) 14.973 14.913 ( -30.222 7.483 0.000) 31.134 15.489 ( 28.187 -5.266 0.000) 28.675 15.745 ( 3.443 3.145 0.000) 4.663 15.789 ( -0.413 3.670 0.000) 3.693 16.081 ( -28.629 -6.443 0.000) 29.345 16.485 ( 4.490 -24.266 0.000) 24.678 16.568 ( -3.423 -20.866 0.000) 21.145 16.586 ( 3.746 -4.374 0.000) 5.759 16.647 ( -2.170 -5.305 0.000) 5.732 19.015 ( 0.026 11.203 0.000) 11.203 19.017 ( -0.068 9.195 0.000) 9.196 19.177 ( 10.442 2.821 0.000) 10.817 19.363 ( -8.030 2.259 0.000) 8.341 ======================= Grid point 18 (11/120) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( 0.000 30.337 0.000) 30.337 1.380 ( 0.000 34.367 0.000) 34.367 2.108 ( 0.000 47.821 0.000) 47.821 2.519 ( 0.000 -10.302 0.000) 10.302 2.974 ( 0.000 -17.799 0.000) 17.799 3.217 ( 0.000 -0.264 0.000) 0.264 3.279 ( 0.000 3.546 0.000) 3.546 3.774 ( 0.000 5.058 0.000) 5.058 3.815 ( 0.000 -1.526 0.000) 1.526 3.964 ( 0.000 -10.333 0.000) 10.333 4.293 ( 0.000 -10.161 0.000) 10.161 4.614 ( 0.000 -13.541 0.000) 13.541 4.883 ( 0.000 9.059 0.000) 9.059 4.974 ( 0.000 6.302 0.000) 6.302 5.176 ( 0.000 -1.491 0.000) 1.491 5.438 ( 0.000 -6.448 0.000) 6.448 5.887 ( 0.000 16.342 0.000) 16.342 5.979 ( 0.000 10.471 0.000) 10.471 6.713 ( 0.000 -16.683 0.000) 16.683 6.927 ( 0.000 -14.533 0.000) 14.533 7.421 ( 0.000 11.369 0.000) 11.369 7.716 ( 0.000 2.802 0.000) 2.802 7.899 ( 0.000 -3.954 0.000) 3.954 8.095 ( 0.000 -8.361 0.000) 8.361 8.281 ( 0.000 3.739 0.000) 3.739 8.436 ( 0.000 -1.969 0.000) 1.969 8.591 ( 0.000 3.906 0.000) 3.906 9.190 ( 0.000 -13.554 0.000) 13.554 9.223 ( 0.000 -0.185 0.000) 0.185 9.331 ( 0.000 -2.499 0.000) 2.499 9.381 ( 0.000 3.980 0.000) 3.980 9.569 ( 0.000 -2.120 0.000) 2.120 9.781 ( 0.000 1.009 0.000) 1.009 9.947 ( 0.000 -5.358 0.000) 5.358 10.496 ( 0.000 -2.307 0.000) 2.307 10.692 ( 0.000 -6.428 0.000) 6.428 10.969 ( 0.000 18.613 0.000) 18.613 11.567 ( 0.000 -2.017 0.000) 2.017 11.760 ( 0.000 12.634 0.000) 12.634 11.908 ( 0.000 1.866 0.000) 1.866 12.208 ( 0.000 -7.931 0.000) 7.931 12.253 ( 0.000 -0.332 0.000) 0.332 12.578 ( 0.000 36.070 0.000) 36.070 13.585 ( 0.000 8.030 0.000) 8.030 14.360 ( 0.000 -16.685 0.000) 16.685 14.425 ( 0.000 6.685 0.000) 6.685 14.669 ( 0.000 -4.228 0.000) 4.228 15.068 ( 0.000 -36.111 0.000) 36.111 15.505 ( 0.000 3.587 0.000) 3.587 15.586 ( 0.000 11.017 0.000) 11.017 15.969 ( 0.000 -7.420 0.000) 7.420 16.022 ( 0.000 -4.229 0.000) 4.229 16.148 ( 0.000 4.802 0.000) 4.802 16.466 ( 0.000 -4.814 0.000) 4.814 16.490 ( 0.000 4.199 0.000) 4.199 17.156 ( 0.000 -11.941 0.000) 11.941 18.462 ( 0.000 6.559 0.000) 6.559 18.864 ( 0.000 -5.528 0.000) 5.528 19.284 ( 0.000 13.831 0.000) 13.831 19.665 ( 0.000 -0.112 0.000) 0.112 ======================= Grid point 19 (12/120) ======================= q-point: ( 0.11 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( 10.023 26.180 0.000) 28.033 1.346 ( 2.463 31.298 0.000) 31.395 2.464 ( 28.051 36.397 0.000) 45.952 2.521 ( 0.267 -10.052 0.000) 10.055 2.934 ( -3.464 -17.727 0.000) 18.062 3.166 ( -5.015 -0.172 0.000) 5.018 3.263 ( -1.216 1.104 0.000) 1.643 3.708 ( -7.705 -7.181 0.000) 10.533 3.803 ( -0.035 9.835 0.000) 9.835 3.931 ( -2.503 -9.017 0.000) 9.358 4.183 ( -9.600 -0.566 0.000) 9.617 4.532 ( -8.004 -11.780 0.000) 14.242 4.998 ( 7.718 1.825 0.000) 7.930 5.040 ( 6.133 7.694 0.000) 9.839 5.276 ( 9.786 -1.559 0.000) 9.910 5.389 ( -2.498 -6.691 0.000) 7.142 5.898 ( -3.414 17.639 0.000) 17.966 5.913 ( 2.849 15.559 0.000) 15.818 6.811 ( 7.230 -18.332 0.000) 19.706 6.897 ( -2.760 -13.433 0.000) 13.713 7.444 ( 1.908 11.450 0.000) 11.608 7.711 ( -1.239 1.390 0.000) 1.862 7.817 ( -6.689 -3.914 0.000) 7.750 8.098 ( 0.039 -7.706 0.000) 7.706 8.100 ( -11.027 7.408 0.000) 13.284 8.379 ( -6.687 -2.697 0.000) 7.211 8.475 ( -10.814 3.688 0.000) 11.425 8.978 ( -3.052 12.219 0.000) 12.595 8.984 ( -15.370 -10.147 0.000) 18.417 9.466 ( 3.837 0.147 0.000) 3.840 9.599 ( 2.480 -9.174 0.000) 9.504 9.624 ( 4.498 -2.404 0.000) 5.100 9.982 ( 4.828 -2.930 0.000) 5.647 10.165 ( 29.027 -12.682 0.000) 31.677 10.458 ( -3.550 -1.571 0.000) 3.882 10.677 ( -1.325 -6.328 0.000) 6.465 11.013 ( 4.150 20.313 0.000) 20.733 11.700 ( -5.358 14.912 0.000) 15.846 11.755 ( 16.255 -3.606 0.000) 16.650 12.084 ( 17.116 0.667 0.000) 17.129 12.246 ( 4.968 -5.160 0.000) 7.163 12.305 ( 4.850 -2.884 0.000) 5.643 12.662 ( 7.584 33.779 0.000) 34.620 13.399 ( -13.416 13.417 0.000) 18.974 14.281 ( -11.851 1.605 0.000) 11.959 14.375 ( 0.413 -19.445 0.000) 19.449 14.601 ( -7.360 -1.750 0.000) 7.565 15.170 ( 8.779 -32.498 0.000) 33.663 15.527 ( -5.607 9.338 0.000) 10.892 15.533 ( 3.065 4.692 0.000) 5.605 15.986 ( -3.951 3.778 0.000) 5.466 16.039 ( 6.247 -7.576 0.000) 9.820 16.208 ( 4.704 -8.039 0.000) 9.314 16.419 ( -7.095 3.282 0.000) 7.818 16.483 ( 1.781 -4.748 0.000) 5.071 17.080 ( -7.598 -11.874 0.000) 14.097 18.550 ( 8.276 6.345 0.000) 10.428 18.939 ( 5.985 -5.185 0.000) 7.919 19.282 ( -0.178 13.699 0.000) 13.700 19.652 ( -1.314 0.073 0.000) 1.316 ======================= Grid point 20 (13/120) ======================= q-point: ( 0.22 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( 16.552 15.769 0.000) 22.861 1.584 ( 14.878 17.652 0.000) 23.086 2.533 ( 0.983 -10.075 0.000) 10.122 2.859 ( -2.040 -20.862 0.000) 20.962 2.988 ( 9.476 10.564 0.000) 14.191 3.036 ( 1.348 8.820 0.000) 8.922 3.250 ( 0.214 -3.498 0.000) 3.504 3.506 ( -11.467 -8.128 0.000) 14.055 3.779 ( -2.964 8.270 0.000) 8.785 3.906 ( 0.875 -1.686 0.000) 1.899 3.962 ( -11.512 5.694 0.000) 12.843 4.306 ( -14.046 -7.950 0.000) 16.140 5.014 ( -2.664 2.671 0.000) 3.772 5.193 ( 8.397 12.356 0.000) 14.939 5.530 ( 14.227 -4.166 0.000) 14.825 5.553 ( 17.495 -2.008 0.000) 17.610 5.924 ( 6.427 17.903 0.000) 19.021 6.016 ( 7.849 12.767 0.000) 14.987 6.824 ( -4.632 -10.756 0.000) 11.711 6.947 ( 5.988 -17.859 0.000) 18.836 7.473 ( 0.181 12.579 0.000) 12.581 7.630 ( -7.434 0.257 0.000) 7.439 7.693 ( -6.282 -4.294 0.000) 7.609 7.926 ( -6.306 6.547 0.000) 9.090 8.061 ( -6.307 -3.786 0.000) 7.356 8.218 ( -7.634 -3.320 0.000) 8.325 8.223 ( -10.993 0.954 0.000) 11.034 8.644 ( -17.661 -12.170 0.000) 21.448 9.019 ( 5.253 11.973 0.000) 13.075 9.504 ( 0.212 0.082 0.000) 0.227 9.614 ( 0.298 -6.949 0.000) 6.956 9.698 ( 2.126 -2.620 0.000) 3.374 10.058 ( 3.092 1.903 0.000) 3.630 10.373 ( -4.420 0.290 0.000) 4.430 10.634 ( 16.173 -18.551 0.000) 24.611 10.652 ( -0.743 -6.331 0.000) 6.375 11.107 ( 4.415 23.981 0.000) 24.384 11.572 ( -6.891 18.389 0.000) 19.638 12.034 ( 8.671 -1.622 0.000) 8.822 12.431 ( 7.250 -7.763 0.000) 10.622 12.481 ( 21.925 0.023 0.000) 21.925 12.556 ( 23.469 -4.101 0.000) 23.825 12.834 ( 8.109 27.990 0.000) 29.141 13.235 ( 1.128 12.674 0.000) 12.725 14.019 ( -13.484 -2.104 0.000) 13.648 14.397 ( 3.440 -20.540 0.000) 20.826 14.407 ( -10.533 1.946 0.000) 10.712 15.354 ( 8.399 -26.857 0.000) 28.140 15.356 ( -11.148 7.715 0.000) 13.557 15.632 ( 6.514 6.500 0.000) 9.203 15.910 ( -3.098 3.880 0.000) 4.965 16.171 ( 0.088 -1.438 0.000) 1.441 16.221 ( -6.221 -6.609 0.000) 9.077 16.267 ( 0.855 -13.616 0.000) 13.642 16.531 ( 2.526 -4.868 0.000) 5.484 16.849 ( -15.493 -11.758 0.000) 19.449 18.762 ( 12.108 5.718 0.000) 13.391 19.054 ( 5.006 -1.430 0.000) 5.206 19.276 ( -0.473 13.243 0.000) 13.251 19.611 ( -2.898 0.602 0.000) 2.960 ======================= Grid point 21 (14/120) ======================= q-point: ( 0.33 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( 14.866 8.934 0.000) 17.344 1.931 ( 19.596 2.204 0.000) 19.720 2.563 ( 1.933 -10.747 0.000) 10.919 2.770 ( -9.775 -9.023 0.000) 13.303 2.893 ( 0.901 -6.961 0.000) 7.019 3.207 ( 1.809 -0.739 0.000) 1.954 3.269 ( 1.147 -6.804 0.000) 6.900 3.281 ( -10.359 -6.580 0.000) 12.272 3.677 ( -6.853 4.328 0.000) 8.105 3.732 ( -10.739 2.450 0.000) 11.015 3.933 ( -1.347 2.875 0.000) 3.175 4.009 ( -14.175 -4.535 0.000) 14.883 5.117 ( 14.174 14.742 0.000) 20.451 5.350 ( 6.841 19.486 0.000) 20.652 5.759 ( 8.199 8.127 0.000) 11.545 5.954 ( 21.885 -3.229 0.000) 22.122 6.197 ( 20.075 6.230 0.000) 21.020 6.238 ( 14.230 8.082 0.000) 16.365 6.694 ( -8.924 -5.357 0.000) 10.408 7.021 ( -0.546 -13.097 0.000) 13.109 7.393 ( -15.658 0.589 0.000) 15.669 7.395 ( -9.919 11.719 0.000) 15.353 7.539 ( -8.024 -7.786 0.000) 11.181 7.833 ( -11.177 3.573 0.000) 11.735 7.846 ( -1.962 5.716 0.000) 6.043 8.065 ( -9.435 -5.080 0.000) 10.716 8.137 ( -0.028 -4.925 0.000) 4.925 8.349 ( -9.354 -14.642 0.000) 17.375 9.147 ( 6.970 8.371 0.000) 10.893 9.479 ( -2.677 0.556 0.000) 2.735 9.621 ( 0.392 -5.589 0.000) 5.603 9.702 ( -1.372 -2.505 0.000) 2.856 10.112 ( 2.513 5.515 0.000) 6.061 10.292 ( -3.676 2.900 0.000) 4.682 10.661 ( 1.824 -6.989 0.000) 7.224 10.823 ( 3.298 -17.232 0.000) 17.545 11.180 ( 3.086 26.678 0.000) 26.856 11.437 ( -6.399 21.423 0.000) 22.359 12.196 ( 9.894 7.504 0.000) 12.418 12.578 ( 6.959 -12.672 0.000) 14.458 12.824 ( 4.552 -11.633 0.000) 12.492 12.920 ( -0.842 19.517 0.000) 19.535 12.934 ( 19.053 -3.346 0.000) 19.345 13.606 ( 32.959 10.761 0.000) 34.671 13.761 ( -12.259 -5.388 0.000) 13.391 14.248 ( -3.458 9.442 0.000) 10.056 14.555 ( 10.658 -14.484 0.000) 17.982 15.145 ( -6.256 6.185 0.000) 8.797 15.458 ( -1.140 -8.878 0.000) 8.951 15.720 ( -2.919 3.755 0.000) 4.756 15.854 ( -2.914 -3.310 0.000) 4.410 15.943 ( -4.038 -11.952 0.000) 12.616 16.250 ( -2.344 -11.997 0.000) 12.224 16.329 ( 3.423 -8.806 0.000) 9.448 16.470 ( -19.921 -11.503 0.000) 23.004 16.563 ( 0.380 -5.732 0.000) 5.745 19.008 ( 11.853 4.864 0.000) 12.812 19.139 ( 3.694 3.430 0.000) 5.041 19.262 ( -0.988 12.284 0.000) 12.323 19.533 ( -4.914 1.410 0.000) 5.112 ======================= Grid point 22 (15/120) ======================= q-point: ( 0.44 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( 11.166 0.872 0.000) 11.200 2.241 ( 7.207 -5.064 0.000) 8.808 2.591 ( -0.015 -9.517 0.000) 9.517 2.592 ( -4.590 -2.882 0.000) 5.420 2.961 ( 4.378 -7.810 0.000) 8.954 3.088 ( -8.636 -4.390 0.000) 9.688 3.222 ( 2.065 -5.973 0.000) 6.320 3.274 ( -1.455 -8.227 0.000) 8.355 3.547 ( -4.618 1.730 0.000) 4.931 3.556 ( -5.746 0.953 0.000) 5.824 3.813 ( -3.684 -3.139 0.000) 4.839 3.848 ( -5.136 -1.736 0.000) 5.422 5.406 ( 8.983 24.327 0.000) 25.932 5.450 ( 2.576 24.724 0.000) 24.858 5.984 ( 17.114 7.713 0.000) 18.772 6.331 ( -3.497 -5.592 0.000) 6.595 6.455 ( 11.037 5.316 0.000) 12.250 6.626 ( 16.367 3.172 0.000) 16.671 6.638 ( 22.498 2.958 0.000) 22.692 6.836 ( -17.118 -3.522 0.000) 17.476 7.027 ( -20.310 0.335 0.000) 20.313 7.074 ( -20.101 4.857 0.000) 20.680 7.499 ( 4.696 -10.295 0.000) 11.315 7.654 ( -8.835 1.327 0.000) 8.934 7.831 ( 0.283 2.999 0.000) 3.013 7.878 ( -5.802 -5.874 0.000) 8.256 8.181 ( 3.329 -7.278 0.000) 8.003 8.247 ( -3.203 -10.284 0.000) 10.771 9.284 ( 6.511 4.457 0.000) 7.890 9.401 ( -5.001 1.746 0.000) 5.297 9.633 ( 0.951 -3.976 0.000) 4.088 9.663 ( -2.015 -2.768 0.000) 3.424 10.165 ( 2.805 6.717 0.000) 7.279 10.224 ( -3.130 5.510 0.000) 6.337 10.723 ( 4.126 -8.915 0.000) 9.823 10.807 ( -3.544 -12.719 0.000) 13.203 11.241 ( 3.340 26.484 0.000) 26.693 11.323 ( -4.900 24.235 0.000) 24.726 12.444 ( 13.873 8.070 0.000) 16.050 12.658 ( -2.738 -7.710 0.000) 8.181 12.829 ( -3.722 4.657 0.000) 5.962 12.842 ( -1.401 -13.755 0.000) 13.826 13.250 ( 13.540 -5.882 0.000) 14.762 13.512 ( -12.833 -7.326 0.000) 14.777 14.283 ( 25.096 8.044 0.000) 26.354 14.299 ( 7.187 13.104 0.000) 14.945 14.635 ( 3.466 10.470 0.000) 11.029 15.110 ( -28.889 12.843 0.000) 31.615 15.340 ( 24.645 -9.841 0.000) 26.537 15.705 ( 3.138 -18.120 0.000) 18.389 15.787 ( -3.743 -11.204 0.000) 11.813 15.907 ( -26.603 -11.598 0.000) 29.021 16.050 ( 5.409 -8.696 0.000) 10.241 16.174 ( -5.231 -9.748 0.000) 11.063 16.469 ( 4.742 -7.754 0.000) 9.089 16.543 ( -2.422 -6.693 0.000) 7.118 19.186 ( 3.670 7.495 0.000) 8.345 19.234 ( -1.756 10.541 0.000) 10.687 19.243 ( 8.860 3.754 0.000) 9.623 19.411 ( -7.324 2.416 0.000) 7.712 ======================= Grid point 27 (16/120) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 0.000 26.714 0.000) 26.714 1.996 ( 0.000 30.424 0.000) 30.424 2.216 ( 0.000 -20.775 0.000) 20.775 2.510 ( 0.000 -21.464 0.000) 21.464 2.916 ( 0.000 25.183 0.000) 25.183 3.189 ( 0.000 -4.521 0.000) 4.521 3.417 ( 0.000 9.853 0.000) 9.853 3.616 ( 0.000 -10.576 0.000) 10.576 3.854 ( 0.000 1.220 0.000) 1.220 4.041 ( 0.000 -15.157 0.000) 15.157 4.046 ( 0.000 14.831 0.000) 14.831 4.336 ( 0.000 -15.389 0.000) 15.389 5.072 ( 0.000 10.738 0.000) 10.738 5.075 ( 0.000 4.255 0.000) 4.255 5.138 ( 0.000 -2.548 0.000) 2.548 5.277 ( 0.000 -10.260 0.000) 10.260 6.181 ( 0.000 11.009 0.000) 11.009 6.235 ( 0.000 19.723 0.000) 19.723 6.414 ( 0.000 -14.105 0.000) 14.105 6.606 ( 0.000 -18.847 0.000) 18.847 7.660 ( 0.000 13.351 0.000) 13.351 7.770 ( 0.000 2.981 0.000) 2.981 7.830 ( 0.000 -3.361 0.000) 3.361 7.903 ( 0.000 -11.783 0.000) 11.783 8.345 ( 0.000 3.019 0.000) 3.019 8.396 ( 0.000 -2.349 0.000) 2.349 8.713 ( 0.000 9.046 0.000) 9.046 8.928 ( 0.000 -13.272 0.000) 13.272 9.238 ( 0.000 1.691 0.000) 1.691 9.281 ( 0.000 -2.623 0.000) 2.623 9.454 ( 0.000 3.740 0.000) 3.740 9.520 ( 0.000 -3.074 0.000) 3.074 9.810 ( 0.000 2.137 0.000) 2.137 9.864 ( 0.000 -3.567 0.000) 3.567 10.496 ( 0.000 2.255 0.000) 2.255 10.574 ( 0.000 -5.594 0.000) 5.594 11.287 ( 0.000 14.274 0.000) 14.274 11.489 ( 0.000 -6.931 0.000) 6.931 11.956 ( 0.000 3.599 0.000) 3.599 11.997 ( 0.000 11.612 0.000) 11.612 12.058 ( 0.000 -7.155 0.000) 7.155 12.177 ( 0.000 -7.007 0.000) 7.007 13.364 ( 0.000 44.867 0.000) 44.867 13.781 ( 0.000 12.516 0.000) 12.516 14.051 ( 0.000 -15.653 0.000) 15.653 14.224 ( 0.000 -44.069 0.000) 44.069 14.545 ( 0.000 5.720 0.000) 5.720 14.645 ( 0.000 -5.605 0.000) 5.605 15.614 ( 0.000 7.937 0.000) 7.937 15.775 ( 0.000 8.887 0.000) 8.887 15.792 ( 0.000 -10.222 0.000) 10.222 15.921 ( 0.000 -6.507 0.000) 6.507 16.250 ( 0.000 5.846 0.000) 5.846 16.363 ( 0.000 -5.861 0.000) 5.861 16.657 ( 0.000 12.008 0.000) 12.008 16.907 ( 0.000 -13.769 0.000) 13.769 18.599 ( 0.000 7.645 0.000) 7.645 18.742 ( 0.000 -7.202 0.000) 7.202 19.507 ( 0.000 9.295 0.000) 9.295 19.631 ( 0.000 -3.925 0.000) 3.925 ======================= Grid point 28 (17/120) ======================= q-point: ( 0.11 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( 4.783 24.576 0.000) 25.038 1.939 ( -3.159 30.373 0.000) 30.537 2.235 ( 1.762 -19.504 0.000) 19.584 2.472 ( -3.345 -25.262 0.000) 25.482 3.036 ( 8.425 16.051 0.000) 18.127 3.168 ( -2.391 -1.008 0.000) 2.595 3.356 ( -5.310 7.962 0.000) 9.570 3.533 ( -7.665 -10.001 0.000) 12.600 3.887 ( 4.097 6.321 0.000) 7.532 4.034 ( -1.736 13.342 0.000) 13.454 4.086 ( 2.209 -9.942 0.000) 10.185 4.291 ( -4.748 -13.456 0.000) 14.269 5.070 ( 0.766 6.264 0.000) 6.310 5.162 ( 8.311 5.047 0.000) 9.723 5.228 ( -2.227 -9.556 0.000) 9.812 5.235 ( 9.401 -2.864 0.000) 9.828 6.198 ( 2.197 14.718 0.000) 14.881 6.246 ( 1.218 18.827 0.000) 18.867 6.482 ( 5.700 -15.970 0.000) 16.957 6.598 ( -0.701 -17.730 0.000) 17.744 7.684 ( 2.162 13.245 0.000) 13.420 7.733 ( -3.483 1.119 0.000) 3.658 7.761 ( -5.697 -2.018 0.000) 6.044 7.919 ( 1.492 -11.126 0.000) 11.226 8.221 ( -9.254 5.623 0.000) 10.829 8.314 ( -7.677 -4.164 0.000) 8.734 8.580 ( -12.319 7.751 0.000) 14.555 8.767 ( -14.320 -11.563 0.000) 18.405 9.193 ( 0.923 10.916 0.000) 10.955 9.400 ( 4.012 -11.040 0.000) 11.746 9.500 ( 3.097 3.039 0.000) 4.339 9.565 ( 3.653 -3.522 0.000) 5.074 9.965 ( 9.629 0.965 0.000) 9.677 10.016 ( 16.443 -4.558 0.000) 17.063 10.471 ( -2.300 2.897 0.000) 3.699 10.557 ( -1.468 -5.875 0.000) 6.056 11.372 ( 7.676 16.946 0.000) 18.604 11.632 ( 12.349 -10.032 0.000) 15.910 11.976 ( -1.932 13.558 0.000) 13.695 12.100 ( 14.286 1.396 0.000) 14.354 12.150 ( 10.234 -4.131 0.000) 11.037 12.192 ( 1.433 -8.841 0.000) 8.956 13.391 ( 2.189 41.259 0.000) 41.317 13.675 ( -8.638 16.081 0.000) 18.254 14.008 ( -3.540 -18.868 0.000) 19.197 14.109 ( -9.778 -27.629 0.000) 29.308 14.573 ( -3.252 -0.527 0.000) 3.294 14.647 ( 5.505 -13.251 0.000) 14.349 15.663 ( 4.736 8.874 0.000) 10.059 15.709 ( -6.375 9.629 0.000) 11.548 15.854 ( 5.737 -10.747 0.000) 12.182 15.888 ( -3.839 -9.164 0.000) 9.935 16.251 ( 0.485 6.853 0.000) 6.871 16.378 ( 1.624 -6.254 0.000) 6.461 16.581 ( -7.622 12.024 0.000) 14.237 16.832 ( -7.563 -13.783 0.000) 15.721 18.683 ( 7.830 7.443 0.000) 10.803 18.822 ( 7.194 -6.976 0.000) 10.021 19.502 ( -0.513 9.092 0.000) 9.106 19.622 ( -0.926 -3.706 0.000) 3.820 ======================= Grid point 29 (18/120) ======================= q-point: ( 0.22 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( 7.448 19.073 0.000) 20.476 1.944 ( 4.210 24.132 0.000) 24.496 2.280 ( 2.559 -16.287 0.000) 16.487 2.417 ( -1.245 -24.962 0.000) 24.993 3.063 ( -5.870 4.404 0.000) 7.338 3.145 ( -0.384 -2.322 0.000) 2.354 3.245 ( -4.867 3.020 0.000) 5.727 3.350 ( -9.483 -7.558 0.000) 12.127 3.955 ( -6.437 9.870 0.000) 11.784 3.986 ( 1.922 7.196 0.000) 7.448 4.046 ( -5.795 1.411 0.000) 5.964 4.140 ( -10.155 -9.444 0.000) 13.868 5.125 ( 7.731 9.956 0.000) 12.605 5.360 ( 15.727 -12.664 0.000) 20.191 5.386 ( 13.424 7.868 0.000) 15.560 5.497 ( 16.240 -4.166 0.000) 16.766 6.273 ( 5.178 18.081 0.000) 18.808 6.293 ( 3.793 15.783 0.000) 16.233 6.585 ( -0.568 -14.377 0.000) 14.388 6.608 ( 6.446 -17.686 0.000) 18.824 7.626 ( -7.395 -0.076 0.000) 7.395 7.640 ( -7.254 -1.542 0.000) 7.416 7.731 ( 1.886 13.817 0.000) 13.945 7.950 ( 0.929 -8.498 0.000) 8.549 8.042 ( -7.633 5.749 0.000) 9.556 8.142 ( -8.104 -4.702 0.000) 9.370 8.266 ( -17.543 4.211 0.000) 18.041 8.410 ( -20.538 -11.040 0.000) 23.317 9.243 ( 3.324 11.532 0.000) 12.002 9.450 ( 1.730 -10.110 0.000) 10.257 9.542 ( 0.688 3.556 0.000) 3.622 9.624 ( 1.541 -4.659 0.000) 4.907 10.149 ( 7.987 7.486 0.000) 10.947 10.339 ( 13.187 -12.682 0.000) 18.295 10.419 ( -2.432 4.407 0.000) 5.034 10.527 ( -1.218 -6.543 0.000) 6.656 11.546 ( 8.614 21.538 0.000) 23.197 11.888 ( 12.193 -13.665 0.000) 18.314 11.927 ( -2.846 18.090 0.000) 18.313 12.230 ( 2.243 -13.491 0.000) 13.677 12.472 ( 21.082 -0.424 0.000) 21.086 12.485 ( 19.370 -2.298 0.000) 19.506 13.412 ( -1.332 30.810 0.000) 30.839 13.559 ( 1.347 20.522 0.000) 20.566 13.875 ( -12.973 -15.371 0.000) 20.114 13.978 ( 3.128 -22.930 0.000) 23.142 14.492 ( -2.603 8.344 0.000) 8.741 14.802 ( 8.808 -25.651 0.000) 27.121 15.534 ( -10.532 10.960 0.000) 15.200 15.766 ( -7.840 -13.116 0.000) 15.281 15.789 ( 7.383 9.941 0.000) 12.382 15.994 ( 7.522 -11.252 0.000) 13.534 16.271 ( 1.102 7.656 0.000) 7.735 16.349 ( -15.472 12.096 0.000) 19.639 16.418 ( 1.798 -7.085 0.000) 7.310 16.602 ( -15.464 -13.825 0.000) 20.743 18.880 ( 11.001 6.358 0.000) 12.706 18.990 ( 8.811 -4.941 0.000) 10.102 19.485 ( -1.251 8.431 0.000) 8.524 19.592 ( -2.136 -3.036 0.000) 3.712 ======================= Grid point 30 (19/120) ======================= q-point: ( 0.33 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( 7.239 12.062 0.000) 14.068 2.091 ( 9.293 14.106 0.000) 16.892 2.332 ( 2.590 -13.030 0.000) 13.285 2.429 ( 1.581 -20.293 0.000) 20.354 2.938 ( -4.928 6.490 0.000) 8.149 3.090 ( -3.634 -8.771 0.000) 9.494 3.179 ( -1.951 -2.381 0.000) 3.079 3.185 ( -6.628 -2.987 0.000) 7.270 3.785 ( -9.782 6.508 0.000) 11.750 3.843 ( -10.558 7.012 0.000) 12.675 3.907 ( -11.973 -6.138 0.000) 13.454 3.942 ( -7.577 -2.671 0.000) 8.034 5.447 ( 21.861 18.493 0.000) 28.634 5.666 ( 13.411 13.362 0.000) 18.932 5.737 ( 18.850 -10.077 0.000) 21.374 5.858 ( 18.816 -7.275 0.000) 20.173 6.409 ( 8.140 9.453 0.000) 12.475 6.418 ( 10.291 15.792 0.000) 18.849 6.574 ( -0.422 -7.553 0.000) 7.565 6.733 ( 5.825 -16.624 0.000) 17.615 7.402 ( -15.261 0.598 0.000) 15.272 7.433 ( -12.905 -3.224 0.000) 13.301 7.654 ( -15.068 15.258 0.000) 21.444 7.899 ( -4.161 -1.184 0.000) 4.326 7.945 ( -20.253 -4.277 0.000) 20.700 7.946 ( -2.156 4.998 0.000) 5.443 8.041 ( -1.614 -5.092 0.000) 5.341 8.069 ( -3.451 -12.362 0.000) 12.834 9.314 ( 3.724 9.114 0.000) 9.846 9.483 ( 1.773 -8.480 0.000) 8.664 9.526 ( -2.099 4.172 0.000) 4.670 9.621 ( -1.611 -5.332 0.000) 5.571 10.273 ( 4.491 11.054 0.000) 11.931 10.383 ( -1.226 6.382 0.000) 6.499 10.518 ( 5.027 -14.688 0.000) 15.524 10.519 ( 0.516 -7.690 0.000) 7.707 11.693 ( 5.757 26.252 0.000) 26.876 11.869 ( -2.717 23.116 0.000) 23.275 12.120 ( 10.652 -16.431 0.000) 19.582 12.276 ( 2.195 -19.127 0.000) 19.252 12.733 ( 5.655 3.554 0.000) 6.679 12.847 ( 14.527 -6.218 0.000) 15.801 13.304 ( -9.404 19.417 0.000) 21.575 13.605 ( -13.768 -11.848 0.000) 18.164 13.872 ( 28.703 17.097 0.000) 33.409 14.226 ( 22.032 -19.245 0.000) 29.254 14.510 ( 4.460 19.265 0.000) 19.774 14.986 ( 9.371 -29.823 0.000) 31.261 15.316 ( -10.404 11.928 0.000) 15.828 15.594 ( -8.992 -17.086 0.000) 19.308 15.885 ( -11.884 11.671 0.000) 16.657 15.986 ( -5.120 7.047 0.000) 8.710 16.146 ( -0.843 -8.939 0.000) 8.979 16.236 ( -14.637 -12.315 0.000) 19.129 16.276 ( -0.945 7.965 0.000) 8.020 16.434 ( -0.471 -7.887 0.000) 7.901 19.099 ( 10.461 4.349 0.000) 11.329 19.157 ( 7.641 -1.371 0.000) 7.763 19.449 ( -2.384 7.194 0.000) 7.578 19.533 ( -3.812 -1.891 0.000) 4.255 ======================= Grid point 31 (20/120) ======================= q-point: ( 0.44 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.216 ( 4.967 5.974 0.000) 7.770 2.243 ( 3.757 5.623 0.000) 6.762 2.384 ( 2.492 -11.085 0.000) 11.361 2.429 ( -1.863 -12.239 0.000) 12.380 2.929 ( 4.417 4.367 0.000) 6.212 3.060 ( -6.776 1.690 0.000) 6.984 3.064 ( 2.045 -8.742 0.000) 8.978 3.137 ( -3.303 -5.937 0.000) 6.794 3.626 ( -4.124 5.532 0.000) 6.900 3.658 ( -6.682 7.071 0.000) 9.729 3.732 ( -3.526 -5.263 0.000) 6.335 3.780 ( -6.889 -5.326 0.000) 8.708 5.829 ( 11.492 18.556 0.000) 21.826 5.868 ( 5.490 18.783 0.000) 19.569 6.046 ( 12.580 -3.404 0.000) 13.033 6.157 ( 6.248 -12.045 0.000) 13.569 6.582 ( 7.129 6.247 0.000) 9.479 6.656 ( 13.064 -1.025 0.000) 13.105 6.707 ( 15.280 4.200 0.000) 15.847 6.778 ( -4.069 -2.993 0.000) 5.051 7.066 ( -15.278 5.032 0.000) 16.085 7.229 ( -22.838 11.949 0.000) 25.775 7.247 ( 0.574 -13.422 0.000) 13.434 7.497 ( -20.248 -14.580 0.000) 24.951 7.906 ( 1.188 6.588 0.000) 6.695 7.925 ( -0.673 5.880 0.000) 5.919 8.045 ( 1.029 -6.865 0.000) 6.942 8.059 ( -0.158 -9.203 0.000) 9.205 9.391 ( 3.876 6.639 0.000) 7.688 9.467 ( -3.577 4.967 0.000) 6.121 9.523 ( 2.267 -6.959 0.000) 7.319 9.574 ( -2.693 -5.860 0.000) 6.449 10.336 ( 2.061 10.887 0.000) 11.080 10.364 ( -0.906 8.770 0.000) 8.816 10.542 ( 1.499 -9.807 0.000) 9.921 10.562 ( 0.007 -12.733 0.000) 12.733 11.775 ( 2.778 28.616 0.000) 28.751 11.821 ( -2.159 27.115 0.000) 27.201 12.279 ( 4.492 -23.008 0.000) 23.442 12.309 ( 0.725 -23.546 0.000) 23.557 12.849 ( 8.360 12.084 0.000) 14.693 13.071 ( -12.621 14.991 0.000) 19.596 13.088 ( 11.321 -11.364 0.000) 16.041 13.333 ( -13.136 -11.919 0.000) 17.737 14.507 ( 26.891 14.938 0.000) 30.762 14.633 ( 5.847 22.674 0.000) 23.416 14.741 ( 25.133 -4.177 0.000) 25.477 15.151 ( 3.179 -31.018 0.000) 31.181 15.204 ( 4.262 0.862 0.000) 4.348 15.380 ( -25.698 14.728 0.000) 29.619 15.421 ( -7.185 -19.008 0.000) 20.321 15.659 ( -26.886 -14.316 0.000) 30.460 16.124 ( 6.036 8.790 0.000) 10.663 16.227 ( -3.945 8.344 0.000) 9.229 16.303 ( 5.684 -9.537 0.000) 11.102 16.395 ( -3.353 -8.689 0.000) 9.314 19.284 ( 7.047 2.858 0.000) 7.605 19.297 ( 7.142 1.376 0.000) 7.273 19.386 ( -3.970 5.252 0.000) 6.583 19.436 ( -5.953 -0.282 0.000) 5.959 ======================= Grid point 63 (21/120) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.559 ( 0.000 0.000 29.090) 29.090 0.628 ( 0.000 0.000 32.460) 32.460 1.125 ( 0.000 0.000 57.824) 57.824 2.652 ( 0.000 0.000 5.310) 5.310 3.168 ( 0.000 0.000 -10.189) 10.189 3.262 ( 0.000 0.000 -2.044) 2.044 3.344 ( 0.000 0.000 -0.986) 0.986 3.551 ( 0.000 0.000 0.235) 0.235 3.903 ( 0.000 0.000 -6.512) 6.512 4.182 ( 0.000 0.000 -9.812) 9.812 4.191 ( 0.000 0.000 -21.675) 21.675 4.731 ( 0.000 0.000 4.673) 4.673 4.891 ( 0.000 0.000 -3.589) 3.589 4.919 ( 0.000 0.000 8.774) 8.774 5.099 ( 0.000 0.000 3.592) 3.592 5.525 ( 0.000 0.000 -1.861) 1.861 5.644 ( 0.000 0.000 9.696) 9.696 5.657 ( 0.000 0.000 10.551) 10.551 7.132 ( 0.000 0.000 -4.936) 4.936 7.155 ( 0.000 0.000 3.584) 3.584 7.586 ( 0.000 0.000 -0.163) 0.163 7.601 ( 0.000 0.000 -0.201) 0.201 7.753 ( 0.000 0.000 10.583) 10.583 7.910 ( 0.000 0.000 -11.443) 11.443 8.409 ( 0.000 0.000 -7.990) 7.990 8.471 ( 0.000 0.000 -4.083) 4.083 8.519 ( 0.000 0.000 -3.370) 3.370 9.133 ( 0.000 0.000 -6.406) 6.406 9.317 ( 0.000 0.000 -6.330) 6.330 9.416 ( 0.000 0.000 6.769) 6.769 9.582 ( 0.000 0.000 -2.818) 2.818 9.616 ( 0.000 0.000 -8.381) 8.381 10.115 ( 0.000 0.000 -11.438) 11.438 10.305 ( 0.000 0.000 20.659) 20.659 10.406 ( 0.000 0.000 7.593) 7.593 10.946 ( 0.000 0.000 8.312) 8.312 11.071 ( 0.000 0.000 0.991) 0.991 11.091 ( 0.000 0.000 -5.703) 5.703 11.508 ( 0.000 0.000 2.981) 2.981 11.684 ( 0.000 0.000 7.611) 7.611 11.747 ( 0.000 0.000 5.808) 5.808 11.967 ( 0.000 0.000 11.625) 11.625 12.382 ( 0.000 0.000 1.141) 1.141 13.343 ( 0.000 0.000 -10.123) 10.123 14.162 ( 0.000 0.000 -10.177) 10.177 14.503 ( 0.000 0.000 -20.585) 20.585 14.671 ( 0.000 0.000 -12.554) 12.554 15.471 ( 0.000 0.000 17.249) 17.249 15.618 ( 0.000 0.000 -13.167) 13.167 15.679 ( 0.000 0.000 -2.592) 2.592 16.074 ( 0.000 0.000 3.913) 3.913 16.336 ( 0.000 0.000 16.770) 16.770 16.497 ( 0.000 0.000 -6.910) 6.910 16.567 ( 0.000 0.000 -5.635) 5.635 16.971 ( 0.000 0.000 -2.631) 2.631 17.014 ( 0.000 0.000 0.951) 0.951 18.471 ( 0.000 0.000 13.708) 13.708 18.880 ( 0.000 0.000 -0.222) 0.222 18.911 ( 0.000 0.000 -0.262) 0.262 19.637 ( 0.000 0.000 -0.296) 0.296 ======================= Grid point 64 (22/120) ======================= q-point: ( 0.11 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( 21.279 0.000 19.083) 28.582 0.977 ( 28.179 0.000 19.893) 34.494 1.603 ( 39.466 0.000 38.616) 55.215 2.681 ( 2.673 0.000 4.948) 5.624 3.122 ( -4.990 0.000 -5.226) 7.225 3.253 ( 0.856 0.000 -8.338) 8.382 3.357 ( 0.327 0.000 -0.035) 0.329 3.548 ( 1.293 0.000 -0.909) 1.580 3.814 ( -8.414 0.000 -7.409) 11.211 4.010 ( -15.501 0.000 -10.017) 18.456 4.150 ( -2.747 0.000 -9.750) 10.130 4.767 ( 3.672 0.000 -1.723) 4.057 4.786 ( -10.300 0.000 -2.763) 10.665 4.938 ( -0.193 0.000 2.937) 2.943 5.191 ( 8.353 0.000 1.102) 8.425 5.346 ( -5.183 0.000 1.647) 5.438 5.707 ( 2.131 0.000 13.403) 13.572 5.758 ( 10.272 0.000 14.185) 17.514 7.137 ( 0.301 0.000 -4.039) 4.051 7.258 ( 5.294 0.000 3.798) 6.516 7.509 ( -5.015 0.000 1.201) 5.156 7.569 ( -2.291 0.000 0.998) 2.499 7.737 ( -3.450 0.000 4.802) 5.913 7.850 ( -4.539 0.000 -10.880) 11.789 8.307 ( -8.267 0.000 -4.282) 9.310 8.390 ( -10.091 0.000 -1.775) 10.246 8.536 ( 5.479 0.000 -1.427) 5.661 8.584 ( -14.733 0.000 13.832) 20.208 9.099 ( -11.170 0.000 -3.355) 11.663 9.539 ( 1.444 0.000 -2.282) 2.700 9.620 ( 2.831 0.000 -2.866) 4.028 9.799 ( 2.008 0.000 -0.413) 2.050 10.143 ( 2.519 0.000 -6.513) 6.983 10.430 ( 2.296 0.000 7.429) 7.776 10.528 ( 2.507 0.000 -1.144) 2.756 10.845 ( -6.696 0.000 4.748) 8.209 11.143 ( 7.307 0.000 0.857) 7.357 11.419 ( -8.153 0.000 9.392) 12.437 11.512 ( 19.795 0.000 -26.588) 33.148 11.818 ( 10.771 0.000 -4.815) 11.798 11.933 ( 22.455 0.000 7.049) 23.535 12.239 ( 22.052 0.000 15.149) 26.754 12.386 ( 2.298 0.000 -0.227) 2.309 13.240 ( -3.561 0.000 6.116) 7.077 14.090 ( -6.765 0.000 -9.638) 11.776 14.472 ( -4.396 0.000 -14.764) 15.405 14.623 ( -3.357 0.000 -15.988) 16.336 15.392 ( -15.567 0.000 -15.890) 22.245 15.431 ( -0.566 0.000 11.043) 11.057 15.778 ( 2.847 0.000 0.908) 2.988 16.030 ( -7.259 0.000 26.951) 27.911 16.226 ( 5.551 0.000 7.281) 9.156 16.525 ( 2.627 0.000 -5.071) 5.711 16.578 ( 1.006 0.000 -4.229) 4.347 16.957 ( -1.239 0.000 -2.323) 2.633 17.203 ( 2.766 0.000 -8.169) 8.624 18.536 ( 6.314 0.000 11.186) 12.845 18.871 ( -0.538 0.000 -1.160) 1.279 18.921 ( -0.115 0.000 -5.232) 5.234 19.619 ( -1.836 0.000 -0.451) 1.891 ======================= Grid point 65 (23/120) ======================= q-point: ( 0.22 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( 24.198 0.000 10.301) 26.300 1.587 ( 30.907 0.000 10.395) 32.608 2.419 ( 36.807 0.000 21.571) 42.662 2.746 ( 3.314 0.000 3.899) 5.118 2.993 ( -7.425 0.000 -2.746) 7.916 3.257 ( -0.317 0.000 -9.656) 9.661 3.417 ( 6.467 0.000 -3.745) 7.473 3.578 ( -15.023 0.000 -6.379) 16.321 3.600 ( 3.634 0.000 0.294) 3.646 3.685 ( -14.648 0.000 -3.179) 14.989 4.077 ( -4.469 0.000 -9.816) 10.785 4.503 ( -16.847 0.000 -0.688) 16.861 4.830 ( 1.238 0.000 0.083) 1.241 4.899 ( -3.258 0.000 -0.110) 3.260 5.315 ( 0.143 0.000 -5.464) 5.466 5.409 ( 13.807 0.000 -10.162) 17.144 5.808 ( 9.766 0.000 15.065) 17.954 6.052 ( 18.045 0.000 18.095) 25.555 7.136 ( -0.614 0.000 -3.014) 3.076 7.203 ( -10.785 0.000 8.992) 14.042 7.513 ( 4.020 0.000 -4.328) 5.907 7.526 ( -2.423 0.000 -1.575) 2.890 7.563 ( -13.517 0.000 -1.346) 13.584 7.746 ( -5.830 0.000 -10.553) 12.057 8.150 ( -12.841 0.000 4.216) 13.516 8.187 ( -2.796 0.000 -4.379) 5.196 8.403 ( -6.978 0.000 8.354) 10.885 8.714 ( 11.575 0.000 1.258) 11.643 8.849 ( -12.896 0.000 -3.630) 13.397 9.540 ( -0.716 0.000 -5.910) 5.953 9.652 ( -0.331 0.000 -2.155) 2.180 9.809 ( -0.280 0.000 5.013) 5.021 10.178 ( 0.337 0.000 1.487) 1.525 10.454 ( -7.558 0.000 1.703) 7.747 10.494 ( 4.086 0.000 7.252) 8.324 10.757 ( -1.230 0.000 -2.005) 2.353 11.225 ( -8.215 0.000 8.825) 12.057 11.385 ( 14.223 0.000 1.268) 14.279 11.589 ( -7.859 0.000 -12.364) 14.650 12.122 ( 17.431 0.000 -8.151) 19.242 12.453 ( 26.726 0.000 5.674) 27.321 12.550 ( 13.146 0.000 -4.447) 13.878 12.782 ( 31.310 0.000 15.777) 35.060 13.271 ( 5.061 0.000 9.789) 11.020 13.922 ( -8.693 0.000 -8.364) 12.064 14.283 ( -13.556 0.000 -7.590) 15.536 14.621 ( 4.073 0.000 -19.647) 20.065 15.030 ( -20.146 0.000 -18.915) 27.634 15.481 ( 4.840 0.000 3.609) 6.038 15.748 ( -6.569 0.000 6.199) 9.032 15.943 ( -1.844 0.000 23.223) 23.296 16.379 ( 7.767 0.000 2.532) 8.170 16.587 ( 3.189 0.000 -2.662) 4.154 16.607 ( 2.037 0.000 -1.643) 2.617 16.926 ( -1.827 0.000 -1.538) 2.388 17.101 ( -11.036 0.000 0.620) 11.053 18.707 ( 10.197 0.000 6.006) 11.834 18.859 ( -0.643 0.000 -2.765) 2.838 18.903 ( -1.411 0.000 -6.748) 6.894 19.563 ( -3.789 0.000 -0.854) 3.884 ======================= Grid point 66 (24/120) ======================= q-point: ( 0.33 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( 22.823 0.000 5.432) 23.461 2.169 ( 26.282 0.000 5.246) 26.801 2.777 ( -7.746 0.000 1.717) 7.934 2.791 ( 0.741 0.000 2.246) 2.365 2.968 ( 10.845 0.000 7.007) 12.911 3.282 ( -12.464 0.000 -2.056) 12.632 3.293 ( 3.862 0.000 -13.649) 14.185 3.433 ( -11.100 0.000 -3.951) 11.782 3.533 ( 2.244 0.000 -4.448) 4.982 3.755 ( 12.527 0.000 5.627) 13.733 3.969 ( -6.967 0.000 -9.438) 11.732 4.175 ( -13.439 0.000 3.567) 13.905 4.800 ( -3.405 0.000 3.474) 4.864 4.829 ( -3.468 0.000 -0.435) 3.496 5.379 ( 8.792 0.000 -5.209) 10.219 5.751 ( 20.032 0.000 -16.468) 25.932 6.100 ( 17.882 0.000 8.459) 19.781 6.438 ( 19.486 0.000 17.043) 25.888 6.886 ( -20.054 0.000 3.409) 20.342 7.067 ( -10.294 0.000 -10.040) 14.380 7.243 ( -13.116 0.000 -2.308) 13.318 7.432 ( -14.129 0.000 -3.461) 14.547 7.496 ( -0.953 0.000 1.748) 1.991 7.739 ( 6.395 0.000 -5.446) 8.399 7.892 ( -12.812 0.000 9.426) 15.905 8.206 ( 4.006 0.000 -4.707) 6.181 8.258 ( -7.742 0.000 6.976) 10.421 8.618 ( -9.502 0.000 -3.333) 10.069 8.968 ( 13.215 0.000 2.141) 13.388 9.538 ( 1.026 0.000 -5.411) 5.508 9.595 ( -5.347 0.000 -0.674) 5.390 9.781 ( -2.915 0.000 6.414) 7.045 10.157 ( -1.777 0.000 4.898) 5.210 10.295 ( -7.175 0.000 0.608) 7.201 10.592 ( 5.710 0.000 7.358) 9.313 10.792 ( 4.386 0.000 -2.012) 4.825 11.048 ( -8.833 0.000 8.960) 12.582 11.360 ( -12.876 0.000 -4.228) 13.552 11.740 ( 19.854 0.000 -0.584) 19.863 12.424 ( 10.033 0.000 -6.629) 12.025 12.827 ( 14.345 0.000 0.919) 14.375 12.932 ( 18.943 0.000 -0.223) 18.944 13.373 ( 3.792 0.000 9.285) 10.030 13.415 ( 26.816 0.000 4.840) 27.249 13.852 ( 7.960 0.000 -0.404) 7.971 13.976 ( -16.316 0.000 -7.203) 17.835 14.601 ( -22.331 0.000 -19.200) 29.450 14.820 ( 16.288 0.000 -18.619) 24.738 15.496 ( -18.675 0.000 9.786) 21.084 15.581 ( 3.507 0.000 -2.638) 4.388 15.938 ( 1.615 0.000 18.127) 18.198 16.501 ( 2.996 0.000 -0.213) 3.003 16.635 ( 1.027 0.000 1.105) 1.508 16.665 ( 3.686 0.000 -0.030) 3.687 16.819 ( -14.705 0.000 7.716) 16.607 16.883 ( -2.524 0.000 -0.507) 2.575 18.847 ( -0.509 0.000 -4.188) 4.219 18.873 ( -1.429 0.000 -6.502) 6.657 18.925 ( 11.185 0.000 1.644) 11.305 19.466 ( -5.916 0.000 -1.314) 6.060 ======================= Grid point 67 (25/120) ======================= q-point: ( 0.44 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.195 ( 19.436 0.000 3.093) 19.681 2.538 ( -14.685 0.000 1.794) 14.794 2.597 ( 15.148 0.000 1.896) 15.266 2.766 ( -3.516 0.000 0.916) 3.633 3.134 ( -1.186 0.000 -1.173) 1.668 3.139 ( 7.936 0.000 -1.578) 8.091 3.231 ( -8.883 0.000 -2.432) 9.210 3.294 ( -5.690 0.000 -7.963) 9.787 3.592 ( 6.102 0.000 -9.658) 11.424 3.764 ( -10.317 0.000 -8.765) 13.538 3.961 ( 5.367 0.000 8.303) 9.887 4.032 ( -3.051 0.000 7.747) 8.326 4.746 ( -1.173 0.000 2.782) 3.019 4.763 ( -2.590 0.000 1.888) 3.205 5.729 ( 25.122 0.000 -4.432) 25.510 6.191 ( 23.388 0.000 -17.557) 29.245 6.246 ( -18.970 0.000 -2.361) 19.116 6.654 ( -19.355 0.000 -11.626) 22.578 6.660 ( 13.276 0.000 4.485) 14.013 6.830 ( 12.200 0.000 6.184) 13.677 7.063 ( -21.158 0.000 0.326) 21.160 7.073 ( -8.998 0.000 4.505) 10.063 7.516 ( 3.694 0.000 5.385) 6.531 7.656 ( -10.024 0.000 9.877) 14.072 7.899 ( 8.727 0.000 -1.641) 8.880 8.079 ( -9.146 0.000 1.598) 9.285 8.328 ( 6.739 0.000 -2.547) 7.204 8.462 ( -6.755 0.000 -2.785) 7.307 9.225 ( 12.148 0.000 1.845) 12.287 9.444 ( -9.473 0.000 0.820) 9.509 9.590 ( 4.135 0.000 -1.295) 4.333 9.692 ( -5.456 0.000 3.863) 6.685 10.139 ( 0.534 0.000 3.603) 3.642 10.184 ( -3.905 0.000 1.442) 4.163 10.722 ( 7.163 0.000 7.752) 10.554 10.876 ( -8.220 0.000 8.338) 11.709 10.920 ( 8.147 0.000 -0.498) 8.162 11.114 ( -11.186 0.000 -1.021) 11.233 12.139 ( 18.826 0.000 -1.734) 18.905 12.436 ( -8.887 0.000 -3.324) 9.488 13.088 ( 10.819 0.000 5.827) 12.288 13.185 ( 4.206 0.000 2.900) 5.108 13.432 ( 5.432 0.000 0.754) 5.484 13.657 ( -14.841 0.000 -7.648) 16.695 13.764 ( 16.148 0.000 -15.261) 22.218 14.153 ( -21.630 0.000 -17.882) 28.064 14.365 ( 33.832 0.000 13.808) 36.541 15.012 ( -29.150 0.000 12.438) 31.693 15.223 ( 21.006 0.000 -18.423) 27.941 15.541 ( -8.971 0.000 -13.043) 15.830 16.047 ( 10.019 0.000 18.880) 21.373 16.332 ( -16.812 0.000 13.248) 21.404 16.654 ( 2.121 0.000 2.998) 3.673 16.688 ( -1.317 0.000 1.702) 2.152 16.746 ( 4.123 0.000 0.491) 4.152 16.823 ( -3.480 0.000 0.271) 3.491 18.842 ( 0.032 0.000 -5.215) 5.215 18.850 ( -0.807 0.000 -5.911) 5.966 19.141 ( 10.151 0.000 -0.721) 10.177 19.325 ( -8.149 0.000 -1.466) 8.280 ======================= Grid point 72 (26/120) ======================= q-point: ( 0.00 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.779 ( 0.000 19.526 19.829) 27.829 0.894 ( 0.000 28.338 17.611) 33.365 1.604 ( 0.000 39.111 40.675) 56.428 2.651 ( 0.000 -1.333 4.171) 4.378 3.166 ( 0.000 -0.041 -10.711) 10.711 3.214 ( 0.000 -3.639 -1.733) 4.031 3.249 ( 0.000 -10.061 0.256) 10.064 3.582 ( 0.000 5.007 -2.729) 5.702 3.880 ( 0.000 -3.733 -6.561) 7.548 4.086 ( 0.000 -8.670 -6.427) 10.793 4.193 ( 0.000 -0.244 -19.569) 19.570 4.789 ( 0.000 -8.674 -3.698) 9.430 4.791 ( 0.000 5.007 4.990) 7.069 4.997 ( 0.000 5.658 10.850) 12.237 5.241 ( 0.000 5.273 3.530) 6.345 5.513 ( 0.000 6.418 -13.085) 14.574 5.617 ( 0.000 -2.621 9.478) 9.834 5.721 ( 0.000 6.615 7.851) 10.266 7.036 ( 0.000 -11.148 3.392) 11.653 7.181 ( 0.000 4.296 -5.460) 6.947 7.368 ( 0.000 -12.314 11.732) 17.008 7.708 ( 0.000 -0.695 -15.727) 15.743 7.790 ( 0.000 3.694 11.306) 11.894 7.964 ( 0.000 5.731 -7.556) 9.483 8.396 ( 0.000 -1.200 -7.802) 7.894 8.524 ( 0.000 0.759 -3.111) 3.202 8.528 ( 0.000 1.414 2.257) 2.664 9.139 ( 0.000 0.422 -6.136) 6.150 9.230 ( 0.000 -5.766 -7.779) 9.683 9.422 ( 0.000 1.071 6.382) 6.471 9.467 ( 0.000 -8.970 -2.316) 9.264 9.663 ( 0.000 1.565 -6.843) 7.020 9.986 ( 0.000 -17.244 28.659) 33.447 10.018 ( 0.000 -6.794 -6.390) 9.327 10.556 ( 0.000 10.571 0.966) 10.615 10.648 ( 0.000 -8.152 6.357) 10.338 10.945 ( 0.000 1.343 9.796) 9.888 11.577 ( 0.000 6.809 1.364) 6.944 11.662 ( 0.000 -0.889 5.805) 5.872 11.866 ( 0.000 25.792 -15.671) 30.180 11.987 ( 0.000 2.126 12.394) 12.575 12.030 ( 0.000 24.973 -2.154) 25.066 12.345 ( 0.000 -2.927 2.186) 3.653 13.373 ( 0.000 3.274 -10.452) 10.953 14.130 ( 0.000 -2.167 -11.567) 11.768 14.489 ( 0.000 -1.450 -20.460) 20.511 14.594 ( 0.000 -8.169 -10.522) 13.321 15.345 ( 0.000 -4.845 13.008) 13.881 15.548 ( 0.000 -10.633 -6.628) 12.530 15.780 ( 0.000 6.782 1.700) 6.992 16.008 ( 0.000 -5.884 0.216) 5.888 16.299 ( 0.000 -3.920 11.352) 12.010 16.434 ( 0.000 -18.080 25.993) 31.662 16.446 ( 0.000 -7.499 -1.557) 7.658 16.489 ( 0.000 -2.214 -6.688) 7.045 17.195 ( 0.000 -2.601 -11.081) 11.382 18.499 ( 0.000 2.982 12.827) 13.169 18.945 ( 0.000 0.314 -0.074) 0.323 19.017 ( 0.000 12.618 -0.162) 12.619 19.649 ( 0.000 0.999 -0.359) 1.062 ======================= Grid point 73 (27/120) ======================= q-point: ( 0.11 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( 21.086 9.469 17.301) 28.873 1.051 ( 14.779 20.524 16.508) 30.202 1.995 ( 32.788 32.743 28.188) 54.238 2.662 ( 1.060 -2.636 3.759) 4.712 3.121 ( -5.014 -0.722 -2.963) 5.868 3.190 ( -0.806 -6.012 -8.051) 10.081 3.259 ( 0.565 -8.359 -1.469) 8.506 3.598 ( 1.413 5.382 -2.534) 6.114 3.796 ( -7.711 -3.028 -5.651) 10.028 3.995 ( -10.201 -4.189 -11.414) 15.871 4.102 ( -5.974 -1.771 -6.685) 9.138 4.687 ( -9.812 -8.228 -3.401) 13.249 4.820 ( 3.951 4.443 -2.474) 6.440 5.060 ( 1.839 8.518 5.663) 10.392 5.248 ( 1.359 1.294 0.069) 1.878 5.427 ( -1.863 11.231 -5.119) 12.483 5.658 ( 4.032 -1.992 12.383) 13.175 5.815 ( 9.072 4.854 11.729) 15.603 7.103 ( 3.241 -8.449 0.119) 9.050 7.220 ( 4.519 0.541 -2.161) 5.038 7.306 ( -5.481 -11.215 9.417) 15.637 7.681 ( -2.110 0.327 -12.100) 12.287 7.775 ( -2.747 3.571 7.623) 8.855 7.875 ( -7.430 4.794 -7.246) 11.432 8.282 ( -8.783 -2.579 -3.250) 9.713 8.412 ( -10.297 1.090 -0.786) 10.384 8.512 ( -5.608 -3.412 8.400) 10.661 8.703 ( -4.050 11.905 -1.305) 12.642 9.085 ( -12.508 -2.001 -2.519) 12.915 9.478 ( 1.514 -4.256 -3.084) 5.470 9.629 ( 4.669 -0.604 -1.498) 4.941 9.787 ( 1.567 -1.050 0.647) 1.994 10.050 ( 4.009 -6.848 -2.906) 8.451 10.398 ( 14.678 -13.179 -0.113) 19.727 10.563 ( 3.589 4.239 0.062) 5.555 10.725 ( 10.772 -13.020 5.025) 17.630 10.864 ( -5.872 2.706 7.066) 9.578 11.524 ( -6.298 10.370 7.590) 14.311 11.878 ( 14.765 1.899 5.092) 15.733 11.946 ( 7.042 16.947 -12.944) 22.457 11.998 ( 10.941 12.408 -8.880) 18.775 12.271 ( 13.234 1.149 7.246) 15.131 12.396 ( 9.845 5.258 6.857) 13.099 13.265 ( -5.262 2.999 2.723) 6.641 14.086 ( -5.580 -0.260 -11.667) 12.935 14.457 ( -4.064 -1.578 -15.330) 15.938 14.547 ( -3.652 -8.591 -14.173) 16.971 15.295 ( -6.018 -2.864 -0.197) 6.668 15.498 ( -2.743 -0.429 -4.442) 5.238 15.792 ( 1.038 -0.064 5.839) 5.931 16.052 ( -2.813 0.954 17.173) 17.428 16.145 ( 2.139 -6.154 7.689) 10.078 16.439 ( -0.185 -10.898 -3.922) 11.584 16.504 ( 1.637 -2.806 -6.157) 6.962 16.641 ( 6.989 -19.855 8.390) 22.659 17.182 ( -2.914 -5.314 -7.066) 9.309 18.562 ( 6.091 2.845 10.305) 12.304 18.958 ( 0.707 2.097 -3.606) 4.231 19.014 ( -0.269 12.332 -0.542) 12.347 19.632 ( -1.736 1.106 -0.512) 2.121 ======================= Grid point 74 (28/120) ======================= q-point: ( 0.22 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( 20.286 12.025 10.480) 25.807 1.521 ( 28.013 -2.342 11.463) 30.358 2.678 ( 29.112 21.171 14.490) 38.803 2.691 ( 2.555 -5.035 2.264) 6.084 3.004 ( -6.663 0.612 -0.179) 6.694 3.131 ( -3.558 -11.738 -7.746) 14.506 3.321 ( 4.918 -7.027 -3.177) 9.147 3.577 ( -8.329 -1.954 -3.856) 9.385 3.649 ( -2.097 2.578 -2.270) 4.024 3.743 ( -11.026 7.094 -5.796) 14.335 3.994 ( -5.379 -7.366 -6.489) 11.194 4.422 ( -15.796 -6.675 -1.772) 17.240 4.898 ( 1.385 4.585 -3.766) 6.093 5.028 ( -1.867 12.046 4.588) 13.024 5.314 ( 4.733 0.067 -8.711) 9.914 5.511 ( 9.402 10.056 -8.588) 16.226 5.807 ( 11.481 1.353 14.034) 18.182 6.082 ( 16.935 2.479 16.785) 23.973 7.085 ( -7.034 -6.075 6.296) 11.226 7.195 ( -3.433 -3.832 -3.095) 6.004 7.331 ( 4.545 -5.746 2.373) 7.701 7.597 ( -14.103 4.181 -5.765) 15.799 7.651 ( -1.504 -0.793 -7.293) 7.489 7.746 ( -5.598 3.770 -3.101) 7.428 8.130 ( -7.057 -2.976 -0.638) 7.685 8.195 ( -8.949 1.270 0.764) 9.071 8.372 ( -7.012 -2.689 6.828) 10.150 8.755 ( -4.792 -1.344 -3.195) 5.914 8.861 ( 0.120 5.575 1.891) 5.888 9.486 ( -0.264 -2.830 -4.902) 5.667 9.693 ( 1.414 1.129 -1.410) 2.294 9.792 ( -0.552 -1.155 5.368) 5.518 10.117 ( 2.047 -4.091 3.043) 5.494 10.390 ( -5.778 -3.634 0.776) 6.869 10.659 ( 3.933 3.717 -2.793) 6.090 10.767 ( -2.298 9.761 4.750) 11.096 11.028 ( 12.707 -21.251 -0.866) 24.775 11.363 ( -8.667 12.435 9.479) 17.877 11.893 ( -3.924 16.824 -6.592) 18.491 12.232 ( 17.338 9.597 -9.754) 22.087 12.435 ( 24.144 -1.702 3.647) 24.477 12.521 ( 14.819 -2.438 -5.680) 16.057 12.816 ( 27.514 4.071 17.113) 32.656 13.258 ( 4.131 -0.455 9.455) 10.328 13.925 ( -9.114 0.111 -9.229) 12.971 14.280 ( -12.401 -0.208 -8.307) 14.928 14.534 ( 2.744 -9.528 -17.691) 20.280 15.065 ( -15.170 3.973 -15.109) 21.776 15.519 ( 3.739 3.762 0.493) 5.327 15.780 ( -3.778 1.158 9.210) 10.022 15.977 ( -2.400 3.379 19.704) 20.135 16.272 ( 6.515 -13.036 -0.798) 14.595 16.433 ( 0.489 -12.169 0.051) 12.179 16.540 ( 1.397 -7.207 -5.392) 9.108 16.709 ( 0.909 -16.148 3.738) 16.600 17.042 ( -10.996 -6.330 0.709) 12.708 18.727 ( 9.853 2.575 4.924) 11.312 18.965 ( 0.171 5.323 -5.917) 7.961 19.005 ( -0.614 12.222 -1.485) 12.327 19.578 ( -3.622 1.393 -0.912) 3.986 ======================= Grid point 75 (29/120) ======================= q-point: ( 0.33 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( 20.069 5.697 6.231) 21.772 2.062 ( 24.849 -7.871 6.461) 26.855 2.697 ( -2.278 -5.899 -1.374) 6.471 2.835 ( -7.879 0.204 3.201) 8.507 3.025 ( 4.004 -0.921 -0.534) 4.143 3.142 ( 3.593 -3.574 -5.046) 7.152 3.343 ( -3.554 -4.066 -4.513) 7.038 3.381 ( -8.707 -0.688 -1.551) 8.871 3.591 ( -2.590 2.665 -4.642) 5.946 3.729 ( 4.588 0.278 3.176) 5.588 3.890 ( -4.192 -6.858 -5.901) 9.972 4.105 ( -14.136 -4.650 1.453) 14.952 4.904 ( 2.402 7.534 -0.329) 7.915 5.021 ( -0.194 19.454 4.369) 19.940 5.443 ( 9.656 5.833 -8.673) 14.229 5.791 ( 18.175 4.533 -15.450) 24.281 6.116 ( 18.520 1.896 9.238) 20.783 6.450 ( 18.457 0.965 16.164) 24.553 6.823 ( -17.403 -5.523 1.973) 18.365 7.128 ( -9.758 5.094 -9.624) 14.621 7.218 ( -14.347 -3.123 -1.164) 14.730 7.351 ( -8.308 -1.984 -1.443) 8.662 7.622 ( -3.882 3.608 1.335) 5.465 7.673 ( 1.930 -2.045 -4.785) 5.550 7.937 ( -9.558 2.961 8.937) 13.416 8.155 ( 2.852 -4.904 -3.119) 6.474 8.222 ( -8.273 -3.049 3.947) 9.660 8.537 ( -9.941 -8.042 -3.126) 13.163 9.042 ( 11.160 6.701 3.259) 13.419 9.478 ( -0.655 -2.091 -2.587) 3.390 9.682 ( -2.291 4.411 -1.495) 5.190 9.763 ( -2.465 -1.815 6.314) 7.016 10.128 ( -0.396 -1.768 4.961) 5.282 10.268 ( -5.591 -1.682 -0.467) 5.857 10.737 ( 4.203 -4.591 -2.244) 6.617 10.781 ( 3.415 17.099 5.742) 18.358 11.129 ( -3.192 -11.227 -0.456) 11.681 11.200 ( -7.415 8.436 7.579) 13.550 11.937 ( 10.102 14.472 -2.468) 17.820 12.523 ( 8.810 9.676 -8.083) 15.381 12.759 ( 13.255 -7.207 1.708) 15.184 12.921 ( 18.914 -1.355 -3.817) 19.343 13.236 ( 6.338 -9.612 12.207) 16.780 13.507 ( 21.203 5.753 4.257) 22.378 13.793 ( -1.827 -4.063 -4.304) 6.195 14.051 ( -5.293 6.007 -4.200) 9.042 14.566 ( -8.815 -4.272 -17.331) 19.908 14.868 ( 6.267 5.210 -15.810) 17.787 15.497 ( -13.088 2.280 4.969) 14.184 15.680 ( -1.288 7.521 1.685) 7.814 15.949 ( -0.015 1.148 16.015) 16.057 16.385 ( 5.210 -23.319 -0.343) 23.897 16.461 ( -0.563 -7.302 -0.391) 7.334 16.548 ( 0.107 -13.179 -1.412) 13.254 16.702 ( -1.454 -11.511 2.824) 11.941 16.775 ( -13.484 -5.364 7.516) 16.343 18.919 ( 6.557 4.324 -2.802) 8.339 18.982 ( 1.839 7.826 -4.099) 9.024 18.996 ( 1.932 10.504 -1.261) 10.754 19.485 ( -5.730 1.776 -1.371) 6.154 ======================= Grid point 76 (30/120) ======================= q-point: ( 0.44 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( 16.856 0.303 3.789) 17.279 2.437 ( 3.264 -8.916 4.090) 10.338 2.577 ( 0.541 -1.676 -1.499) 2.312 2.731 ( -5.141 -4.053 0.850) 6.601 3.075 ( 1.055 -5.577 -4.266) 7.100 3.114 ( -3.509 -4.615 -4.941) 7.617 3.249 ( -0.692 3.833 1.259) 4.093 3.315 ( -3.202 0.406 -5.511) 6.386 3.566 ( 2.218 -3.846 -5.694) 7.220 3.677 ( -7.127 -9.020 -3.096) 11.906 3.867 ( 0.586 -6.212 2.535) 6.735 3.919 ( -4.873 -5.435 5.149) 8.933 4.979 ( 2.964 19.010 1.112) 19.272 5.011 ( -0.746 22.701 2.700) 22.873 5.778 ( 23.798 4.898 -5.793) 24.978 6.210 ( 22.375 1.787 -16.916) 28.106 6.284 ( -19.682 3.842 -3.231) 20.312 6.586 ( 12.304 -4.515 2.170) 13.285 6.710 ( -20.270 3.179 -12.344) 23.945 6.827 ( 13.049 -0.311 9.076) 15.897 7.009 ( -13.905 -2.175 2.442) 14.284 7.125 ( -11.416 2.806 5.423) 12.947 7.591 ( 1.068 6.461 5.458) 8.525 7.660 ( -4.725 -0.851 6.123) 7.781 7.880 ( 5.137 -1.391 2.134) 5.734 8.036 ( -9.170 -4.704 2.684) 10.650 8.258 ( 6.055 -6.413 -4.163) 9.753 8.382 ( -6.381 -7.778 -3.407) 10.621 9.260 ( 10.120 3.189 3.406) 11.144 9.426 ( -5.671 -0.529 2.262) 6.129 9.648 ( 0.442 4.146 -0.935) 4.273 9.698 ( -3.578 0.161 3.221) 4.817 10.130 ( 1.125 -0.232 2.884) 3.104 10.177 ( -3.482 -0.039 0.789) 3.571 10.840 ( 5.911 -4.063 0.412) 7.185 10.875 ( 4.932 11.928 5.386) 13.987 11.008 ( -6.056 1.030 2.741) 6.726 11.047 ( -7.544 5.827 4.912) 10.724 12.229 ( 16.414 8.600 -2.357) 18.680 12.508 ( -9.426 7.256 -3.957) 12.536 13.023 ( 11.979 -8.045 6.273) 15.735 13.177 ( 0.495 -2.512 5.895) 6.427 13.288 ( 8.117 -11.797 -4.205) 14.925 13.530 ( -12.035 -7.232 -9.862) 17.158 13.911 ( 12.069 10.307 -12.541) 20.228 14.214 ( -13.717 4.625 -12.599) 19.191 14.438 ( 27.947 7.897 9.866) 30.671 15.052 ( -27.977 4.399 10.449) 30.186 15.230 ( 21.825 0.415 -15.921) 27.018 15.589 ( -11.301 4.429 -12.292) 17.275 16.025 ( 8.233 -2.589 17.488) 19.502 16.267 ( -14.810 -7.795 12.107) 20.656 16.491 ( 5.086 -23.786 0.790) 24.336 16.577 ( -1.785 -17.013 0.506) 17.114 16.616 ( 0.127 -6.162 3.711) 7.195 16.665 ( -2.556 -5.090 1.832) 5.983 18.959 ( 0.677 9.909 -5.695) 11.449 18.973 ( -0.760 11.404 -4.398) 12.247 19.169 ( 9.786 2.725 -0.810) 10.190 19.348 ( -7.958 2.186 -1.532) 8.394 ======================= Grid point 81 (31/120) ======================= q-point: ( 0.00 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( 0.000 27.392 5.519) 27.942 1.475 ( 0.000 31.407 9.613) 32.845 2.368 ( 0.000 37.891 23.432) 44.551 2.536 ( 0.000 -11.853 0.814) 11.881 2.984 ( 0.000 -17.277 0.892) 17.300 3.130 ( 0.000 -2.408 -7.834) 8.196 3.243 ( 0.000 6.609 -3.197) 7.342 3.706 ( 0.000 2.608 -7.660) 8.091 3.803 ( 0.000 1.652 -3.044) 3.464 3.900 ( 0.000 -9.757 -2.956) 10.195 4.155 ( 0.000 -4.583 -13.673) 14.421 4.576 ( 0.000 -13.415 -3.784) 13.939 4.907 ( 0.000 6.958 2.427) 7.369 5.093 ( 0.000 3.502 11.871) 12.377 5.248 ( 0.000 -0.543 6.143) 6.166 5.535 ( 0.000 -6.251 9.551) 11.415 5.763 ( 0.000 15.355 -14.294) 20.978 5.912 ( 0.000 13.215 2.491) 13.448 6.770 ( 0.000 -15.219 5.213) 16.087 7.100 ( 0.000 -16.147 11.816) 20.009 7.290 ( 0.000 6.746 -9.504) 11.655 7.642 ( 0.000 -4.958 -16.300) 17.037 7.885 ( 0.000 6.239 13.267) 14.660 8.074 ( 0.000 4.938 -4.599) 6.748 8.369 ( 0.000 -1.579 -7.158) 7.330 8.466 ( 0.000 -6.606 9.179) 11.308 8.565 ( 0.000 4.152 -2.689) 4.947 9.142 ( 0.000 -6.589 -6.044) 8.941 9.149 ( 0.000 0.803 -5.525) 5.583 9.276 ( 0.000 -8.387 -3.651) 9.147 9.465 ( 0.000 3.404 5.779) 6.707 9.673 ( 0.000 -0.240 -6.934) 6.938 9.783 ( 0.000 -6.073 17.027) 18.078 9.901 ( 0.000 -5.534 -4.592) 7.191 10.555 ( 0.000 -2.442 6.758) 7.186 10.654 ( 0.000 -0.799 0.950) 1.242 11.080 ( 0.000 12.839 7.964) 15.108 11.628 ( 0.000 -2.834 5.163) 5.889 11.731 ( 0.000 8.330 -2.782) 8.783 12.052 ( 0.000 4.919 14.313) 15.134 12.150 ( 0.000 -2.152 -6.661) 7.000 12.223 ( 0.000 3.511 -1.475) 3.808 12.647 ( 0.000 35.264 6.438) 35.847 13.473 ( 0.000 7.346 -11.354) 13.524 14.068 ( 0.000 -6.160 -18.278) 19.288 14.438 ( 0.000 -5.460 -5.419) 7.693 14.444 ( 0.000 -3.712 -19.903) 20.246 15.108 ( 0.000 -33.960 3.726) 34.163 15.361 ( 0.000 5.315 3.077) 6.142 15.896 ( 0.000 -7.145 -2.934) 7.724 15.911 ( 0.000 7.070 3.882) 8.066 16.232 ( 0.000 -2.148 -0.389) 2.183 16.273 ( 0.000 -2.378 18.875) 19.024 16.345 ( 0.000 -2.855 5.708) 6.383 16.466 ( 0.000 0.537 -5.031) 5.059 17.048 ( 0.000 -11.315 -9.937) 15.059 18.580 ( 0.000 5.377 11.026) 12.267 18.906 ( 0.000 -3.909 3.555) 5.283 19.281 ( 0.000 13.754 -0.278) 13.756 19.661 ( 0.000 -0.155 -0.459) 0.485 ======================= Grid point 82 (32/120) ======================= q-point: ( 0.11 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( 8.550 22.881 6.185) 25.197 1.523 ( 6.078 27.375 12.310) 30.624 2.529 ( 1.094 -9.233 1.062) 9.358 2.633 ( 20.330 27.010 15.310) 37.111 2.948 ( -3.271 -16.389 1.371) 16.768 3.089 ( -3.753 -3.164 -7.388) 8.871 3.224 ( -1.538 4.364 -3.473) 5.786 3.673 ( -4.937 -2.846 -4.800) 7.451 3.781 ( -0.791 7.932 -2.514) 8.358 3.845 ( -4.109 -8.562 -6.393) 11.448 4.110 ( -5.449 0.005 -8.223) 9.865 4.497 ( -7.689 -11.583 -3.404) 14.313 4.912 ( 2.588 5.261 -2.451) 6.355 5.180 ( 6.874 2.404 5.590) 9.180 5.253 ( -2.216 1.604 4.643) 5.389 5.532 ( 3.727 -3.333 7.665) 9.152 5.795 ( 3.708 15.995 -2.960) 16.684 5.961 ( 5.195 10.909 3.817) 12.671 6.848 ( 6.378 -15.507 3.923) 17.220 7.047 ( -4.859 -14.647 10.817) 18.846 7.319 ( 2.525 6.262 -8.829) 11.114 7.624 ( -1.622 -4.394 -13.831) 14.603 7.860 ( -2.595 5.249 11.068) 12.521 7.992 ( -8.049 6.228 -6.689) 12.178 8.217 ( -10.136 -3.953 -0.540) 10.893 8.390 ( -8.451 -4.243 1.995) 9.664 8.485 ( -6.738 2.215 1.443) 7.238 8.907 ( -8.360 3.739 -4.435) 10.175 9.014 ( -7.279 -0.988 0.229) 7.350 9.434 ( 3.659 -0.547 -3.453) 5.061 9.574 ( 4.625 -4.513 0.445) 6.477 9.765 ( 0.873 -1.729 7.400) 7.649 9.926 ( 10.322 -5.399 -5.793) 13.009 10.124 ( 22.706 -11.542 0.531) 25.477 10.510 ( -2.899 -2.763 5.230) 6.587 10.644 ( -1.320 -4.079 0.093) 4.288 11.085 ( 1.412 17.241 5.754) 18.230 11.748 ( -0.681 11.722 3.134) 12.153 11.838 ( 17.204 -4.099 7.052) 19.040 12.120 ( 10.159 4.988 4.173) 12.062 12.196 ( 1.398 -4.068 -2.517) 4.984 12.240 ( 5.605 5.118 -7.021) 10.340 12.757 ( 9.984 30.572 9.190) 33.448 13.368 ( -7.229 8.186 -4.067) 11.654 14.059 ( -2.856 -4.511 -16.602) 17.439 14.315 ( -6.627 -12.121 -10.830) 17.553 14.434 ( -4.599 -1.880 -12.658) 13.598 15.157 ( 2.890 -25.977 -1.279) 26.169 15.392 ( 3.765 2.907 3.474) 5.890 15.807 ( -6.739 3.682 0.761) 7.717 15.984 ( 5.681 -7.149 0.002) 9.132 16.146 ( -5.195 2.754 12.330) 13.660 16.285 ( -0.562 -5.521 -1.164) 5.670 16.356 ( -1.618 -4.633 4.778) 6.849 16.490 ( 2.856 -1.617 1.589) 3.646 17.015 ( -3.940 -11.555 -6.370) 13.770 18.641 ( 5.915 5.302 8.673) 11.761 18.946 ( 3.437 -2.857 0.734) 4.529 19.277 ( -0.422 13.651 -0.535) 13.668 19.647 ( -1.462 0.027 -0.616) 1.587 ======================= Grid point 83 (33/120) ======================= q-point: ( 0.22 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( 17.186 10.558 6.787) 21.282 1.717 ( 12.362 19.096 10.783) 25.175 2.536 ( 0.373 -11.439 -0.012) 11.445 2.865 ( -4.543 -15.837 -0.248) 16.477 2.993 ( -5.127 -2.028 -1.200) 5.642 3.020 ( 12.143 9.752 0.448) 15.581 3.207 ( 0.039 -3.386 -4.590) 5.704 3.524 ( -8.230 -3.078 2.357) 9.098 3.743 ( -3.328 6.966 -5.132) 9.270 3.821 ( 2.229 1.160 -5.909) 6.421 3.940 ( -10.358 4.603 -2.747) 11.663 4.285 ( -12.796 -7.695 -2.131) 15.083 4.977 ( 1.739 4.349 -3.035) 5.581 5.244 ( 6.703 5.760 -0.206) 8.840 5.333 ( 7.893 5.000 -2.856) 9.770 5.711 ( 11.481 7.153 -1.418) 13.602 5.912 ( 8.339 10.502 9.380) 16.365 6.144 ( 13.325 5.072 9.008) 16.865 6.916 ( -8.294 -11.504 6.926) 15.783 6.980 ( 6.157 -14.320 2.838) 15.844 7.372 ( 2.037 5.384 -6.274) 8.515 7.578 ( -3.352 -4.198 -9.404) 10.831 7.708 ( -15.461 7.625 -1.216) 17.282 7.841 ( -3.494 4.566 -1.079) 5.850 8.059 ( -5.812 -3.936 -2.475) 7.443 8.194 ( -9.589 -2.275 0.220) 9.857 8.329 ( -8.230 -1.123 5.956) 10.221 8.629 ( -16.552 -9.803 -1.247) 19.277 9.042 ( 6.073 10.849 2.186) 12.624 9.478 ( 1.170 1.659 -2.378) 3.127 9.639 ( 2.200 -5.578 1.636) 6.215 9.784 ( 0.172 -0.915 7.578) 7.635 10.073 ( 5.183 0.107 0.533) 5.211 10.334 ( -2.716 -2.094 -1.854) 3.899 10.585 ( 3.568 -6.890 -3.629) 8.566 10.660 ( 9.092 -15.304 1.618) 17.874 11.137 ( 3.322 22.483 3.188) 22.950 11.662 ( -6.269 17.716 8.453) 20.606 12.096 ( 3.543 1.775 4.469) 5.973 12.292 ( 12.136 -2.882 -7.569) 14.591 12.455 ( 19.694 -0.122 -6.262) 20.666 12.498 ( 18.332 1.939 -4.562) 18.990 12.997 ( 11.797 17.283 14.179) 25.277 13.310 ( 4.666 7.342 5.698) 10.399 13.914 ( -10.512 -1.830 -10.031) 14.645 14.249 ( -1.207 -13.457 -12.732) 18.564 14.307 ( -4.268 -2.647 -9.543) 10.784 15.138 ( -5.402 -1.586 -10.380) 11.809 15.514 ( 7.040 -11.277 6.813) 14.938 15.710 ( -1.494 1.247 1.319) 2.351 16.012 ( -3.815 -3.431 10.083) 11.314 16.106 ( -1.913 -0.672 -4.278) 4.734 16.245 ( -1.846 -6.866 0.714) 7.145 16.289 ( -2.868 -10.096 2.714) 10.840 16.550 ( 2.297 -4.426 4.003) 6.395 16.872 ( -10.256 -11.069 0.998) 15.123 18.802 ( 9.637 5.014 3.823) 11.516 19.022 ( 3.833 0.517 -2.827) 4.791 19.264 ( -0.899 13.272 -1.235) 13.360 19.601 ( -3.140 0.542 -1.029) 3.348 ======================= Grid point 84 (34/120) ======================= q-point: ( 0.33 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.960 ( 16.009 2.735 6.613) 17.536 1.990 ( 15.848 7.349 6.120) 18.510 2.551 ( 0.861 -10.110 -0.949) 10.191 2.737 ( -8.250 -10.478 -3.063) 13.683 2.930 ( 0.153 -3.103 2.689) 4.109 3.089 ( -3.414 -6.395 -7.348) 10.322 3.210 ( 1.088 -6.597 -5.994) 8.980 3.377 ( -6.448 -3.529 4.998) 8.889 3.650 ( -6.120 4.050 -2.811) 7.858 3.720 ( -10.033 1.076 -1.695) 10.232 3.858 ( -2.891 2.384 -3.932) 5.432 4.034 ( -10.577 -3.120 0.490) 11.039 5.102 ( 12.987 12.923 -1.135) 18.356 5.424 ( 5.503 21.340 5.983) 22.836 5.535 ( 14.961 2.434 -14.369) 20.886 5.941 ( 12.175 11.226 -13.211) 21.184 6.162 ( 16.737 1.663 13.118) 21.330 6.467 ( 17.155 1.152 11.518) 20.695 6.702 ( -12.970 -6.853 -0.516) 14.678 7.070 ( 1.307 -9.180 3.708) 9.986 7.300 ( -21.224 9.351 -9.317) 24.994 7.355 ( -7.657 1.346 -1.673) 7.953 7.510 ( -1.905 -6.296 -2.836) 7.163 7.791 ( -2.504 7.011 1.954) 7.697 7.959 ( -5.109 -1.224 3.510) 6.319 8.054 ( -4.223 -5.389 -0.897) 6.905 8.155 ( -8.843 -3.754 2.157) 9.846 8.339 ( -10.125 -11.770 -0.339) 15.530 9.185 ( 7.626 7.823 3.680) 11.528 9.487 ( -0.415 2.523 0.614) 2.630 9.667 ( 0.627 -5.125 3.429) 6.198 9.753 ( -3.098 -0.345 5.323) 6.168 10.137 ( 1.693 3.527 2.271) 4.524 10.266 ( -2.888 1.922 -2.155) 4.084 10.619 ( 2.589 -7.237 -2.931) 8.226 10.813 ( 2.756 -16.160 -0.718) 16.409 11.208 ( 3.787 25.023 3.356) 25.530 11.530 ( -6.571 21.383 8.942) 24.091 12.188 ( 8.142 10.417 -1.457) 13.302 12.540 ( 12.064 -13.789 -1.647) 18.395 12.725 ( 5.101 3.424 -7.805) 9.933 12.870 ( 16.507 -2.195 -8.117) 18.525 13.089 ( -2.112 -1.663 13.687) 13.949 13.629 ( 8.101 5.355 0.251) 9.714 13.726 ( 7.104 -1.295 -3.310) 7.943 14.198 ( 2.101 10.348 -2.966) 10.967 14.422 ( 10.427 -10.965 -12.171) 19.419 15.008 ( -3.462 8.794 -10.333) 14.003 15.577 ( -6.314 0.076 7.221) 9.593 15.704 ( 0.050 -13.618 -0.377) 13.624 15.938 ( -10.087 -2.082 0.252) 10.302 15.979 ( 3.101 -6.687 8.216) 11.038 16.144 ( -8.824 -16.868 -4.660) 19.599 16.347 ( 5.075 -7.827 2.309) 9.610 16.551 ( -4.214 -7.186 5.996) 10.264 16.646 ( -8.843 -7.507 6.222) 13.163 19.005 ( 10.005 4.768 -0.558) 11.097 19.098 ( 3.983 4.348 -3.693) 6.958 19.240 ( -1.478 12.394 -2.184) 12.672 19.519 ( -5.134 1.312 -1.524) 5.514 ======================= Grid point 85 (35/120) ======================= q-point: ( 0.44 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.209 ( 10.080 0.730 4.867) 11.218 2.285 ( 7.812 -5.084 4.364) 10.291 2.528 ( -1.459 -4.312 -3.772) 5.912 2.605 ( -4.602 -8.964 -0.395) 10.084 2.968 ( 2.003 -4.162 -2.632) 5.316 3.003 ( -3.027 -5.772 -5.118) 8.287 3.235 ( 1.115 -7.634 -2.513) 8.114 3.275 ( -3.278 -5.350 3.160) 7.025 3.530 ( -4.112 1.877 -1.496) 4.762 3.552 ( -5.997 0.743 -0.646) 6.077 3.783 ( -0.426 -3.292 -1.543) 3.660 3.864 ( -7.097 -2.632 0.425) 7.581 5.376 ( 10.085 21.028 -1.989) 23.406 5.471 ( -0.533 23.767 0.420) 23.777 5.891 ( 20.420 5.970 -8.282) 22.830 6.227 ( 7.269 -1.470 -11.774) 13.915 6.373 ( -6.271 4.942 -8.818) 11.895 6.545 ( 17.765 2.111 5.338) 18.670 6.719 ( -10.028 -2.269 -7.204) 12.554 6.885 ( -8.817 6.755 -0.218) 11.109 6.987 ( -3.030 -0.488 9.377) 9.867 7.180 ( -10.281 3.180 6.758) 12.708 7.548 ( 5.767 -10.728 3.841) 12.771 7.703 ( -7.340 1.965 4.854) 9.016 7.881 ( -1.901 1.169 4.740) 5.239 7.906 ( -5.785 -6.456 2.603) 9.051 8.129 ( 3.383 -6.466 -4.892) 8.785 8.211 ( -4.521 -9.183 -3.007) 10.669 9.334 ( 7.008 4.610 4.905) 9.717 9.448 ( -3.882 2.853 4.487) 6.584 9.669 ( 0.026 -3.519 3.085) 4.680 9.690 ( -2.324 -0.717 2.430) 3.438 10.169 ( 1.944 5.032 0.240) 5.400 10.215 ( -2.439 4.564 -0.839) 5.242 10.695 ( 4.700 -9.246 -1.773) 10.522 10.788 ( -3.941 -12.317 -1.220) 12.990 11.294 ( 4.876 25.288 5.584) 26.353 11.403 ( -6.010 23.989 7.875) 25.954 12.419 ( 13.612 9.590 -2.829) 16.890 12.659 ( -7.542 1.836 -2.071) 8.034 12.789 ( 8.927 -11.320 0.041) 14.417 12.956 ( -7.025 -13.856 7.060) 17.065 13.167 ( 11.872 -5.154 -7.542) 14.980 13.418 ( -13.027 -6.012 -8.402) 16.626 14.137 ( 14.919 14.076 -10.151) 22.886 14.337 ( -1.150 9.862 -4.834) 11.043 14.624 ( 21.284 10.023 3.293) 23.756 15.169 ( -13.672 5.424 0.670) 14.724 15.227 ( 8.282 0.894 -3.789) 9.151 15.662 ( -17.393 1.689 -9.463) 19.873 15.793 ( 3.791 -28.295 5.764) 29.123 15.925 ( -9.091 -27.199 2.356) 28.774 16.133 ( 8.998 -3.947 9.087) 13.383 16.318 ( -8.892 -5.394 9.965) 14.403 16.494 ( 3.384 -7.630 2.959) 8.856 16.565 ( -3.057 -6.251 1.995) 7.238 19.143 ( 3.595 8.345 -4.359) 10.078 19.195 ( -0.743 10.096 -3.738) 10.791 19.234 ( 7.225 4.188 -1.157) 8.431 19.394 ( -7.304 2.240 -1.768) 7.841 ======================= Grid point 90 (36/120) ======================= q-point: ( 0.00 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( 0.000 25.585 0.427) 25.589 2.038 ( 0.000 24.164 3.942) 24.484 2.231 ( 0.000 -16.078 1.581) 16.155 2.564 ( 0.000 -22.828 5.095) 23.389 2.949 ( 0.000 16.495 2.040) 16.621 3.094 ( 0.000 -2.344 -8.258) 8.584 3.422 ( 0.000 11.301 -0.223) 11.304 3.634 ( 0.000 -9.359 1.347) 9.456 3.779 ( 0.000 5.118 -5.791) 7.728 3.996 ( 0.000 -12.202 -5.565) 13.411 4.017 ( 0.000 14.119 -3.477) 14.541 4.299 ( 0.000 -15.253 -3.693) 15.694 5.038 ( 0.000 6.248 0.004) 6.248 5.113 ( 0.000 -1.389 5.851) 6.014 5.271 ( 0.000 3.475 9.891) 10.484 5.389 ( 0.000 -8.253 10.289) 13.189 6.031 ( 0.000 12.251 -8.978) 15.189 6.140 ( 0.000 5.458 -4.378) 6.997 6.564 ( 0.000 -1.410 9.758) 9.859 6.772 ( 0.000 -17.413 11.191) 20.699 7.420 ( 0.000 6.668 -13.677) 15.216 7.538 ( 0.000 -5.848 -15.764) 16.814 8.019 ( 0.000 7.410 13.706) 15.581 8.119 ( 0.000 -1.418 4.724) 4.932 8.339 ( 0.000 -1.389 -5.691) 5.858 8.349 ( 0.000 -3.811 2.557) 4.590 8.695 ( 0.000 9.672 -1.814) 9.840 8.921 ( 0.000 -13.558 -0.788) 13.580 9.172 ( 0.000 1.597 -5.571) 5.795 9.205 ( 0.000 -1.807 -6.649) 6.891 9.543 ( 0.000 4.650 6.070) 7.647 9.632 ( 0.000 -4.266 4.461) 6.173 9.743 ( 0.000 1.696 -0.630) 1.809 9.806 ( 0.000 -4.394 -4.349) 6.182 10.547 ( 0.000 1.403 6.500) 6.650 10.598 ( 0.000 -3.613 4.622) 5.867 11.343 ( 0.000 13.156 4.904) 14.041 11.539 ( 0.000 -7.180 4.430) 8.437 11.871 ( 0.000 6.712 -4.980) 8.358 12.009 ( 0.000 -8.232 -4.122) 9.206 12.167 ( 0.000 6.445 12.935) 14.452 12.256 ( 0.000 -2.030 6.442) 6.754 13.410 ( 0.000 43.293 4.347) 43.511 13.650 ( 0.000 11.066 -12.931) 17.019 13.882 ( 0.000 -12.035 -16.191) 20.173 14.203 ( 0.000 -33.038 -6.096) 33.596 14.417 ( 0.000 2.086 -9.658) 9.881 14.523 ( 0.000 -14.200 -5.432) 15.204 15.511 ( 0.000 9.972 -0.487) 9.984 15.716 ( 0.000 -11.012 -1.298) 11.088 16.046 ( 0.000 6.993 4.739) 8.448 16.166 ( 0.000 -5.346 4.393) 6.919 16.274 ( 0.000 1.564 11.659) 11.763 16.311 ( 0.000 -1.873 5.431) 5.745 16.568 ( 0.000 10.273 -8.136) 13.104 16.805 ( 0.000 -13.579 -9.663) 16.667 18.693 ( 0.000 6.355 8.808) 10.861 18.811 ( 0.000 -5.873 6.356) 8.654 19.503 ( 0.000 9.243 -0.425) 9.253 19.626 ( 0.000 -3.921 -0.491) 3.952 ======================= Grid point 91 (37/120) ======================= q-point: ( 0.11 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( 2.856 24.004 0.002) 24.173 2.036 ( 0.814 23.491 6.774) 24.462 2.237 ( 0.738 -16.374 1.232) 16.437 2.544 ( -1.531 -23.304 6.476) 24.235 3.011 ( 3.543 7.776 -3.039) 9.070 3.066 ( -2.628 -0.333 -8.657) 9.053 3.359 ( -5.433 9.576 -0.676) 11.031 3.558 ( -6.938 -10.071 1.892) 12.375 3.828 ( 5.139 9.852 -4.780) 12.097 3.983 ( -1.803 7.249 -5.570) 9.319 4.057 ( 2.052 -2.350 -3.652) 4.804 4.259 ( -4.157 -13.291 -3.059) 14.258 5.028 ( -0.039 7.049 -0.605) 7.075 5.149 ( 1.514 -4.584 -0.188) 4.831 5.314 ( 4.148 4.101 11.341) 12.753 5.419 ( 7.682 -6.951 11.913) 15.788 6.087 ( 4.643 13.038 -5.754) 14.989 6.174 ( 3.144 7.253 -3.644) 8.704 6.612 ( 4.349 -5.374 8.986) 11.337 6.752 ( -1.847 -15.280 10.672) 18.729 7.438 ( 1.550 5.873 -12.937) 14.292 7.538 ( -0.238 -4.743 -14.040) 14.821 7.968 ( -3.993 5.838 10.590) 12.734 8.056 ( -5.510 -1.871 2.883) 6.493 8.186 ( -10.496 3.178 -2.845) 11.329 8.289 ( -7.573 -5.987 -1.056) 9.711 8.578 ( -10.230 7.429 -0.303) 12.647 8.759 ( -13.536 -11.002 -0.886) 17.466 9.165 ( 3.047 10.116 -2.762) 10.920 9.350 ( 5.791 -8.793 -3.897) 11.227 9.571 ( 2.681 4.664 5.515) 7.705 9.684 ( 2.807 -6.289 10.402) 12.475 9.897 ( 13.118 2.067 -7.619) 15.310 9.971 ( 15.008 -5.560 -2.878) 16.261 10.500 ( -3.849 1.514 4.458) 6.081 10.558 ( -3.390 -4.269 2.375) 5.946 11.417 ( 6.501 16.730 4.103) 18.412 11.687 ( 12.202 -11.108 4.857) 17.201 11.955 ( 5.866 8.321 -2.714) 10.536 12.082 ( 7.552 -6.023 -4.666) 10.728 12.203 ( 6.031 4.529 10.103) 12.608 12.276 ( 2.701 -1.976 5.488) 6.428 13.438 ( 2.142 38.625 4.356) 38.928 13.576 ( -5.739 13.486 -9.635) 17.540 13.857 ( -1.875 -14.779 -14.187) 20.572 14.073 ( -10.552 -20.959 -5.623) 24.130 14.421 ( -1.567 1.461 -11.596) 11.792 14.594 ( 7.198 -22.321 -2.179) 23.553 15.547 ( 2.759 10.831 -0.726) 11.201 15.765 ( 3.745 -11.133 -1.914) 11.901 15.945 ( -7.661 6.548 3.293) 10.602 16.087 ( -6.131 -7.641 3.009) 10.248 16.278 ( -0.253 3.914 9.722) 10.484 16.343 ( 1.271 -1.920 4.336) 4.909 16.546 ( -2.202 8.994 -3.947) 10.066 16.772 ( -3.681 -13.336 -6.048) 15.099 18.752 ( 5.661 6.184 6.604) 10.673 18.865 ( 4.990 -5.421 4.057) 8.411 19.496 ( -0.709 9.062 -0.630) 9.112 19.615 ( -1.088 -3.715 -0.663) 3.927 ======================= Grid point 92 (38/120) ======================= q-point: ( 0.22 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( 6.762 17.984 0.340) 19.217 2.093 ( 4.490 16.553 7.170) 18.589 2.265 ( 2.393 -13.011 1.859) 13.359 2.523 ( -0.485 -19.998 8.472) 21.724 2.974 ( -4.509 1.259 -7.950) 9.226 3.036 ( -2.688 -4.188 -8.964) 10.253 3.243 ( -5.368 6.419 -0.940) 8.421 3.398 ( -8.155 -9.019 2.625) 12.439 3.892 ( -5.328 7.225 -6.721) 11.214 3.925 ( -1.810 5.363 -5.168) 7.665 4.032 ( -4.094 4.056 -1.718) 6.014 4.137 ( -7.745 -7.487 -0.476) 10.783 5.088 ( 6.992 7.369 -2.875) 10.557 5.217 ( 9.512 -5.100 -7.414) 13.094 5.507 ( 13.829 10.222 9.838) 19.812 5.692 ( 17.681 -7.774 13.891) 23.791 6.167 ( 2.775 13.752 -3.536) 14.468 6.275 ( 7.093 5.113 -2.353) 9.055 6.688 ( -0.850 -8.672 8.094) 11.893 6.736 ( 4.350 -10.723 8.413) 14.307 7.461 ( -0.132 3.609 -9.652) 10.306 7.515 ( -2.706 -2.635 -9.354) 10.088 7.881 ( -11.694 9.292 1.678) 15.030 7.912 ( -3.769 2.899 -2.042) 5.175 7.997 ( -6.078 -1.673 -3.446) 7.184 8.098 ( -9.759 -7.742 -1.453) 12.541 8.340 ( -12.454 2.489 5.199) 13.723 8.441 ( -17.135 -8.437 2.762) 19.298 9.244 ( 4.358 10.413 0.044) 11.288 9.429 ( 2.919 -8.438 -1.671) 9.084 9.621 ( 1.562 4.988 7.452) 9.102 9.727 ( 0.797 -4.961 10.052) 11.238 10.132 ( 9.671 5.941 -3.191) 11.790 10.270 ( 10.007 -6.770 -5.856) 13.426 10.445 ( 0.545 -2.126 2.623) 3.420 10.494 ( -2.350 -5.328 -1.029) 5.914 11.562 ( 7.342 21.546 1.964) 22.847 11.920 ( 9.900 -13.506 3.291) 17.066 11.997 ( -0.089 13.374 5.279) 14.378 12.224 ( 4.052 -7.603 -0.688) 8.643 12.447 ( 15.871 1.441 -3.315) 16.278 12.492 ( 17.740 -2.425 1.140) 17.941 13.432 ( -4.227 24.898 1.256) 25.286 13.543 ( 6.028 16.134 -1.382) 17.278 13.816 ( -11.149 -10.196 -6.330) 16.381 13.882 ( 3.407 -20.666 -8.679) 22.672 14.399 ( 0.976 10.775 -6.968) 12.869 14.768 ( 9.624 -27.098 -1.480) 28.794 15.530 ( -6.803 10.791 -0.649) 12.773 15.782 ( -5.286 -14.880 0.312) 15.794 15.844 ( 0.836 9.380 -1.135) 9.486 16.031 ( 2.532 -9.515 -1.883) 10.025 16.231 ( -5.966 5.558 5.033) 9.582 16.294 ( -6.424 1.724 2.394) 7.069 16.502 ( -1.573 1.673 4.241) 4.822 16.650 ( -8.032 -11.455 1.961) 14.127 18.903 ( 8.900 5.349 2.309) 10.638 18.990 ( 7.071 -3.507 0.125) 7.894 19.473 ( -1.593 8.465 -1.195) 8.696 19.581 ( -2.413 -3.083 -1.128) 4.075 ======================= Grid point 93 (39/120) ======================= q-point: ( 0.33 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( 9.699 9.081 0.752) 13.308 2.192 ( 5.180 6.867 3.467) 9.274 2.335 ( 3.955 -7.192 4.195) 9.217 2.506 ( -1.964 -13.357 5.330) 14.515 2.907 ( -1.189 0.533 -2.639) 2.944 2.961 ( -3.283 -5.309 -9.344) 11.237 3.160 ( -2.955 1.493 -2.239) 3.996 3.250 ( -6.492 -7.231 3.034) 10.180 3.728 ( -9.042 4.709 -4.919) 11.320 3.791 ( -8.742 0.561 -5.746) 10.476 3.888 ( -10.326 3.144 0.310) 10.798 3.972 ( -8.865 -3.961 0.891) 9.750 5.351 ( 18.108 11.850 -7.179) 22.800 5.510 ( 17.392 -4.729 -14.162) 22.921 5.803 ( 13.970 18.074 10.870) 25.298 6.075 ( 18.838 -8.194 11.668) 23.625 6.206 ( 1.817 11.962 -7.649) 14.314 6.431 ( 6.980 -8.931 -4.196) 12.087 6.664 ( 1.591 6.741 6.857) 9.746 6.861 ( 6.594 -11.899 7.758) 15.660 7.367 ( -11.667 0.785 -2.059) 11.873 7.387 ( -10.275 -1.452 -3.122) 10.836 7.576 ( -14.048 13.248 -7.647) 20.768 7.838 ( -10.548 -12.194 -6.808) 17.501 7.907 ( -0.064 5.020 1.128) 5.145 7.975 ( -3.061 -2.642 0.702) 4.104 8.103 ( -10.147 -0.900 4.537) 11.151 8.153 ( -8.789 -6.576 6.825) 12.926 9.336 ( 4.843 8.186 2.139) 9.748 9.483 ( 2.621 -6.095 0.445) 6.649 9.618 ( -1.782 3.179 8.511) 9.258 9.704 ( -2.877 -4.344 8.189) 9.706 10.265 ( 3.696 9.300 -1.352) 10.098 10.339 ( 1.088 5.028 -3.983) 6.506 10.475 ( 0.541 -7.526 -2.422) 7.924 10.531 ( 3.816 -12.567 0.276) 13.136 11.699 ( 6.158 25.665 1.578) 26.441 11.953 ( -2.049 21.679 7.362) 22.986 12.141 ( 10.009 -18.421 2.251) 21.085 12.300 ( 4.303 -11.967 1.828) 12.848 12.679 ( 6.002 2.052 -6.067) 8.777 12.799 ( 12.004 -7.096 -4.789) 14.744 13.276 ( -11.212 15.883 -2.352) 19.584 13.541 ( -14.249 -10.798 -6.587) 19.053 13.884 ( 26.785 13.356 0.126) 29.930 14.163 ( 22.814 -15.189 -5.692) 27.992 14.489 ( 7.806 20.967 -0.445) 22.378 14.968 ( 10.233 -24.819 -0.215) 26.847 15.333 ( -10.659 7.048 -0.984) 12.816 15.603 ( -10.371 -16.543 -0.551) 19.533 15.847 ( -11.039 8.231 -3.924) 14.319 16.003 ( -12.087 -3.206 -9.059) 15.442 16.078 ( -1.672 4.908 9.578) 10.892 16.211 ( 3.427 -6.562 5.307) 9.109 16.448 ( -5.079 -1.360 7.890) 9.481 16.512 ( -4.242 -6.324 5.425) 9.350 19.090 ( 9.311 3.790 -0.965) 10.099 19.134 ( 7.028 -0.498 -2.200) 7.381 19.430 ( -2.784 7.328 -1.971) 8.083 19.516 ( -4.105 -2.012 -1.733) 4.889 ======================= Grid point 94 (40/120) ======================= q-point: ( 0.44 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.230 ( 6.996 3.354 1.899) 7.987 2.288 ( 2.868 3.204 2.778) 5.119 2.384 ( 0.913 -8.219 1.023) 8.333 2.439 ( -3.949 -8.130 0.435) 9.049 2.945 ( 3.277 0.722 1.015) 3.506 2.950 ( 3.048 0.621 -5.558) 6.369 3.099 ( -3.370 -4.598 -3.426) 6.651 3.131 ( -5.521 -6.988 2.265) 9.189 3.600 ( -2.095 5.254 -2.244) 6.085 3.657 ( -5.460 5.618 -0.832) 7.878 3.712 ( -3.140 -3.345 -1.224) 4.749 3.790 ( -8.173 -5.304 0.175) 9.745 5.716 ( 15.488 13.585 -8.087) 22.132 5.813 ( 9.109 7.562 -10.290) 15.686 5.986 ( 4.787 6.219 -2.672) 8.290 6.138 ( -7.115 -7.157 -5.244) 11.373 6.477 ( 17.599 6.342 -7.376) 20.108 6.586 ( 13.279 -3.187 1.936) 13.793 6.741 ( -3.033 7.922 -0.119) 8.484 6.899 ( -9.811 -6.004 0.175) 11.503 7.091 ( -2.561 10.025 7.770) 12.940 7.245 ( -2.972 -0.184 5.589) 6.332 7.340 ( -6.557 -3.710 5.030) 9.058 7.534 ( -16.655 -14.995 3.305) 22.653 7.919 ( 0.687 5.604 1.538) 5.852 7.935 ( -1.117 3.349 0.769) 3.613 8.022 ( 0.294 -4.779 -2.005) 5.191 8.054 ( -2.649 -7.295 0.183) 7.764 9.436 ( 5.103 6.145 4.503) 9.170 9.519 ( -1.206 2.917 4.454) 5.459 9.575 ( 0.000 -4.405 5.560) 7.094 9.631 ( -3.854 -4.714 5.437) 8.163 10.315 ( 2.058 9.672 -2.079) 10.105 10.347 ( -0.747 8.986 -1.558) 9.151 10.509 ( 2.479 -10.117 -2.484) 10.709 10.552 ( -1.206 -12.102 -1.102) 12.211 11.809 ( 4.921 27.910 4.075) 28.632 11.896 ( -3.678 26.824 6.919) 27.945 12.310 ( 6.230 -23.645 3.559) 24.710 12.369 ( 0.865 -21.178 4.942) 21.764 12.792 ( 8.041 9.951 -6.232) 14.230 13.012 ( 10.709 -10.663 -7.761) 16.989 13.018 ( -13.222 12.804 -4.958) 19.062 13.258 ( -13.584 -11.072 -7.379) 19.015 14.444 ( 22.852 17.225 -6.604) 29.369 14.609 ( 8.351 14.609 -5.082) 17.578 14.732 ( 23.169 2.152 1.622) 23.325 15.146 ( -5.752 -27.276 -2.304) 27.971 15.187 ( 8.042 3.537 -0.814) 8.823 15.387 ( -9.184 -5.820 2.516) 11.160 15.480 ( -16.293 -7.189 4.007) 18.254 15.608 ( -22.830 -7.229 -1.568) 23.999 16.183 ( 7.281 6.393 6.272) 11.542 16.307 ( -0.620 0.274 5.001) 5.046 16.345 ( 0.127 -4.815 5.463) 7.283 16.435 ( -4.366 -7.052 3.417) 8.971 19.255 ( 6.401 3.376 -2.994) 7.831 19.274 ( 7.468 1.123 -2.238) 7.876 19.360 ( -4.257 5.504 -2.702) 7.464 19.415 ( -6.081 -0.544 -2.193) 6.487 ======================= Grid point 126 (41/120) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( 0.000 0.000 27.767) 27.767 1.226 ( 0.000 0.000 30.170) 30.170 2.163 ( 0.000 0.000 49.350) 49.350 2.778 ( 0.000 0.000 7.254) 7.254 2.876 ( 0.000 0.000 -17.813) 17.813 3.268 ( 0.000 0.000 1.774) 1.774 3.290 ( 0.000 0.000 -4.730) 4.730 3.571 ( 0.000 0.000 1.411) 1.411 3.747 ( 0.000 0.000 -23.517) 23.517 3.748 ( 0.000 0.000 -9.239) 9.239 3.941 ( 0.000 0.000 -13.644) 13.644 4.805 ( 0.000 0.000 -5.314) 5.314 4.807 ( 0.000 0.000 2.523) 2.523 5.050 ( 0.000 0.000 4.350) 4.350 5.232 ( 0.000 0.000 10.651) 10.651 5.483 ( 0.000 0.000 -1.895) 1.895 5.886 ( 0.000 0.000 15.115) 15.115 5.907 ( 0.000 0.000 15.283) 15.283 7.019 ( 0.000 0.000 -6.745) 6.745 7.227 ( 0.000 0.000 3.295) 3.295 7.530 ( 0.000 0.000 -9.498) 9.498 7.590 ( 0.000 0.000 -1.152) 1.152 7.668 ( 0.000 0.000 -9.338) 9.338 7.991 ( 0.000 0.000 12.686) 12.686 8.167 ( 0.000 0.000 -17.808) 17.808 8.361 ( 0.000 0.000 -7.266) 7.266 8.449 ( 0.000 0.000 -2.768) 2.768 9.028 ( 0.000 0.000 -4.718) 4.718 9.164 ( 0.000 0.000 -8.614) 8.614 9.478 ( 0.000 0.000 -1.866) 1.866 9.497 ( 0.000 0.000 -4.938) 4.938 9.503 ( 0.000 0.000 -5.423) 5.423 9.947 ( 0.000 0.000 -2.922) 2.922 10.614 ( 0.000 0.000 13.952) 13.952 10.732 ( 0.000 0.000 23.054) 23.054 10.962 ( 0.000 0.000 -7.578) 7.578 11.098 ( 0.000 0.000 1.762) 1.762 11.107 ( 0.000 0.000 8.037) 8.037 11.537 ( 0.000 0.000 0.191) 0.191 11.793 ( 0.000 0.000 2.940) 2.940 11.906 ( 0.000 0.000 10.540) 10.540 12.336 ( 0.000 0.000 26.425) 26.425 12.469 ( 0.000 0.000 8.399) 8.399 13.080 ( 0.000 0.000 -16.699) 16.699 13.897 ( 0.000 0.000 -16.828) 16.828 14.068 ( 0.000 0.000 -23.215) 23.215 14.474 ( 0.000 0.000 -6.929) 6.929 15.241 ( 0.000 0.000 -25.319) 25.319 15.581 ( 0.000 0.000 -8.271) 8.271 15.810 ( 0.000 0.000 17.507) 17.507 16.190 ( 0.000 0.000 6.973) 6.973 16.292 ( 0.000 0.000 -13.529) 13.529 16.501 ( 0.000 0.000 -0.828) 0.828 16.664 ( 0.000 0.000 15.616) 15.616 16.903 ( 0.000 0.000 -4.170) 4.170 17.039 ( 0.000 0.000 1.524) 1.524 18.772 ( 0.000 0.000 16.549) 16.549 18.873 ( 0.000 0.000 -0.485) 0.485 18.902 ( 0.000 0.000 -0.625) 0.625 19.627 ( 0.000 0.000 -0.848) 0.848 ======================= Grid point 127 (42/120) ======================= q-point: ( 0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( 12.319 0.000 22.983) 26.076 1.419 ( 17.626 0.000 24.903) 30.509 2.405 ( 21.620 0.000 40.124) 45.578 2.799 ( 1.884 0.000 6.866) 7.120 2.908 ( 3.206 0.000 -14.445) 14.796 3.145 ( -6.082 0.000 -3.219) 6.881 3.377 ( 0.746 0.000 1.973) 2.109 3.526 ( -0.781 0.000 -1.728) 1.897 3.620 ( -8.446 0.000 -13.886) 16.253 3.745 ( -4.810 0.000 -14.654) 15.423 3.919 ( -2.277 0.000 -12.970) 13.169 4.714 ( -8.869 0.000 -4.636) 10.007 4.775 ( -1.652 0.000 1.674) 2.352 5.009 ( -3.000 0.000 3.956) 4.964 5.252 ( 1.510 0.000 5.411) 5.618 5.366 ( -7.785 0.000 0.930) 7.840 5.962 ( 5.318 0.000 13.915) 14.897 6.059 ( 13.605 0.000 16.705) 21.545 7.033 ( 0.873 0.000 -6.905) 6.960 7.300 ( 6.206 0.000 0.391) 6.218 7.491 ( -5.079 0.000 -5.826) 7.729 7.557 ( -3.592 0.000 -2.134) 4.178 7.619 ( -3.633 0.000 -10.294) 10.917 7.849 ( -11.250 0.000 5.291) 12.432 8.123 ( -3.854 0.000 -14.526) 15.029 8.378 ( -6.178 0.000 0.066) 6.178 8.502 ( 11.309 0.000 -0.606) 11.325 8.762 ( -14.498 0.000 4.921) 15.311 9.039 ( -11.535 0.000 -2.970) 11.911 9.448 ( -2.796 0.000 -7.132) 7.660 9.542 ( 3.211 0.000 -5.204) 6.115 9.662 ( 9.178 0.000 -10.363) 13.843 10.067 ( 9.224 0.000 -0.648) 9.247 10.633 ( 1.987 0.000 13.696) 13.839 10.688 ( -6.097 0.000 14.898) 16.098 10.975 ( -8.370 0.000 6.343) 10.502 11.173 ( 7.373 0.000 2.215) 7.698 11.178 ( 15.125 0.000 -10.088) 18.181 11.610 ( 3.507 0.000 5.832) 6.805 11.782 ( -4.156 0.000 4.958) 6.469 12.027 ( 19.147 0.000 0.927) 19.169 12.466 ( 1.752 0.000 9.016) 9.185 12.617 ( 22.892 0.000 24.367) 33.434 13.142 ( 5.786 0.000 -12.248) 13.546 13.835 ( -5.930 0.000 -16.500) 17.533 14.099 ( 3.193 0.000 -22.791) 23.013 14.413 ( -6.282 0.000 -4.814) 7.914 15.013 ( -17.426 0.000 -23.313) 29.105 15.706 ( -6.195 0.000 15.547) 16.736 15.711 ( 7.458 0.000 -8.266) 11.134 16.263 ( 2.596 0.000 2.031) 3.296 16.384 ( 9.052 0.000 -6.611) 11.209 16.526 ( 2.424 0.000 -0.565) 2.489 16.558 ( -6.967 0.000 19.648) 20.846 16.898 ( -0.482 0.000 -3.666) 3.697 17.101 ( 3.095 0.000 -2.691) 4.101 18.792 ( 1.984 0.000 14.430) 14.566 18.844 ( -4.111 0.000 -1.364) 4.331 18.864 ( -1.795 0.000 -1.820) 2.556 19.605 ( -2.229 0.000 -1.109) 2.490 ======================= Grid point 128 (43/120) ======================= q-point: ( 0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( 17.014 0.000 14.675) 22.469 1.850 ( 23.594 0.000 16.285) 28.668 2.810 ( 11.265 0.000 -1.352) 11.345 2.839 ( 1.589 0.000 5.435) 5.662 2.944 ( -1.912 0.000 8.750) 8.956 3.135 ( 5.367 0.000 3.641) 6.486 3.342 ( 3.703 0.000 -2.909) 4.709 3.429 ( -10.159 0.000 -9.287) 13.764 3.561 ( -12.282 0.000 -9.395) 15.464 3.611 ( 7.890 0.000 0.606) 7.913 3.854 ( -3.972 0.000 -11.767) 12.419 4.476 ( -13.697 0.000 -2.166) 13.867 4.783 ( 1.905 0.000 -3.036) 3.584 4.944 ( -3.550 0.000 3.252) 4.814 5.251 ( -3.205 0.000 -1.314) 3.463 5.308 ( 5.206 0.000 -0.834) 5.272 6.084 ( 7.648 0.000 13.850) 15.821 6.387 ( 17.829 0.000 16.560) 24.334 7.015 ( -4.457 0.000 -10.315) 11.237 7.274 ( -16.032 0.000 -5.652) 16.999 7.420 ( -9.900 0.000 -3.802) 10.605 7.424 ( 3.299 0.000 -4.976) 5.970 7.576 ( 0.340 0.000 -4.746) 4.759 7.645 ( -6.896 0.000 5.301) 8.698 8.057 ( -1.576 0.000 -9.249) 9.382 8.226 ( -8.618 0.000 2.795) 9.060 8.552 ( -7.718 0.000 7.083) 10.475 8.759 ( 13.724 0.000 3.957) 14.283 8.783 ( -12.903 0.000 -2.792) 13.202 9.402 ( -0.827 0.000 -7.631) 7.675 9.595 ( 1.290 0.000 -3.790) 4.003 9.796 ( 4.510 0.000 -6.479) 7.894 10.228 ( 5.246 0.000 2.963) 6.025 10.526 ( -9.772 0.000 6.712) 11.855 10.694 ( 4.035 0.000 13.484) 14.075 10.813 ( -5.008 0.000 6.697) 8.363 11.380 ( 2.393 0.000 -7.738) 8.099 11.382 ( 11.845 0.000 3.672) 12.401 11.499 ( -7.509 0.000 14.049) 15.930 11.964 ( 15.868 0.000 -8.122) 17.826 12.387 ( 15.326 0.000 -7.817) 17.204 12.662 ( 17.784 0.000 10.377) 20.590 13.150 ( 27.935 0.000 22.151) 35.651 13.288 ( 7.956 0.000 -7.713) 11.081 13.694 ( -5.804 0.000 -14.935) 16.023 14.171 ( -4.069 0.000 -22.456) 22.822 14.260 ( 0.341 0.000 2.652) 2.674 14.627 ( -20.546 0.000 -22.593) 30.538 15.631 ( -1.605 0.000 11.321) 11.435 15.780 ( -1.672 0.000 -3.725) 4.083 16.251 ( -3.429 0.000 2.168) 4.057 16.496 ( 1.334 0.000 13.906) 13.970 16.562 ( 7.598 0.000 0.608) 7.622 16.590 ( 3.840 0.000 0.428) 3.864 16.887 ( -0.552 0.000 -2.341) 2.405 17.096 ( -3.956 0.000 -0.898) 4.056 18.754 ( -4.018 0.000 -5.712) 6.984 18.823 ( -2.389 0.000 -3.231) 4.019 18.855 ( 4.457 0.000 9.043) 10.081 19.538 ( -4.410 0.000 -1.786) 4.758 ======================= Grid point 129 (44/120) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( 18.347 0.000 7.433) 19.796 2.307 ( 20.856 0.000 8.769) 22.624 2.771 ( -8.063 0.000 -3.504) 8.791 2.841 ( -1.623 0.000 2.578) 3.047 3.010 ( 4.692 0.000 -12.857) 13.686 3.113 ( -2.683 0.000 4.887) 5.575 3.227 ( -9.572 0.000 -3.822) 10.307 3.332 ( -9.015 0.000 -5.969) 10.812 3.469 ( 0.776 0.000 -1.353) 1.560 3.747 ( -6.043 0.000 -12.825) 14.177 3.921 ( 18.411 0.000 12.964) 22.518 4.240 ( -7.540 0.000 3.078) 8.144 4.802 ( -0.532 0.000 -2.440) 2.497 4.871 ( -3.533 0.000 3.156) 4.737 5.272 ( 7.284 0.000 -5.407) 9.072 5.502 ( 14.521 0.000 -8.826) 16.993 6.277 ( 10.116 0.000 9.305) 13.744 6.714 ( 4.858 0.000 -1.125) 4.987 6.797 ( -7.599 0.000 -2.403) 7.970 6.874 ( -21.700 0.000 -5.911) 22.490 7.266 ( -4.611 0.000 3.491) 5.783 7.345 ( -9.825 0.000 -5.475) 11.247 7.577 ( -0.415 0.000 5.206) 5.223 7.681 ( 8.245 0.000 -0.575) 8.265 8.035 ( -10.426 0.000 5.083) 11.600 8.069 ( 1.650 0.000 -8.793) 8.946 8.404 ( -7.192 0.000 7.622) 10.479 8.562 ( -8.463 0.000 -1.935) 8.682 9.033 ( 13.250 0.000 4.691) 14.056 9.437 ( 4.445 0.000 -4.588) 6.388 9.577 ( -3.189 0.000 -1.181) 3.400 9.843 ( -0.310 0.000 -1.325) 1.361 10.250 ( -2.538 0.000 3.827) 4.592 10.317 ( -9.289 0.000 2.471) 9.612 10.794 ( 5.973 0.000 13.536) 14.795 10.824 ( 5.140 0.000 5.701) 7.676 11.287 ( -9.557 0.000 15.539) 18.243 11.309 ( -7.421 0.000 0.059) 7.422 11.728 ( 18.171 0.000 -0.509) 18.178 12.273 ( 12.322 0.000 -8.684) 15.074 12.704 ( 16.634 0.000 -10.891) 19.882 13.011 ( 14.490 0.000 5.334) 15.440 13.404 ( -1.923 0.000 -7.868) 8.100 13.413 ( 3.499 0.000 -7.324) 8.117 13.902 ( -16.186 0.000 -3.917) 16.653 13.948 ( 31.545 0.000 11.953) 33.733 14.205 ( -21.272 0.000 -21.339) 30.130 14.522 ( 19.937 0.000 -6.531) 20.979 15.584 ( -5.198 0.000 4.264) 6.724 15.621 ( -14.326 0.000 2.265) 14.503 16.210 ( 1.327 0.000 6.617) 6.748 16.551 ( 2.549 0.000 7.327) 7.757 16.676 ( 4.544 0.000 1.391) 4.752 16.677 ( 3.922 0.000 2.340) 4.567 16.872 ( -1.209 0.000 -0.600) 1.349 16.951 ( -9.688 0.000 5.923) 11.356 18.697 ( -1.605 0.000 -9.053) 9.194 18.771 ( -2.728 0.000 -5.548) 6.183 18.970 ( 6.891 0.000 3.024) 7.525 19.429 ( -6.393 0.000 -2.521) 6.872 ======================= Grid point 130 (45/120) ======================= q-point: ( 0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.260 ( 17.160 0.000 2.708) 17.372 2.565 ( -12.815 0.000 -0.205) 12.817 2.638 ( 11.249 0.000 1.760) 11.386 2.780 ( -4.406 0.000 0.082) 4.406 3.060 ( 1.627 0.000 -8.876) 9.024 3.097 ( -0.886 0.000 -8.310) 8.357 3.109 ( -0.405 0.000 -1.171) 1.240 3.188 ( -6.210 0.000 -1.116) 6.309 3.466 ( 2.163 0.000 -3.655) 4.247 3.585 ( -8.532 0.000 -9.002) 12.403 4.150 ( 4.607 0.000 11.455) 12.347 4.193 ( 0.078 0.000 9.518) 9.519 4.786 ( -0.239 0.000 0.776) 0.812 4.809 ( -2.435 0.000 2.295) 3.346 5.605 ( 25.050 0.000 -8.441) 26.434 5.870 ( 21.351 0.000 -15.194) 26.205 6.155 ( -25.452 0.000 -7.608) 26.565 6.325 ( -23.347 0.000 -18.719) 29.925 6.754 ( 13.168 0.000 5.094) 14.119 7.021 ( 10.767 0.000 11.119) 15.478 7.078 ( -16.089 0.000 0.994) 16.119 7.179 ( -5.378 0.000 6.658) 8.559 7.636 ( 6.487 0.000 5.982) 8.824 7.818 ( -10.775 0.000 6.411) 12.538 7.859 ( 9.229 0.000 -2.695) 9.614 8.030 ( -6.678 0.000 -6.717) 9.472 8.340 ( 2.092 0.000 4.156) 4.653 8.429 ( -5.584 0.000 0.035) 5.585 9.279 ( 11.074 0.000 3.715) 11.680 9.468 ( -7.626 0.000 1.605) 7.793 9.574 ( 8.742 0.000 -0.430) 8.753 9.756 ( -8.128 0.000 2.029) 8.378 10.184 ( -1.203 0.000 0.094) 1.207 10.209 ( -3.010 0.000 1.658) 3.436 10.932 ( 7.733 0.000 13.892) 15.899 10.965 ( 8.182 0.000 5.688) 9.965 11.100 ( -8.986 0.000 14.607) 17.150 11.138 ( -8.937 0.000 4.205) 9.876 12.093 ( 17.110 0.000 -2.832) 17.342 12.348 ( -5.994 0.000 -5.689) 8.264 13.031 ( 14.992 0.000 -11.255) 18.746 13.197 ( 1.933 0.000 -2.589) 3.231 13.438 ( 1.465 0.000 -4.198) 4.446 13.466 ( 10.682 0.000 -16.014) 19.250 13.590 ( -13.344 0.000 0.908) 13.375 13.789 ( -19.643 0.000 -19.343) 27.568 14.620 ( 32.953 0.000 12.704) 35.317 14.974 ( 23.012 0.000 -4.843) 23.516 15.216 ( -25.656 0.000 8.130) 26.913 15.374 ( -15.790 0.000 -2.393) 15.971 16.329 ( 9.683 0.000 8.595) 12.947 16.525 ( -6.994 0.000 6.305) 9.416 16.728 ( 1.726 0.000 4.368) 4.697 16.764 ( 4.078 0.000 1.547) 4.361 16.780 ( -5.034 0.000 9.280) 10.558 16.833 ( -2.708 0.000 0.857) 2.840 18.689 ( 0.732 0.000 -9.588) 9.616 18.720 ( -2.214 0.000 -7.978) 8.279 19.123 ( 8.145 0.000 -1.063) 8.215 19.286 ( -7.828 0.000 -2.624) 8.256 ======================= Grid point 135 (46/120) ======================= q-point: ( 0.00 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( 0.000 5.307 26.933) 27.451 1.294 ( 0.000 18.458 22.951) 29.452 2.416 ( 0.000 22.662 41.113) 46.945 2.697 ( 0.000 -7.412 -3.300) 8.113 2.947 ( 0.000 5.645 -7.186) 9.138 3.192 ( 0.000 -6.100 -0.833) 6.157 3.239 ( 0.000 -8.473 -1.917) 8.687 3.490 ( 0.000 -0.915 -7.962) 8.014 3.727 ( 0.000 -4.764 -6.757) 8.268 3.784 ( 0.000 2.940 -21.655) 21.854 3.946 ( 0.000 -0.434 -8.246) 8.257 4.696 ( 0.000 -9.437 -5.893) 11.126 4.878 ( 0.000 5.244 2.809) 5.949 5.190 ( 0.000 11.647 7.970) 14.113 5.330 ( 0.000 9.541 7.259) 11.988 5.406 ( 0.000 -3.805 0.450) 3.831 5.855 ( 0.000 -2.727 14.885) 15.133 5.917 ( 0.000 0.784 12.845) 12.869 7.027 ( 0.000 -0.527 -6.150) 6.173 7.143 ( 0.000 -7.136 2.723) 7.638 7.446 ( 0.000 -4.985 -13.086) 14.004 7.504 ( 0.000 -9.298 2.816) 9.715 7.798 ( 0.000 8.867 -9.040) 12.663 8.037 ( 0.000 4.416 12.937) 13.669 8.161 ( 0.000 -0.310 -16.958) 16.961 8.451 ( 0.000 0.610 -3.607) 3.658 8.455 ( 0.000 7.620 -7.252) 10.520 9.036 ( 0.000 0.624 -4.594) 4.636 9.068 ( 0.000 -7.914 -8.591) 11.680 9.403 ( 0.000 -7.587 -4.077) 8.613 9.469 ( 0.000 -0.532 -3.372) 3.414 9.526 ( 0.000 -0.403 -7.258) 7.270 9.922 ( 0.000 -2.102 0.237) 2.115 10.465 ( 0.000 -18.871 19.073) 26.831 10.700 ( 0.000 7.238 12.905) 14.796 10.799 ( 0.000 -3.603 10.802) 11.387 11.114 ( 0.000 1.626 7.820) 7.987 11.570 ( 0.000 26.355 -11.114) 28.603 11.575 ( 0.000 3.736 -1.272) 3.946 11.772 ( 0.000 -1.691 2.504) 3.021 12.103 ( 0.000 16.383 6.449) 17.607 12.357 ( 0.000 2.063 25.276) 25.360 12.466 ( 0.000 2.271 10.580) 10.821 13.103 ( 0.000 2.556 -17.058) 17.248 13.861 ( 0.000 -4.124 -16.762) 17.262 14.064 ( 0.000 -0.407 -22.118) 22.122 14.431 ( 0.000 -3.949 -4.843) 6.249 15.277 ( 0.000 2.393 -21.673) 21.804 15.570 ( 0.000 -2.278 2.775) 3.590 15.764 ( 0.000 -1.990 4.087) 4.546 16.056 ( 0.000 -15.876 4.693) 16.555 16.269 ( 0.000 -3.571 -11.212) 11.767 16.339 ( 0.000 -9.484 -2.590) 9.832 16.682 ( 0.000 0.253 15.865) 15.867 16.771 ( 0.000 -8.678 9.133) 12.598 17.013 ( 0.000 -5.064 -6.105) 7.932 18.776 ( 0.000 1.303 14.565) 14.623 18.942 ( 0.000 2.832 -0.223) 2.841 19.016 ( 0.000 12.571 0.516) 12.581 19.637 ( 0.000 0.856 -0.950) 1.279 ======================= Grid point 136 (47/120) ======================= q-point: ( 0.11 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 11.060 12.066 21.159) 26.751 1.424 ( 14.176 5.911 22.524) 27.263 2.602 ( 13.936 13.720 24.500) 31.348 2.731 ( 4.713 -2.324 7.053) 8.795 2.958 ( 2.129 2.674 -8.082) 8.776 3.115 ( -4.925 -2.671 -1.313) 5.755 3.241 ( -2.134 -11.357 -1.348) 11.634 3.512 ( 2.529 1.456 -7.179) 7.750 3.663 ( -5.665 -4.424 -6.801) 9.895 3.719 ( -6.254 3.823 -15.781) 17.400 3.931 ( -2.031 -0.269 -10.034) 10.241 4.604 ( -8.762 -9.031 -5.274) 13.643 4.830 ( -2.757 4.625 2.433) 5.909 5.159 ( -2.189 12.064 5.183) 13.311 5.305 ( -4.306 -0.981 4.491) 6.299 5.375 ( 0.001 9.071 0.795) 9.106 5.917 ( 5.652 -2.416 14.664) 15.901 6.072 ( 13.535 0.227 14.836) 20.084 7.041 ( 1.158 -0.295 -6.255) 6.368 7.214 ( 5.946 -7.199 0.656) 9.360 7.426 ( -6.730 -7.525 -1.654) 10.230 7.461 ( 0.324 -6.392 -7.536) 9.887 7.708 ( -8.632 6.955 -8.753) 14.124 7.928 ( -8.662 6.381 6.478) 12.558 8.109 ( -4.030 -1.448 -13.786) 14.436 8.387 ( -5.980 0.724 -1.707) 6.260 8.582 ( 8.476 4.283 0.193) 9.498 8.716 ( -12.960 -1.410 2.097) 13.204 9.032 ( -9.997 -0.718 -3.030) 10.471 9.383 ( -1.129 -4.295 -6.560) 7.922 9.568 ( 4.117 0.239 -5.787) 7.106 9.658 ( 9.920 0.018 -10.025) 14.103 10.026 ( 8.405 -3.679 1.477) 9.293 10.592 ( 4.912 -12.382 16.327) 21.072 10.687 ( -2.562 1.508 11.414) 11.794 10.795 ( 6.330 -7.658 3.632) 10.578 11.010 ( -7.456 3.574 7.935) 11.460 11.630 ( 5.086 15.938 -3.800) 17.156 11.676 ( 6.786 12.274 -5.539) 15.079 11.936 ( -3.668 12.711 6.390) 14.692 12.017 ( 16.041 0.228 0.419) 16.048 12.406 ( 2.138 -5.183 10.948) 12.301 12.701 ( 21.296 8.731 21.564) 31.539 13.152 ( 4.770 1.330 -12.358) 13.313 13.814 ( -4.815 -2.354 -16.720) 17.558 14.078 ( 1.730 -2.512 -22.023) 22.233 14.374 ( -5.730 -3.524 -2.827) 7.297 15.065 ( -16.061 4.689 -20.461) 26.431 15.623 ( 0.496 -4.495 10.835) 11.741 15.790 ( 4.198 4.010 -4.836) 7.555 16.132 ( 5.676 -17.630 3.095) 18.778 16.320 ( 3.015 -4.442 -12.730) 13.816 16.344 ( 1.405 -11.606 1.928) 11.849 16.585 ( -6.258 0.183 18.152) 19.202 16.788 ( 0.630 -7.933 5.061) 9.431 17.051 ( 1.830 -5.998 -4.991) 8.015 18.789 ( 1.176 1.281 11.720) 11.848 18.910 ( -2.559 4.400 -1.268) 5.245 19.005 ( -1.062 12.629 0.150) 12.674 19.616 ( -2.126 0.963 -1.210) 2.628 ======================= Grid point 137 (48/120) ======================= q-point: ( 0.22 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( 14.634 11.064 13.721) 22.910 1.805 ( 21.690 -2.760 17.147) 27.787 2.708 ( 0.291 -8.215 -1.882) 8.433 2.878 ( 3.712 1.611 -4.560) 6.096 3.006 ( -4.152 2.207 2.097) 5.149 3.061 ( -1.305 -7.060 5.152) 8.837 3.281 ( 10.522 -2.633 1.449) 10.943 3.495 ( -4.687 1.200 -3.827) 6.169 3.548 ( -8.151 1.495 -9.034) 12.259 3.637 ( 4.799 4.740 -2.073) 7.056 3.851 ( -5.461 -0.990 -8.506) 10.156 4.373 ( -13.327 -8.115 -3.322) 15.953 4.825 ( 2.000 4.117 -2.588) 5.258 5.125 ( -0.843 15.198 5.265) 16.106 5.226 ( -2.041 -1.715 -0.903) 2.815 5.402 ( 3.295 9.684 -2.585) 10.551 6.072 ( 9.875 0.494 13.758) 16.942 6.393 ( 17.285 -0.229 15.247) 23.050 7.043 ( -2.843 1.939 -8.861) 9.506 7.178 ( -14.905 -9.253 -4.245) 18.050 7.348 ( 3.126 -5.378 -1.489) 6.397 7.467 ( -11.342 4.088 -4.030) 12.712 7.493 ( 0.366 -4.983 -6.338) 8.071 7.775 ( -5.614 7.824 2.710) 10.003 8.033 ( -2.599 -2.140 -7.722) 8.424 8.241 ( -7.880 0.460 1.977) 8.137 8.489 ( -7.798 -5.245 5.580) 10.929 8.701 ( -7.970 -4.083 -2.378) 9.265 8.911 ( 6.669 10.070 3.900) 12.692 9.376 ( 0.882 -0.784 -6.166) 6.278 9.638 ( 2.256 2.211 -4.545) 5.535 9.792 ( 4.048 0.538 -5.501) 6.851 10.186 ( 5.900 -3.992 3.745) 8.047 10.479 ( -10.015 -3.662 8.133) 13.411 10.693 ( 0.989 -3.630 7.001) 7.948 10.906 ( -1.204 11.843 9.460) 15.206 11.028 ( 11.034 -17.488 1.711) 20.749 11.603 ( -8.175 11.063 14.664) 20.106 11.752 ( 3.383 18.431 -6.778) 19.928 12.056 ( 14.534 8.991 -8.563) 19.116 12.365 ( 14.833 -2.265 -8.129) 17.065 12.599 ( 17.236 -6.378 10.062) 20.953 13.191 ( 25.234 4.238 21.202) 33.230 13.283 ( 7.860 0.003 -6.953) 10.494 13.689 ( -5.827 -0.565 -15.143) 16.235 14.120 ( -1.249 -5.525 -21.666) 22.395 14.234 ( -3.801 -2.040 2.833) 5.161 14.726 ( -16.208 9.346 -19.461) 26.995 15.623 ( 0.080 0.143 9.269) 9.271 15.841 ( -1.316 4.969 -3.477) 6.205 16.227 ( 1.459 -8.678 1.410) 8.912 16.308 ( 0.541 -15.876 2.208) 16.038 16.431 ( 4.131 -13.171 -2.044) 13.954 16.514 ( -0.181 -3.786 10.697) 11.349 16.792 ( -0.316 -6.891 4.074) 8.011 17.035 ( -3.839 -6.501 -0.996) 7.615 18.806 ( -0.222 3.999 -0.513) 4.038 18.885 ( 1.197 5.262 0.631) 5.433 18.979 ( -1.205 12.130 -0.040) 12.190 19.552 ( -4.238 1.250 -1.881) 4.802 ======================= Grid point 138 (49/120) ======================= q-point: ( 0.33 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( 15.957 6.518 7.463) 18.783 2.232 ( 19.724 -6.572 10.766) 23.412 2.670 ( -4.216 -6.931 -1.918) 8.336 2.873 ( -6.862 -6.402 -1.181) 9.459 2.918 ( -0.242 -1.452 -8.979) 9.099 3.042 ( 0.390 -5.351 -4.051) 6.723 3.256 ( -6.129 -3.752 -4.325) 8.387 3.371 ( -7.229 6.123 -1.355) 9.570 3.510 ( -1.667 3.383 -2.322) 4.429 3.734 ( -6.352 -2.420 -8.202) 10.653 3.859 ( 11.325 -3.782 8.667) 14.754 4.132 ( -8.636 -7.915 1.475) 11.807 4.888 ( 4.933 8.252 -1.409) 9.717 5.111 ( -1.703 20.507 4.368) 21.036 5.284 ( 9.427 1.464 -6.986) 11.825 5.553 ( 12.649 5.728 -8.648) 16.358 6.305 ( 12.077 3.518 9.675) 15.869 6.702 ( 8.254 -1.636 3.919) 9.283 6.753 ( -21.485 -5.833 -9.155) 24.072 6.910 ( -11.421 4.845 -5.366) 13.517 7.238 ( -6.942 -1.529 1.657) 7.299 7.341 ( -4.275 0.667 0.671) 4.379 7.594 ( 6.295 -5.859 -2.242) 8.888 7.708 ( -0.848 8.224 5.105) 9.717 8.027 ( 0.769 -3.248 -5.639) 6.553 8.084 ( -6.952 2.347 3.016) 7.933 8.331 ( -8.417 -6.583 6.233) 12.370 8.487 ( -9.570 -7.043 -1.705) 12.004 9.126 ( 11.544 8.293 5.499) 15.241 9.427 ( 4.106 0.699 -2.508) 4.862 9.643 ( -1.731 4.981 -2.448) 5.814 9.833 ( -0.317 -0.731 -0.532) 0.958 10.219 ( -2.850 -2.779 3.534) 5.323 10.284 ( -7.382 -2.310 2.914) 8.266 10.753 ( 5.413 -5.995 4.548) 9.269 10.949 ( 4.477 13.170 11.979) 18.358 11.135 ( -0.704 -12.953 2.458) 13.203 11.422 ( -9.223 12.888 14.524) 21.497 11.886 ( 11.314 12.711 -2.677) 17.226 12.343 ( 11.088 6.831 -10.219) 16.554 12.673 ( 16.307 -3.495 -10.789) 19.863 12.922 ( 13.113 -8.848 3.866) 16.285 13.369 ( -3.011 -1.899 -2.336) 4.257 13.485 ( 6.334 5.458 -8.467) 11.900 13.716 ( -3.131 -11.222 -2.375) 11.890 14.096 ( 15.304 7.668 8.542) 19.131 14.200 ( -9.287 -0.232 -18.942) 21.097 14.612 ( 11.802 8.750 -7.002) 16.275 15.573 ( -7.875 1.296 4.998) 9.417 15.708 ( -11.219 6.227 -0.607) 12.846 16.205 ( 0.588 -0.870 6.909) 6.988 16.401 ( 6.051 -24.553 2.036) 25.369 16.479 ( 0.993 -13.762 3.660) 14.275 16.551 ( 2.498 -9.186 1.990) 9.726 16.769 ( -2.114 -6.298 3.659) 7.584 16.902 ( -8.731 -5.835 5.758) 11.976 18.798 ( 0.127 8.789 -7.825) 11.768 18.901 ( -1.366 11.026 -5.049) 12.204 19.009 ( 5.282 4.555 2.213) 7.318 19.447 ( -6.211 1.625 -2.614) 6.932 ======================= Grid point 139 (50/120) ======================= q-point: ( 0.44 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.273 ( 14.406 1.274 2.910) 14.752 2.521 ( -8.665 -4.674 1.521) 9.962 2.564 ( 11.042 -6.565 2.391) 13.067 2.744 ( -6.271 -3.956 0.371) 7.424 2.928 ( 1.555 -7.799 -9.405) 12.316 2.994 ( -4.436 -6.462 -7.787) 11.049 3.223 ( 1.225 4.489 -2.593) 5.326 3.260 ( -3.343 5.314 -0.989) 6.356 3.476 ( 1.009 0.329 -3.206) 3.377 3.580 ( -8.003 -1.369 -6.299) 10.276 3.966 ( 2.794 -13.135 7.098) 15.190 4.035 ( -3.592 -11.757 7.150) 14.222 5.000 ( 4.535 17.393 0.740) 17.990 5.065 ( -2.554 21.170 2.457) 21.464 5.628 ( 24.227 2.435 -9.748) 26.228 5.903 ( 21.224 3.566 -14.104) 25.731 6.163 ( -25.896 0.612 -10.064) 27.789 6.369 ( -23.536 4.486 -16.750) 29.234 6.710 ( 14.043 -2.959 6.314) 15.679 6.960 ( -3.614 -4.256 4.597) 7.232 7.127 ( 1.178 4.586 9.102) 10.260 7.242 ( -5.657 4.291 6.588) 9.686 7.686 ( 4.115 2.081 2.424) 5.210 7.749 ( 1.189 -1.196 4.089) 4.424 7.944 ( -1.779 4.029 3.306) 5.507 8.027 ( -5.517 -0.297 -4.426) 7.079 8.237 ( 1.893 -10.170 3.465) 10.910 8.335 ( -6.308 -8.901 -0.681) 10.931 9.342 ( 9.688 5.831 5.020) 12.372 9.483 ( -2.356 1.792 3.590) 4.653 9.622 ( 3.375 4.604 -1.715) 5.961 9.755 ( -7.043 -0.138 2.065) 7.341 10.158 ( -0.349 -1.854 -0.547) 1.964 10.196 ( -3.232 -1.005 1.104) 3.561 10.887 ( 7.268 -7.562 5.249) 11.728 11.015 ( -3.246 -5.050 7.557) 9.651 11.099 ( 3.733 9.933 10.137) 14.675 11.242 ( -8.518 14.072 13.649) 21.374 12.166 ( 14.769 7.046 -4.085) 16.866 12.398 ( -6.138 5.093 -7.384) 10.868 13.007 ( 16.088 -3.485 -12.411) 20.615 13.155 ( 11.173 -8.768 2.369) 14.399 13.255 ( -6.997 -6.753 -10.151) 14.057 13.445 ( -15.563 -11.156 2.423) 19.302 13.652 ( 9.072 10.902 -14.071) 19.979 13.898 ( -14.855 9.142 -18.130) 25.159 14.669 ( 30.995 4.722 12.434) 33.728 15.009 ( 22.236 3.117 -4.505) 22.901 15.240 ( -23.483 2.992 8.311) 25.089 15.429 ( -17.282 4.868 -3.360) 18.267 16.297 ( 7.751 -4.540 9.295) 12.926 16.444 ( -4.518 -13.934 6.359) 15.969 16.522 ( 4.336 -21.170 2.651) 21.772 16.576 ( -0.656 -12.945 -0.839) 12.989 16.715 ( -1.980 -4.727 4.699) 6.953 16.747 ( -4.947 -5.943 8.738) 11.668 18.817 ( 1.657 11.325 -8.584) 14.307 18.859 ( -2.330 12.375 -7.263) 14.537 19.148 ( 7.850 2.448 -1.223) 8.313 19.306 ( -7.659 1.993 -2.733) 8.373 ======================= Grid point 144 (51/120) ======================= q-point: ( 0.00 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( 0.000 16.126 15.939) 22.673 1.721 ( 0.000 24.937 15.462) 29.342 2.505 ( 0.000 -12.749 -4.427) 13.496 2.835 ( 0.000 15.586 20.758) 25.958 2.976 ( 0.000 -3.930 -7.224) 8.223 3.002 ( 0.000 -13.719 1.799) 13.836 3.192 ( 0.000 8.479 -1.637) 8.636 3.513 ( 0.000 0.448 -11.053) 11.062 3.698 ( 0.000 6.666 -6.528) 9.330 3.826 ( 0.000 0.875 -19.107) 19.127 3.871 ( 0.000 -7.798 -2.128) 8.083 4.478 ( 0.000 -13.305 -6.375) 14.754 4.966 ( 0.000 5.408 4.426) 6.988 5.381 ( 0.000 3.435 8.346) 9.025 5.383 ( 0.000 5.611 16.757) 17.671 5.621 ( 0.000 17.387 -0.058) 17.387 5.775 ( 0.000 -6.193 15.121) 16.340 5.974 ( 0.000 6.660 4.149) 7.847 6.871 ( 0.000 -12.895 4.316) 13.598 7.117 ( 0.000 2.801 -8.315) 8.774 7.259 ( 0.000 -15.930 4.285) 16.497 7.358 ( 0.000 -4.643 -13.624) 14.394 7.941 ( 0.000 6.176 -8.985) 10.903 8.107 ( 0.000 0.893 -2.683) 2.828 8.191 ( 0.000 4.911 0.096) 4.912 8.495 ( 0.000 4.803 -4.368) 6.492 8.530 ( 0.000 -1.667 -0.999) 1.944 8.965 ( 0.000 -1.526 -11.069) 11.173 9.045 ( 0.000 0.336 -5.160) 5.171 9.213 ( 0.000 -11.871 -3.446) 12.361 9.470 ( 0.000 0.436 -7.366) 7.378 9.493 ( 0.000 -2.306 -9.610) 9.882 9.891 ( 0.000 -0.687 6.953) 6.987 10.184 ( 0.000 -11.156 20.693) 23.509 10.753 ( 0.000 -1.291 13.563) 13.624 10.795 ( 0.000 1.489 12.924) 13.010 11.221 ( 0.000 10.311 7.051) 12.491 11.662 ( 0.000 5.104 -4.149) 6.578 11.718 ( 0.000 -3.271 3.602) 4.866 11.956 ( 0.000 10.066 -12.205) 15.820 12.243 ( 0.000 1.726 3.225) 3.658 12.405 ( 0.000 2.516 20.948) 21.099 12.807 ( 0.000 32.201 10.289) 33.805 13.183 ( 0.000 6.045 -18.005) 18.993 13.733 ( 0.000 -9.264 -17.337) 19.657 14.053 ( 0.000 -0.902 -18.516) 18.538 14.354 ( 0.000 -3.592 -0.863) 3.694 15.160 ( 0.000 -21.743 -0.960) 21.764 15.514 ( 0.000 -1.379 10.144) 10.238 15.738 ( 0.000 -8.771 -12.701) 15.435 15.797 ( 0.000 4.412 -11.612) 12.422 16.127 ( 0.000 -8.217 -1.318) 8.322 16.281 ( 0.000 0.161 -11.574) 11.575 16.650 ( 0.000 -4.501 12.919) 13.680 16.673 ( 0.000 -0.818 17.191) 17.210 16.852 ( 0.000 -10.826 -6.309) 12.530 18.821 ( 0.000 3.102 12.884) 13.253 18.971 ( 0.000 -0.059 2.952) 2.953 19.275 ( 0.000 13.397 -0.181) 13.398 19.647 ( 0.000 -0.237 -1.088) 1.114 ======================= Grid point 145 (52/120) ======================= q-point: ( 0.11 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 8.862 12.427 15.873) 22.021 1.781 ( 5.704 22.365 14.362) 27.185 2.511 ( 0.684 -12.071 -3.153) 12.495 2.915 ( 1.208 0.450 1.850) 2.255 2.928 ( -2.975 -5.651 -4.384) 7.746 3.020 ( 4.742 -3.987 11.067) 12.683 3.157 ( -3.056 4.949 -3.474) 6.776 3.535 ( 2.036 3.371 -8.169) 9.069 3.672 ( -2.350 6.288 -7.650) 10.178 3.759 ( -4.617 -1.692 -5.774) 7.585 3.894 ( 0.307 -1.719 -11.423) 11.555 4.409 ( -6.649 -11.284 -5.858) 14.347 4.936 ( -2.464 7.169 5.149) 9.164 5.248 ( -3.620 -0.462 5.323) 6.454 5.414 ( -4.946 9.830 8.142) 13.689 5.630 ( 4.148 13.567 6.234) 15.496 5.922 ( 10.313 3.466 12.512) 16.581 6.066 ( 9.763 0.539 7.927) 12.588 6.918 ( 3.930 -11.798 2.205) 12.629 7.158 ( 2.543 0.433 -6.223) 6.737 7.201 ( -4.674 -13.413 2.332) 14.394 7.372 ( 1.333 -4.238 -12.202) 12.985 7.838 ( -9.597 6.291 -8.793) 14.456 8.057 ( -8.942 6.880 6.151) 12.851 8.070 ( -4.535 -2.469 -10.712) 11.892 8.390 ( -9.662 -1.625 -2.210) 10.044 8.526 ( -3.448 -3.474 1.963) 5.274 8.820 ( -5.951 4.683 -4.590) 8.855 8.997 ( -1.453 -1.280 -1.528) 2.466 9.344 ( 4.645 -0.294 -5.709) 7.366 9.530 ( 4.629 -2.662 -6.854) 8.688 9.671 ( 13.991 0.888 -10.788) 17.689 9.953 ( 5.289 -3.268 6.746) 9.174 10.311 ( 11.304 -14.005 16.226) 24.232 10.657 ( -7.567 -1.546 10.029) 12.658 10.748 ( -4.240 -2.700 10.280) 11.443 11.202 ( -0.277 15.219 6.717) 16.638 11.755 ( 8.087 5.284 -2.230) 9.915 11.950 ( 18.350 -3.372 3.351) 18.956 12.012 ( 5.308 10.270 -12.541) 17.056 12.179 ( -4.674 5.856 2.379) 7.862 12.352 ( -1.666 3.463 15.092) 15.573 12.990 ( 15.039 23.076 14.480) 31.118 13.206 ( 2.734 4.790 -12.829) 13.965 13.729 ( -0.838 -7.314 -17.865) 19.323 14.005 ( -4.003 -4.549 -17.133) 18.173 14.310 ( -4.168 -2.627 0.263) 4.934 15.097 ( -6.673 -8.095 -7.689) 13.007 15.534 ( 3.374 -6.265 9.005) 11.477 15.690 ( -1.155 -10.818 -5.834) 12.345 15.909 ( 5.908 1.215 -11.809) 13.260 16.117 ( -0.960 -11.795 -1.461) 11.924 16.281 ( -0.056 0.570 -9.069) 9.087 16.588 ( -6.100 0.439 18.782) 19.752 16.669 ( 1.020 -4.791 9.257) 10.473 16.881 ( 1.127 -11.188 -4.481) 12.104 18.835 ( 1.524 3.266 10.490) 11.092 18.966 ( -0.208 1.171 1.423) 1.855 19.264 ( -1.075 13.360 -0.604) 13.417 19.628 ( -1.864 -0.070 -1.358) 2.307 ======================= Grid point 146 (53/120) ======================= q-point: ( 0.22 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( 15.028 4.194 13.854) 20.866 1.936 ( 9.364 16.664 11.172) 22.140 2.527 ( 0.784 -11.086 -0.789) 11.141 2.806 ( -6.938 -6.540 -5.876) 11.200 2.916 ( -0.569 -7.855 -5.386) 9.541 3.070 ( -4.055 5.283 -2.596) 7.148 3.119 ( 0.271 -13.333 1.916) 13.473 3.554 ( -8.008 -2.076 -5.811) 10.109 3.614 ( 3.786 7.627 -1.387) 8.627 3.745 ( 1.974 3.336 -4.051) 5.607 3.844 ( -4.026 4.112 -6.387) 8.597 4.227 ( -10.876 -6.879 -4.076) 13.499 4.931 ( 3.057 6.828 0.215) 7.484 5.190 ( -1.384 -1.952 -0.474) 2.439 5.412 ( 5.886 14.533 6.200) 16.861 5.686 ( 1.392 19.083 0.854) 19.153 6.144 ( 11.874 6.405 12.376) 18.308 6.344 ( 16.320 -5.594 11.913) 20.965 6.968 ( -9.191 -11.754 -1.898) 15.042 7.015 ( -1.732 -7.088 -2.486) 7.709 7.274 ( 5.235 -0.572 -4.101) 6.675 7.404 ( 1.573 -3.544 -7.702) 8.623 7.578 ( -15.630 6.762 -6.328) 18.168 7.884 ( -6.284 2.750 -3.268) 7.598 7.993 ( -3.155 -1.327 0.153) 3.426 8.199 ( -8.028 -4.879 0.069) 9.395 8.412 ( -7.723 -2.114 2.642) 8.432 8.606 ( -13.532 -5.711 -1.142) 14.732 9.097 ( 8.355 8.396 3.622) 12.386 9.422 ( 3.693 4.310 -3.378) 6.605 9.632 ( 5.047 -0.528 -3.456) 6.140 9.855 ( 3.588 5.935 -2.603) 7.408 10.090 ( 7.533 -6.139 3.214) 10.235 10.402 ( -7.098 -5.163 9.644) 13.040 10.590 ( 1.013 -6.119 4.263) 7.526 10.715 ( 4.936 -13.448 4.761) 15.096 11.233 ( 3.226 20.150 7.185) 21.634 11.835 ( -2.157 12.046 7.654) 14.434 12.080 ( 0.524 15.679 -6.036) 16.809 12.199 ( 9.538 -0.863 -3.887) 10.336 12.329 ( 16.594 -0.114 -7.937) 18.395 12.465 ( 12.870 -3.796 6.313) 14.830 13.302 ( 8.874 6.013 11.415) 15.659 13.321 ( 13.193 5.946 -2.006) 14.610 13.672 ( -5.113 -1.385 -15.279) 16.171 13.964 ( 2.633 -10.596 -14.696) 18.308 14.218 ( -3.387 1.611 3.362) 5.037 14.925 ( -8.897 9.249 -12.870) 18.175 15.651 ( 6.562 -3.798 7.366) 10.571 15.692 ( 1.352 -21.933 -0.045) 21.975 15.937 ( -4.097 -3.430 -13.136) 14.181 16.117 ( 1.056 -14.007 1.585) 14.136 16.265 ( -1.964 1.242 -2.495) 3.410 16.473 ( -4.432 -0.390 15.656) 16.276 16.680 ( -0.204 -5.173 7.601) 9.196 16.861 ( -3.418 -11.340 -1.220) 11.907 18.884 ( 3.331 4.220 3.610) 6.476 18.977 ( 1.673 3.402 -0.690) 3.854 19.233 ( -2.006 13.117 -1.736) 13.383 19.572 ( -3.786 0.396 -2.059) 4.327 ======================= Grid point 147 (54/120) ======================= q-point: ( 0.33 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( 14.428 0.951 7.705) 16.384 2.134 ( 10.533 4.772 9.030) 14.672 2.543 ( -0.085 -6.432 0.239) 6.437 2.672 ( -5.136 -9.694 -3.316) 11.460 2.867 ( -5.089 -7.687 -8.092) 12.267 3.001 ( -2.451 3.488 -6.971) 8.171 3.122 ( 2.342 -10.724 1.646) 11.100 3.399 ( -6.823 -2.731 -3.243) 8.033 3.606 ( -3.773 2.796 -1.120) 4.828 3.661 ( -7.293 -1.659 -4.612) 8.787 3.831 ( -2.804 0.593 0.339) 2.886 4.022 ( -8.471 -3.547 -1.457) 9.298 5.072 ( 11.577 9.646 -2.004) 15.202 5.280 ( 9.523 0.390 -9.646) 13.561 5.567 ( 6.547 23.708 6.765) 25.508 5.739 ( 7.028 14.097 -7.205) 17.321 6.403 ( 13.869 4.264 11.990) 18.822 6.616 ( -20.985 -6.155 -9.394) 23.801 6.642 ( 10.046 -5.034 5.661) 12.582 6.997 ( -7.004 1.559 -9.877) 12.208 7.250 ( -7.651 3.921 4.448) 9.680 7.361 ( -2.149 1.055 1.996) 3.117 7.460 ( 4.918 -6.621 -1.524) 8.387 7.831 ( 0.712 1.879 -1.327) 2.408 7.961 ( 0.077 -2.502 1.146) 2.753 8.070 ( -5.301 -4.455 1.483) 7.082 8.203 ( -12.947 -5.686 2.510) 14.361 8.355 ( -10.579 -5.176 1.765) 11.909 9.275 ( 9.086 6.349 5.388) 12.325 9.495 ( 3.525 4.910 0.253) 6.050 9.709 ( 2.026 2.347 0.685) 3.176 9.851 ( -3.362 3.226 2.657) 5.363 10.174 ( -0.777 -1.285 1.217) 1.933 10.254 ( -4.187 -0.513 1.960) 4.652 10.611 ( 3.038 -8.281 2.965) 9.306 10.824 ( 2.370 -15.909 2.917) 16.347 11.324 ( 5.676 22.268 9.023) 24.688 11.738 ( -6.337 19.006 11.668) 23.185 12.137 ( 6.746 13.189 -3.484) 15.218 12.449 ( 12.608 -2.356 -9.256) 15.817 12.604 ( 10.072 1.034 -10.582) 14.646 12.704 ( 10.207 -13.027 -0.720) 16.565 13.313 ( -7.171 -4.628 6.241) 10.573 13.514 ( -9.758 -9.454 -11.071) 17.526 13.622 ( 14.321 9.153 -8.635) 19.064 14.176 ( 8.510 -3.037 -11.598) 14.702 14.260 ( 15.339 10.959 9.726) 21.213 14.826 ( 2.206 13.291 -7.028) 15.196 15.629 ( -8.177 0.621 1.629) 8.361 15.778 ( -7.229 -5.945 -4.047) 10.197 15.814 ( 3.083 -26.065 0.324) 26.248 16.099 ( -3.407 -17.184 3.498) 17.864 16.224 ( -0.067 0.987 6.208) 6.287 16.440 ( 0.932 -4.649 8.183) 9.457 16.659 ( -1.839 -5.755 4.674) 7.638 16.746 ( -7.580 -9.818 4.476) 13.186 18.959 ( 3.821 7.210 -4.474) 9.306 19.045 ( 5.016 4.258 -1.324) 6.712 19.187 ( -2.401 11.980 -2.948) 12.569 19.477 ( -5.687 1.063 -2.855) 6.451 ======================= Grid point 148 (55/120) ======================= q-point: ( 0.44 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.297 ( 7.399 0.618 2.702) 7.901 2.388 ( 8.144 -6.984 6.271) 12.427 2.466 ( -2.767 -4.060 -2.735) 5.623 2.611 ( -6.020 -9.295 2.000) 11.254 2.814 ( 3.346 -3.173 -8.631) 9.786 2.929 ( -5.371 0.345 -6.009) 8.067 3.219 ( 5.742 -7.012 0.709) 9.091 3.300 ( -3.041 -2.510 -1.515) 4.224 3.512 ( -4.024 1.977 -0.041) 4.484 3.524 ( -5.477 0.588 -2.353) 5.990 3.773 ( 0.613 -6.857 0.580) 6.908 3.866 ( -7.285 -5.744 0.432) 9.287 5.328 ( 10.651 15.280 -3.673) 18.984 5.436 ( 1.201 14.592 -4.063) 15.195 5.710 ( 14.213 6.852 -10.689) 19.058 5.997 ( 9.132 4.502 -9.705) 14.066 6.187 ( -12.626 4.389 -11.299) 17.503 6.495 ( -20.604 8.837 -11.460) 25.178 6.695 ( 13.553 1.546 7.902) 15.765 6.900 ( -4.768 -2.340 2.910) 6.056 7.212 ( 3.583 4.060 11.085) 12.337 7.311 ( -3.901 2.983 6.292) 7.982 7.605 ( 9.626 -8.053 1.949) 12.701 7.815 ( -7.716 1.241 5.528) 9.573 7.953 ( -1.610 -2.893 1.637) 3.693 7.991 ( -2.740 -8.288 5.952) 10.565 8.036 ( 2.819 -3.570 -2.750) 5.316 8.169 ( -8.333 -6.223 -0.711) 10.424 9.453 ( 8.279 5.054 7.118) 12.031 9.546 ( 0.330 4.700 5.247) 7.052 9.710 ( -0.980 3.052 1.037) 3.368 9.746 ( -5.383 -0.428 2.891) 6.125 10.154 ( 1.097 2.372 -2.054) 3.324 10.202 ( -2.783 2.654 -0.689) 3.907 10.704 ( 5.399 -11.155 3.341) 12.835 10.801 ( -3.780 -13.469 3.458) 14.410 11.454 ( 7.105 23.308 11.068) 26.762 11.599 ( -7.262 22.549 12.112) 26.607 12.334 ( 11.409 9.991 -6.064) 16.333 12.524 ( -5.579 7.219 -10.567) 13.961 12.836 ( 13.541 -17.185 0.284) 21.880 12.900 ( 8.371 -12.078 -9.362) 17.424 13.138 ( -7.566 -9.821 1.544) 12.494 13.242 ( -14.766 -8.887 -8.726) 19.318 13.911 ( 13.014 16.864 -12.759) 24.830 14.129 ( -8.229 15.583 -14.031) 22.526 14.767 ( 27.713 4.177 8.786) 29.371 15.065 ( 16.499 2.171 -3.247) 16.955 15.321 ( -18.824 3.884 6.423) 20.265 15.508 ( -17.975 1.908 -5.223) 18.815 15.907 ( 4.590 -29.648 6.629) 30.725 16.005 ( -5.183 -25.224 5.614) 26.356 16.313 ( 7.827 -1.891 7.159) 10.775 16.450 ( -2.748 -4.222 4.059) 6.470 16.602 ( -3.650 -7.522 5.637) 10.084 16.615 ( -2.707 -7.007 5.668) 9.410 19.034 ( 3.691 10.203 -6.629) 12.715 19.100 ( -2.180 11.410 -6.042) 13.094 19.204 ( 6.247 3.093 -1.854) 7.213 19.347 ( -7.142 1.791 -3.107) 7.992 ======================= Grid point 153 (56/120) ======================= q-point: ( 0.00 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( 0.000 19.373 5.731) 20.202 2.107 ( 0.000 -0.010 2.484) 2.484 2.306 ( 0.000 7.010 7.297) 10.119 2.668 ( 0.000 -19.445 4.522) 19.964 2.919 ( 0.000 -0.768 -9.335) 9.366 2.948 ( 0.000 -2.490 -1.283) 2.801 3.408 ( 0.000 12.859 -1.411) 12.936 3.611 ( 0.000 1.837 -7.101) 7.335 3.692 ( 0.000 -3.935 -2.371) 4.594 3.798 ( 0.000 -4.382 -14.681) 15.321 3.918 ( 0.000 14.312 -6.338) 15.653 4.204 ( 0.000 -15.270 -6.264) 16.504 5.128 ( 0.000 11.582 11.151) 16.077 5.345 ( 0.000 -8.795 18.332) 20.333 5.486 ( 0.000 6.883 12.744) 14.484 5.630 ( 0.000 -8.236 14.573) 16.739 5.943 ( 0.000 15.211 -0.538) 15.220 6.106 ( 0.000 1.384 -0.151) 1.392 6.710 ( 0.000 0.872 5.237) 5.309 6.928 ( 0.000 -17.594 4.571) 18.178 7.186 ( 0.000 4.157 -10.974) 11.735 7.270 ( 0.000 -4.619 -12.430) 13.260 8.035 ( 0.000 3.874 -10.477) 11.170 8.090 ( 0.000 -1.971 -11.138) 11.311 8.306 ( 0.000 6.397 6.629) 9.212 8.432 ( 0.000 -6.781 3.646) 7.699 8.651 ( 0.000 11.435 -2.492) 11.703 8.888 ( 0.000 -11.301 -3.153) 11.732 9.050 ( 0.000 0.127 -7.034) 7.035 9.053 ( 0.000 -1.485 -8.658) 8.784 9.465 ( 0.000 -0.339 -11.948) 11.953 9.472 ( 0.000 -0.425 -11.643) 11.651 9.913 ( 0.000 3.346 14.580) 14.959 10.015 ( 0.000 -7.161 19.220) 20.510 10.751 ( 0.000 0.949 13.956) 13.989 10.781 ( 0.000 -1.862 13.604) 13.731 11.453 ( 0.000 12.188 6.757) 13.936 11.631 ( 0.000 -6.418 4.800) 8.014 11.768 ( 0.000 6.434 -5.765) 8.639 11.917 ( 0.000 -8.491 -5.050) 9.879 12.359 ( 0.000 6.778 3.085) 7.447 12.429 ( 0.000 -0.676 12.507) 12.525 13.331 ( 0.000 9.356 -19.126) 21.292 13.475 ( 0.000 23.396 -6.156) 24.193 13.553 ( 0.000 2.554 -8.029) 8.425 13.988 ( 0.000 -9.701 -10.914) 14.602 14.318 ( 0.000 1.256 1.211) 1.745 14.579 ( 0.000 -29.928 8.309) 31.060 15.554 ( 0.000 5.128 2.318) 5.627 15.661 ( 0.000 -4.536 -9.075) 10.146 15.895 ( 0.000 5.465 -13.087) 14.182 15.996 ( 0.000 -5.531 -8.593) 10.219 16.347 ( 0.000 7.571 -11.604) 13.855 16.535 ( 0.000 -9.767 -6.064) 11.496 16.661 ( 0.000 -0.255 17.944) 17.946 16.684 ( 0.000 -4.180 12.491) 13.172 18.885 ( 0.000 3.496 10.287) 10.865 18.944 ( 0.000 -2.521 6.890) 7.337 19.491 ( 0.000 9.005 -0.745) 9.036 19.612 ( 0.000 -3.847 -1.040) 3.985 ======================= Grid point 154 (57/120) ======================= q-point: ( 0.11 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( 3.512 17.410 6.377) 18.871 2.121 ( 1.306 -0.957 2.377) 2.877 2.328 ( 2.312 6.917 8.100) 10.900 2.666 ( 0.066 -18.244 4.624) 18.822 2.879 ( -3.709 -0.030 -9.279) 9.993 2.938 ( -1.760 -5.861 -4.006) 7.314 3.336 ( -5.833 12.081 -1.370) 13.486 3.570 ( -6.553 -11.440 -1.377) 13.256 3.703 ( 3.373 8.908 -10.038) 13.838 3.808 ( 0.184 -0.601 -13.040) 13.055 3.951 ( 2.319 10.033 -6.019) 11.928 4.182 ( -2.277 -12.589 -5.280) 13.840 5.106 ( -3.516 9.551 9.866) 14.174 5.228 ( -6.165 -2.760 8.958) 11.219 5.555 ( 1.709 6.419 13.205) 14.782 5.694 ( 12.433 -6.480 17.579) 22.485 6.068 ( 8.596 10.066 3.260) 13.633 6.144 ( 3.532 3.988 -0.179) 5.331 6.745 ( 3.061 -2.319 4.332) 5.789 6.898 ( -3.175 -15.149 3.727) 15.921 7.220 ( 3.316 3.657 -10.127) 11.266 7.294 ( 2.307 -4.036 -11.393) 12.305 7.939 ( -8.622 4.449 -9.580) 13.635 8.012 ( -7.155 -3.423 -10.721) 13.336 8.187 ( -9.115 6.453 4.668) 12.105 8.303 ( -10.797 -5.976 0.508) 12.351 8.569 ( -6.056 6.852 -0.524) 9.159 8.736 ( -11.299 -9.366 -1.441) 14.747 9.099 ( 7.694 9.000 -3.791) 12.432 9.268 ( 8.042 -7.924 -4.588) 12.186 9.559 ( 9.365 5.263 -8.614) 13.769 9.655 ( 15.863 -3.430 -12.110) 20.250 9.948 ( 2.640 3.713 13.364) 14.120 10.084 ( 6.757 -9.969 15.763) 19.837 10.652 ( -7.975 0.993 10.678) 13.364 10.690 ( -7.388 -2.867 10.644) 13.270 11.516 ( 5.077 16.642 6.368) 18.528 11.778 ( 10.922 -8.149 3.023) 13.959 11.894 ( 11.514 1.782 -1.984) 11.819 11.977 ( 6.778 -5.934 -5.958) 10.801 12.345 ( -0.664 8.240 1.090) 8.339 12.421 ( 0.173 0.431 10.358) 10.368 13.338 ( 1.410 9.209 -14.702) 17.405 13.524 ( 4.279 21.668 -1.498) 22.137 13.545 ( -0.739 -3.480 -11.034) 11.594 13.903 ( -7.846 -8.704 -8.923) 14.729 14.311 ( 0.059 5.073 2.321) 5.579 14.644 ( 6.067 -29.332 6.881) 30.733 15.553 ( -2.348 6.811 -3.971) 8.227 15.647 ( -0.055 -0.915 -10.939) 10.978 15.898 ( 1.456 -2.110 -5.099) 5.707 15.931 ( -5.970 -6.384 -7.341) 11.414 16.377 ( 2.079 9.213 -9.175) 13.167 16.567 ( 2.179 -8.122 -2.580) 8.796 16.608 ( -4.347 1.797 17.408) 18.032 16.679 ( -1.380 -7.524 8.863) 11.707 18.901 ( 1.732 3.469 8.234) 9.102 18.956 ( 1.285 -2.004 5.093) 5.622 19.479 ( -1.246 8.882 -1.107) 9.037 19.596 ( -1.538 -3.676 -1.344) 4.205 ======================= Grid point 155 (58/120) ======================= q-point: ( 0.22 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( 6.896 11.231 6.919) 14.885 2.155 ( 2.133 -3.813 1.670) 4.678 2.403 ( 5.055 8.223 9.770) 13.734 2.666 ( -1.617 -11.754 4.518) 12.696 2.797 ( -2.616 -1.856 -10.069) 10.567 2.870 ( -4.192 -9.577 -6.325) 12.219 3.215 ( -5.778 9.495 -1.372) 11.199 3.414 ( -7.921 -10.696 -0.984) 13.346 3.722 ( -2.923 4.683 -10.632) 11.980 3.779 ( -3.725 -0.537 -10.795) 11.433 3.980 ( -0.260 7.655 -3.728) 8.519 4.108 ( -5.459 -6.094 -3.337) 8.836 5.059 ( 1.736 5.949 1.700) 6.426 5.144 ( -0.403 -3.156 0.469) 3.216 5.717 ( 13.449 17.911 11.870) 25.349 5.980 ( 12.786 1.279 15.806) 20.370 6.176 ( 4.381 0.619 2.681) 5.174 6.275 ( 7.771 -0.164 3.520) 8.532 6.783 ( -4.330 -5.108 0.514) 6.716 6.837 ( 2.438 -8.878 1.145) 9.278 7.307 ( 4.821 2.636 -7.031) 8.923 7.352 ( 3.005 -2.239 -7.267) 8.176 7.713 ( -14.048 7.286 -8.792) 18.103 7.843 ( -8.857 -5.832 -9.756) 14.410 8.017 ( -6.488 3.171 3.678) 8.104 8.096 ( -8.561 -5.154 -0.402) 10.001 8.416 ( -9.514 2.613 2.590) 10.201 8.498 ( -11.924 -5.427 2.770) 13.391 9.244 ( 6.851 7.776 -0.026) 10.364 9.389 ( 5.137 -6.817 -2.481) 8.889 9.752 ( 7.585 10.997 2.484) 13.588 9.945 ( 5.105 -8.171 7.282) 12.077 10.010 ( 8.712 9.423 -4.038) 13.453 10.232 ( 5.006 -12.330 5.992) 14.594 10.514 ( -3.551 -0.782 4.926) 6.123 10.551 ( -5.214 -4.602 5.882) 9.108 11.630 ( 6.364 20.841 5.327) 22.433 11.973 ( 8.994 -10.103 0.541) 13.537 12.065 ( 4.536 2.834 1.865) 5.664 12.195 ( 9.626 -6.104 -2.361) 11.640 12.383 ( 6.113 10.242 -3.621) 12.465 12.498 ( 7.919 -0.272 0.228) 7.927 13.423 ( 6.443 7.230 -8.181) 12.678 13.473 ( -6.316 5.735 -3.252) 9.130 13.640 ( 1.746 -0.560 -9.876) 10.045 13.752 ( 0.874 -10.498 -2.594) 10.849 14.368 ( 6.601 16.177 6.044) 18.488 14.805 ( 9.688 -24.746 5.499) 27.138 15.418 ( -9.493 7.208 -12.407) 17.205 15.652 ( -3.453 -12.022 -12.573) 17.736 15.822 ( -1.832 3.755 0.328) 4.191 15.956 ( 3.216 -7.532 -0.633) 8.214 16.378 ( -3.108 9.761 0.677) 10.266 16.495 ( -6.540 1.540 15.727) 17.102 16.588 ( -0.519 -4.442 4.323) 6.221 16.635 ( -2.464 -10.894 0.206) 11.171 18.959 ( 4.079 3.415 3.194) 6.205 19.001 ( 3.350 -0.742 1.267) 3.658 19.441 ( -2.522 8.449 -2.088) 9.061 19.549 ( -3.166 -3.155 -2.151) 4.961 ======================= Grid point 156 (59/120) ======================= q-point: ( 0.33 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.115 ( 8.942 3.398 5.612) 11.090 2.211 ( 3.551 -3.639 0.641) 5.125 2.495 ( 1.893 3.914 9.577) 10.518 2.563 ( -6.740 -2.808 0.005) 7.302 2.761 ( -0.701 -1.129 -9.870) 9.959 2.884 ( 5.759 -12.136 -1.166) 13.483 3.110 ( -4.878 7.271 -1.724) 8.924 3.272 ( -6.102 -9.178 -0.686) 11.042 3.617 ( -6.033 2.455 -6.335) 9.086 3.670 ( -5.563 -1.805 -6.888) 9.036 3.885 ( -9.148 4.552 -1.210) 10.289 3.964 ( -8.692 -3.385 -1.983) 9.537 5.212 ( 13.130 4.948 -6.666) 15.534 5.270 ( 12.260 -1.512 -9.873) 15.813 6.007 ( 7.484 21.713 8.718) 24.565 6.052 ( 2.248 17.653 -4.270) 18.300 6.313 ( -2.585 -11.439 4.512) 12.565 6.414 ( 12.433 -16.440 6.576) 21.636 6.715 ( 1.687 10.248 -0.736) 10.412 6.910 ( 2.015 -9.123 -3.435) 9.955 7.374 ( -1.949 0.239 1.581) 2.521 7.378 ( -1.305 0.152 2.044) 2.430 7.428 ( -8.299 11.761 -5.270) 15.328 7.702 ( -4.387 -13.925 -5.907) 15.749 7.937 ( -2.102 0.242 0.880) 2.291 7.977 ( -3.364 -3.808 -0.161) 5.084 8.193 ( -11.654 3.846 4.798) 13.177 8.277 ( -10.199 -4.181 5.596) 12.362 9.385 ( 7.381 5.874 2.605) 9.786 9.492 ( 5.301 -4.666 0.255) 7.067 9.814 ( -1.688 7.189 10.836) 13.113 9.896 ( -6.006 -0.535 10.424) 12.042 10.202 ( 5.228 4.800 -5.221) 8.811 10.265 ( 2.753 0.497 -2.300) 3.621 10.473 ( -1.420 -4.611 2.647) 5.504 10.545 ( 2.019 -11.919 1.737) 12.213 11.773 ( 7.813 24.068 6.281) 26.072 12.087 ( 0.708 16.522 4.867) 17.239 12.194 ( 10.338 -18.259 2.367) 21.115 12.324 ( 6.601 -2.963 0.764) 7.276 12.527 ( 5.029 1.621 -8.478) 9.990 12.652 ( 6.403 -2.800 -9.940) 12.151 13.248 ( -14.269 0.887 -0.841) 14.321 13.352 ( -13.160 -7.948 -12.745) 19.969 13.833 ( 21.373 12.397 -5.279) 25.266 14.053 ( 22.004 -9.781 -5.068) 24.607 14.566 ( 11.800 21.822 8.644) 26.271 15.020 ( 11.377 -11.010 5.242) 16.677 15.215 ( -9.929 -4.376 -9.397) 14.354 15.497 ( -9.203 -19.669 -10.551) 24.142 15.811 ( -3.986 8.158 2.235) 9.351 15.951 ( -6.263 -5.526 1.636) 8.511 16.287 ( -2.911 5.757 9.562) 11.535 16.380 ( -3.012 -2.577 11.562) 12.223 16.558 ( -2.482 -4.119 4.308) 6.456 16.573 ( -4.079 -6.516 0.651) 7.715 19.061 ( 5.803 3.564 -2.132) 7.135 19.091 ( 5.575 0.465 -1.704) 5.848 19.377 ( -3.814 7.560 -3.373) 9.115 19.469 ( -4.859 -2.291 -3.147) 6.226 ======================= Grid point 157 (60/120) ======================= q-point: ( 0.44 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( 6.457 -0.653 2.955) 7.131 2.307 ( 6.584 -2.590 0.521) 7.094 2.413 ( -6.109 -0.886 -0.345) 6.182 2.456 ( -5.949 -5.695 2.229) 8.532 2.844 ( 7.438 6.331 -3.414) 10.347 2.996 ( -6.370 5.730 -0.295) 8.573 3.024 ( 6.752 -10.574 -0.971) 12.583 3.159 ( -5.954 -9.820 0.292) 11.488 3.550 ( 0.883 4.559 -2.795) 5.420 3.618 ( -0.276 1.147 -3.016) 3.238 3.692 ( -6.678 0.328 -1.149) 6.784 3.774 ( -9.187 -4.918 -1.793) 10.574 5.534 ( 16.623 6.247 -11.083) 20.932 5.575 ( 16.695 1.734 -12.786) 21.100 5.863 ( -10.907 7.583 -10.336) 16.831 5.980 ( -16.801 -4.728 -10.670) 20.457 6.422 ( 15.060 16.994 0.920) 22.725 6.639 ( 4.202 -0.273 2.086) 4.700 6.745 ( -1.806 4.935 2.298) 5.736 6.843 ( -5.667 -4.002 -1.719) 7.148 7.294 ( 2.065 5.296 10.039) 11.536 7.373 ( -2.437 4.711 5.181) 7.414 7.425 ( 5.354 -8.213 4.603) 10.831 7.597 ( -8.325 -16.438 2.916) 18.655 7.935 ( 2.097 0.623 -0.265) 2.204 7.962 ( 1.801 -0.356 1.725) 2.519 8.013 ( -5.036 2.504 2.692) 6.235 8.089 ( -8.292 -3.882 3.325) 9.741 9.540 ( 8.027 4.409 5.654) 10.762 9.603 ( 5.329 -0.731 3.983) 6.693 9.717 ( -6.555 1.131 8.306) 10.641 9.752 ( -7.234 -1.029 6.423) 9.729 10.267 ( 3.181 9.232 -2.614) 10.108 10.314 ( -0.468 8.730 -1.629) 8.893 10.485 ( 2.685 -11.248 0.756) 11.589 10.543 ( -2.122 -13.118 0.971) 13.324 11.930 ( 7.425 25.968 8.268) 28.246 12.051 ( -4.192 23.959 8.344) 25.714 12.383 ( 7.396 -17.250 2.058) 18.881 12.459 ( 1.944 -18.353 4.192) 18.926 12.621 ( 9.441 8.218 -10.467) 16.317 12.786 ( 5.893 -1.662 -14.374) 15.624 12.947 ( -12.562 -4.312 -2.321) 13.482 13.069 ( -13.919 -10.003 -12.085) 20.972 14.277 ( 19.677 20.347 -9.939) 30.000 14.450 ( 9.433 12.739 -10.124) 18.809 14.760 ( 8.905 -2.023 -1.490) 9.253 15.016 ( -11.029 -15.209 -8.396) 20.578 15.261 ( 12.213 -1.471 6.725) 14.020 15.420 ( 5.481 -14.126 3.509) 15.553 15.591 ( -15.251 3.566 8.759) 17.946 15.704 ( -15.691 -7.333 8.737) 19.399 16.323 ( 5.289 2.897 6.991) 9.233 16.395 ( 2.184 -2.573 5.137) 6.146 16.468 ( -4.744 -4.177 5.444) 8.342 16.497 ( -3.871 -5.097 3.061) 7.095 19.178 ( 5.713 4.850 -4.693) 8.842 19.218 ( 6.578 0.691 -3.540) 7.502 19.290 ( -4.670 5.740 -4.324) 8.570 19.356 ( -6.299 -1.204 -3.764) 7.436 ======================= Grid point 189 (61/120) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( 0.000 0.000 25.626) 25.626 1.766 ( 0.000 0.000 26.345) 26.345 2.561 ( 0.000 0.000 -13.587) 13.587 2.825 ( 0.000 0.000 12.002) 12.002 2.906 ( 0.000 0.000 5.475) 5.475 3.184 ( 0.000 0.000 -7.514) 7.514 3.329 ( 0.000 0.000 4.733) 4.733 3.333 ( 0.000 0.000 -18.959) 18.959 3.565 ( 0.000 0.000 -9.762) 9.762 3.589 ( 0.000 0.000 5.060) 5.060 3.798 ( 0.000 0.000 2.043) 2.043 4.689 ( 0.000 0.000 -6.946) 6.946 4.833 ( 0.000 0.000 0.792) 0.792 5.072 ( 0.000 0.000 -1.861) 1.861 5.491 ( 0.000 0.000 15.904) 15.904 5.502 ( 0.000 0.000 5.885) 5.885 6.197 ( 0.000 0.000 17.008) 17.008 6.213 ( 0.000 0.000 15.175) 15.175 6.888 ( 0.000 0.000 -6.056) 6.056 7.250 ( 0.000 0.000 -15.490) 15.490 7.262 ( 0.000 0.000 0.340) 0.340 7.544 ( 0.000 0.000 -4.147) 4.147 7.563 ( 0.000 0.000 -5.259) 5.259 7.726 ( 0.000 0.000 -28.245) 28.245 8.132 ( 0.000 0.000 0.481) 0.481 8.210 ( 0.000 0.000 -7.911) 7.911 8.503 ( 0.000 0.000 9.984) 9.984 8.951 ( 0.000 0.000 -3.417) 3.417 9.017 ( 0.000 0.000 -6.454) 6.454 9.374 ( 0.000 0.000 -6.398) 6.398 9.377 ( 0.000 0.000 -7.783) 7.783 9.409 ( 0.000 0.000 -4.424) 4.424 10.014 ( 0.000 0.000 7.757) 7.757 10.793 ( 0.000 0.000 -9.579) 9.579 10.917 ( 0.000 0.000 16.806) 16.806 11.136 ( 0.000 0.000 2.195) 2.195 11.148 ( 0.000 0.000 18.407) 18.407 11.244 ( 0.000 0.000 6.361) 6.361 11.543 ( 0.000 0.000 1.593) 1.593 11.831 ( 0.000 0.000 2.978) 2.978 12.124 ( 0.000 0.000 11.140) 11.140 12.660 ( 0.000 0.000 10.085) 10.085 12.746 ( 0.000 0.000 -17.409) 17.409 12.922 ( 0.000 0.000 33.546) 33.546 13.561 ( 0.000 0.000 -16.970) 16.970 13.653 ( 0.000 0.000 -20.078) 20.078 14.448 ( 0.000 0.000 5.028) 5.028 14.712 ( 0.000 0.000 -28.707) 28.707 15.347 ( 0.000 0.000 -16.629) 16.629 15.962 ( 0.000 0.000 -19.974) 19.974 16.116 ( 0.000 0.000 14.198) 14.198 16.335 ( 0.000 0.000 6.851) 6.851 16.523 ( 0.000 0.000 2.649) 2.649 16.820 ( 0.000 0.000 -4.392) 4.392 16.911 ( 0.000 0.000 10.014) 10.014 17.069 ( 0.000 0.000 1.535) 1.535 18.863 ( 0.000 0.000 -0.581) 0.581 18.887 ( 0.000 0.000 -0.947) 0.947 19.067 ( 0.000 0.000 13.979) 13.979 19.602 ( 0.000 0.000 -1.914) 1.914 ======================= Grid point 190 (62/120) ======================= q-point: ( 0.11 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( 5.648 0.000 21.967) 22.681 1.886 ( 11.267 0.000 23.483) 26.046 2.563 ( 0.497 0.000 -12.531) 12.541 2.925 ( 1.516 0.000 5.914) 6.105 2.957 ( 9.082 0.000 0.043) 9.082 3.161 ( 0.621 0.000 5.486) 5.521 3.297 ( -3.427 0.000 -17.575) 17.906 3.386 ( 4.979 0.000 -5.137) 7.154 3.517 ( -4.850 0.000 -10.237) 11.328 3.520 ( -6.241 0.000 8.445) 10.501 3.796 ( 0.432 0.000 4.545) 4.565 4.611 ( -7.455 0.000 -6.181) 9.684 4.804 ( -2.659 0.000 1.265) 2.944 5.044 ( -2.646 0.000 -1.062) 2.851 5.423 ( -4.617 0.000 12.886) 13.688 5.424 ( -6.651 0.000 7.081) 9.714 6.244 ( 4.024 0.000 15.463) 15.978 6.358 ( 12.099 0.000 12.348) 17.287 6.891 ( -0.362 0.000 -6.150) 6.161 7.236 ( 0.141 0.000 -11.242) 11.243 7.289 ( -3.028 0.000 -7.891) 8.452 7.475 ( -2.703 0.000 -9.786) 10.153 7.494 ( -4.900 0.000 -4.510) 6.660 7.796 ( 4.275 0.000 -17.096) 17.623 7.913 ( -11.219 0.000 1.968) 11.390 8.311 ( -0.665 0.000 -6.699) 6.731 8.609 ( 11.374 0.000 10.753) 15.652 8.810 ( -8.427 0.000 1.027) 8.490 8.977 ( -8.378 0.000 -3.656) 9.141 9.314 ( -3.545 0.000 -5.645) 6.666 9.424 ( 4.099 0.000 -7.256) 8.334 9.485 ( 7.098 0.000 -7.855) 10.587 10.120 ( 8.765 0.000 5.675) 10.441 10.850 ( -2.549 0.000 -6.435) 6.921 10.933 ( 1.950 0.000 16.849) 16.961 11.023 ( -4.722 0.000 8.944) 10.114 11.208 ( -0.652 0.000 8.116) 8.142 11.229 ( 8.394 0.000 3.766) 9.200 11.606 ( 6.655 0.000 -1.661) 6.859 12.011 ( -9.241 0.000 13.807) 16.614 12.039 ( 15.410 0.000 2.601) 15.628 12.640 ( 1.918 0.000 6.282) 6.568 12.883 ( 9.988 0.000 -12.184) 15.755 13.145 ( 19.914 0.000 29.772) 35.818 13.501 ( -5.748 0.000 -16.776) 17.734 13.669 ( 1.455 0.000 -21.629) 21.678 14.442 ( -0.304 0.000 8.139) 8.145 14.536 ( -14.757 0.000 -25.651) 29.592 15.466 ( 8.835 0.000 -17.288) 19.414 15.914 ( -3.162 0.000 -2.799) 4.223 16.129 ( 0.677 0.000 -1.267) 1.437 16.424 ( 7.253 0.000 4.462) 8.516 16.551 ( 2.686 0.000 2.650) 3.773 16.825 ( 0.492 0.000 -3.862) 3.893 16.863 ( -3.880 0.000 12.232) 12.833 17.082 ( 0.850 0.000 0.264) 0.891 18.820 ( -6.077 0.000 -1.219) 6.198 18.835 ( -2.784 0.000 -1.265) 3.058 19.055 ( -1.110 0.000 12.762) 12.810 19.574 ( -2.744 0.000 -2.197) 3.516 ======================= Grid point 191 (63/120) ======================= q-point: ( 0.22 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( 8.715 0.000 13.644) 16.190 2.174 ( 16.166 0.000 16.979) 23.445 2.585 ( 1.524 0.000 -13.070) 13.159 2.940 ( -1.012 0.000 4.875) 4.979 2.958 ( -5.161 0.000 -3.228) 6.087 3.219 ( -3.579 0.000 -12.504) 13.007 3.287 ( -1.809 0.000 -5.069) 5.382 3.373 ( -8.852 0.000 -9.081) 12.681 3.413 ( 4.377 0.000 9.547) 10.502 3.512 ( 4.062 0.000 -8.381) 9.313 3.878 ( 10.994 0.000 16.000) 19.414 4.424 ( -9.803 0.000 -3.190) 10.309 4.753 ( -1.583 0.000 -0.003) 1.583 4.977 ( -3.745 0.000 -0.423) 3.768 5.283 ( -6.670 0.000 5.912) 8.913 5.367 ( -0.350 0.000 7.192) 7.200 6.343 ( 5.750 0.000 13.345) 14.531 6.567 ( 2.994 0.000 -6.226) 6.908 6.872 ( 1.854 0.000 4.734) 5.085 7.049 ( -17.566 0.000 -16.726) 24.255 7.252 ( 0.482 0.000 -10.933) 10.944 7.388 ( -4.086 0.000 -0.618) 4.133 7.543 ( 6.203 0.000 -2.099) 6.549 7.741 ( -6.008 0.000 4.844) 7.718 7.866 ( 2.728 0.000 -9.753) 10.128 8.227 ( -6.337 0.000 -2.952) 6.991 8.661 ( -6.486 0.000 3.939) 7.588 8.751 ( -12.062 0.000 -0.484) 12.072 8.878 ( 14.060 0.000 8.396) 16.376 9.289 ( 1.615 0.000 -3.513) 3.867 9.509 ( 3.665 0.000 -5.258) 6.409 9.639 ( 7.274 0.000 -8.552) 11.227 10.281 ( 5.350 0.000 2.862) 6.068 10.636 ( -13.766 0.000 2.400) 13.974 10.947 ( -2.836 0.000 6.961) 7.516 10.996 ( 4.122 0.000 17.808) 18.278 11.319 ( 6.953 0.000 0.617) 6.980 11.444 ( 12.800 0.000 3.900) 13.380 11.809 ( -9.682 0.000 16.195) 18.868 11.816 ( 13.125 0.000 -7.349) 15.042 12.294 ( 9.926 0.000 -0.445) 9.936 12.801 ( 13.129 0.000 3.455) 13.576 13.084 ( 9.116 0.000 -11.053) 14.327 13.345 ( -9.163 0.000 -14.865) 17.462 13.641 ( 28.016 0.000 22.181) 35.733 13.692 ( -0.272 0.000 -25.207) 25.209 14.198 ( -17.947 0.000 -20.813) 27.483 14.471 ( 4.829 0.000 16.633) 17.319 15.604 ( 3.521 0.000 -14.309) 14.736 15.864 ( -2.418 0.000 10.524) 10.798 16.130 ( -0.137 0.000 -9.842) 9.843 16.568 ( 6.118 0.000 -0.617) 6.149 16.624 ( 4.390 0.000 2.732) 5.170 16.796 ( -1.942 0.000 13.986) 14.120 16.841 ( 1.070 0.000 -2.476) 2.697 17.087 ( -0.618 0.000 0.353) 0.712 18.674 ( -7.598 0.000 -2.802) 8.098 18.759 ( -4.681 0.000 -3.486) 5.836 19.033 ( -0.796 0.000 9.196) 9.231 19.494 ( -5.190 0.000 -2.901) 5.946 ======================= Grid point 192 (64/120) ======================= q-point: ( 0.33 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( 11.091 0.000 4.280) 11.888 2.476 ( 12.473 0.000 8.186) 14.919 2.593 ( -2.102 0.000 -13.162) 13.329 2.871 ( -5.195 0.000 -0.091) 5.196 2.875 ( -1.604 0.000 -1.806) 2.415 3.131 ( -5.399 0.000 -5.152) 7.462 3.152 ( -7.418 0.000 -0.529) 7.437 3.248 ( -2.148 0.000 -2.431) 3.244 3.464 ( -1.672 0.000 -0.993) 1.945 3.524 ( -2.583 0.000 -8.722) 9.097 4.230 ( 17.462 0.000 16.754) 24.200 4.298 ( 0.131 0.000 3.744) 3.746 4.748 ( 0.745 0.000 -2.514) 2.622 4.899 ( -3.975 0.000 -0.492) 4.005 5.198 ( 0.358 0.000 -1.117) 1.173 5.426 ( 6.659 0.000 0.555) 6.682 6.371 ( -17.453 0.000 -19.978) 26.528 6.400 ( -8.420 0.000 -0.553) 8.438 6.715 ( -6.637 0.000 -5.689) 8.742 7.050 ( 11.596 0.000 14.566) 18.618 7.229 ( -3.531 0.000 -6.380) 7.292 7.345 ( -0.989 0.000 4.223) 4.337 7.669 ( -0.987 0.000 4.375) 4.485 7.670 ( 6.288 0.000 -1.752) 6.527 7.905 ( 0.856 0.000 -7.848) 7.894 8.075 ( -8.700 0.000 -0.906) 8.747 8.531 ( -7.608 0.000 5.016) 9.113 8.556 ( -5.658 0.000 1.454) 5.842 9.146 ( 12.373 0.000 7.002) 14.217 9.385 ( 7.743 0.000 -0.460) 7.757 9.549 ( -0.015 0.000 -1.919) 1.919 9.759 ( 4.240 0.000 -6.014) 7.359 10.289 ( -4.600 0.000 0.705) 4.654 10.368 ( -11.333 0.000 1.569) 11.441 10.979 ( 5.501 0.000 9.586) 11.052 11.094 ( 5.725 0.000 17.582) 18.490 11.368 ( -2.148 0.000 5.064) 5.501 11.597 ( -9.821 0.000 14.495) 17.509 11.738 ( 15.318 0.000 3.030) 15.615 12.108 ( 13.237 0.000 -8.339) 15.645 12.516 ( 13.192 0.000 -7.017) 14.942 13.045 ( 8.428 0.000 -1.915) 8.642 13.168 ( -6.939 0.000 -14.534) 16.105 13.224 ( 5.078 0.000 -9.847) 11.079 13.620 ( -6.743 0.000 -22.544) 23.531 13.802 ( -18.446 0.000 -20.952) 27.915 14.260 ( 29.957 0.000 19.258) 35.613 14.692 ( 17.080 0.000 19.622) 26.015 15.571 ( -7.296 0.000 -7.313) 10.331 15.753 ( -9.839 0.000 12.824) 16.164 16.180 ( 6.165 0.000 -7.716) 9.876 16.631 ( -0.423 0.000 -2.905) 2.935 16.718 ( 4.750 0.000 2.790) 5.509 16.804 ( 2.680 0.000 11.767) 12.069 16.861 ( 0.633 0.000 -0.561) 0.846 17.049 ( -3.303 0.000 4.377) 5.483 18.547 ( -4.497 0.000 -6.218) 7.674 18.656 ( -5.313 0.000 -6.266) 8.215 19.038 ( 1.654 0.000 4.034) 4.360 19.371 ( -6.861 0.000 -3.537) 7.719 ======================= Grid point 193 (65/120) ======================= q-point: ( 0.44 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.255 ( 12.084 0.000 -3.847) 12.682 2.475 ( -9.168 0.000 -9.505) 13.206 2.641 ( 5.100 0.000 -1.434) 5.298 2.749 ( -6.325 0.000 -3.579) 7.268 2.908 ( 4.145 0.000 -3.171) 5.219 3.015 ( -6.213 0.000 -1.747) 6.454 3.118 ( 4.051 0.000 2.842) 4.948 3.207 ( -3.322 0.000 2.645) 4.247 3.419 ( -1.258 0.000 -2.329) 2.647 3.445 ( -3.709 0.000 -5.283) 6.455 4.350 ( 5.989 0.000 10.045) 11.695 4.441 ( -0.136 0.000 15.662) 15.663 4.773 ( 1.778 0.000 -1.958) 2.645 4.824 ( -3.304 0.000 -0.895) 3.423 5.417 ( 21.880 0.000 -10.928) 24.458 5.642 ( 14.707 0.000 -8.251) 16.864 5.950 ( -28.223 0.000 -13.815) 31.422 5.990 ( -19.212 0.000 -15.843) 24.902 6.855 ( 12.432 0.000 5.631) 13.647 7.092 ( -10.018 0.000 0.536) 10.032 7.238 ( 6.460 0.000 11.403) 13.106 7.318 ( -2.160 0.000 7.661) 7.960 7.720 ( 6.175 0.000 2.676) 6.730 7.792 ( 5.646 0.000 -4.408) 7.163 7.884 ( -3.100 0.000 -7.522) 8.136 7.888 ( -9.600 0.000 0.948) 9.646 8.437 ( -1.136 0.000 5.033) 5.159 8.467 ( -3.398 0.000 3.522) 4.894 9.363 ( 9.060 0.000 4.894) 10.297 9.502 ( -4.705 0.000 1.784) 5.032 9.577 ( 10.714 0.000 1.047) 10.765 9.761 ( -5.455 0.000 -1.132) 5.571 10.173 ( -2.042 0.000 -0.825) 2.202 10.223 ( -5.193 0.000 -0.501) 5.217 11.120 ( 7.758 0.000 9.875) 12.558 11.228 ( 7.706 0.000 16.499) 18.210 11.269 ( -6.756 0.000 8.806) 11.099 11.401 ( -9.377 0.000 15.719) 18.304 12.047 ( 14.152 0.000 -1.381) 14.220 12.236 ( -2.458 0.000 -5.333) 5.872 12.804 ( 14.595 0.000 -11.064) 18.314 13.048 ( -7.940 0.000 -9.968) 12.744 13.157 ( 7.571 0.000 -16.097) 17.788 13.339 ( 6.512 0.000 -7.477) 9.915 13.431 ( -17.554 0.000 -18.230) 25.307 13.471 ( -7.019 0.000 -13.256) 15.000 14.845 ( 27.113 0.000 10.889) 29.217 15.091 ( 20.902 0.000 15.548) 26.051 15.309 ( -18.596 0.000 1.724) 18.675 15.478 ( -17.067 0.000 12.469) 21.137 16.358 ( 10.437 0.000 -4.183) 11.244 16.549 ( -7.549 0.000 -3.747) 8.428 16.804 ( 3.608 0.000 2.465) 4.370 16.855 ( -1.410 0.000 1.349) 1.951 16.878 ( 4.176 0.000 10.027) 10.862 16.966 ( -4.528 0.000 8.936) 10.018 18.507 ( 0.544 0.000 -8.842) 8.858 18.558 ( -4.118 0.000 -8.571) 9.509 19.105 ( 5.015 0.000 -0.699) 5.064 19.229 ( -7.009 0.000 -3.181) 7.697 ======================= Grid point 198 (66/120) ======================= q-point: ( 0.00 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( 0.000 12.310 22.838) 25.944 1.745 ( 0.000 -0.692 23.846) 23.856 2.508 ( 0.000 -4.869 -11.291) 12.296 2.947 ( 0.000 2.347 2.576) 3.485 2.948 ( 0.000 10.700 4.781) 11.719 3.165 ( 0.000 -8.040 -3.251) 8.672 3.229 ( 0.000 1.512 -0.477) 1.585 3.276 ( 0.000 -13.834 -6.454) 15.265 3.441 ( 0.000 4.146 -11.608) 12.326 3.678 ( 0.000 -4.592 0.296) 4.602 3.817 ( 0.000 3.154 -2.180) 3.834 4.566 ( 0.000 -10.406 -7.740) 12.969 4.922 ( 0.000 8.662 3.628) 9.391 5.267 ( 0.000 17.182 0.209) 17.183 5.487 ( 0.000 0.424 8.959) 8.969 5.553 ( 0.000 6.355 14.987) 16.279 6.161 ( 0.000 -3.208 16.576) 16.884 6.203 ( 0.000 -1.809 15.914) 16.016 6.891 ( 0.000 0.307 -6.868) 6.875 7.185 ( 0.000 -7.877 1.019) 7.943 7.192 ( 0.000 -4.238 -13.040) 13.712 7.483 ( 0.000 -8.114 -4.793) 9.424 7.638 ( 0.000 6.745 -8.156) 10.584 7.731 ( 0.000 0.525 -27.460) 27.465 8.202 ( 0.000 7.023 1.244) 7.132 8.305 ( 0.000 9.025 -7.678) 11.849 8.470 ( 0.000 -2.904 7.955) 8.468 8.924 ( 0.000 -8.459 -6.213) 10.495 8.963 ( 0.000 0.680 -3.052) 3.127 9.312 ( 0.000 -6.824 -5.629) 8.846 9.340 ( 0.000 -3.006 -7.395) 7.982 9.388 ( 0.000 -2.229 -6.952) 7.300 10.036 ( 0.000 2.410 9.594) 9.892 10.645 ( 0.000 -9.794 1.606) 9.925 11.000 ( 0.000 7.257 17.202) 18.670 11.088 ( 0.000 -2.244 16.315) 16.469 11.245 ( 0.000 1.119 5.998) 6.101 11.403 ( 0.000 17.838 -6.174) 18.876 11.556 ( 0.000 1.308 0.348) 1.353 11.817 ( 0.000 -1.164 3.676) 3.855 12.240 ( 0.000 8.870 6.779) 11.164 12.699 ( 0.000 6.458 12.014) 13.640 12.761 ( 0.000 1.462 -16.866) 16.929 12.879 ( 0.000 -4.045 25.269) 25.591 13.533 ( 0.000 -3.161 -15.650) 15.966 13.708 ( 0.000 5.397 -12.921) 14.003 14.437 ( 0.000 -0.804 5.981) 6.035 14.789 ( 0.000 7.574 -27.640) 28.659 15.389 ( 0.000 4.338 -16.595) 17.153 15.952 ( 0.000 -1.085 -19.731) 19.760 15.978 ( 0.000 -12.977 12.851) 18.263 16.175 ( 0.000 -21.198 6.798) 22.262 16.361 ( 0.000 -9.132 2.272) 9.410 16.751 ( 0.000 -7.051 -7.046) 9.968 16.940 ( 0.000 1.527 10.936) 11.042 17.044 ( 0.000 -2.312 5.678) 6.131 18.937 ( 0.000 4.412 -0.316) 4.424 18.947 ( 0.000 6.429 1.727) 6.657 19.111 ( 0.000 5.580 10.643) 12.017 19.610 ( 0.000 0.691 -2.007) 2.122 ======================= Grid point 199 (67/120) ======================= q-point: ( 0.11 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( 4.494 11.014 19.354) 22.717 1.858 ( 10.704 -1.583 21.758) 24.300 2.522 ( 1.435 -4.001 -10.874) 11.675 2.898 ( -3.532 -2.290 -0.059) 4.210 3.040 ( 3.451 5.107 -1.977) 6.473 3.153 ( 1.246 -4.013 -2.252) 4.767 3.220 ( -1.796 -10.867 7.533) 13.344 3.315 ( 4.893 3.215 -11.828) 13.198 3.456 ( 1.442 1.582 -7.762) 8.052 3.610 ( -6.034 -1.247 -1.816) 6.424 3.805 ( -0.657 0.987 1.042) 1.578 4.487 ( -7.464 -10.168 -6.949) 14.401 4.894 ( -2.714 8.987 4.883) 10.582 5.243 ( -2.060 17.161 1.431) 17.343 5.406 ( -6.640 -0.495 8.874) 11.094 5.490 ( -4.385 7.114 11.242) 14.008 6.211 ( 4.496 -2.531 15.900) 16.717 6.353 ( 12.338 -1.035 12.744) 17.768 6.899 ( 0.248 0.572 -7.187) 7.214 7.183 ( 0.631 -5.121 -6.750) 8.496 7.236 ( -0.337 -4.746 -8.011) 9.318 7.389 ( -4.505 -8.414 -7.887) 12.382 7.562 ( -6.963 5.468 -7.902) 11.867 7.772 ( 2.103 -1.345 -17.523) 17.700 8.022 ( -8.985 8.919 2.115) 12.835 8.327 ( -2.628 0.920 -5.073) 5.787 8.628 ( 11.274 2.066 5.192) 12.582 8.745 ( -9.572 -6.898 0.946) 11.837 8.976 ( -4.247 1.114 -2.356) 4.983 9.259 ( -1.369 -3.975 -5.449) 6.882 9.425 ( 4.267 -1.342 -8.155) 9.301 9.487 ( 9.517 0.075 -8.006) 12.437 10.120 ( 7.114 0.230 7.672) 10.465 10.743 ( 5.870 -9.292 -1.597) 11.107 10.936 ( -10.104 -3.680 14.516) 18.065 11.009 ( 0.918 3.969 16.363) 16.862 11.163 ( -5.228 1.834 7.890) 9.641 11.484 ( 7.225 16.708 -5.809) 19.108 11.641 ( 8.001 3.045 -1.562) 8.702 12.024 ( 15.254 -1.344 2.807) 15.568 12.121 ( -9.446 9.659 9.563) 16.552 12.631 ( -0.157 -0.555 9.509) 9.527 12.888 ( 9.023 0.870 -12.278) 15.262 13.130 ( 19.387 -0.663 18.060) 26.504 13.488 ( -4.328 -1.688 -15.120) 15.817 13.717 ( 1.356 4.691 -11.624) 12.608 14.423 ( -2.124 -1.248 6.192) 6.664 14.629 ( -12.190 8.738 -22.324) 26.895 15.509 ( 8.688 4.246 -17.286) 19.806 15.886 ( -2.851 -3.939 3.765) 6.150 16.048 ( 3.484 -7.208 -9.389) 12.339 16.226 ( 4.512 -23.330 5.595) 24.412 16.382 ( 1.997 -10.297 1.820) 10.646 16.752 ( -0.241 -6.256 -5.196) 8.136 16.899 ( -3.011 1.279 11.831) 12.275 17.054 ( 0.455 -2.955 3.988) 4.984 18.878 ( -5.219 5.129 -0.263) 7.322 18.927 ( -2.042 7.402 0.149) 7.680 19.098 ( -1.237 5.291 9.903) 11.296 19.583 ( -2.637 0.797 -2.289) 3.582 ======================= Grid point 200 (68/120) ======================= q-point: ( 0.22 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( 7.369 8.447 11.684) 16.191 2.134 ( 15.652 -3.275 16.436) 22.931 2.562 ( 2.262 -2.500 -10.723) 11.240 2.818 ( -4.343 -6.942 -0.237) 8.192 2.996 ( -5.059 -1.179 -2.127) 5.613 3.077 ( -5.642 -11.668 -3.325) 13.380 3.282 ( -2.602 -2.714 -4.322) 5.729 3.376 ( 0.842 3.774 -5.595) 6.801 3.482 ( -0.136 3.156 -1.947) 3.711 3.559 ( 3.228 3.361 -9.918) 10.959 3.842 ( 7.281 -3.103 10.858) 13.436 4.299 ( -10.087 -9.758 -4.363) 14.697 4.842 ( -1.223 8.784 4.665) 10.021 5.200 ( -2.234 18.287 0.921) 18.446 5.276 ( -5.792 0.528 7.608) 9.576 5.425 ( -0.989 6.620 5.623) 8.742 6.333 ( 7.428 0.189 13.511) 15.419 6.571 ( 4.777 0.116 -3.332) 5.825 6.880 ( -1.977 0.121 -1.745) 2.640 7.000 ( -14.761 -5.405 -13.065) 20.440 7.245 ( 1.972 -0.228 -6.999) 7.275 7.413 ( -4.333 1.858 -1.603) 4.979 7.455 ( 5.510 -6.909 -1.450) 8.955 7.766 ( -2.100 -0.248 -4.982) 5.412 7.927 ( -0.932 6.972 -0.925) 7.094 8.240 ( -5.450 0.133 -2.343) 5.934 8.581 ( -7.052 -7.140 3.730) 10.707 8.666 ( -8.576 -6.116 -1.168) 10.598 9.017 ( 10.625 11.166 7.029) 16.941 9.278 ( 3.374 0.074 -3.415) 4.801 9.526 ( 4.968 0.247 -6.747) 8.382 9.658 ( 6.938 2.798 -7.398) 10.521 10.258 ( 4.956 -2.306 4.213) 6.902 10.606 ( -13.908 -2.358 2.946) 14.410 10.862 ( -1.638 -6.458 9.284) 11.427 11.114 ( 8.506 -4.375 8.686) 12.920 11.141 ( 3.165 2.911 13.336) 14.012 11.647 ( 8.263 13.738 -4.047) 16.534 11.836 ( 6.148 2.459 1.981) 6.912 11.952 ( -2.160 12.767 4.012) 13.556 12.271 ( 9.286 -2.213 -0.540) 9.562 12.756 ( 11.252 -4.598 5.666) 13.411 13.079 ( 9.377 0.165 -11.328) 14.706 13.366 ( -6.572 0.633 -15.806) 17.129 13.495 ( 10.189 -6.981 -5.835) 13.661 13.838 ( 15.360 7.554 7.596) 18.726 14.232 ( -16.508 3.266 -15.900) 23.152 14.528 ( 3.846 6.483 10.191) 12.676 15.639 ( 2.880 3.099 -14.501) 15.105 15.847 ( -1.798 -2.137 10.363) 10.733 16.106 ( 2.490 -2.620 -12.213) 12.737 16.332 ( 5.832 -24.885 4.001) 25.870 16.435 ( 3.205 -14.320 0.108) 14.674 16.720 ( -2.854 -4.649 2.752) 6.110 16.862 ( -0.615 -0.932 7.078) 7.166 17.049 ( -1.095 -4.442 2.933) 5.434 18.758 ( -5.958 7.564 -2.143) 9.864 18.871 ( -3.445 9.554 -2.877) 10.556 19.069 ( -1.230 4.262 7.645) 8.838 19.506 ( -5.013 1.083 -2.988) 5.936 ======================= Grid point 201 (69/120) ======================= q-point: ( 0.33 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( 9.398 5.434 3.335) 11.357 2.428 ( 11.727 -4.360 7.254) 14.462 2.583 ( -0.894 -1.738 -7.403) 7.656 2.751 ( -0.905 -7.886 -1.742) 8.127 2.859 ( -7.606 -2.446 -2.501) 8.372 2.993 ( -3.402 -11.029 -0.732) 11.565 3.188 ( -3.452 2.118 -3.158) 5.135 3.321 ( -4.123 3.004 -2.934) 5.885 3.475 ( -2.409 1.912 -2.959) 4.268 3.558 ( -3.004 2.371 -8.549) 9.366 4.043 ( 5.459 -14.101 7.486) 16.873 4.175 ( 1.017 -10.113 3.455) 10.735 4.883 ( 5.658 10.794 2.133) 12.372 5.167 ( -2.724 22.518 0.394) 22.686 5.191 ( 1.066 -0.492 -1.309) 1.758 5.484 ( 7.097 6.858 1.432) 9.972 6.359 ( -16.584 0.240 -14.327) 21.917 6.467 ( -10.033 5.131 -8.335) 14.017 6.668 ( -2.987 -4.004 -1.125) 5.121 7.014 ( 6.819 -3.297 7.480) 10.646 7.263 ( 0.436 3.797 1.922) 4.278 7.377 ( -0.153 1.913 2.530) 3.176 7.574 ( 5.256 -5.879 -0.236) 7.889 7.760 ( 2.516 3.680 -0.809) 4.531 7.922 ( -0.653 3.260 -2.812) 4.354 8.121 ( -6.185 2.714 -0.280) 6.760 8.442 ( -7.395 -8.657 5.049) 12.455 8.478 ( -7.649 -6.778 0.729) 10.246 9.249 ( 11.100 9.463 7.149) 16.244 9.394 ( 7.999 1.710 -0.586) 8.200 9.593 ( 1.195 3.897 -2.718) 4.899 9.765 ( 3.793 1.274 -5.089) 6.474 10.261 ( -5.313 -2.710 1.184) 6.080 10.338 ( -10.799 -2.390 1.559) 11.169 10.893 ( 5.139 -7.529 9.358) 13.065 11.226 ( 1.833 -8.806 10.493) 13.820 11.234 ( 5.044 9.185 13.202) 16.855 11.703 ( -8.358 9.892 12.286) 17.851 11.847 ( 10.485 9.624 0.016) 14.232 12.154 ( 11.254 4.788 -9.135) 15.265 12.480 ( 12.656 -3.754 -7.382) 15.124 12.950 ( 6.717 -7.560 -1.790) 10.270 13.217 ( -5.363 0.744 -10.555) 11.862 13.260 ( 5.819 4.576 -12.412) 14.452 13.524 ( -3.583 -7.317 -18.107) 19.855 13.873 ( -18.216 6.230 -17.109) 25.756 14.320 ( 28.151 5.543 15.677) 32.695 14.734 ( 16.035 4.336 17.398) 24.054 15.595 ( -7.496 1.840 -8.024) 11.134 15.755 ( -8.599 -0.011 10.954) 13.926 16.182 ( 6.053 0.135 -7.650) 9.756 16.451 ( 5.658 -24.184 3.485) 25.080 16.505 ( 3.383 -17.434 -1.515) 17.823 16.656 ( -3.465 -5.872 4.176) 7.995 16.849 ( -0.971 -3.684 6.261) 7.329 17.004 ( -3.516 -5.543 4.960) 8.227 18.667 ( -2.704 10.722 -5.427) 12.318 18.794 ( -4.155 12.188 -5.938) 14.180 19.066 ( 1.251 2.859 3.546) 4.724 19.387 ( -6.683 1.445 -3.623) 7.738 ======================= Grid point 202 (70/120) ======================= q-point: ( 0.44 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( 9.679 1.255 -3.639) 10.416 2.443 ( -7.238 -2.799 -7.903) 11.076 2.644 ( 5.073 -1.134 1.488) 5.407 2.731 ( -4.816 -1.205 -2.041) 5.368 2.797 ( 4.686 -8.200 -1.169) 9.516 2.906 ( -5.413 -8.748 -0.258) 10.290 3.186 ( 2.232 4.062 -1.560) 4.890 3.240 ( -3.433 1.717 -0.825) 3.926 3.430 ( -0.689 1.245 -2.405) 2.794 3.472 ( -4.285 2.245 -4.202) 6.407 4.104 ( 4.096 -18.012 7.032) 19.766 4.191 ( -2.902 -17.303 8.488) 19.490 5.007 ( 4.887 15.406 0.560) 16.172 5.088 ( -3.837 18.914 -0.072) 19.299 5.420 ( 20.501 0.698 -11.480) 23.506 5.709 ( 14.943 7.611 -6.002) 17.811 5.907 ( -24.948 -2.144 -15.661) 29.535 6.083 ( -20.958 8.008 -13.274) 26.068 6.843 ( 11.898 -0.429 7.361) 13.998 7.036 ( -5.605 -3.516 3.496) 7.483 7.301 ( 3.374 4.465 8.354) 10.055 7.360 ( -1.941 2.947 5.444) 6.488 7.688 ( 6.736 -2.718 -0.810) 7.309 7.809 ( -2.343 3.623 1.429) 4.545 7.906 ( 2.368 3.054 -4.614) 6.018 8.003 ( -5.497 7.128 0.306) 9.007 8.334 ( -1.904 -10.311 5.449) 11.816 8.364 ( -4.090 -9.917 3.366) 11.243 9.442 ( 7.983 7.752 5.214) 12.288 9.557 ( -1.066 4.687 3.768) 6.108 9.593 ( 7.630 2.550 -0.834) 8.088 9.767 ( -5.326 0.695 -0.549) 5.399 10.138 ( -1.781 -2.904 -1.186) 3.607 10.195 ( -5.517 -2.357 -1.206) 6.119 11.030 ( 7.544 -8.613 9.185) 14.678 11.169 ( -5.729 -9.944 8.712) 14.408 11.367 ( 7.363 13.422 16.213) 22.298 11.527 ( -8.554 12.456 14.892) 21.216 12.087 ( 11.781 4.200 -3.399) 12.961 12.252 ( -2.689 1.974 -6.851) 7.620 12.761 ( 14.578 -4.625 -11.991) 19.434 13.034 ( -11.842 -3.434 -12.043) 17.235 13.106 ( 11.189 -5.199 -8.198) 14.813 13.344 ( -5.731 -4.394 -12.054) 14.052 13.441 ( 0.551 5.335 -8.643) 10.172 13.559 ( -10.519 11.431 -16.646) 22.769 14.874 ( 25.755 2.216 8.782) 27.302 15.106 ( 17.974 1.319 13.326) 22.414 15.345 ( -15.919 3.134 1.805) 16.325 15.502 ( -16.058 2.445 11.728) 20.034 16.345 ( 9.377 -1.554 -3.725) 10.209 16.509 ( -4.924 -9.145 -2.247) 10.627 16.547 ( 3.316 -21.075 1.256) 21.372 16.593 ( -1.661 -18.341 3.757) 18.795 16.846 ( 1.658 -5.419 8.462) 10.185 16.917 ( -4.654 -5.920 8.030) 11.008 18.656 ( 1.430 13.108 -7.762) 15.301 18.712 ( -3.768 13.612 -7.750) 16.110 19.127 ( 4.826 2.081 -0.871) 5.327 19.248 ( -6.870 1.759 -3.284) 7.815 ======================= Grid point 207 (71/120) ======================= q-point: ( 0.00 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( 0.000 6.211 16.664) 17.784 2.027 ( 0.000 16.307 14.979) 22.142 2.411 ( 0.000 -4.137 -3.056) 5.143 2.862 ( 0.000 -8.825 -5.219) 10.253 2.936 ( 0.000 -14.662 -1.740) 14.765 3.151 ( 0.000 3.777 3.783) 5.345 3.171 ( 0.000 7.023 -0.878) 7.078 3.296 ( 0.000 -0.151 -12.251) 12.251 3.498 ( 0.000 2.049 -13.771) 13.922 3.610 ( 0.000 2.727 -0.986) 2.900 3.797 ( 0.000 -5.621 -5.197) 7.655 4.336 ( 0.000 -13.646 -8.520) 16.087 5.146 ( 0.000 15.187 15.157) 21.457 5.573 ( 0.000 8.220 11.328) 13.996 5.625 ( 0.000 17.947 6.114) 18.960 5.727 ( 0.000 11.948 10.982) 16.228 6.086 ( 0.000 -4.451 15.924) 16.535 6.128 ( 0.000 -5.976 14.667) 15.838 6.885 ( 0.000 -3.129 -4.401) 5.400 7.005 ( 0.000 -7.692 -1.878) 7.918 7.113 ( 0.000 -4.451 -11.638) 12.460 7.270 ( 0.000 -13.815 -3.191) 14.179 7.735 ( 0.000 3.271 -12.730) 13.144 7.746 ( 0.000 0.990 -25.139) 25.158 8.377 ( 0.000 10.023 5.739) 11.549 8.425 ( 0.000 -0.308 0.894) 0.945 8.478 ( 0.000 6.357 -3.655) 7.333 8.770 ( 0.000 -5.143 -8.500) 9.935 8.956 ( 0.000 -1.495 -4.050) 4.317 9.137 ( 0.000 -11.202 -4.568) 12.098 9.287 ( 0.000 -2.281 -9.155) 9.435 9.325 ( 0.000 -3.828 -7.901) 8.780 10.107 ( 0.000 5.058 13.467) 14.385 10.490 ( 0.000 -6.931 10.777) 12.814 11.046 ( 0.000 -1.838 15.890) 15.996 11.081 ( 0.000 0.075 14.767) 14.768 11.370 ( 0.000 12.578 9.252) 15.614 11.590 ( 0.000 2.293 -2.392) 3.313 11.677 ( 0.000 6.136 -9.984) 11.718 11.832 ( 0.000 5.539 2.955) 6.278 12.314 ( 0.000 -0.523 3.339) 3.380 12.727 ( 0.000 -7.070 3.124) 7.729 12.860 ( 0.000 4.336 -8.618) 9.647 12.998 ( 0.000 22.643 5.640) 23.335 13.444 ( 0.000 -4.585 -8.529) 9.684 13.834 ( 0.000 7.043 -1.464) 7.194 14.430 ( 0.000 0.259 8.662) 8.666 14.945 ( 0.000 5.802 -20.998) 21.785 15.494 ( 0.000 5.557 -18.022) 18.859 15.630 ( 0.000 -29.678 2.314) 29.769 15.715 ( 0.000 -11.832 8.626) 14.642 15.937 ( 0.000 -1.587 -18.138) 18.208 16.211 ( 0.000 -7.122 2.618) 7.588 16.566 ( 0.000 -12.013 -10.456) 15.927 16.954 ( 0.000 0.160 11.983) 11.984 16.998 ( 0.000 -2.158 10.867) 11.079 19.018 ( 0.000 3.502 2.073) 4.070 19.028 ( 0.000 2.440 7.829) 8.201 19.288 ( 0.000 11.224 2.187) 11.435 19.617 ( 0.000 -0.230 -2.053) 2.065 ======================= Grid point 208 (72/120) ======================= q-point: ( 0.11 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( 8.062 4.196 16.174) 18.553 2.045 ( 1.856 14.693 12.230) 19.207 2.438 ( 2.554 -3.701 -2.732) 5.262 2.805 ( -4.794 -6.983 -4.761) 9.717 2.912 ( -2.531 -13.921 -1.291) 14.208 3.074 ( -5.985 -0.484 -4.639) 7.587 3.225 ( 3.775 1.935 4.735) 6.357 3.371 ( 4.221 1.331 -8.784) 9.836 3.475 ( -0.506 0.414 -12.874) 12.890 3.625 ( 0.607 5.700 -5.237) 7.764 3.768 ( -1.661 -5.044 -3.240) 6.221 4.276 ( -5.744 -11.737 -8.062) 15.354 5.132 ( -2.592 15.548 15.304) 21.969 5.425 ( -8.851 2.981 13.189) 16.160 5.561 ( -4.955 13.031 7.479) 15.820 5.733 ( -0.592 19.224 3.777) 19.600 6.181 ( 8.234 -0.043 14.397) 16.586 6.294 ( 13.235 -6.023 14.779) 20.733 6.888 ( 0.237 -3.362 -5.896) 6.792 7.049 ( 1.435 -6.753 -4.283) 8.124 7.144 ( 0.068 -6.714 -8.150) 10.560 7.192 ( -2.224 -9.810 -6.791) 12.137 7.656 ( -6.983 3.980 -12.164) 14.580 7.753 ( -0.081 -0.779 -17.203) 17.221 8.182 ( -9.935 6.396 4.228) 12.549 8.330 ( -7.030 -0.291 -3.577) 7.893 8.554 ( -3.169 -6.642 1.159) 7.450 8.735 ( -3.269 3.494 -4.191) 6.361 8.980 ( 6.820 -0.723 0.418) 6.871 9.229 ( 5.504 0.953 -5.820) 8.067 9.368 ( 5.259 -3.912 -8.385) 10.643 9.473 ( 14.798 -1.612 -9.713) 17.774 10.145 ( 3.215 2.932 12.262) 13.012 10.571 ( 7.408 -8.622 8.915) 14.447 10.881 ( -13.217 -2.086 12.841) 18.546 10.982 ( -8.486 -4.181 12.249) 15.477 11.358 ( 0.858 15.447 9.933) 18.385 11.694 ( 8.441 3.304 -3.865) 9.854 11.779 ( 7.827 11.200 -9.174) 16.458 12.004 ( 13.651 0.268 3.346) 14.058 12.249 ( -4.811 1.618 3.456) 6.140 12.626 ( -4.998 -1.342 9.605) 10.910 12.934 ( 7.236 4.327 -12.773) 15.304 13.199 ( 13.414 9.454 -1.019) 16.442 13.429 ( -1.269 -3.152 -8.028) 8.717 13.826 ( 0.239 5.982 3.529) 6.950 14.413 ( -2.065 0.566 8.577) 8.840 14.825 ( -8.826 10.186 -18.284) 22.715 15.589 ( 6.203 0.087 -17.756) 18.808 15.660 ( 2.913 -30.942 2.943) 31.218 15.737 ( 2.063 -7.871 7.858) 11.312 15.963 ( 2.877 -2.060 -15.732) 16.125 16.212 ( 0.130 -7.109 1.680) 7.306 16.593 ( 2.251 -10.456 -9.654) 14.408 16.906 ( -4.211 -0.135 12.903) 13.573 16.987 ( -1.481 -3.516 9.480) 10.219 18.975 ( -3.357 4.402 2.733) 6.173 19.026 ( -0.662 2.972 5.189) 6.017 19.269 ( -1.870 11.101 1.773) 11.396 19.593 ( -2.400 -0.092 -2.351) 3.361 ======================= Grid point 209 (73/120) ======================= q-point: ( 0.22 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.086 ( 9.958 1.630 14.350) 17.542 2.108 ( 6.394 8.814 6.111) 12.487 2.505 ( 3.651 -2.397 -1.642) 4.666 2.697 ( -5.497 -5.786 -3.457) 8.698 2.844 ( -3.712 -11.604 -1.337) 12.257 2.950 ( -6.348 -2.915 -5.779) 9.066 3.219 ( -3.109 -4.586 4.327) 7.030 3.393 ( -2.723 -0.363 -8.240) 8.686 3.525 ( 3.545 0.456 -11.244) 11.799 3.614 ( -1.757 -0.200 -7.772) 7.970 3.794 ( 4.496 0.348 0.124) 4.511 4.124 ( -8.684 -7.934 -6.577) 13.477 5.044 ( -3.673 10.556 11.136) 15.778 5.260 ( -7.738 -0.310 8.377) 11.409 5.562 ( 5.595 17.035 9.617) 20.347 5.694 ( -3.259 22.068 -0.904) 22.326 6.380 ( 11.185 4.445 12.668) 17.474 6.546 ( 9.003 -3.825 5.042) 11.005 6.822 ( -17.430 -7.793 -12.344) 22.736 6.892 ( -0.687 -4.493 -6.335) 7.796 7.213 ( 5.930 -3.800 -2.729) 7.554 7.300 ( 8.106 -5.666 -3.190) 10.392 7.495 ( -7.522 4.603 -4.202) 9.769 7.736 ( -1.124 -2.314 -8.049) 8.450 8.054 ( -3.006 3.925 3.469) 6.040 8.187 ( -6.305 -5.557 -1.511) 8.540 8.444 ( -7.346 -5.073 1.245) 9.014 8.581 ( -9.934 -2.592 -1.515) 10.377 9.176 ( 9.944 4.046 4.444) 11.619 9.360 ( 7.181 6.453 -2.738) 10.035 9.517 ( 9.364 2.002 -7.266) 12.020 9.742 ( 10.012 5.221 -7.633) 13.630 10.206 ( 2.144 -2.445 8.419) 9.025 10.576 ( -14.259 -0.520 4.751) 15.038 10.725 ( 1.264 -8.363 9.995) 13.093 10.857 ( 0.767 -13.639 9.393) 16.578 11.421 ( 5.139 17.750 12.430) 22.271 11.857 ( 6.308 5.202 -5.690) 9.961 11.954 ( 8.157 12.266 -5.728) 15.806 12.150 ( 1.607 2.474 -0.045) 2.951 12.257 ( 5.457 3.271 0.415) 6.376 12.638 ( 6.276 -7.112 8.993) 13.071 13.108 ( 9.373 2.727 -12.634) 15.965 13.346 ( -1.007 -0.919 -18.121) 18.172 13.429 ( 1.474 -0.247 -5.291) 5.498 13.927 ( 10.580 0.759 14.251) 17.766 14.332 ( -4.982 8.453 0.927) 9.855 14.718 ( 0.371 12.872 -2.363) 13.092 15.640 ( -1.144 -9.100 -16.465) 18.847 15.733 ( 2.267 -26.275 4.171) 26.701 15.805 ( 5.554 -6.994 6.999) 11.346 16.054 ( 5.437 -3.016 -9.534) 11.382 16.218 ( 0.478 -5.148 -0.377) 5.184 16.624 ( -0.148 -6.155 -4.929) 7.887 16.811 ( -4.473 -3.410 11.049) 12.398 16.935 ( -3.627 -6.632 7.700) 10.790 18.906 ( -2.931 7.064 0.053) 7.648 19.011 ( -0.540 4.137 1.955) 4.608 19.216 ( -3.191 10.456 0.763) 10.959 19.523 ( -4.608 0.290 -3.095) 5.559 ======================= Grid point 210 (74/120) ======================= q-point: ( 0.33 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( 4.970 5.535 1.227) 7.539 2.338 ( 10.703 -4.548 9.056) 14.739 2.525 ( -3.578 -2.839 -1.048) 4.686 2.636 ( 1.508 -3.572 -0.781) 3.955 2.778 ( -3.715 -10.669 0.896) 11.333 2.838 ( -3.349 0.539 -7.511) 8.242 3.178 ( 0.060 -3.749 1.372) 3.993 3.306 ( -4.981 -2.980 -5.308) 7.866 3.532 ( -2.586 1.448 -7.971) 8.504 3.569 ( -2.632 -1.691 -4.201) 5.238 3.841 ( -2.454 -5.415 0.366) 5.956 3.986 ( -3.744 -8.031 -2.337) 9.164 5.064 ( 6.135 6.873 2.416) 9.525 5.180 ( 1.440 -0.514 -0.579) 1.635 5.601 ( -5.872 20.501 -4.484) 21.792 5.734 ( 10.378 20.278 6.924) 23.808 6.347 ( -22.895 -2.981 -17.488) 28.964 6.585 ( -7.620 7.015 -8.922) 13.670 6.632 ( 9.644 1.929 9.794) 13.880 6.938 ( 4.798 -5.491 3.684) 8.170 7.315 ( 3.935 0.311 0.850) 4.038 7.408 ( -1.196 1.875 2.511) 3.354 7.466 ( 7.721 -4.875 2.197) 9.391 7.759 ( 5.028 -2.620 -3.514) 6.671 8.027 ( -1.406 4.116 3.340) 5.484 8.080 ( -4.370 -7.860 -0.216) 8.996 8.260 ( -9.945 -7.426 3.582) 12.918 8.385 ( -9.667 -1.727 0.998) 9.871 9.371 ( 9.965 2.848 4.219) 11.190 9.499 ( 6.658 4.908 0.194) 8.273 9.699 ( 7.228 10.584 -1.108) 12.865 9.844 ( 0.551 7.567 -2.202) 7.900 10.196 ( -4.208 -4.255 1.430) 6.153 10.305 ( -10.648 -0.616 2.043) 10.860 10.725 ( 2.365 -9.637 8.191) 12.867 10.939 ( 2.502 -17.166 8.284) 19.224 11.549 ( 7.307 19.454 14.313) 25.233 11.905 ( -1.574 10.190 3.254) 10.812 12.068 ( 5.220 13.284 -3.802) 14.770 12.267 ( 7.696 3.864 -7.643) 11.514 12.395 ( 9.401 -2.822 -7.378) 12.279 12.763 ( 5.111 -12.280 3.594) 13.778 13.172 ( -7.535 -5.145 -16.752) 19.075 13.314 ( -1.311 -2.844 -10.929) 11.369 13.482 ( 7.518 7.781 -5.567) 12.168 14.003 ( -5.712 5.630 -8.811) 11.915 14.451 ( 18.735 8.848 9.350) 22.731 14.853 ( 12.168 8.118 11.110) 18.368 15.554 ( -7.245 -10.325 -11.071) 16.783 15.724 ( -3.615 -7.945 6.089) 10.643 15.933 ( 6.084 -20.731 5.935) 22.406 16.131 ( 1.380 -11.031 -0.823) 11.147 16.249 ( 3.329 0.425 -2.064) 3.940 16.577 ( -3.750 -3.138 1.206) 5.036 16.739 ( -3.048 -7.406 6.734) 10.464 16.850 ( -4.595 -9.699 6.231) 12.410 18.876 ( 0.161 10.017 -3.483) 10.606 19.008 ( -0.045 7.769 -3.249) 8.421 19.155 ( -2.195 7.307 0.179) 7.632 19.412 ( -6.258 0.803 -3.815) 7.373 ======================= Grid point 211 (75/120) ======================= q-point: ( 0.44 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( 4.887 0.720 -2.395) 5.490 2.393 ( -5.188 -1.959 -4.835) 7.357 2.536 ( 6.315 -8.841 8.725) 13.934 2.655 ( -4.800 -8.194 -0.047) 9.497 2.733 ( 4.056 0.777 2.186) 4.672 2.809 ( -1.914 2.236 -5.648) 6.369 3.209 ( 1.392 -4.081 -2.714) 5.095 3.229 ( -1.806 -2.204 -5.102) 5.844 3.471 ( -1.540 2.404 -2.615) 3.872 3.506 ( -3.368 1.930 -1.255) 4.079 3.805 ( 1.513 -12.236 2.673) 12.615 3.895 ( -5.922 -12.577 2.422) 14.111 5.236 ( 9.053 7.914 -4.828) 12.958 5.333 ( 8.114 4.666 -6.419) 11.350 5.492 ( 0.564 8.015 -11.201) 13.785 5.811 ( -17.846 -2.325 -13.149) 22.289 6.031 ( 7.961 20.189 -2.102) 21.803 6.309 ( -15.675 16.203 -7.655) 23.808 6.858 ( 9.848 1.630 8.744) 13.270 6.983 ( -1.858 -2.838 5.203) 6.211 7.368 ( 1.799 2.434 4.505) 5.427 7.398 ( -0.887 1.097 2.753) 3.093 7.637 ( 10.448 -4.004 2.120) 11.388 7.869 ( -10.457 -1.293 0.500) 10.548 7.944 ( 9.888 -0.168 -0.246) 9.892 8.068 ( 1.276 -4.465 4.148) 6.227 8.117 ( -4.075 -7.365 6.119) 10.406 8.181 ( -10.649 -4.287 1.554) 11.585 9.577 ( 10.088 3.614 4.827) 11.753 9.632 ( 6.770 4.701 3.295) 8.876 9.731 ( -3.893 10.163 2.310) 11.126 9.793 ( -6.323 2.606 2.604) 7.318 10.105 ( -0.153 0.542 -2.870) 2.925 10.172 ( -4.909 1.443 -2.543) 5.714 10.818 ( 5.806 -13.295 8.007) 16.571 10.921 ( -3.751 -15.548 8.242) 17.993 11.697 ( 7.097 20.227 13.417) 25.288 11.825 ( -5.556 17.649 9.706) 20.894 12.205 ( 7.657 8.220 -6.398) 12.928 12.324 ( -2.741 5.601 -8.010) 10.151 12.633 ( 13.571 -8.365 -12.363) 20.174 12.861 ( -1.553 -13.610 -5.642) 14.815 12.990 ( -1.597 -7.564 -9.715) 12.415 13.172 ( -11.048 -11.533 -3.509) 16.352 13.688 ( 10.247 18.604 -9.988) 23.470 13.862 ( -7.472 19.667 -13.308) 24.894 14.872 ( 20.347 -4.416 2.612) 20.984 15.103 ( 5.582 -4.122 3.975) 7.997 15.393 ( -3.411 1.481 4.380) 5.746 15.566 ( -11.788 3.965 10.372) 16.195 16.035 ( 4.389 -24.873 6.145) 25.994 16.112 ( -2.896 -19.962 4.677) 20.706 16.355 ( 6.743 0.006 -1.715) 6.957 16.486 ( -5.668 -2.343 -0.903) 6.200 16.705 ( 0.531 -8.737 6.951) 11.177 16.759 ( -4.192 -9.933 6.722) 12.705 18.910 ( 2.968 12.230 -5.917) 13.906 18.977 ( -3.141 12.823 -6.460) 14.698 19.170 ( 3.869 2.050 -1.491) 4.626 19.281 ( -6.532 1.262 -3.635) 7.581 ======================= Grid point 216 (76/120) ======================= q-point: ( 0.00 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( 0.000 10.932 8.852) 14.067 2.150 ( 0.000 -6.084 2.460) 6.563 2.486 ( 0.000 12.245 9.793) 15.679 2.692 ( 0.000 -10.702 -0.802) 10.732 2.777 ( 0.000 2.917 -4.241) 5.148 2.988 ( 0.000 -15.150 5.610) 16.155 3.316 ( 0.000 6.539 -9.512) 11.543 3.353 ( 0.000 2.760 -17.443) 17.660 3.534 ( 0.000 2.686 -9.928) 10.285 3.643 ( 0.000 -8.244 -4.311) 9.303 3.790 ( 0.000 12.918 -7.013) 14.699 4.061 ( 0.000 -14.943 -8.626) 17.254 5.481 ( 0.000 18.750 24.463) 30.822 5.749 ( 0.000 9.574 14.055) 17.006 5.761 ( 0.000 -6.962 23.008) 24.038 5.935 ( 0.000 -10.394 17.205) 20.101 5.978 ( 0.000 12.861 4.202) 13.530 6.105 ( 0.000 1.439 0.414) 1.497 6.769 ( 0.000 -1.267 1.436) 1.914 6.939 ( 0.000 -14.780 -3.204) 15.123 6.994 ( 0.000 2.949 -9.593) 10.037 7.068 ( 0.000 -5.133 -8.794) 10.182 7.764 ( 0.000 0.791 -21.552) 21.567 7.769 ( 0.000 0.518 -17.181) 17.189 8.416 ( 0.000 1.702 3.576) 3.960 8.476 ( 0.000 -3.964 1.538) 4.252 8.618 ( 0.000 12.755 -0.430) 12.763 8.778 ( 0.000 1.289 -8.058) 8.161 8.912 ( 0.000 -3.035 -7.227) 7.838 8.919 ( 0.000 -9.398 -4.939) 10.617 9.257 ( 0.000 -0.758 -9.472) 9.503 9.267 ( 0.000 -1.949 -8.590) 8.808 10.223 ( 0.000 7.030 16.294) 17.746 10.360 ( 0.000 -7.118 15.690) 17.229 11.031 ( 0.000 0.365 14.206) 14.211 11.055 ( 0.000 -1.837 13.391) 13.517 11.612 ( 0.000 6.586 7.546) 10.016 11.672 ( 0.000 10.913 -0.782) 10.941 11.676 ( 0.000 -2.442 -1.658) 2.952 11.877 ( 0.000 -5.893 3.030) 6.626 12.363 ( 0.000 7.962 -1.992) 8.207 12.554 ( 0.000 -10.451 -1.134) 10.512 12.988 ( 0.000 8.521 -15.333) 17.542 13.155 ( 0.000 -7.328 -17.828) 19.275 13.652 ( 0.000 24.214 9.950) 26.179 13.916 ( 0.000 -1.320 4.637) 4.821 14.466 ( 0.000 5.414 13.125) 14.198 14.761 ( 0.000 -23.644 9.201) 25.371 15.353 ( 0.000 1.841 -18.934) 19.024 15.455 ( 0.000 -7.080 -15.329) 16.886 15.706 ( 0.000 8.101 -4.491) 9.263 15.866 ( 0.000 -7.047 -10.661) 12.780 16.159 ( 0.000 3.616 -5.176) 6.314 16.325 ( 0.000 -12.251 -10.572) 16.182 16.956 ( 0.000 0.239 12.550) 12.552 16.968 ( 0.000 -1.072 12.556) 12.602 19.059 ( 0.000 0.933 7.571) 7.628 19.060 ( 0.000 0.962 5.174) 5.263 19.477 ( 0.000 8.109 -0.581) 8.130 19.586 ( 0.000 -3.461 -1.666) 3.841 ======================= Grid point 217 (77/120) ======================= q-point: ( 0.11 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( 4.402 9.135 9.278) 13.744 2.167 ( 1.569 -4.706 2.731) 5.663 2.497 ( 1.352 10.612 8.353) 13.573 2.679 ( -1.230 -9.224 -1.374) 9.406 2.741 ( -3.240 2.044 -4.139) 5.640 2.930 ( -4.957 -13.446 2.055) 14.478 3.297 ( -2.477 7.447 -3.055) 8.422 3.415 ( 3.883 -1.680 -15.482) 16.049 3.479 ( -3.635 2.706 -11.508) 12.368 3.589 ( -3.777 -7.941 -6.811) 11.123 3.834 ( 3.142 10.842 -6.742) 13.148 4.052 ( -1.291 -11.808 -8.208) 14.439 5.404 ( -9.788 9.990 19.864) 24.293 5.475 ( -13.007 0.992 16.024) 20.663 5.800 ( 1.925 14.384 11.838) 18.728 6.074 ( 12.969 0.651 19.663) 23.564 6.119 ( 3.409 -0.139 0.686) 3.480 6.208 ( 11.486 1.153 9.748) 15.109 6.776 ( 0.119 -3.392 -0.967) 3.529 6.886 ( -6.403 -12.726 -4.735) 15.013 7.043 ( 5.013 1.596 -8.265) 9.798 7.098 ( 4.136 -3.515 -9.532) 10.969 7.711 ( -5.110 1.968 -15.102) 16.064 7.737 ( -2.764 -0.983 -15.943) 16.210 8.241 ( -11.264 1.528 0.816) 11.396 8.291 ( -12.951 -3.699 -1.297) 13.531 8.563 ( -3.512 6.767 0.048) 7.624 8.705 ( -8.629 -6.413 -1.823) 10.904 9.038 ( 13.391 6.843 -2.181) 15.195 9.181 ( 10.264 -6.913 -4.352) 13.118 9.361 ( 11.742 3.339 -10.114) 15.853 9.428 ( 16.224 -3.117 -10.944) 19.817 10.242 ( 1.324 7.284 15.966) 17.599 10.404 ( 4.049 -9.132 15.293) 18.266 10.868 ( -13.205 0.825 11.054) 17.240 10.908 ( -11.740 -3.225 10.816) 16.286 11.655 ( 3.138 13.684 6.581) 15.505 11.746 ( 8.400 1.773 -3.558) 9.293 11.862 ( 11.706 1.041 -1.665) 11.869 11.978 ( 10.418 -7.413 6.653) 14.414 12.318 ( -3.505 9.517 -3.009) 10.579 12.520 ( -2.497 -9.483 -1.130) 9.872 13.050 ( 5.652 7.645 -14.628) 17.446 13.207 ( 4.298 -8.025 -17.269) 19.522 13.636 ( -2.045 20.233 6.772) 21.434 13.879 ( -3.126 -3.219 7.903) 9.088 14.485 ( 2.436 9.382 13.883) 16.932 14.806 ( 4.475 -18.577 8.246) 20.811 15.280 ( -5.497 0.783 -15.982) 16.919 15.436 ( -2.213 -10.932 -16.127) 19.608 15.772 ( 4.613 5.772 -3.095) 8.011 15.893 ( 2.792 -6.220 -5.924) 9.032 16.190 ( 3.139 5.803 -7.463) 9.961 16.374 ( 4.274 -11.874 -11.098) 16.805 16.908 ( -4.637 0.606 12.847) 13.671 16.933 ( -3.548 -2.096 12.044) 12.729 19.037 ( -1.614 2.147 5.162) 5.819 19.055 ( -0.662 0.242 5.611) 5.655 19.457 ( -1.998 8.056 -1.014) 8.361 19.564 ( -2.160 -3.350 -2.021) 4.469 ======================= Grid point 218 (78/120) ======================= q-point: ( 0.22 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.126 ( 6.591 4.120 10.074) 12.723 2.205 ( 2.165 -1.916 3.230) 4.335 2.553 ( 4.367 7.133 4.501) 9.498 2.633 ( -4.478 -0.280 -5.228) 6.889 2.673 ( -2.383 -4.115 -0.380) 4.771 2.827 ( -4.163 -10.935 -0.987) 11.742 3.208 ( -5.275 5.293 0.638) 7.499 3.349 ( -6.745 -6.354 -6.638) 11.399 3.509 ( 2.492 -0.361 -11.827) 12.092 3.543 ( -1.503 -3.493 -10.656) 11.314 3.882 ( 1.052 6.463 -6.489) 9.219 3.999 ( -4.153 -5.905 -7.633) 10.506 5.189 ( -8.165 4.818 11.238) 14.703 5.246 ( -9.126 -1.568 10.080) 13.687 5.942 ( 9.673 22.053 10.644) 26.329 6.105 ( -3.423 17.578 -2.779) 18.122 6.368 ( 12.362 -12.862 15.442) 23.594 6.423 ( 8.690 -6.111 12.114) 16.112 6.694 ( -9.569 -1.256 -9.238) 13.360 6.776 ( 0.134 -6.993 -7.065) 9.941 7.179 ( 7.631 1.380 -5.729) 9.641 7.229 ( 8.135 -3.094 -5.747) 10.429 7.583 ( -6.857 4.751 -6.073) 10.319 7.675 ( -2.926 -4.418 -7.321) 9.038 8.051 ( -7.390 -1.495 0.145) 7.541 8.079 ( -7.801 -4.551 -0.969) 9.083 8.451 ( -7.458 4.372 1.484) 8.772 8.533 ( -8.550 -3.382 0.859) 9.234 9.246 ( 8.816 4.397 0.447) 9.862 9.340 ( 7.212 -4.944 -2.417) 9.072 9.680 ( 16.864 9.896 -7.045) 20.783 9.798 ( 17.800 -1.447 -9.841) 20.391 10.235 ( -3.326 7.774 14.889) 17.122 10.475 ( -1.482 -14.673 15.366) 21.298 10.609 ( -7.853 1.872 4.469) 9.228 10.680 ( -9.336 -5.534 6.848) 12.833 11.756 ( 6.852 15.726 6.866) 18.477 11.916 ( 8.844 -0.059 -5.109) 10.214 12.070 ( 7.466 1.170 -0.415) 7.568 12.204 ( 9.223 -9.101 3.894) 13.530 12.280 ( 1.029 13.048 -6.632) 14.673 12.503 ( 1.487 -8.813 -1.476) 9.058 13.177 ( 4.859 4.880 -14.010) 15.611 13.283 ( 1.717 -5.609 -14.778) 15.900 13.578 ( -1.304 14.545 2.335) 14.789 13.837 ( 0.860 -10.280 9.887) 14.289 14.587 ( 7.532 18.709 13.388) 24.207 14.932 ( 7.486 -0.735 4.839) 8.945 15.180 ( -3.735 -13.542 -6.955) 15.675 15.369 ( -3.980 -16.740 -15.029) 22.846 15.850 ( 3.207 4.840 1.219) 5.932 15.960 ( 3.058 -6.297 -1.352) 7.129 16.274 ( 4.657 8.694 -8.432) 12.976 16.466 ( 4.204 -10.239 -9.897) 14.848 16.778 ( -8.027 0.514 12.908) 15.209 16.827 ( -6.807 -4.401 11.064) 13.716 19.009 ( -0.702 3.740 2.178) 4.385 19.046 ( 0.100 -0.112 3.014) 3.018 19.399 ( -3.771 7.825 -2.152) 8.949 19.501 ( -4.161 -3.010 -2.929) 5.912 ======================= Grid point 219 (79/120) ======================= q-point: ( 0.33 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.240 ( 3.582 0.640 4.529) 5.810 2.269 ( 5.164 -2.698 7.371) 9.395 2.516 ( -6.360 1.716 -2.367) 7.000 2.596 ( -4.437 -6.321 -2.800) 8.215 2.679 ( 6.562 6.532 4.941) 10.494 2.824 ( 3.954 -5.014 -5.277) 8.284 3.117 ( -3.699 1.403 1.191) 4.132 3.223 ( -5.520 -6.567 -4.649) 9.757 3.504 ( -1.730 -1.172 -5.259) 5.659 3.525 ( -0.363 -2.468 -7.789) 8.178 3.834 ( -6.657 2.548 -3.926) 8.138 3.889 ( -6.550 -3.225 -5.682) 9.252 5.144 ( 4.204 2.289 0.516) 4.815 5.170 ( 2.620 -0.734 -0.261) 2.733 5.927 ( -11.967 13.969 -8.957) 20.459 6.079 ( -6.627 4.278 -5.406) 9.563 6.331 ( -1.239 11.142 2.774) 11.548 6.632 ( 9.334 -8.115 12.294) 17.439 6.729 ( 7.140 5.323 2.805) 9.337 6.794 ( 2.288 -5.385 -5.146) 7.792 7.316 ( 5.848 1.848 -3.309) 6.968 7.376 ( 4.745 -3.410 -1.817) 6.119 7.483 ( -1.771 5.379 4.099) 6.991 7.649 ( 0.992 -9.960 -0.239) 10.012 7.937 ( -3.996 -2.536 -0.365) 4.747 7.981 ( -1.910 -5.377 0.697) 5.749 8.278 ( -9.327 5.333 3.959) 11.450 8.358 ( -9.254 -2.522 2.812) 9.995 9.425 ( 9.383 3.281 1.642) 10.074 9.490 ( 7.935 -3.142 -0.363) 8.542 9.938 ( 6.094 10.176 0.668) 11.880 10.078 ( 3.460 16.069 0.117) 16.438 10.094 ( -3.962 -5.769 4.149) 8.136 10.300 ( -6.515 -2.517 4.729) 8.434 10.560 ( -2.922 -6.206 6.071) 9.160 10.620 ( 1.519 -13.686 6.425) 15.195 11.919 ( 8.796 17.515 7.468) 20.975 12.094 ( 7.362 9.249 -3.241) 12.258 12.181 ( 6.690 -6.665 -2.608) 9.797 12.328 ( 2.846 12.812 -6.977) 14.863 12.365 ( 8.362 -9.174 -3.287) 12.841 12.533 ( -0.059 -9.417 -1.788) 9.586 13.108 ( -11.111 0.968 -10.473) 15.299 13.204 ( -9.847 -7.021 -4.614) 12.944 13.738 ( 16.387 16.107 -3.436) 23.232 13.991 ( 13.999 -8.097 -1.459) 16.237 14.704 ( 1.209 18.536 0.857) 18.595 15.019 ( -2.458 4.574 -4.423) 6.821 15.191 ( 7.163 -18.402 5.599) 20.525 15.358 ( 6.054 -18.791 2.381) 19.886 15.884 ( -0.976 4.378 3.910) 5.950 15.983 ( -1.708 -5.689 0.708) 5.982 16.350 ( 2.685 8.450 -2.892) 9.326 16.518 ( 0.572 -6.444 -5.682) 8.610 16.613 ( -7.393 -1.907 11.636) 13.917 16.681 ( -6.921 -7.126 8.114) 12.827 19.022 ( 2.094 5.198 -1.521) 5.807 19.071 ( 2.594 -0.019 -0.616) 2.666 19.309 ( -5.028 7.173 -3.493) 9.431 19.400 ( -5.727 -2.464 -3.930) 7.370 ======================= Grid point 220 (80/120) ======================= q-point: ( 0.44 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( 3.657 1.782 1.476) 4.328 2.375 ( 3.590 -3.972 2.852) 6.066 2.400 ( -3.426 -0.052 2.517) 4.252 2.490 ( -5.497 -7.562 1.861) 9.533 2.827 ( 7.165 8.206 0.448) 10.903 2.909 ( 1.375 5.626 -5.582) 8.044 3.060 ( -0.509 -7.978 0.451) 8.007 3.126 ( -4.637 -8.596 -4.107) 10.595 3.506 ( 2.939 2.558 -1.592) 4.209 3.551 ( 2.886 -0.019 -3.639) 4.644 3.669 ( -7.063 -1.101 -0.923) 7.208 3.730 ( -8.596 -5.698 -2.426) 10.595 5.328 ( 12.877 2.718 -9.074) 15.986 5.357 ( 15.112 -0.444 -9.683) 17.953 5.636 ( -15.607 6.213 -12.719) 21.070 5.736 ( -20.297 -4.685 -14.249) 25.238 6.480 ( 9.942 23.997 4.490) 26.360 6.655 ( -6.452 17.541 0.366) 18.694 6.835 ( 5.672 -9.186 6.250) 12.475 6.884 ( 1.907 -6.826 5.262) 8.827 7.413 ( 1.669 1.243 1.261) 2.433 7.419 ( 2.229 3.579 1.627) 4.519 7.513 ( 4.683 -6.008 3.880) 8.548 7.639 ( -4.805 -15.460 1.153) 16.231 7.950 ( 6.306 1.755 2.358) 6.957 8.003 ( 4.233 -3.259 2.896) 6.076 8.100 ( -8.047 3.800 5.109) 10.262 8.160 ( -10.139 -1.765 3.643) 10.917 9.626 ( 10.651 2.366 3.033) 11.324 9.663 ( 9.444 -1.037 2.272) 9.769 9.844 ( -10.623 2.962 4.052) 11.749 9.871 ( -11.080 1.340 6.315) 12.823 10.229 ( 5.929 13.084 -1.012) 14.401 10.296 ( 0.109 10.727 -0.126) 10.728 10.547 ( 1.898 -14.314 5.488) 15.447 10.607 ( -2.667 -16.591 5.494) 17.680 12.078 ( 6.501 17.966 3.803) 19.481 12.159 ( -0.850 17.806 2.233) 17.966 12.328 ( 5.321 -5.343 -6.956) 10.259 12.397 ( 1.525 2.504 -9.182) 9.639 12.531 ( 5.801 -1.691 -7.617) 9.722 12.586 ( 11.011 -9.922 2.711) 15.068 12.842 ( -12.332 -4.837 -8.533) 15.758 12.941 ( -14.661 -11.832 0.873) 18.860 14.096 ( 16.535 22.825 -8.477) 29.432 14.253 ( 5.691 17.195 -10.187) 20.781 14.669 ( 0.928 -12.936 -6.168) 14.362 14.847 ( -12.083 -21.102 -9.139) 25.978 15.447 ( 15.438 5.096 12.676) 20.615 15.570 ( 11.253 -6.353 10.543) 16.677 15.772 ( -8.987 0.087 9.448) 13.040 15.862 ( -10.132 -7.558 6.858) 14.381 16.402 ( 3.193 5.031 1.142) 6.067 16.477 ( -3.930 1.947 0.536) 4.418 16.538 ( 0.035 -8.426 5.198) 9.901 16.577 ( -3.499 -8.170 4.298) 9.873 19.090 ( 4.461 6.522 -4.196) 8.947 19.144 ( 3.506 2.356 -4.100) 5.886 19.209 ( -3.770 3.818 -3.779) 6.563 19.278 ( -6.194 -1.938 -4.227) 7.745 ======================= Grid point 252 (81/120) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( 0.000 0.000 22.607) 22.607 2.222 ( 0.000 0.000 21.452) 21.452 2.413 ( 0.000 0.000 -0.918) 0.918 2.731 ( 0.000 0.000 -13.415) 13.415 2.877 ( 0.000 0.000 -11.862) 11.862 2.906 ( 0.000 0.000 -18.805) 18.805 3.136 ( 0.000 0.000 1.253) 1.253 3.386 ( 0.000 0.000 -8.864) 8.864 3.447 ( 0.000 0.000 7.421) 7.421 3.678 ( 0.000 0.000 -0.992) 0.992 4.049 ( 0.000 0.000 18.407) 18.407 4.538 ( 0.000 0.000 -9.027) 9.027 4.855 ( 0.000 0.000 1.862) 1.862 5.001 ( 0.000 0.000 -4.865) 4.865 5.781 ( 0.000 0.000 24.141) 24.141 5.815 ( 0.000 0.000 17.599) 17.599 6.352 ( 0.000 0.000 -3.899) 3.899 6.504 ( 0.000 0.000 13.808) 13.808 6.895 ( 0.000 0.000 9.563) 9.563 6.997 ( 0.000 0.000 -10.989) 10.989 7.115 ( 0.000 0.000 -33.457) 33.457 7.261 ( 0.000 0.000 -0.482) 0.482 7.411 ( 0.000 0.000 -10.218) 10.218 7.436 ( 0.000 0.000 -7.731) 7.731 8.087 ( 0.000 0.000 -4.387) 4.387 8.088 ( 0.000 0.000 -3.081) 3.081 8.748 ( 0.000 0.000 13.726) 13.726 8.901 ( 0.000 0.000 -1.749) 1.749 8.924 ( 0.000 0.000 -3.334) 3.334 9.207 ( 0.000 0.000 -9.997) 9.997 9.289 ( 0.000 0.000 -2.345) 2.345 9.331 ( 0.000 0.000 -3.572) 3.572 10.190 ( 0.000 0.000 10.187) 10.187 10.597 ( 0.000 0.000 -10.713) 10.713 11.168 ( 0.000 0.000 7.172) 7.172 11.179 ( 0.000 0.000 2.167) 2.167 11.348 ( 0.000 0.000 4.435) 4.435 11.379 ( 0.000 0.000 5.614) 5.614 11.674 ( 0.000 0.000 13.974) 13.974 11.964 ( 0.000 0.000 10.857) 10.857 12.239 ( 0.000 0.000 -2.240) 2.240 12.443 ( 0.000 0.000 -14.231) 14.231 12.834 ( 0.000 0.000 8.743) 8.743 13.304 ( 0.000 0.000 -16.582) 16.582 13.351 ( 0.000 0.000 -1.741) 1.741 13.522 ( 0.000 0.000 23.771) 23.771 14.235 ( 0.000 0.000 -15.835) 15.835 14.670 ( 0.000 0.000 17.655) 17.655 14.949 ( 0.000 0.000 -24.885) 24.885 15.540 ( 0.000 0.000 -23.862) 23.862 16.338 ( 0.000 0.000 8.844) 8.844 16.436 ( 0.000 0.000 3.269) 3.269 16.587 ( 0.000 0.000 3.794) 3.794 16.739 ( 0.000 0.000 -4.142) 4.142 17.047 ( 0.000 0.000 4.526) 4.526 17.093 ( 0.000 0.000 0.875) 0.875 18.854 ( 0.000 0.000 -0.249) 0.249 18.869 ( 0.000 0.000 -0.914) 0.914 19.297 ( 0.000 0.000 10.083) 10.083 19.549 ( 0.000 0.000 -3.740) 3.740 ======================= Grid point 253 (82/120) ======================= q-point: ( 0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.055 ( -1.298 0.000 17.520) 17.568 2.298 ( 7.167 0.000 19.622) 20.890 2.397 ( -1.090 0.000 -4.162) 4.303 2.816 ( 6.689 0.000 -9.653) 11.744 2.918 ( 3.744 0.000 -12.176) 12.738 2.985 ( 6.655 0.000 -15.307) 16.691 3.095 ( -3.813 0.000 2.094) 4.351 3.339 ( -4.493 0.000 -8.494) 9.609 3.433 ( -0.570 0.000 6.325) 6.351 3.616 ( -5.569 0.000 -0.193) 5.572 4.069 ( 2.332 0.000 16.438) 16.603 4.478 ( -5.460 0.000 -7.739) 9.471 4.834 ( -2.092 0.000 2.204) 3.039 4.982 ( -1.879 0.000 -4.600) 4.969 5.711 ( -6.599 0.000 23.854) 24.750 5.721 ( -7.586 0.000 17.658) 19.219 6.369 ( -0.454 0.000 -11.297) 11.307 6.525 ( 1.935 0.000 12.450) 12.600 6.944 ( 4.965 0.000 11.620) 12.636 6.953 ( -13.047 0.000 -27.749) 30.663 7.005 ( 1.263 0.000 -11.048) 11.120 7.346 ( 7.402 0.000 -1.107) 7.484 7.379 ( -2.158 0.000 -7.772) 8.066 7.550 ( 7.903 0.000 -9.939) 12.698 7.953 ( -6.311 0.000 2.822) 6.913 8.165 ( 0.733 0.000 -7.850) 7.884 8.825 ( -5.179 0.000 0.907) 5.258 8.841 ( 8.763 0.000 12.640) 15.381 8.907 ( -4.841 0.000 -3.388) 5.909 9.253 ( -1.654 0.000 -0.741) 1.812 9.266 ( 5.386 0.000 -9.275) 10.725 9.359 ( 3.984 0.000 -5.476) 6.772 10.263 ( 5.892 0.000 8.928) 10.697 10.659 ( 3.129 0.000 -11.081) 11.514 11.194 ( 4.657 0.000 8.477) 9.672 11.195 ( -9.338 0.000 7.447) 11.944 11.310 ( 10.399 0.000 2.990) 10.821 11.318 ( -4.355 0.000 2.347) 4.947 11.661 ( -0.809 0.000 10.606) 10.637 12.164 ( 14.873 0.000 9.889) 17.860 12.172 ( -6.206 0.000 -0.390) 6.218 12.567 ( 10.480 0.000 -10.429) 14.785 12.840 ( 1.381 0.000 5.399) 5.573 13.276 ( -6.065 0.000 -1.994) 6.384 13.290 ( -1.495 0.000 -17.933) 17.995 13.646 ( 8.685 0.000 10.924) 13.956 14.159 ( -4.483 0.000 -3.512) 5.695 14.713 ( 4.438 0.000 19.425) 19.925 15.061 ( 9.417 0.000 -24.971) 26.688 15.592 ( 5.146 0.000 -22.635) 23.213 16.286 ( -4.075 0.000 9.746) 10.563 16.474 ( 2.608 0.000 0.395) 2.637 16.613 ( 2.522 0.000 3.602) 4.397 16.753 ( 1.381 0.000 -3.708) 3.956 17.031 ( -1.423 0.000 5.730) 5.904 17.095 ( 0.246 0.000 0.725) 0.766 18.801 ( -5.900 0.000 -0.618) 5.932 18.813 ( -4.458 0.000 -1.000) 4.569 19.268 ( -2.740 0.000 9.561) 9.946 19.517 ( -3.187 0.000 -3.926) 5.057 ======================= Grid point 254 (83/120) ======================= q-point: ( 0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( 0.164 0.000 9.641) 9.643 2.380 ( -0.801 0.000 -8.891) 8.927 2.476 ( 9.260 0.000 14.444) 17.158 2.904 ( 1.055 0.000 -1.326) 1.695 2.950 ( -4.800 0.000 -10.285) 11.350 3.050 ( 3.039 0.000 1.933) 3.602 3.107 ( 3.732 0.000 -10.801) 11.427 3.227 ( -5.290 0.000 -6.367) 8.278 3.448 ( 0.683 0.000 1.259) 1.432 3.499 ( -4.227 0.000 0.740) 4.292 4.176 ( 9.592 0.000 10.954) 14.560 4.361 ( -4.612 0.000 -3.252) 5.644 4.778 ( -3.079 0.000 2.481) 3.954 4.929 ( -3.332 0.000 -4.114) 5.294 5.537 ( -10.384 0.000 21.395) 23.782 5.577 ( -5.816 0.000 14.393) 15.524 6.265 ( -10.040 0.000 -19.441) 21.881 6.522 ( -8.873 0.000 -7.646) 11.712 6.705 ( -4.776 0.000 -5.985) 7.657 7.052 ( 3.129 0.000 -9.903) 10.386 7.094 ( 9.534 0.000 12.565) 15.772 7.366 ( 1.168 0.000 -2.237) 2.523 7.503 ( 7.432 0.000 -0.663) 7.462 7.691 ( 5.716 0.000 -8.770) 10.469 7.839 ( -5.142 0.000 5.810) 7.759 8.123 ( -4.391 0.000 -7.400) 8.605 8.707 ( -6.295 0.000 1.651) 6.508 8.752 ( -8.812 0.000 -0.120) 8.813 9.059 ( 11.928 0.000 10.006) 15.570 9.280 ( 4.599 0.000 2.375) 5.176 9.393 ( 6.461 0.000 -6.991) 9.520 9.488 ( 7.858 0.000 -7.286) 10.716 10.351 ( 1.228 0.000 4.735) 4.892 10.593 ( -9.703 0.000 -5.789) 11.299 11.094 ( -0.184 0.000 8.272) 8.274 11.324 ( 5.148 0.000 -1.806) 5.456 11.330 ( 7.555 0.000 15.055) 16.844 11.553 ( 11.439 0.000 7.484) 13.670 11.693 ( 7.120 0.000 -3.869) 8.103 12.020 ( -8.275 0.000 2.575) 8.666 12.400 ( 7.034 0.000 11.179) 13.208 12.795 ( 11.744 0.000 -3.765) 12.333 12.929 ( 7.303 0.000 -4.283) 8.467 13.127 ( -8.558 0.000 -3.231) 9.148 13.240 ( -3.548 0.000 -21.419) 21.711 13.664 ( -8.665 0.000 -20.432) 22.193 14.256 ( 15.584 0.000 26.197) 30.482 14.859 ( 10.363 0.000 23.149) 25.363 15.253 ( 8.428 0.000 -22.111) 23.663 15.739 ( 9.319 0.000 -19.338) 21.466 16.185 ( -6.288 0.000 11.359) 12.984 16.517 ( 1.358 0.000 -4.831) 5.018 16.682 ( 4.225 0.000 3.189) 5.293 16.793 ( 2.535 0.000 -2.596) 3.628 17.002 ( -1.059 0.000 7.666) 7.739 17.103 ( 0.504 0.000 0.760) 0.912 18.643 ( -9.104 0.000 -0.550) 9.121 18.696 ( -7.087 0.000 -2.939) 7.672 19.196 ( -4.134 0.000 7.829) 8.853 19.426 ( -5.756 0.000 -4.304) 7.187 ======================= Grid point 255 (84/120) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.069 ( 2.842 0.000 2.386) 3.711 2.350 ( -2.612 0.000 -11.818) 12.103 2.602 ( 2.122 0.000 5.152) 5.572 2.809 ( -7.980 0.000 -5.924) 9.938 2.896 ( -0.392 0.000 3.641) 3.662 3.098 ( -3.781 0.000 -4.894) 6.185 3.103 ( 2.837 0.000 2.308) 3.657 3.216 ( 3.458 0.000 -1.646) 3.830 3.402 ( -2.764 0.000 -1.392) 3.095 3.462 ( -2.952 0.000 -1.913) 3.517 4.361 ( 5.570 0.000 4.351) 7.068 4.467 ( 18.069 0.000 4.543) 18.631 4.730 ( -1.363 0.000 0.825) 1.593 4.855 ( -3.890 0.000 -3.752) 5.404 5.311 ( -11.326 0.000 14.494) 18.394 5.508 ( -0.775 0.000 7.739) 7.778 6.009 ( -14.245 0.000 -17.691) 22.713 6.146 ( -23.599 0.000 -21.488) 31.917 6.790 ( 8.229 0.000 9.282) 12.405 7.109 ( 1.893 0.000 -6.396) 6.671 7.294 ( 9.578 0.000 10.171) 13.971 7.410 ( 2.653 0.000 2.299) 3.511 7.627 ( 4.947 0.000 -1.409) 5.143 7.753 ( -3.092 0.000 5.005) 5.883 7.766 ( 1.541 0.000 -7.027) 7.194 8.007 ( -6.891 0.000 -5.869) 9.051 8.584 ( -5.430 0.000 2.216) 5.865 8.609 ( -5.177 0.000 1.979) 5.542 9.286 ( 10.237 0.000 7.345) 12.599 9.424 ( 9.196 0.000 4.286) 10.146 9.499 ( 3.663 0.000 -3.461) 5.039 9.643 ( 7.023 0.000 -6.023) 9.252 10.294 ( -6.354 0.000 0.327) 6.362 10.362 ( -11.221 0.000 -1.930) 11.386 11.170 ( 6.628 0.000 10.170) 12.139 11.432 ( 3.451 0.000 -0.141) 3.454 11.441 ( 3.727 0.000 18.038) 18.419 11.716 ( 3.169 0.000 2.219) 3.869 11.896 ( 0.484 0.000 6.302) 6.320 11.965 ( 15.445 0.000 -6.186) 16.638 12.499 ( 5.214 0.000 6.293) 8.172 12.953 ( -7.905 0.000 -4.761) 9.228 12.985 ( 3.043 0.000 -2.739) 4.094 13.064 ( 5.675 0.000 -7.625) 9.505 13.169 ( -1.178 0.000 -22.514) 22.545 13.407 ( -15.180 0.000 -20.321) 25.365 14.648 ( 20.962 0.000 20.816) 29.542 15.127 ( 15.993 0.000 24.374) 29.152 15.358 ( 1.301 0.000 -14.609) 14.667 15.949 ( 9.369 0.000 -15.842) 18.405 16.031 ( -7.398 0.000 14.809) 16.555 16.512 ( -2.393 0.000 -8.984) 9.298 16.773 ( 4.524 0.000 2.770) 5.305 16.847 ( 2.506 0.000 -1.042) 2.714 17.003 ( 1.269 0.000 8.175) 8.273 17.111 ( 0.109 0.000 1.858) 1.861 18.468 ( -7.481 0.000 -1.966) 7.735 18.544 ( -7.629 0.000 -5.158) 9.209 19.121 ( -2.838 0.000 4.609) 5.413 19.296 ( -6.828 0.000 -4.290) 8.064 ======================= Grid point 256 (85/120) ======================= q-point: ( 0.44 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( 5.352 0.000 -4.761) 7.163 2.267 ( -5.440 0.000 -10.352) 11.694 2.604 ( 0.334 0.000 -1.649) 1.682 2.663 ( -5.641 0.000 -4.604) 7.281 2.920 ( 2.920 0.000 2.853) 4.082 3.003 ( -4.947 0.000 -0.429) 4.965 3.201 ( 5.296 0.000 4.865) 7.192 3.261 ( -0.125 0.000 2.268) 2.271 3.363 ( -0.697 0.000 -2.030) 2.146 3.388 ( -3.154 0.000 -2.102) 3.791 4.554 ( 12.066 0.000 11.299) 16.531 4.730 ( 1.411 0.000 -1.776) 2.268 4.732 ( 0.425 0.000 12.389) 12.396 4.780 ( -3.345 0.000 -3.227) 4.648 5.225 ( 10.192 0.000 -6.822) 12.264 5.557 ( 5.815 0.000 -0.992) 5.899 5.643 ( -25.483 0.000 -17.753) 31.058 5.738 ( -11.916 0.000 -10.421) 15.831 6.969 ( 8.658 0.000 6.105) 10.594 7.098 ( -3.533 0.000 -0.171) 3.537 7.437 ( 3.831 0.000 8.666) 9.475 7.455 ( 1.330 0.000 6.211) 6.352 7.707 ( 3.191 0.000 -3.642) 4.842 7.745 ( 3.021 0.000 0.518) 3.065 7.759 ( -1.850 0.000 -5.596) 5.893 7.860 ( -7.359 0.000 -3.519) 8.157 8.517 ( -1.099 0.000 3.260) 3.440 8.533 ( -2.420 0.000 2.632) 3.575 9.453 ( 6.166 0.000 4.281) 7.506 9.527 ( -1.086 0.000 0.555) 1.219 9.619 ( 9.238 0.000 3.150) 9.760 9.729 ( -0.085 0.000 -1.962) 1.964 10.155 ( -3.909 0.000 -0.836) 3.997 10.193 ( -6.075 0.000 -2.310) 6.499 11.316 ( 7.139 0.000 9.918) 12.220 11.429 ( -3.493 0.000 6.370) 7.265 11.518 ( 4.619 0.000 12.549) 13.372 11.633 ( -6.526 0.000 7.020) 9.584 12.070 ( 10.681 0.000 4.010) 11.409 12.179 ( 2.715 0.000 -0.036) 2.715 12.653 ( 9.942 0.000 -3.789) 10.639 12.866 ( -10.347 0.000 -9.441) 14.007 12.885 ( 3.626 0.000 -10.914) 11.501 13.096 ( -14.912 0.000 -16.685) 22.377 13.172 ( 3.600 0.000 -8.596) 9.319 13.196 ( 1.026 0.000 -12.107) 12.151 15.035 ( 16.745 0.000 9.063) 19.041 15.290 ( -8.231 0.000 -3.508) 8.947 15.465 ( 16.887 0.000 21.548) 27.376 15.778 ( -13.914 0.000 16.656) 21.703 16.205 ( 11.750 0.000 -11.008) 16.102 16.408 ( -7.961 0.000 -10.614) 13.268 16.850 ( 2.885 0.000 2.175) 3.613 16.878 ( 0.225 0.000 0.814) 0.845 17.048 ( 2.838 0.000 7.012) 7.564 17.097 ( -1.693 0.000 4.541) 4.846 18.374 ( -1.427 0.000 -4.722) 4.932 18.413 ( -4.878 0.000 -6.206) 7.893 19.102 ( 1.209 0.000 0.419) 1.279 19.170 ( -5.314 0.000 -2.918) 6.062 ======================= Grid point 261 (86/120) ======================= q-point: ( 0.00 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( 0.000 -7.218 15.466) 17.068 2.131 ( 0.000 4.554 16.638) 17.250 2.386 ( 0.000 -0.126 1.215) 1.222 2.811 ( 0.000 6.643 -10.289) 12.247 2.890 ( 0.000 -0.722 -9.052) 9.080 2.951 ( 0.000 4.944 -16.777) 17.490 3.140 ( 0.000 0.880 3.635) 3.740 3.317 ( 0.000 -9.189 -2.695) 9.576 3.378 ( 0.000 -5.548 2.384) 6.039 3.613 ( 0.000 -4.202 -6.467) 7.712 3.970 ( 0.000 -7.728 13.132) 15.237 4.401 ( 0.000 -11.351 -9.556) 14.838 5.028 ( 0.000 16.768 6.321) 17.920 5.223 ( 0.000 19.393 -4.018) 19.804 5.791 ( 0.000 2.144 23.034) 23.134 5.878 ( 0.000 5.812 19.346) 20.200 6.367 ( 0.000 1.205 -1.444) 1.881 6.480 ( 0.000 -2.373 13.808) 14.010 6.866 ( 0.000 -2.851 7.905) 8.403 6.971 ( 0.000 -2.375 -10.042) 10.319 7.136 ( 0.000 1.910 -31.135) 31.194 7.198 ( 0.000 -6.315 -1.140) 6.417 7.343 ( 0.000 -6.972 -9.382) 11.689 7.456 ( 0.000 1.272 -11.222) 11.294 8.167 ( 0.000 7.862 -2.443) 8.233 8.187 ( 0.000 9.717 -4.334) 10.640 8.666 ( 0.000 -6.428 9.751) 11.679 8.834 ( 0.000 -8.289 -3.286) 8.917 8.931 ( 0.000 1.073 0.406) 1.147 9.177 ( 0.000 -4.139 -8.456) 9.414 9.240 ( 0.000 -4.371 -2.864) 5.225 9.280 ( 0.000 -4.373 -4.193) 6.058 10.237 ( 0.000 4.754 10.905) 11.896 10.593 ( 0.000 -0.034 -6.165) 6.165 11.254 ( 0.000 7.334 6.617) 9.878 11.276 ( 0.000 7.729 2.042) 7.994 11.337 ( 0.000 -0.012 3.641) 3.641 11.366 ( 0.000 0.015 2.574) 2.574 11.676 ( 0.000 0.729 14.478) 14.497 11.950 ( 0.000 -0.722 9.864) 9.890 12.299 ( 0.000 4.457 -2.626) 5.174 12.460 ( 0.000 1.686 -13.918) 14.020 12.838 ( 0.000 0.939 1.938) 2.154 13.087 ( 0.000 -14.391 -5.950) 15.572 13.405 ( 0.000 5.790 5.730) 8.146 13.765 ( 0.000 16.735 16.546) 23.533 14.300 ( 0.000 6.728 -19.348) 20.485 14.656 ( 0.000 -1.032 15.510) 15.544 15.000 ( 0.000 4.992 -22.815) 23.355 15.534 ( 0.000 -0.480 -23.584) 23.589 16.193 ( 0.000 -14.754 9.357) 17.471 16.306 ( 0.000 -23.990 6.304) 24.804 16.391 ( 0.000 -6.253 0.883) 6.316 16.607 ( 0.000 -10.872 -7.550) 13.237 17.096 ( 0.000 2.816 5.512) 6.189 17.132 ( 0.000 2.214 3.116) 3.822 18.932 ( 0.000 5.936 -0.098) 5.936 18.946 ( 0.000 8.358 -0.667) 8.385 19.312 ( 0.000 1.768 9.445) 9.609 19.556 ( 0.000 0.625 -3.748) 3.800 ======================= Grid point 262 (87/120) ======================= q-point: ( 0.11 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.092 ( -1.754 2.461 11.833) 12.213 2.219 ( 6.699 -5.522 14.017) 16.488 2.388 ( 0.553 0.555 -0.541) 0.953 2.823 ( -0.568 -1.535 -6.810) 7.004 2.916 ( 5.660 2.903 -9.803) 11.686 3.044 ( 2.300 0.937 -8.046) 8.420 3.135 ( 1.839 5.318 -0.387) 5.641 3.287 ( -1.806 -6.016 -2.508) 6.763 3.378 ( -0.020 -5.604 -0.372) 5.617 3.543 ( -6.138 -4.758 -4.927) 9.197 3.973 ( 0.626 -8.755 11.283) 14.295 4.340 ( -5.702 -11.342 -8.455) 15.253 5.014 ( -1.585 17.050 6.551) 18.334 5.208 ( -1.505 19.721 -3.858) 20.151 5.711 ( -6.746 1.605 22.404) 23.452 5.782 ( -8.203 4.914 19.509) 21.727 6.391 ( 0.056 2.112 -9.883) 10.106 6.502 ( 2.122 -1.953 12.640) 12.965 6.889 ( 1.915 -3.729 3.933) 5.748 6.945 ( -12.540 -1.641 -23.490) 26.678 7.033 ( 4.645 1.228 -5.401) 7.229 7.279 ( 7.161 -6.738 -0.182) 9.834 7.367 ( -0.695 -1.943 -10.829) 11.023 7.530 ( 6.732 -1.176 -9.531) 11.728 8.054 ( -6.204 9.179 1.893) 11.239 8.212 ( -1.140 4.141 -6.251) 7.585 8.721 ( 0.677 -5.677 2.951) 6.433 8.760 ( -4.484 -9.415 0.544) 10.442 8.979 ( 4.837 4.689 3.704) 7.687 9.193 ( 1.694 -4.097 -1.925) 4.834 9.279 ( 3.932 -0.777 -6.654) 7.768 9.347 ( 7.159 -1.321 -6.569) 9.805 10.292 ( 4.498 3.132 9.938) 11.349 10.652 ( 3.343 -0.470 -7.347) 8.086 11.147 ( -9.865 -3.210 7.606) 12.864 11.251 ( -6.382 -3.999 4.663) 8.858 11.297 ( 4.382 8.905 6.757) 12.007 11.428 ( 8.276 8.566 -0.975) 11.951 11.695 ( 1.386 3.540 10.448) 11.119 12.131 ( 11.673 -1.193 5.776) 13.079 12.232 ( -4.144 3.565 2.174) 5.883 12.577 ( 9.775 0.860 -10.539) 14.400 12.830 ( 0.557 -0.749 0.881) 1.284 13.114 ( 1.228 -11.658 -12.002) 16.777 13.350 ( -4.753 6.157 3.025) 8.346 13.856 ( 6.981 16.787 9.933) 20.717 14.196 ( -6.763 3.666 -7.154) 10.505 14.712 ( 5.208 0.346 17.430) 18.195 15.108 ( 9.025 4.514 -23.670) 25.731 15.588 ( 5.324 -0.331 -22.449) 23.074 16.173 ( -1.878 -12.482 9.872) 16.025 16.337 ( 2.959 -24.446 5.301) 25.189 16.398 ( 0.577 -7.598 0.122) 7.621 16.621 ( 1.297 -10.467 -7.410) 12.890 17.074 ( -1.984 2.196 6.348) 7.004 17.127 ( -0.542 1.417 2.823) 3.205 18.875 ( -5.382 6.708 0.127) 8.602 18.909 ( -3.646 8.807 -1.365) 9.629 19.285 ( -2.627 1.865 8.923) 9.486 19.525 ( -3.077 0.730 -3.931) 5.045 ======================= Grid point 263 (88/120) ======================= q-point: ( 0.22 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( 0.057 3.119 6.290) 7.021 2.334 ( 2.373 -4.286 -4.393) 6.580 2.457 ( 7.509 -0.262 8.684) 11.483 2.818 ( -0.369 -6.355 -1.874) 6.636 2.972 ( -6.556 -0.798 0.941) 6.671 3.004 ( 2.105 -2.581 -2.164) 3.971 3.180 ( -1.712 2.857 -5.460) 6.396 3.272 ( -0.563 3.963 -7.230) 8.264 3.396 ( 1.308 -4.612 -2.973) 5.641 3.444 ( -0.971 -3.847 -2.892) 4.910 4.023 ( 5.147 -12.520 6.464) 15.001 4.210 ( -5.732 -11.848 -4.860) 14.030 4.968 ( -2.476 16.206 6.867) 17.774 5.165 ( -2.683 19.903 -3.689) 20.419 5.554 ( -10.654 2.077 21.598) 24.172 5.617 ( -4.976 4.489 13.977) 15.501 6.294 ( -9.996 2.884 -18.993) 21.656 6.510 ( -8.626 -0.760 -8.848) 12.380 6.692 ( -3.470 -1.242 -2.529) 4.470 6.969 ( 4.820 -4.294 -0.691) 6.492 7.177 ( 8.347 3.523 2.394) 9.371 7.368 ( 1.474 0.043 -3.730) 4.011 7.443 ( 8.420 -5.825 1.599) 10.363 7.646 ( 4.063 -2.417 -6.593) 8.113 7.957 ( -3.191 9.271 3.095) 10.282 8.158 ( -3.770 2.379 -5.827) 7.337 8.627 ( -6.095 -7.201 1.408) 9.539 8.656 ( -7.552 -8.461 -0.183) 11.343 9.161 ( 11.427 9.365 7.392) 16.520 9.267 ( 5.931 -1.101 2.538) 6.545 9.398 ( 7.256 -0.317 -6.481) 9.734 9.516 ( 8.570 3.219 -7.601) 11.899 10.354 ( 0.114 0.484 5.913) 5.934 10.586 ( -10.427 -0.312 -4.187) 11.241 11.030 ( -1.161 -5.884 8.255) 10.203 11.218 ( 4.375 -9.129 1.249) 10.200 11.432 ( 8.112 9.594 13.688) 18.580 11.630 ( 9.315 6.688 3.146) 11.891 11.754 ( 6.891 5.022 -3.311) 9.147 12.072 ( -7.035 5.742 0.474) 9.093 12.362 ( 5.855 -3.876 10.068) 12.274 12.787 ( 10.228 -1.135 -3.296) 10.806 12.910 ( 7.103 -0.844 -6.028) 9.355 13.093 ( -3.463 -7.686 -15.108) 17.301 13.246 ( -4.705 6.473 -3.766) 8.844 13.812 ( -11.775 12.605 -21.398) 27.485 14.289 ( 16.019 3.283 26.677) 31.290 14.867 ( 10.413 1.068 20.870) 23.348 15.289 ( 7.717 3.082 -20.886) 22.478 15.740 ( 9.580 0.119 -19.344) 21.587 16.117 ( -3.976 -7.835 10.815) 13.934 16.407 ( 1.894 -16.394 -2.600) 16.706 16.424 ( 3.990 -17.875 4.589) 18.881 16.649 ( 1.105 -10.085 -6.315) 11.951 17.028 ( -2.304 0.124 7.354) 7.708 17.110 ( -1.225 -1.021 2.371) 2.857 18.739 ( -7.569 8.825 0.060) 11.627 18.810 ( -5.908 10.323 -3.165) 12.308 19.215 ( -4.044 2.004 7.284) 8.569 19.437 ( -5.577 1.010 -4.307) 7.118 ======================= Grid point 264 (89/120) ======================= q-point: ( 0.33 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.101 ( 2.805 3.214 1.024) 4.387 2.337 ( -1.636 -1.003 -10.640) 10.812 2.590 ( 3.431 -0.584 4.732) 5.874 2.789 ( -4.119 -3.163 -2.723) 5.864 2.852 ( -2.639 -3.908 6.946) 8.396 3.006 ( -1.797 -6.443 1.087) 6.777 3.125 ( -0.686 0.601 -2.662) 2.814 3.254 ( -0.872 0.908 -4.578) 4.748 3.397 ( -0.867 -0.269 -2.895) 3.034 3.452 ( -0.845 -0.076 -3.832) 3.925 4.127 ( 3.265 -17.557 2.960) 18.102 4.219 ( 7.561 -16.473 -0.119) 18.125 4.958 ( 2.726 13.930 4.121) 14.780 5.110 ( -2.304 18.810 -3.893) 19.346 5.317 ( -11.431 1.040 13.505) 17.724 5.587 ( 1.232 9.443 8.822) 12.981 6.011 ( -17.863 -0.324 -18.614) 25.801 6.178 ( -18.322 4.435 -19.326) 26.997 6.800 ( 8.903 1.330 10.053) 13.494 7.061 ( 3.728 -3.049 -1.831) 5.152 7.333 ( 6.433 1.382 3.955) 7.677 7.411 ( 2.172 -0.261 0.436) 2.231 7.593 ( 5.878 -2.360 2.697) 6.884 7.710 ( 4.046 0.432 -3.090) 5.109 7.911 ( -2.515 9.112 1.121) 9.519 8.073 ( -4.532 4.894 -4.514) 8.054 8.503 ( -6.243 -7.784 1.831) 10.145 8.515 ( -5.386 -8.968 2.124) 10.674 9.375 ( 9.417 8.430 4.991) 13.589 9.425 ( 9.243 0.375 4.279) 10.192 9.539 ( 6.014 3.621 -2.792) 7.555 9.666 ( 6.330 3.287 -5.250) 8.857 10.276 ( -7.407 -1.752 0.786) 7.652 10.337 ( -12.055 -1.987 -1.364) 12.293 11.084 ( 5.560 -8.107 10.084) 14.083 11.321 ( 3.304 -9.854 1.232) 10.466 11.569 ( 4.901 11.393 17.289) 21.277 11.773 ( 4.773 4.917 0.340) 6.861 11.920 ( 2.622 0.967 -0.202) 2.802 12.037 ( 9.844 8.760 -2.074) 13.340 12.443 ( 4.365 -5.532 4.100) 8.153 12.895 ( -0.395 -2.129 -1.274) 2.513 12.981 ( -7.584 -7.222 -15.674) 18.851 13.071 ( 7.601 1.978 -7.473) 10.841 13.216 ( 2.303 7.748 -8.921) 12.038 13.529 ( -15.005 11.008 -18.123) 25.976 14.666 ( 19.688 1.476 19.434) 27.703 15.123 ( 14.215 -0.491 19.443) 24.090 15.387 ( 2.096 2.381 -10.963) 11.412 15.951 ( 8.698 -0.083 -14.895) 17.248 16.005 ( -5.070 -2.761 12.806) 14.047 16.426 ( 0.070 -10.738 -6.635) 12.623 16.527 ( 5.178 -21.754 3.875) 22.696 16.655 ( -0.445 -12.443 -2.476) 12.695 16.993 ( -1.053 -3.325 7.033) 7.850 17.078 ( -1.873 -4.476 2.446) 5.434 18.601 ( -5.457 11.965 -1.408) 13.226 18.686 ( -6.098 12.691 -5.058) 14.961 19.141 ( -2.856 1.955 4.292) 5.514 19.311 ( -6.659 1.347 -4.302) 8.041 ======================= Grid point 265 (90/120) ======================= q-point: ( 0.44 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.178 ( 4.641 2.535 -4.031) 6.649 2.273 ( -4.416 0.773 -8.506) 9.615 2.614 ( 1.034 1.130 -1.727) 2.308 2.674 ( -5.078 0.953 -3.670) 6.337 2.872 ( 2.933 -5.153 5.774) 8.276 2.945 ( -3.866 -5.602 2.793) 7.357 3.165 ( 3.086 -2.955 -0.499) 4.301 3.220 ( -2.499 -3.607 -1.733) 4.718 3.391 ( 0.888 2.239 -0.847) 2.553 3.422 ( -1.603 2.715 -1.742) 3.602 4.230 ( 6.268 -21.157 5.965) 22.858 4.313 ( -0.297 -21.880 3.478) 22.157 5.041 ( 1.726 14.010 1.719) 14.220 5.088 ( -2.929 14.589 1.988) 15.013 5.227 ( 10.753 0.436 -6.994) 12.835 5.593 ( -19.698 -2.860 -14.912) 24.871 5.671 ( 4.595 12.684 -0.517) 13.501 5.862 ( -12.871 12.036 -9.690) 20.110 6.981 ( 8.089 1.294 6.708) 10.587 7.087 ( -1.904 -0.709 1.566) 2.565 7.417 ( 2.150 -1.509 3.289) 4.209 7.436 ( 0.113 -1.529 2.202) 2.683 7.695 ( 5.637 0.789 2.144) 6.082 7.814 ( -2.779 4.410 -0.467) 5.234 7.845 ( 4.061 8.070 -1.418) 9.145 7.974 ( -5.735 9.006 -3.347) 11.189 8.420 ( -1.658 -9.752 3.419) 10.466 8.433 ( -2.626 -9.943 2.933) 10.694 9.527 ( 5.466 7.284 3.350) 9.703 9.576 ( 1.920 4.139 -0.084) 4.564 9.644 ( 7.424 3.855 4.293) 9.402 9.749 ( 0.096 2.439 -1.144) 2.696 10.116 ( -4.624 -3.607 -0.959) 5.943 10.156 ( -6.611 -3.436 -2.630) 7.902 11.212 ( 6.457 -9.519 9.128) 14.684 11.317 ( -3.391 -9.795 5.562) 11.764 11.651 ( 3.870 10.951 11.490) 16.337 11.735 ( -4.563 8.669 5.530) 11.249 12.080 ( 10.061 1.745 3.491) 10.792 12.194 ( 1.179 2.857 1.712) 3.533 12.578 ( 9.238 -6.806 -6.484) 13.180 12.789 ( -10.869 -7.400 -13.528) 18.866 12.917 ( 5.931 1.642 -8.469) 10.469 13.107 ( -7.921 -0.502 -12.661) 14.943 13.273 ( 1.996 8.974 -7.429) 11.820 13.302 ( -3.661 13.553 -9.527) 16.966 15.029 ( 15.635 -1.391 7.755) 17.508 15.256 ( -5.513 -3.991 -2.075) 7.115 15.509 ( 13.652 4.154 18.426) 23.306 15.787 ( -12.579 0.813 15.995) 20.365 16.194 ( 10.929 -1.331 -11.198) 15.704 16.372 ( -6.114 -4.688 -10.266) 12.835 16.610 ( 2.991 -21.018 3.232) 21.474 16.646 ( -0.616 -18.525 1.661) 18.609 16.992 ( 1.160 -6.387 6.082) 8.896 17.034 ( -2.512 -6.790 4.002) 8.272 18.541 ( -0.397 14.607 -3.967) 15.142 18.581 ( -4.038 14.749 -5.582) 16.279 19.120 ( 1.141 1.760 0.294) 2.118 19.187 ( -5.213 1.592 -2.963) 6.204 ======================= Grid point 270 (91/120) ======================= q-point: ( 0.00 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.037 ( 0.000 -1.202 8.205) 8.293 2.171 ( 0.000 0.627 -0.236) 0.670 2.516 ( 0.000 12.705 14.051) 18.944 2.773 ( 0.000 -10.421 -3.098) 10.872 2.926 ( 0.000 3.225 -1.128) 3.417 3.042 ( 0.000 -13.544 -7.940) 15.700 3.083 ( 0.000 5.225 -10.587) 11.806 3.194 ( 0.000 3.361 4.191) 5.372 3.304 ( 0.000 -1.057 -7.831) 7.902 3.561 ( 0.000 -1.967 -8.443) 8.670 3.784 ( 0.000 -10.697 6.665) 12.603 4.157 ( 0.000 -14.084 -10.083) 17.321 5.428 ( 0.000 23.988 10.461) 26.170 5.635 ( 0.000 22.371 -2.972) 22.567 5.879 ( 0.000 6.996 22.481) 23.544 6.018 ( 0.000 8.481 18.976) 20.785 6.359 ( 0.000 -3.381 9.644) 10.219 6.429 ( 0.000 -2.673 11.981) 12.276 6.806 ( 0.000 -2.726 2.137) 3.464 6.917 ( 0.000 -3.296 -9.122) 9.700 7.010 ( 0.000 -11.963 1.622) 12.072 7.158 ( 0.000 -12.196 -7.816) 14.485 7.204 ( 0.000 4.241 -30.467) 30.761 7.455 ( 0.000 -1.740 -16.587) 16.678 8.350 ( 0.000 10.123 -1.455) 10.227 8.406 ( 0.000 12.028 -3.656) 12.571 8.560 ( 0.000 -3.465 6.082) 7.000 8.660 ( 0.000 -8.922 -3.209) 9.481 8.904 ( 0.000 -4.007 -0.904) 4.108 9.040 ( 0.000 -9.559 -5.530) 11.043 9.162 ( 0.000 -3.140 -3.766) 4.903 9.200 ( 0.000 -3.914 -5.076) 6.410 10.356 ( 0.000 7.282 11.946) 13.990 10.599 ( 0.000 0.255 1.012) 1.044 11.277 ( 0.000 -2.006 5.864) 6.197 11.286 ( 0.000 -2.869 7.755) 8.269 11.467 ( 0.000 9.025 -0.687) 9.051 11.509 ( 0.000 9.823 -6.048) 11.536 11.734 ( 0.000 6.544 18.270) 19.407 11.955 ( 0.000 1.535 9.158) 9.286 12.341 ( 0.000 -0.570 -1.545) 1.647 12.488 ( 0.000 0.200 -14.399) 14.400 12.840 ( 0.000 -10.421 -4.799) 11.473 12.868 ( 0.000 1.051 -12.875) 12.918 13.586 ( 0.000 13.943 18.482) 23.152 14.050 ( 0.000 11.539 21.449) 24.356 14.484 ( 0.000 12.640 -25.311) 28.292 14.658 ( 0.000 2.058 13.101) 13.262 15.107 ( 0.000 4.940 -20.331) 20.923 15.529 ( 0.000 -0.240 -21.332) 21.333 15.752 ( 0.000 -31.318 6.047) 31.896 15.848 ( 0.000 -18.990 4.333) 19.478 16.256 ( 0.000 -7.911 1.726) 8.097 16.387 ( 0.000 -11.983 -7.708) 14.248 17.127 ( 0.000 0.715 6.230) 6.271 17.151 ( 0.000 -0.025 5.071) 5.071 19.054 ( 0.000 6.026 1.776) 6.282 19.100 ( 0.000 6.268 0.532) 6.291 19.373 ( 0.000 4.780 6.015) 7.683 19.566 ( 0.000 0.117 -3.463) 3.465 ======================= Grid point 271 (92/120) ======================= q-point: ( 0.11 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.088 ( 4.253 -0.588 5.226) 6.764 2.184 ( 1.746 1.001 1.616) 2.581 2.492 ( -1.312 10.487 8.830) 13.772 2.734 ( -2.581 -8.383 -2.358) 9.083 2.940 ( -1.154 -5.554 4.279) 7.106 3.020 ( -4.288 -3.428 -0.764) 5.543 3.113 ( 7.194 -1.735 -11.163) 13.393 3.259 ( 1.729 -2.089 -4.095) 4.912 3.300 ( 1.459 3.327 -5.533) 6.619 3.499 ( -4.998 -0.559 -8.826) 10.158 3.784 ( 0.150 -9.869 5.228) 11.169 4.108 ( -4.659 -12.580 -9.353) 16.353 5.405 ( -3.397 22.314 10.272) 24.798 5.615 ( -2.725 20.478 -1.751) 20.732 5.783 ( -5.950 6.370 23.577) 25.136 5.898 ( -9.471 7.522 15.860) 19.946 6.428 ( 3.871 0.771 0.644) 3.999 6.478 ( 3.233 0.207 7.426) 8.102 6.812 ( 1.576 -4.721 2.272) 5.471 6.879 ( -13.297 -5.623 -16.719) 22.090 7.022 ( 6.053 -2.815 -3.344) 7.467 7.103 ( 7.165 -10.836 1.089) 13.036 7.328 ( 3.727 -0.741 -17.192) 17.606 7.505 ( 4.931 -2.096 -12.111) 13.243 8.229 ( -9.241 6.478 1.125) 11.341 8.271 ( -6.550 1.377 -2.340) 7.091 8.575 ( -3.632 -7.350 1.218) 8.289 8.663 ( -2.669 -0.100 -3.396) 4.320 9.022 ( 13.413 -0.429 3.764) 13.938 9.145 ( 6.458 -0.236 -2.790) 7.038 9.236 ( 5.270 -3.339 -5.234) 8.143 9.306 ( 12.623 -2.903 -7.713) 15.075 10.381 ( 1.846 6.108 11.732) 13.355 10.648 ( 3.621 -0.199 -0.401) 3.648 11.085 ( -13.388 -3.202 7.576) 15.713 11.152 ( -10.943 -5.508 4.862) 13.181 11.514 ( 4.878 11.962 3.481) 13.379 11.588 ( 6.543 7.262 -4.722) 10.856 11.807 ( 4.999 8.853 12.264) 15.930 12.111 ( 11.626 -0.961 7.676) 13.965 12.279 ( -4.888 0.887 -0.733) 5.022 12.570 ( 6.167 -3.602 -11.087) 13.188 12.791 ( 0.530 -3.170 -5.567) 6.428 12.957 ( 4.199 -3.730 -15.214) 16.218 13.527 ( -5.145 13.121 14.690) 20.357 14.143 ( 8.324 7.930 24.578) 27.134 14.319 ( -11.783 13.078 -20.983) 27.389 14.752 ( 6.574 4.471 12.439) 14.762 15.192 ( 6.632 2.275 -21.129) 22.262 15.583 ( 5.331 -0.884 -19.753) 20.479 15.789 ( 3.695 -29.906 5.329) 30.601 15.867 ( 1.924 -16.540 4.589) 17.272 16.246 ( -0.836 -7.952 1.608) 8.156 16.413 ( 2.387 -11.406 -8.385) 14.356 17.092 ( -3.386 0.056 6.754) 7.556 17.128 ( -2.330 -0.995 4.823) 5.448 19.012 ( -3.865 6.835 1.851) 8.068 19.073 ( -2.607 6.800 -0.193) 7.285 19.346 ( -2.626 4.704 5.644) 7.802 19.537 ( -2.874 0.213 -3.666) 4.663 ======================= Grid point 272 (93/120) ======================= q-point: ( 0.22 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( 1.613 4.565 0.329) 4.852 2.267 ( 5.414 -1.598 0.268) 5.651 2.505 ( 3.253 5.628 5.181) 8.313 2.692 ( -1.475 -6.893 0.698) 7.084 2.886 ( -4.475 -9.991 6.643) 12.806 2.925 ( -4.248 -3.693 3.299) 6.524 3.204 ( -2.388 -0.424 -7.934) 8.296 3.241 ( -1.599 -5.652 -9.183) 10.901 3.337 ( 3.171 -1.393 -3.077) 4.632 3.456 ( 1.018 3.319 -8.575) 9.251 3.807 ( 2.492 -8.635 1.722) 9.151 3.992 ( -6.011 -10.110 -6.908) 13.641 5.272 ( -8.374 13.309 11.100) 19.248 5.483 ( -9.818 7.168 9.406) 15.371 5.678 ( -9.292 14.861 4.589) 18.118 5.788 ( 3.068 14.979 13.911) 20.671 6.359 ( -11.859 3.151 -18.275) 22.012 6.511 ( -7.960 1.286 -13.472) 15.700 6.671 ( 3.796 -0.413 8.017) 8.880 6.893 ( 5.726 -4.728 2.547) 7.850 7.178 ( 7.491 -3.264 -0.316) 8.177 7.305 ( 11.463 -8.138 4.233) 14.681 7.381 ( 2.897 1.753 -7.182) 7.940 7.609 ( 4.787 -2.196 -6.248) 8.172 8.102 ( -3.346 2.886 1.538) 4.679 8.149 ( -5.210 -3.759 -2.059) 6.747 8.471 ( -6.471 -5.902 1.697) 8.920 8.547 ( -7.423 -2.025 -2.033) 7.958 9.251 ( 8.177 -0.187 2.916) 8.684 9.337 ( 9.134 3.112 0.173) 9.652 9.401 ( 14.310 5.732 -3.510) 15.810 9.591 ( 13.394 3.801 -7.952) 16.033 10.381 ( -3.318 2.940 9.175) 10.190 10.600 ( -11.403 2.174 -1.319) 11.683 10.901 ( -3.656 -7.450 7.577) 11.237 11.006 ( -0.016 -12.758 4.433) 13.506 11.657 ( 9.322 12.593 8.534) 17.841 11.751 ( 8.421 4.893 -2.975) 10.184 11.887 ( 3.039 10.484 1.597) 11.032 12.191 ( -2.623 3.436 1.021) 4.442 12.280 ( 3.818 -2.715 3.623) 5.922 12.691 ( 5.883 -10.911 -5.523) 13.571 12.895 ( 7.484 0.732 -8.171) 11.105 13.018 ( 2.564 0.253 -14.898) 15.119 13.417 ( -4.509 11.844 8.316) 15.158 14.037 ( -13.738 7.715 -15.104) 21.826 14.392 ( 13.584 9.205 20.125) 25.967 14.910 ( 9.236 3.704 14.439) 17.536 15.311 ( 4.796 -3.407 -15.818) 16.876 15.724 ( 7.809 -6.575 -13.409) 16.853 15.879 ( 4.041 -15.218 2.631) 15.963 15.942 ( 6.515 -17.460 3.525) 18.967 16.229 ( -0.772 -7.366 1.655) 7.589 16.468 ( 2.640 -9.659 -9.215) 13.609 17.000 ( -5.498 -2.298 7.498) 9.577 17.057 ( -4.630 -3.781 4.314) 7.372 18.918 ( -4.908 8.977 1.398) 10.326 19.005 ( -3.805 8.427 -2.061) 9.473 19.273 ( -4.337 4.294 4.615) 7.652 19.454 ( -5.244 0.473 -4.109) 6.679 ======================= Grid point 273 (94/120) ======================= q-point: ( 0.33 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( 2.577 5.613 -0.477) 6.195 2.332 ( 0.642 0.870 -6.041) 6.137 2.604 ( 4.603 2.343 3.645) 6.321 2.680 ( 1.008 -6.798 4.991) 8.494 2.769 ( -5.827 -5.847 3.942) 9.148 2.868 ( -2.199 -6.951 5.918) 9.390 3.123 ( -2.647 -1.311 -6.765) 7.381 3.204 ( -2.723 -5.522 -6.722) 9.116 3.396 ( 2.109 0.184 -4.226) 4.727 3.468 ( -0.229 0.476 -5.646) 5.671 3.849 ( 0.075 -10.029 0.769) 10.059 3.932 ( 1.177 -12.636 -3.183) 13.084 5.151 ( -2.194 6.312 6.040) 9.007 5.282 ( -8.519 0.222 10.602) 13.602 5.484 ( -9.801 14.452 -6.952) 18.795 5.858 ( -2.389 11.404 0.155) 11.653 6.024 ( -13.064 8.445 -10.247) 18.628 6.348 ( -7.530 13.586 -12.939) 20.216 6.843 ( 9.698 2.796 10.475) 14.547 7.011 ( 5.273 -3.144 2.296) 6.555 7.309 ( 5.685 -2.674 -0.340) 6.292 7.405 ( 1.431 -0.985 -2.849) 3.337 7.546 ( 8.937 -3.135 5.615) 11.010 7.721 ( 7.764 -0.725 -1.553) 7.951 8.044 ( -4.951 0.085 0.001) 4.952 8.089 ( 0.578 -3.299 0.204) 3.356 8.327 ( -7.231 -6.754 3.073) 10.361 8.390 ( -8.288 -1.916 -0.425) 8.517 9.429 ( 9.759 0.745 2.234) 10.039 9.497 ( 7.947 1.024 -0.716) 8.045 9.693 ( 12.689 13.967 0.889) 18.892 9.792 ( 5.992 9.629 -3.100) 11.757 10.236 ( -9.952 -1.979 2.762) 10.516 10.319 ( -13.889 0.839 -0.480) 13.922 10.895 ( 2.810 -11.184 9.137) 14.713 11.071 ( 2.809 -16.014 3.684) 16.671 11.831 ( 3.337 12.556 11.022) 17.037 11.884 ( 6.933 8.681 0.868) 11.144 11.960 ( 5.501 4.603 -6.158) 9.454 12.218 ( 5.410 5.573 0.594) 7.789 12.329 ( 3.166 -3.801 -1.153) 5.079 12.742 ( -1.565 -12.919 -11.586) 17.424 12.931 ( -4.081 2.127 -1.521) 4.847 13.112 ( 4.432 1.340 -8.757) 9.905 13.414 ( 4.756 13.466 0.164) 14.283 13.779 ( -10.778 14.139 -13.906) 22.571 14.673 ( 13.831 -1.513 13.862) 19.641 15.084 ( 6.037 -5.360 4.648) 9.316 15.410 ( 6.706 -0.507 1.757) 6.951 15.842 ( 2.257 -13.996 2.473) 14.391 15.966 ( 5.797 -1.618 -3.216) 6.824 16.090 ( 6.318 -16.529 -1.076) 17.728 16.229 ( 1.616 -5.902 2.014) 6.442 16.495 ( -0.538 -6.214 -7.404) 9.681 16.890 ( -4.914 -6.489 6.946) 10.700 16.951 ( -5.557 -7.962 3.669) 10.379 18.839 ( -2.581 11.650 -0.314) 11.936 18.931 ( -3.445 11.283 -4.268) 12.545 19.188 ( -3.642 2.966 2.889) 5.515 19.335 ( -6.371 0.767 -4.245) 7.694 ======================= Grid point 274 (95/120) ======================= q-point: ( 0.44 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.246 ( 3.223 4.682 -1.328) 5.837 2.307 ( -2.573 3.067 -3.654) 5.420 2.642 ( 0.872 0.488 -0.660) 1.198 2.678 ( -3.096 -2.541 0.771) 4.079 2.750 ( 4.429 -4.653 5.281) 8.316 2.824 ( -2.637 -5.447 5.085) 7.905 3.103 ( 0.046 -4.003 -6.869) 7.951 3.135 ( -3.246 -5.559 -5.540) 8.493 3.437 ( 2.231 2.628 -0.916) 3.567 3.468 ( -0.161 1.958 -2.245) 2.983 3.868 ( 2.739 -15.790 3.573) 16.419 3.935 ( -2.381 -17.128 1.091) 17.327 5.194 ( 1.351 3.137 1.224) 3.628 5.221 ( 6.997 1.129 -4.158) 8.217 5.306 ( -5.802 6.875 -8.015) 12.049 5.533 ( -18.817 -3.250 -14.365) 23.896 6.058 ( 6.449 26.030 3.238) 27.012 6.198 ( -7.360 22.901 -4.381) 24.451 7.012 ( 6.317 1.256 6.910) 9.446 7.074 ( 0.324 -1.280 3.680) 3.909 7.395 ( 2.530 -0.431 -0.209) 2.575 7.417 ( -0.088 -0.347 -0.689) 0.776 7.698 ( 7.918 -2.625 4.140) 9.313 7.852 ( -3.336 -3.790 -2.434) 5.605 7.978 ( 5.608 4.466 3.652) 8.046 8.106 ( -0.949 1.749 -0.655) 2.095 8.214 ( -3.848 -8.180 3.630) 9.741 8.223 ( -6.628 -7.564 2.511) 10.366 9.626 ( 8.654 2.009 1.146) 8.957 9.658 ( 7.305 3.911 -0.189) 8.288 9.816 ( -1.596 10.240 5.346) 11.661 9.862 ( 0.430 11.809 4.380) 12.603 10.048 ( -4.445 -2.757 -2.857) 5.960 10.110 ( -6.845 1.582 -3.770) 7.973 10.981 ( 5.002 -14.668 8.323) 17.591 11.068 ( -2.942 -16.277 5.787) 17.524 11.864 ( 1.599 9.504 1.471) 9.749 11.902 ( -1.820 9.024 -0.775) 9.238 12.176 ( 11.321 9.022 6.374) 15.818 12.301 ( 0.082 4.364 3.437) 5.556 12.439 ( 7.411 -4.861 -7.237) 11.442 12.625 ( -9.716 -7.849 -13.795) 18.609 12.900 ( 4.673 -3.523 -2.084) 6.213 13.068 ( -8.378 -3.841 -6.861) 11.490 13.544 ( 6.299 19.277 -4.778) 20.835 13.640 ( -4.078 21.289 -9.585) 23.701 14.926 ( 10.989 -11.439 3.556) 16.255 15.091 ( -4.822 -15.058 -3.840) 16.271 15.604 ( 11.262 5.513 15.276) 19.763 15.795 ( -6.604 -0.471 12.192) 13.873 16.088 ( 5.179 -12.067 -2.684) 13.403 16.147 ( -0.363 -15.919 -1.840) 16.029 16.316 ( 6.134 -2.996 0.063) 6.827 16.436 ( -5.080 -2.939 -3.523) 6.845 16.826 ( -0.920 -10.342 4.968) 11.510 16.856 ( -3.511 -11.232 3.353) 12.236 18.824 ( 1.027 13.747 -2.828) 14.072 18.868 ( -2.912 13.935 -4.725) 15.000 19.153 ( 0.667 1.255 -0.129) 1.427 19.215 ( -5.073 0.885 -3.127) 6.025 ======================= Grid point 279 (96/120) ======================= q-point: ( 0.00 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( 0.000 6.496 4.625) 7.974 2.190 ( 0.000 -0.603 1.133) 1.283 2.563 ( 0.000 -3.601 -1.958) 4.099 2.690 ( 0.000 -14.721 -1.870) 14.839 2.838 ( 0.000 15.898 10.132) 18.852 3.053 ( 0.000 2.135 -4.283) 4.786 3.108 ( 0.000 -4.041 -0.045) 4.041 3.171 ( 0.000 -4.331 -1.957) 4.752 3.384 ( 0.000 7.150 -7.740) 10.538 3.513 ( 0.000 -5.231 -9.146) 10.536 3.679 ( 0.000 4.240 -3.045) 5.220 3.884 ( 0.000 -14.107 -9.651) 17.092 5.874 ( 0.000 20.439 6.945) 21.587 5.980 ( 0.000 10.248 -0.887) 10.286 6.036 ( 0.000 9.266 22.707) 24.525 6.179 ( 0.000 7.916 17.944) 19.613 6.243 ( 0.000 -8.886 15.579) 17.935 6.329 ( 0.000 -8.523 20.709) 22.394 6.780 ( 0.000 -1.461 -0.475) 1.536 6.825 ( 0.000 -2.039 -5.936) 6.276 6.842 ( 0.000 -5.153 -6.286) 8.128 6.916 ( 0.000 -11.059 -7.327) 13.266 7.297 ( 0.000 5.274 -26.790) 27.305 7.393 ( 0.000 -4.527 -21.922) 22.384 8.453 ( 0.000 1.299 1.315) 1.849 8.504 ( 0.000 -4.244 1.297) 4.437 8.628 ( 0.000 9.923 0.324) 9.928 8.634 ( 0.000 8.818 -5.876) 10.596 8.796 ( 0.000 -6.869 -4.016) 7.957 8.842 ( 0.000 -10.920 -3.578) 11.492 9.127 ( 0.000 -0.601 -4.220) 4.263 9.141 ( 0.000 -2.060 -4.633) 5.071 10.491 ( 0.000 6.440 11.055) 12.794 10.581 ( 0.000 -2.737 7.057) 7.569 11.242 ( 0.000 -1.315 6.851) 6.976 11.243 ( 0.000 -1.251 5.967) 6.097 11.587 ( 0.000 4.095 -1.281) 4.291 11.621 ( 0.000 1.369 -2.202) 2.593 11.912 ( 0.000 9.762 16.583) 19.243 12.001 ( 0.000 1.325 8.459) 8.562 12.316 ( 0.000 0.241 -2.640) 2.651 12.411 ( 0.000 -7.715 -11.282) 13.668 12.760 ( 0.000 1.906 -9.183) 9.379 12.836 ( 0.000 -4.218 -14.954) 15.537 13.910 ( 0.000 17.833 16.653) 24.399 14.135 ( 0.000 -3.761 15.600) 16.047 14.763 ( 0.000 14.991 -12.727) 19.665 14.765 ( 0.000 9.787 16.361) 19.065 15.094 ( 0.000 -8.136 -19.326) 20.968 15.174 ( 0.000 -24.538 5.260) 25.096 15.560 ( 0.000 1.127 -19.222) 19.255 15.596 ( 0.000 -5.388 -8.867) 10.375 16.135 ( 0.000 -3.185 0.513) 3.226 16.184 ( 0.000 -8.044 -4.059) 9.010 17.135 ( 0.000 0.328 6.275) 6.283 17.143 ( 0.000 -0.549 5.934) 5.960 19.141 ( 0.000 2.984 3.337) 4.477 19.163 ( 0.000 0.766 3.238) 3.327 19.476 ( 0.000 5.248 0.697) 5.294 19.549 ( 0.000 -2.226 -2.229) 3.150 ======================= Grid point 280 (97/120) ======================= q-point: ( 0.11 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( 4.089 5.479 3.874) 7.858 2.214 ( 2.291 0.094 1.681) 2.844 2.570 ( 0.654 -3.163 -1.582) 3.596 2.684 ( -0.825 -11.662 -2.307) 11.916 2.754 ( -5.472 11.784 8.284) 15.408 2.968 ( -7.380 -7.074 3.127) 10.690 3.157 ( 4.419 3.478 -7.195) 9.132 3.220 ( 0.492 -1.951 -7.251) 7.524 3.350 ( -2.238 3.621 -0.992) 4.371 3.467 ( -2.909 -5.849 -6.575) 9.269 3.710 ( 2.395 4.817 -4.915) 7.287 3.880 ( -0.804 -11.191 -9.473) 14.684 5.743 ( -13.928 10.226 13.236) 21.766 5.815 ( -14.521 1.767 15.727) 21.478 6.009 ( 3.408 15.008 12.539) 19.851 6.098 ( -2.426 10.064 2.211) 10.586 6.424 ( 9.985 -0.279 12.621) 16.096 6.474 ( 8.874 -2.690 11.871) 15.064 6.697 ( -5.004 -5.508 -4.036) 8.466 6.735 ( -11.869 -8.112 -10.272) 17.669 6.940 ( 7.570 -3.004 -1.935) 8.371 6.958 ( 9.062 -3.878 -2.379) 10.140 7.360 ( 4.307 3.640 -19.530) 20.328 7.442 ( 4.314 -4.377 -16.536) 17.641 8.240 ( -12.123 -0.649 -0.193) 12.142 8.266 ( -13.071 -2.886 -1.243) 13.444 8.576 ( -2.911 5.606 1.361) 6.462 8.663 ( -6.206 -2.017 -2.549) 7.006 9.028 ( 18.299 2.684 1.225) 18.536 9.113 ( 14.374 -4.717 -2.618) 15.353 9.206 ( 9.034 1.365 -5.840) 10.844 9.249 ( 13.286 -2.808 -7.663) 15.592 10.511 ( 1.439 7.037 11.385) 13.461 10.618 ( 3.450 -3.623 6.676) 8.342 11.041 ( -15.805 -0.828 6.445) 17.088 11.065 ( -14.402 -3.250 5.258) 15.672 11.673 ( 6.588 4.559 -1.189) 8.100 11.698 ( 5.742 2.979 -1.868) 6.733 12.006 ( 7.638 10.253 13.400) 18.521 12.111 ( 8.795 0.127 6.618) 11.007 12.273 ( -3.420 0.691 -0.999) 3.629 12.408 ( -0.506 -11.060 -8.615) 14.028 12.802 ( 4.885 3.876 -10.873) 12.534 12.891 ( 4.756 -4.547 -15.148) 16.515 13.838 ( -6.169 18.008 14.360) 23.844 14.113 ( -3.221 -9.027 12.557) 15.796 14.677 ( -1.913 21.626 -2.940) 21.908 14.894 ( 7.075 10.181 9.013) 15.327 15.087 ( -0.996 -14.541 -16.046) 21.677 15.211 ( 4.070 -23.921 8.267) 25.635 15.636 ( 7.526 2.142 -17.303) 18.990 15.676 ( 6.720 -3.417 -9.913) 12.454 16.137 ( 0.445 -1.919 0.112) 1.973 16.210 ( 2.527 -8.812 -5.330) 10.604 17.092 ( -4.227 0.225 6.527) 7.780 17.105 ( -3.812 -1.111 5.900) 7.111 19.113 ( -2.610 3.532 3.172) 5.417 19.141 ( -2.081 0.717 2.747) 3.520 19.448 ( -2.740 5.244 0.365) 5.928 19.521 ( -2.757 -2.200 -2.504) 4.326 ======================= Grid point 281 (98/120) ======================= q-point: ( 0.22 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( 4.532 4.442 1.167) 6.452 2.277 ( 4.060 0.939 3.359) 5.352 2.583 ( 0.397 -2.325 -0.619) 2.439 2.653 ( -0.931 5.426 -1.205) 5.636 2.679 ( -2.630 -6.021 8.192) 10.501 2.832 ( -5.514 -7.166 3.768) 9.796 3.150 ( -3.235 -1.426 -10.971) 11.527 3.177 ( -4.850 -2.778 -8.767) 10.397 3.355 ( 2.749 3.347 -0.417) 4.351 3.443 ( -0.180 -4.665 -1.609) 4.938 3.753 ( 1.601 2.640 -5.986) 6.735 3.842 ( -2.895 -6.078 -8.209) 10.617 5.441 ( -14.176 5.507 14.398) 20.942 5.508 ( -14.897 -1.696 16.172) 22.053 5.985 ( -10.247 13.802 -7.501) 18.755 6.085 ( -0.478 8.070 0.530) 8.101 6.416 ( -9.439 7.651 -9.342) 15.327 6.572 ( 1.430 2.812 -9.706) 10.206 6.672 ( 9.911 -0.524 11.305) 15.043 6.730 ( 7.600 -12.212 11.401) 18.354 7.118 ( 8.979 -0.711 -0.188) 9.009 7.170 ( 10.839 -5.468 0.838) 12.169 7.438 ( 3.694 4.352 -9.052) 10.702 7.538 ( 4.893 -5.368 -8.337) 11.057 8.045 ( -7.285 -2.867 -0.014) 7.829 8.068 ( -6.700 -4.648 -0.458) 8.168 8.479 ( -6.213 3.925 1.511) 7.502 8.532 ( -6.836 -1.154 -0.815) 6.981 9.264 ( 8.873 1.554 1.375) 9.113 9.306 ( 8.232 -2.641 -1.112) 8.716 9.558 ( 20.865 6.764 -4.701) 22.432 9.628 ( 20.025 -0.552 -7.550) 21.408 10.495 ( -5.524 9.577 11.477) 15.936 10.669 ( -9.008 4.740 1.499) 10.289 10.723 ( -4.852 -12.463 9.456) 16.379 10.789 ( -10.120 -7.906 4.176) 13.504 11.823 ( 7.967 3.891 -0.692) 8.893 11.841 ( 8.804 3.860 -1.129) 9.679 12.140 ( 3.343 15.012 3.154) 15.700 12.188 ( -0.462 1.674 2.786) 3.283 12.262 ( 1.910 -3.045 -0.372) 3.614 12.430 ( 3.583 -15.132 -4.146) 16.093 12.946 ( 8.083 3.693 -9.460) 12.980 13.008 ( 6.500 -2.215 -12.824) 14.547 13.710 ( -5.044 18.028 10.829) 21.627 14.006 ( -6.038 -10.502 4.553) 12.941 14.674 ( 0.192 18.959 -2.426) 19.114 14.974 ( -2.393 -3.289 -8.367) 9.303 15.145 ( 10.352 -5.657 10.623) 15.875 15.340 ( 8.830 -20.217 12.458) 25.335 15.813 ( 7.634 0.017 -8.281) 11.263 15.825 ( 8.246 -0.070 -11.549) 14.191 16.164 ( 2.559 1.579 -1.729) 3.469 16.282 ( 4.542 -9.316 -8.052) 13.125 16.970 ( -7.811 -0.387 7.047) 10.527 16.992 ( -7.380 -2.640 5.835) 9.771 19.052 ( -3.000 4.782 2.290) 6.092 19.092 ( -2.449 0.830 1.337) 2.910 19.370 ( -4.925 5.135 -0.472) 7.131 19.441 ( -5.043 -2.111 -3.169) 6.319 ======================= Grid point 282 (99/120) ======================= q-point: ( 0.33 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( 2.613 5.902 1.986) 6.753 2.359 ( 3.208 0.640 1.117) 3.457 2.575 ( -1.514 -2.770 5.707) 6.522 2.617 ( -3.072 -5.320 7.359) 9.587 2.691 ( 4.172 3.050 -4.141) 6.623 2.768 ( -0.371 -4.204 1.672) 4.539 3.079 ( -3.503 -2.251 -6.506) 7.725 3.096 ( -3.397 -4.173 -8.432) 10.003 3.405 ( 2.717 1.088 -2.555) 3.885 3.443 ( 0.546 -2.529 -2.136) 3.356 3.754 ( -2.567 -1.165 -3.746) 4.688 3.777 ( -2.973 -3.862 -5.126) 7.073 5.228 ( -6.017 2.649 7.951) 10.317 5.266 ( -8.025 -1.460 9.842) 12.783 5.706 ( -15.926 9.056 -13.453) 22.730 5.842 ( -19.012 -5.512 -16.308) 25.647 6.428 ( 6.895 24.279 5.743) 25.884 6.635 ( 3.617 11.994 -5.973) 13.878 6.853 ( 6.892 -4.984 9.170) 12.507 6.894 ( 7.784 -7.780 7.901) 13.548 7.280 ( 7.277 0.588 -0.468) 7.316 7.342 ( 5.701 -5.005 -1.453) 7.724 7.518 ( 3.890 1.900 0.329) 4.342 7.631 ( 3.884 -8.435 -2.761) 9.689 7.948 ( -1.816 -1.912 1.814) 3.200 7.997 ( -0.232 -5.830 0.569) 5.862 8.339 ( -7.589 3.959 2.479) 8.912 8.386 ( -7.944 -0.631 0.290) 7.974 9.450 ( 9.946 1.466 1.069) 10.110 9.481 ( 9.412 -1.659 -0.560) 9.574 9.914 ( 12.028 7.854 -1.532) 14.447 9.973 ( 13.234 4.077 -4.835) 14.667 10.271 ( -13.285 8.614 7.643) 17.582 10.370 ( -12.123 2.774 1.959) 12.589 10.691 ( -1.914 -8.480 7.058) 11.198 10.754 ( 0.369 -15.047 5.864) 16.153 11.953 ( 4.333 5.452 -2.106) 7.276 12.043 ( 10.211 -0.860 -2.114) 10.463 12.127 ( -1.335 9.941 -8.325) 13.035 12.234 ( 2.855 5.323 6.517) 8.885 12.318 ( 5.197 -1.367 -5.243) 7.508 12.494 ( 3.062 -12.649 -2.153) 13.191 13.007 ( -4.385 5.289 -0.988) 6.941 13.095 ( -0.506 -3.207 -5.687) 6.548 13.731 ( 8.583 18.413 3.067) 20.546 13.957 ( 3.072 -0.311 -3.569) 4.719 14.645 ( -3.253 3.004 -2.120) 4.909 14.865 ( -7.624 -16.066 -10.328) 20.564 15.418 ( 15.206 3.026 16.704) 22.791 15.553 ( 11.668 -11.979 13.184) 21.294 15.918 ( 3.118 -0.501 -1.508) 3.499 15.951 ( 2.942 -3.113 -4.941) 6.539 16.252 ( 6.141 5.737 -4.606) 9.583 16.378 ( 4.490 -6.577 -8.071) 11.339 16.793 ( -9.231 -2.488 6.919) 11.801 16.819 ( -9.420 -4.948 5.373) 11.920 19.011 ( -0.703 6.151 0.415) 6.205 19.059 ( -0.509 1.648 -0.937) 1.962 19.259 ( -5.867 4.427 -1.316) 7.467 19.326 ( -6.270 -2.013 -3.738) 7.573 ======================= Grid point 283 (100/120) ======================= q-point: ( 0.44 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( 2.792 6.729 3.392) 8.036 2.392 ( -0.127 5.421 1.841) 5.726 2.535 ( -1.087 -8.140 7.825) 11.343 2.558 ( -2.775 -7.678 5.470) 9.827 2.795 ( 5.217 5.340 -5.554) 9.305 2.815 ( 3.464 2.988 -2.022) 5.002 3.003 ( -3.912 -5.624 -7.431) 10.107 3.011 ( -4.479 -6.472 -6.094) 9.954 3.487 ( 4.591 2.242 -0.557) 5.139 3.499 ( 4.946 1.239 -1.567) 5.334 3.666 ( -4.514 -5.025 0.544) 6.777 3.696 ( -5.538 -7.681 -1.051) 9.527 5.222 ( 3.999 0.754 -1.752) 4.430 5.231 ( 6.260 -0.067 -2.890) 6.895 5.404 ( -13.051 3.928 -10.902) 17.453 5.471 ( -16.437 -3.319 -12.815) 21.105 6.572 ( 6.509 26.040 4.687) 27.248 6.661 ( -1.735 23.239 -0.002) 23.303 6.957 ( 3.867 -10.357 5.870) 12.517 6.992 ( 1.242 -8.860 4.826) 10.165 7.411 ( 4.800 2.135 -0.501) 5.277 7.423 ( 2.914 1.194 -0.766) 3.241 7.564 ( 1.553 -7.680 1.774) 8.034 7.633 ( -3.765 -13.749 -1.519) 14.336 8.015 ( 7.838 1.532 3.726) 8.813 8.056 ( 5.743 -2.650 2.126) 6.672 8.182 ( -7.982 2.422 3.265) 8.958 8.213 ( -9.128 -0.021 1.654) 9.276 9.662 ( 11.013 1.861 1.158) 11.229 9.686 ( 10.956 -0.290 0.226) 10.962 9.900 ( -9.864 1.782 2.284) 10.281 9.946 ( -12.536 -2.996 1.267) 12.951 10.244 ( 7.182 19.844 2.510) 21.252 10.303 ( 1.428 15.788 0.434) 15.858 10.670 ( 0.456 -17.035 6.537) 18.252 10.719 ( -3.315 -19.379 5.093) 20.310 12.018 ( 3.083 8.233 -5.320) 10.276 12.084 ( -3.114 10.093 -8.393) 13.491 12.191 ( 5.043 -9.507 -6.993) 12.834 12.270 ( -1.909 -6.969 -7.188) 10.192 12.484 ( 12.317 10.263 4.705) 16.709 12.628 ( 7.467 1.398 1.130) 7.680 12.827 ( -8.674 0.184 4.604) 9.822 12.954 ( -11.673 -8.076 -0.270) 14.197 13.974 ( 12.052 24.511 -3.910) 27.592 14.075 ( 3.743 21.979 -8.143) 23.736 14.581 ( -0.643 -21.192 -2.373) 21.334 14.687 ( -9.243 -24.867 -7.182) 27.484 15.703 ( 11.962 4.588 13.018) 18.265 15.767 ( 7.977 -2.155 9.183) 12.353 15.921 ( -2.799 -3.581 5.057) 6.799 15.944 ( -3.088 -5.564 1.666) 6.578 16.383 ( 6.084 6.864 -2.103) 9.411 16.442 ( 1.127 2.033 -3.309) 4.044 16.635 ( -5.311 -8.499 3.882) 10.748 16.647 ( -6.368 -9.135 2.874) 11.500 19.030 ( 2.453 7.628 -1.889) 8.233 19.069 ( 0.423 5.965 -3.499) 6.929 19.159 ( -2.711 -0.002 -1.358) 3.032 19.204 ( -5.363 -2.329 -3.351) 6.739 ======================= Grid point 315 (101/120) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.448 ( 0.000 0.000 -15.954) 15.954 2.448 ( 0.000 0.000 15.954) 15.954 2.555 ( 0.000 0.000 -15.867) 15.867 2.555 ( 0.000 0.000 15.867) 15.867 2.587 ( 0.000 0.000 -17.131) 17.131 2.587 ( 0.000 0.000 17.131) 17.131 3.233 ( 0.000 0.000 -7.003) 7.003 3.233 ( 0.000 0.000 7.003) 7.003 3.592 ( 0.000 0.000 -6.975) 6.975 3.592 ( 0.000 0.000 6.975) 6.975 4.339 ( 0.000 0.000 -12.229) 12.229 4.339 ( 0.000 0.000 12.229) 12.229 4.911 ( 0.000 0.000 -4.083) 4.083 4.911 ( 0.000 0.000 4.083) 4.083 6.138 ( 0.000 0.000 -15.570) 15.570 6.138 ( 0.000 0.000 15.570) 15.570 6.362 ( 0.000 0.000 -32.934) 32.934 6.362 ( 0.000 0.000 32.934) 32.934 6.815 ( 0.000 0.000 -7.893) 7.893 6.815 ( 0.000 0.000 7.893) 7.893 7.162 ( 0.000 0.000 -15.186) 15.186 7.162 ( 0.000 0.000 15.186) 15.186 7.303 ( 0.000 0.000 -5.123) 5.123 7.303 ( 0.000 0.000 5.123) 5.123 8.051 ( 0.000 0.000 -0.345) 0.345 8.051 ( 0.000 0.000 0.345) 0.345 8.888 ( 0.000 0.000 -0.502) 0.502 8.888 ( 0.000 0.000 0.502) 0.502 8.996 ( 0.000 0.000 -12.136) 12.136 8.996 ( 0.000 0.000 12.136) 12.136 9.282 ( 0.000 0.000 -1.370) 1.370 9.282 ( 0.000 0.000 1.370) 1.370 10.391 ( 0.000 0.000 -10.814) 10.814 10.391 ( 0.000 0.000 10.814) 10.814 11.211 ( 0.000 0.000 -0.774) 0.774 11.211 ( 0.000 0.000 0.774) 0.774 11.407 ( 0.000 0.000 -1.486) 1.486 11.407 ( 0.000 0.000 1.486) 1.486 12.016 ( 0.000 0.000 -18.401) 18.401 12.016 ( 0.000 0.000 18.401) 18.401 12.194 ( 0.000 0.000 -12.446) 12.446 12.194 ( 0.000 0.000 12.446) 12.446 13.028 ( 0.000 0.000 -12.273) 12.273 13.028 ( 0.000 0.000 12.273) 12.273 13.512 ( 0.000 0.000 -14.779) 14.779 13.512 ( 0.000 0.000 14.779) 14.779 14.431 ( 0.000 0.000 -27.292) 27.292 14.431 ( 0.000 0.000 27.292) 27.292 15.077 ( 0.000 0.000 -23.886) 23.886 15.077 ( 0.000 0.000 23.886) 23.886 16.446 ( 0.000 0.000 -2.467) 2.467 16.446 ( 0.000 0.000 2.467) 2.467 16.662 ( 0.000 0.000 -4.020) 4.020 16.662 ( 0.000 0.000 4.020) 4.020 17.095 ( 0.000 0.000 -0.884) 0.884 17.095 ( 0.000 0.000 0.884) 0.884 18.855 ( 0.000 0.000 -0.406) 0.406 18.855 ( 0.000 0.000 0.406) 0.406 19.453 ( 0.000 0.000 -6.485) 6.485 19.453 ( 0.000 0.000 6.485) 6.485 ======================= Grid point 317 (102/120) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( -6.663 0.000 -8.690) 10.951 2.312 ( -6.663 0.000 8.690) 10.951 2.635 ( 4.444 0.000 -16.086) 16.689 2.635 ( 4.444 0.000 16.086) 16.689 2.753 ( 11.991 0.000 -6.330) 13.559 2.753 ( 11.991 0.000 6.330) 13.559 3.195 ( -3.531 0.000 -6.604) 7.489 3.195 ( -3.531 0.000 6.604) 7.489 3.554 ( -3.300 0.000 -5.606) 6.505 3.554 ( -3.300 0.000 5.606) 6.505 4.313 ( -2.093 0.000 -10.000) 10.217 4.313 ( -2.093 0.000 10.000) 10.217 4.894 ( -1.726 0.000 -4.146) 4.491 4.894 ( -1.726 0.000 4.146) 4.491 6.069 ( -6.661 0.000 -18.123) 19.308 6.069 ( -6.661 0.000 18.123) 19.308 6.279 ( -8.270 0.000 -32.792) 33.819 6.279 ( -8.270 0.000 32.792) 33.819 6.810 ( 0.641 0.000 -9.774) 9.795 6.810 ( 0.641 0.000 9.774) 9.795 7.189 ( 2.989 0.000 -12.144) 12.507 7.189 ( 2.989 0.000 12.144) 12.507 7.394 ( 7.546 0.000 -5.909) 9.584 7.394 ( 7.546 0.000 5.909) 9.584 8.033 ( -1.903 0.000 -5.676) 5.986 8.033 ( -1.903 0.000 5.676) 5.986 8.853 ( -3.955 0.000 -2.175) 4.513 8.853 ( -3.955 0.000 2.175) 4.513 9.071 ( 6.909 0.000 -11.259) 13.209 9.071 ( 6.909 0.000 11.259) 13.209 9.277 ( 1.123 0.000 -3.009) 3.212 9.277 ( 1.123 0.000 3.009) 3.212 10.451 ( 4.095 0.000 -10.591) 11.355 10.451 ( 4.095 0.000 10.591) 11.355 11.295 ( 8.263 0.000 -3.377) 8.927 11.295 ( 8.263 0.000 3.377) 8.927 11.302 ( -7.103 0.000 -3.569) 7.949 11.302 ( -7.103 0.000 3.569) 7.949 11.971 ( -4.145 0.000 -17.519) 18.003 11.971 ( -4.145 0.000 17.519) 18.003 12.367 ( 14.200 0.000 -10.633) 17.740 12.367 ( 14.200 0.000 10.633) 17.740 13.001 ( -2.484 0.000 -11.895) 12.152 13.001 ( -2.484 0.000 11.895) 12.152 13.446 ( -6.238 0.000 -16.762) 17.885 13.446 ( -6.238 0.000 16.762) 17.885 14.537 ( 9.797 0.000 -28.876) 30.493 14.537 ( 9.797 0.000 28.876) 30.493 15.138 ( 6.063 0.000 -24.094) 24.845 15.138 ( 6.063 0.000 24.094) 24.845 16.430 ( -1.535 0.000 -5.042) 5.270 16.430 ( -1.535 0.000 5.042) 5.270 16.683 ( 2.062 0.000 -3.699) 4.235 16.683 ( 2.062 0.000 3.699) 4.235 17.094 ( -0.093 0.000 -1.275) 1.279 17.094 ( -0.093 0.000 1.275) 1.279 18.799 ( -5.423 0.000 -0.406) 5.439 18.799 ( -5.423 0.000 0.406) 5.439 19.420 ( -3.297 0.000 -6.417) 7.214 19.420 ( -3.297 0.000 6.417) 7.214 ======================= Grid point 319 (103/120) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( -3.539 0.000 -8.958) 9.631 2.212 ( -3.539 0.000 8.958) 9.631 2.726 ( 2.839 0.000 -12.182) 12.509 2.726 ( 2.839 0.000 12.182) 12.509 2.945 ( 5.971 0.000 -5.734) 8.278 2.945 ( 5.971 0.000 5.734) 8.278 3.124 ( -1.937 0.000 -4.648) 5.036 3.124 ( -1.937 0.000 4.648) 5.036 3.485 ( -3.176 0.000 -1.878) 3.690 3.485 ( -3.176 0.000 1.878) 3.690 4.299 ( 2.274 0.000 -3.679) 4.325 4.299 ( 2.274 0.000 3.679) 4.325 4.844 ( -3.155 0.000 -4.285) 5.322 4.844 ( -3.155 0.000 4.285) 5.322 5.896 ( -9.736 0.000 -18.610) 21.003 5.896 ( -9.736 0.000 18.610) 21.003 6.043 ( -14.824 0.000 -29.392) 32.919 6.043 ( -14.824 0.000 29.392) 32.919 6.862 ( 4.346 0.000 -10.498) 11.362 6.862 ( 4.346 0.000 10.498) 11.362 7.283 ( 6.066 0.000 -6.985) 9.252 7.283 ( 6.066 0.000 6.985) 9.252 7.548 ( 6.940 0.000 -5.456) 8.828 7.548 ( 6.940 0.000 5.456) 8.828 7.971 ( -4.209 0.000 -7.917) 8.967 7.971 ( -4.209 0.000 7.917) 8.967 8.737 ( -6.754 0.000 -1.377) 6.893 8.737 ( -6.754 0.000 1.377) 6.893 9.241 ( 9.282 0.000 -8.891) 12.853 9.241 ( 9.282 0.000 8.891) 12.853 9.362 ( 6.969 0.000 -5.780) 9.054 9.362 ( 6.969 0.000 5.780) 9.054 10.464 ( -4.042 0.000 -6.897) 7.995 10.464 ( -4.042 0.000 6.897) 7.995 11.240 ( 2.135 0.000 -6.531) 6.871 11.240 ( 2.135 0.000 6.531) 6.871 11.524 ( 13.781 0.000 -6.938) 15.430 11.524 ( 13.781 0.000 6.938) 15.430 11.871 ( -5.028 0.000 -15.000) 15.821 11.871 ( -5.028 0.000 15.000) 15.821 12.652 ( 11.920 0.000 -12.224) 17.074 12.652 ( 11.920 0.000 12.224) 17.074 12.944 ( -2.287 0.000 -7.376) 7.722 12.944 ( -2.287 0.000 7.376) 7.722 13.281 ( -9.924 0.000 -17.021) 19.703 13.281 ( -9.924 0.000 17.021) 19.703 14.780 ( 13.376 0.000 -27.036) 30.164 14.780 ( 13.376 0.000 27.036) 30.164 15.316 ( 11.427 0.000 -24.002) 26.583 15.316 ( 11.427 0.000 24.002) 26.583 16.385 ( -3.063 0.000 -8.967) 9.476 16.385 ( -3.063 0.000 8.967) 9.476 16.741 ( 3.595 0.000 -2.927) 4.636 16.741 ( 3.595 0.000 2.927) 4.636 17.094 ( 0.183 0.000 -2.239) 2.247 17.094 ( 0.183 0.000 2.239) 2.247 18.652 ( -8.765 0.000 -1.515) 8.895 18.652 ( -8.765 0.000 1.515) 8.895 19.328 ( -5.605 0.000 -6.011) 8.219 19.328 ( -5.605 0.000 6.011) 8.219 ======================= Grid point 321 (104/120) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( -1.951 0.000 -7.620) 7.866 2.159 ( -1.951 0.000 7.620) 7.866 2.695 ( -4.987 0.000 -5.321) 7.293 2.695 ( -4.987 0.000 5.321) 7.293 2.991 ( -0.253 0.000 -5.769) 5.774 2.991 ( -0.253 0.000 5.769) 5.774 3.168 ( 5.447 0.000 -3.440) 6.442 3.168 ( 5.447 0.000 3.440) 6.442 3.419 ( -3.658 0.000 -2.240) 4.289 3.419 ( -3.658 0.000 2.240) 4.289 4.449 ( 12.670 0.000 -4.212) 13.352 4.449 ( 12.670 0.000 4.212) 13.352 4.777 ( -3.231 0.000 -3.807) 4.993 4.777 ( -3.231 0.000 3.807) 4.993 5.699 ( -19.095 0.000 -23.803) 30.515 5.699 ( -19.095 0.000 23.803) 30.515 5.711 ( -8.092 0.000 -13.345) 15.606 5.711 ( -8.092 0.000 13.345) 15.606 6.969 ( 5.843 0.000 -8.603) 10.400 6.969 ( 5.843 0.000 8.603) 10.400 7.414 ( 6.574 0.000 -2.511) 7.037 7.414 ( 6.574 0.000 2.511) 7.037 7.652 ( 3.245 0.000 -4.144) 5.263 7.652 ( 3.245 0.000 4.144) 5.263 7.873 ( -5.238 0.000 -7.406) 9.071 7.873 ( -5.238 0.000 7.406) 9.071 8.617 ( -4.722 0.000 -0.918) 4.811 8.617 ( -4.722 0.000 0.918) 4.811 9.412 ( 7.230 0.000 -5.668) 9.187 9.412 ( 7.230 0.000 5.668) 9.187 9.528 ( 8.847 0.000 -6.047) 10.716 9.528 ( 8.847 0.000 6.047) 10.716 10.317 ( -9.062 0.000 -2.135) 9.310 10.317 ( -9.062 0.000 2.135) 9.310 11.348 ( 6.816 0.000 -7.820) 10.373 11.348 ( 6.816 0.000 7.820) 10.373 11.711 ( -0.920 0.000 -6.672) 6.735 11.711 ( -0.920 0.000 6.672) 6.735 11.896 ( 12.794 0.000 -1.762) 12.915 11.896 ( 12.794 0.000 1.762) 12.915 12.745 ( -2.010 0.000 -18.211) 18.322 12.745 ( -2.010 0.000 18.211) 18.322 12.986 ( 5.933 0.000 -2.489) 6.434 12.986 ( 5.933 0.000 2.489) 6.434 13.060 ( -11.801 0.000 -14.459) 18.664 13.060 ( -11.801 0.000 14.459) 18.664 15.032 ( 10.900 0.000 -19.124) 22.012 15.032 ( 10.900 0.000 19.124) 22.012 15.579 ( 14.165 0.000 -22.240) 26.368 15.579 ( 14.165 0.000 22.240) 26.368 16.301 ( -5.479 0.000 -12.921) 14.035 16.301 ( -5.479 0.000 12.921) 14.035 16.818 ( 3.853 0.000 -1.974) 4.329 16.818 ( 3.853 0.000 1.974) 4.329 17.106 ( 1.057 0.000 -2.692) 2.892 17.106 ( 1.057 0.000 2.692) 2.892 18.471 ( -8.607 0.000 -2.203) 8.885 18.471 ( -8.607 0.000 2.203) 8.885 19.210 ( -5.665 0.000 -4.683) 7.350 19.210 ( -5.665 0.000 4.683) 7.350 ======================= Grid point 323 (105/120) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( -0.761 0.000 -3.130) 3.222 2.131 ( -0.761 0.000 3.130) 3.222 2.601 ( -3.061 0.000 -1.547) 3.430 2.601 ( -3.061 0.000 1.547) 3.430 2.977 ( -0.607 0.000 -2.455) 2.529 2.977 ( -0.607 0.000 2.455) 2.529 3.269 ( 3.228 0.000 -1.702) 3.649 3.269 ( 3.228 0.000 1.702) 3.649 3.356 ( -1.996 0.000 -0.994) 2.230 3.356 ( -1.996 0.000 0.994) 2.230 4.728 ( -1.426 0.000 -1.638) 2.172 4.728 ( -1.426 0.000 1.638) 2.172 4.758 ( 15.555 0.000 -8.545) 17.747 4.758 ( 15.555 0.000 8.545) 17.747 5.313 ( -17.255 0.000 -14.974) 22.846 5.313 ( -17.255 0.000 14.974) 22.846 5.594 ( -3.136 0.000 -4.766) 5.705 5.594 ( -3.136 0.000 4.766) 5.705 7.067 ( 3.046 0.000 -3.544) 4.673 7.067 ( 3.046 0.000 3.544) 4.673 7.526 ( 3.817 0.000 -0.405) 3.838 7.526 ( 3.817 0.000 0.405) 3.838 7.684 ( 0.407 0.000 -1.625) 1.675 7.684 ( 0.407 0.000 1.625) 1.675 7.779 ( -3.404 0.000 -3.842) 5.133 7.779 ( -3.404 0.000 3.842) 5.133 8.554 ( -1.524 0.000 -0.464) 1.593 8.554 ( -1.524 0.000 0.464) 1.593 9.514 ( 2.684 0.000 -1.953) 3.320 9.514 ( 2.684 0.000 1.953) 3.320 9.682 ( 5.352 0.000 -3.097) 6.183 9.682 ( 5.352 0.000 3.097) 6.183 10.155 ( -5.600 0.000 -1.119) 5.711 10.155 ( -5.600 0.000 1.119) 5.711 11.458 ( 3.261 0.000 -3.742) 4.964 11.458 ( 3.261 0.000 3.742) 4.964 11.666 ( -1.587 0.000 -2.907) 3.312 11.666 ( -1.587 0.000 2.907) 3.312 12.165 ( 10.013 0.000 -4.071) 10.809 12.165 ( 10.013 0.000 4.071) 10.809 12.689 ( -2.014 0.000 -7.365) 7.636 12.689 ( -2.014 0.000 7.365) 7.636 12.840 ( -8.225 0.000 -7.631) 11.220 12.840 ( -8.225 0.000 7.631) 11.220 13.080 ( 2.539 0.000 -0.738) 2.644 13.080 ( 2.539 0.000 0.738) 2.644 15.188 ( 4.139 0.000 -6.882) 8.030 15.188 ( 4.139 0.000 6.882) 8.030 15.844 ( 10.683 0.000 -15.797) 19.070 15.844 ( 10.683 0.000 15.797) 19.070 16.168 ( -6.961 0.000 -12.812) 14.581 16.168 ( -6.961 0.000 12.812) 14.581 16.879 ( 1.791 0.000 -0.752) 1.942 16.879 ( 1.791 0.000 0.752) 1.943 17.129 ( 0.875 0.000 -1.321) 1.585 17.129 ( 0.875 0.000 1.321) 1.585 18.339 ( -3.819 0.000 -1.167) 3.994 18.339 ( -3.819 0.000 1.167) 3.994 19.123 ( -2.491 0.000 -1.854) 3.105 19.123 ( -2.491 0.000 1.854) 3.105 ======================= Grid point 333 (106/120) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.274 ( 0.000 -11.031 -0.586) 11.047 2.274 ( 0.000 -11.031 0.586) 11.047 2.614 ( 0.000 7.423 -17.288) 18.814 2.614 ( 0.000 7.423 17.288) 18.814 2.739 ( 0.000 8.181 -3.668) 8.965 2.739 ( 0.000 8.181 3.668) 8.965 3.234 ( 0.000 -1.630 -5.063) 5.318 3.234 ( 0.000 -1.630 5.063) 5.318 3.474 ( 0.000 -9.794 -7.061) 12.073 3.474 ( 0.000 -9.794 7.061) 12.073 4.204 ( 0.000 -11.395 -11.218) 15.991 4.204 ( 0.000 -11.395 11.218) 15.991 5.135 ( 0.000 19.736 -5.018) 20.364 5.135 ( 0.000 19.736 5.018) 20.364 6.170 ( 0.000 3.322 -15.690) 16.038 6.170 ( 0.000 3.322 15.690) 16.038 6.396 ( 0.000 3.466 -30.861) 31.055 6.396 ( 0.000 3.466 30.861) 31.055 6.800 ( 0.000 -1.490 -6.997) 7.154 6.800 ( 0.000 -1.490 6.997) 7.154 7.121 ( 0.000 -4.314 -14.353) 14.987 7.121 ( 0.000 -4.314 14.353) 14.987 7.260 ( 0.000 -4.475 -7.126) 8.414 7.260 ( 0.000 -4.475 7.126) 8.414 8.144 ( 0.000 9.082 -0.324) 9.087 8.144 ( 0.000 9.082 0.324) 9.087 8.784 ( 0.000 -8.343 -2.981) 8.860 8.784 ( 0.000 -8.343 2.981) 8.860 9.013 ( 0.000 -0.702 -7.816) 7.847 9.013 ( 0.000 -0.702 7.816) 7.847 9.227 ( 0.000 -4.903 -1.291) 5.070 9.227 ( 0.000 -4.903 1.291) 5.070 10.437 ( 0.000 4.487 -9.764) 10.745 10.437 ( 0.000 4.487 9.764) 10.745 11.289 ( 0.000 7.430 -0.400) 7.441 11.289 ( 0.000 7.430 0.400) 7.441 11.387 ( 0.000 -1.877 -1.117) 2.184 11.387 ( 0.000 -1.877 1.117) 2.184 12.006 ( 0.000 0.354 -13.776) 13.781 12.006 ( 0.000 0.354 13.776) 13.781 12.240 ( 0.000 3.365 -7.325) 8.061 12.240 ( 0.000 3.365 7.325) 8.061 12.914 ( 0.000 -9.291 -8.052) 12.295 12.914 ( 0.000 -9.291 8.052) 12.295 13.680 ( 0.000 14.945 -18.866) 24.068 13.680 ( 0.000 14.945 18.866) 24.068 14.463 ( 0.000 2.933 -26.479) 26.641 14.463 ( 0.000 2.933 26.479) 26.641 15.082 ( 0.000 0.745 -22.837) 22.849 15.082 ( 0.000 0.745 22.837) 22.849 16.325 ( 0.000 -16.968 -4.195) 17.479 16.325 ( 0.000 -16.968 4.195) 17.479 16.468 ( 0.000 -11.827 -6.909) 13.697 16.468 ( 0.000 -11.827 6.909) 13.697 17.155 ( 0.000 3.473 -0.829) 3.571 17.155 ( 0.000 3.473 0.829) 3.571 18.935 ( 0.000 7.415 -0.403) 7.426 18.935 ( 0.000 7.415 0.403) 7.426 19.462 ( 0.000 0.855 -6.292) 6.350 19.462 ( 0.000 0.855 6.292) 6.350 ======================= Grid point 335 (107/120) ======================= q-point: ( 0.11 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.243 ( -2.724 -6.339 -5.314) 8.709 2.243 ( -2.724 -6.339 5.314) 8.709 2.600 ( 1.786 1.298 -15.232) 15.391 2.600 ( 1.786 1.298 15.232) 15.391 2.885 ( 9.798 8.452 -6.033) 14.277 2.885 ( 9.798 8.452 6.033) 14.277 3.203 ( -2.941 -0.487 -4.815) 5.663 3.203 ( -2.941 -0.487 4.815) 5.663 3.438 ( -3.016 -10.090 -5.329) 11.803 3.438 ( -3.016 -10.090 5.329) 11.803 4.169 ( -3.035 -11.846 -9.486) 15.476 4.169 ( -3.035 -11.846 9.486) 15.476 5.122 ( -1.393 19.885 -4.977) 20.546 5.122 ( -1.393 19.885 4.977) 20.546 6.098 ( -6.758 3.021 -18.113) 19.568 6.098 ( -6.758 3.021 18.113) 19.568 6.303 ( -9.213 2.297 -30.990) 32.412 6.303 ( -9.213 2.297 30.990) 32.412 6.795 ( 0.817 -1.341 -9.014) 9.150 6.795 ( 0.817 -1.341 9.014) 9.150 7.163 ( 4.126 -2.914 -10.742) 11.871 7.163 ( 4.126 -2.914 10.742) 11.871 7.358 ( 8.096 -3.691 -7.759) 11.806 7.358 ( 8.096 -3.691 7.759) 11.806 8.110 ( -2.992 7.219 -4.175) 8.860 8.110 ( -2.992 7.219 4.175) 8.860 8.753 ( -3.558 -8.537 -1.098) 9.313 8.753 ( -3.558 -8.537 1.098) 9.313 9.100 ( 8.043 1.440 -7.495) 11.087 9.100 ( 8.043 1.440 7.495) 11.087 9.250 ( 3.007 -2.516 -3.128) 5.016 9.250 ( 3.007 -2.516 3.128) 5.016 10.483 ( 3.201 3.393 -9.828) 10.879 10.483 ( 3.201 3.393 9.828) 10.879 11.246 ( -7.283 -3.309 -3.126) 8.589 11.246 ( -7.283 -3.309 3.126) 8.589 11.390 ( 6.544 6.952 -3.284) 10.096 11.390 ( 6.544 6.952 3.284) 10.096 11.994 ( -2.487 2.931 -16.342) 16.788 11.994 ( -2.487 2.931 16.342) 16.788 12.378 ( 12.315 0.498 -10.363) 16.102 12.378 ( 12.315 0.498 10.363) 16.102 12.895 ( -1.732 -8.493 -8.371) 12.050 12.895 ( -1.732 -8.493 8.371) 12.050 13.602 ( -7.069 13.769 -19.411) 24.826 13.602 ( -7.069 13.769 19.411) 24.826 14.570 ( 9.661 3.047 -27.944) 29.724 14.570 ( 9.661 3.047 27.944) 29.724 15.145 ( 6.307 0.980 -22.899) 23.772 15.145 ( 6.307 0.980 22.899) 23.772 16.322 ( -0.431 -14.856 -5.366) 15.801 16.322 ( -0.431 -14.856 5.366) 15.801 16.482 ( 1.484 -13.346 -6.994) 15.140 16.482 ( 1.484 -13.346 6.994) 15.140 17.145 ( -1.016 2.631 -1.205) 3.066 17.145 ( -1.016 2.631 1.205) 3.066 18.885 ( -4.760 8.015 -0.942) 9.369 18.885 ( -4.760 8.015 0.942) 9.369 19.429 ( -3.182 0.961 -6.218) 7.051 19.429 ( -3.182 0.961 6.218) 7.051 ======================= Grid point 337 (108/120) ======================= q-point: ( 0.22 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( -2.038 -1.604 -7.238) 7.688 2.191 ( -2.038 -1.604 7.238) 7.688 2.676 ( 4.186 -2.929 -11.181) 12.293 2.676 ( 4.186 -2.929 11.181) 12.293 3.015 ( 0.913 4.387 -0.454) 4.504 3.015 ( 0.913 4.387 0.454) 4.504 3.140 ( -1.733 0.759 -4.165) 4.574 3.140 ( -1.733 0.759 4.164) 4.574 3.397 ( -0.408 -7.713 -1.842) 7.940 3.397 ( -0.408 -7.713 1.842) 7.940 4.120 ( -0.557 -13.849 -4.571) 14.595 4.120 ( -0.557 -13.849 4.571) 14.595 5.079 ( -2.662 19.403 -5.087) 20.234 5.079 ( -2.662 19.403 5.087) 20.234 5.923 ( -10.492 2.524 -16.861) 20.019 5.923 ( -10.492 2.524 16.861) 20.019 6.057 ( -13.930 1.791 -26.443) 29.941 6.057 ( -13.930 1.791 26.443) 29.941 6.855 ( 4.928 -0.355 -9.337) 10.563 6.855 ( 4.928 -0.355 9.337) 10.563 7.273 ( 6.283 -1.510 -5.655) 8.587 7.273 ( 6.283 -1.510 5.655) 8.587 7.524 ( 7.684 -2.048 -6.002) 9.963 7.524 ( 7.684 -2.048 6.002) 9.963 8.042 ( -3.515 6.098 -5.700) 9.057 8.042 ( -3.515 6.098 5.700) 9.057 8.647 ( -6.279 -8.186 -0.808) 10.348 8.647 ( -6.279 -8.186 0.808) 10.348 9.282 ( 8.919 2.688 -5.785) 10.965 9.282 ( 8.919 2.688 5.785) 10.965 9.370 ( 8.916 1.866 -7.388) 11.728 9.370 ( 8.916 1.866 7.388) 11.728 10.477 ( -5.307 1.530 -6.594) 8.601 10.477 ( -5.307 1.530 6.594) 8.601 11.166 ( 1.212 -6.844 -5.634) 8.947 11.166 ( 1.211 -6.844 5.634) 8.947 11.596 ( 12.981 6.069 -5.637) 15.399 11.596 ( 12.981 6.069 5.637) 15.399 11.916 ( -4.448 5.131 -14.183) 15.725 11.916 ( -4.448 5.131 14.183) 15.725 12.619 ( 8.322 -4.376 -14.330) 17.139 12.619 ( 8.322 -4.376 14.330) 17.139 12.871 ( 1.177 -4.199 -3.830) 5.804 12.871 ( 1.177 -4.199 3.830) 5.804 13.426 ( -9.950 12.548 -17.517) 23.734 13.426 ( -9.950 12.548 17.517) 23.734 14.801 ( 12.307 1.650 -25.624) 28.474 14.801 ( 12.307 1.650 25.624) 28.474 15.329 ( 11.768 1.560 -22.487) 25.428 15.329 ( 11.768 1.560 22.487) 25.428 16.303 ( -1.581 -10.457 -7.921) 13.214 16.303 ( -1.581 -10.457 7.921) 13.214 16.528 ( 3.059 -16.067 -5.986) 17.416 16.528 ( 3.059 -16.067 5.986) 17.416 17.117 ( -1.699 0.105 -1.962) 2.598 17.117 ( -1.699 0.105 1.962) 2.598 18.759 ( -7.382 9.820 -1.997) 12.447 18.759 ( -7.382 9.820 1.997) 12.447 19.340 ( -5.436 1.220 -5.821) 8.057 19.340 ( -5.436 1.220 5.821) 8.057 ======================= Grid point 339 (109/120) ======================= q-point: ( 0.33 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( -0.611 1.082 -6.414) 6.533 2.165 ( -0.611 1.082 6.414) 6.533 2.694 ( -3.065 -0.394 -5.953) 6.707 2.694 ( -3.065 -0.394 5.953) 6.707 2.977 ( -1.785 -1.366 -4.404) 4.944 2.977 ( -1.785 -1.366 4.404) 4.944 3.153 ( 1.980 -2.666 -5.102) 6.088 3.153 ( 1.980 -2.666 5.102) 6.088 3.393 ( -0.525 -1.766 -1.977) 2.703 3.393 ( -0.525 -1.766 1.977) 2.703 4.183 ( 6.555 -18.321 -2.877) 19.670 4.183 ( 6.555 -18.321 2.877) 19.670 5.032 ( -1.319 16.953 -4.064) 17.483 5.032 ( -1.319 16.953 4.064) 17.483 5.647 ( -16.882 -2.646 -18.310) 25.045 5.647 ( -16.882 -2.646 18.310) 25.045 5.828 ( -7.992 10.125 -15.087) 19.850 5.828 ( -7.992 10.125 15.087) 19.850 6.974 ( 6.346 0.721 -7.248) 9.660 6.974 ( 6.346 0.721 7.248) 9.660 7.389 ( 4.615 -2.711 -2.314) 5.831 7.389 ( 4.615 -2.711 2.314) 5.831 7.655 ( 5.580 1.106 -3.025) 6.443 7.655 ( 5.580 1.106 3.025) 6.443 7.972 ( -3.576 7.880 -5.124) 10.056 7.972 ( -3.576 7.880 5.124) 10.056 8.529 ( -5.074 -8.577 -0.563) 9.982 8.529 ( -5.074 -8.577 0.563) 9.982 9.449 ( 7.692 2.414 -3.180) 8.667 9.449 ( 7.692 2.414 3.180) 8.667 9.562 ( 9.167 4.949 -5.504) 11.782 9.562 ( 9.167 4.949 5.504) 11.782 10.302 ( -10.458 -1.290 -1.901) 10.708 10.302 ( -10.458 -1.290 1.901) 10.708 11.256 ( 5.695 -8.666 -7.254) 12.655 11.256 ( 5.695 -8.666 7.254) 12.655 11.790 ( -0.230 5.381 -1.290) 5.538 11.790 ( -0.230 5.381 1.290) 5.538 11.933 ( 12.432 5.560 -7.929) 15.759 11.933 ( 12.432 5.560 7.929) 15.759 12.643 ( -3.286 -9.064 -16.017) 18.695 12.643 ( -3.286 -9.064 16.017) 18.695 12.960 ( 3.274 0.590 -5.009) 6.013 12.960 ( 3.274 0.590 5.009) 6.013 13.236 ( -7.109 13.412 -10.263) 18.324 13.236 ( -7.109 13.412 10.263) 18.324 15.027 ( 9.657 -1.170 -17.729) 20.223 15.027 ( 9.657 -1.170 17.729) 20.223 15.596 ( 14.211 1.901 -20.773) 25.240 15.596 ( 14.211 1.901 20.773) 25.240 16.250 ( -3.962 -6.169 -11.534) 13.667 16.250 ( -3.962 -6.169 11.534) 13.667 16.597 ( 3.475 -17.973 -3.411) 18.621 16.597 ( 3.475 -17.973 3.411) 18.621 17.083 ( -1.479 -3.760 -2.199) 4.600 17.083 ( -1.479 -3.760 2.199) 4.600 18.612 ( -6.690 12.644 -2.429) 14.510 18.612 ( -6.690 12.644 2.429) 14.510 19.226 ( -5.538 1.475 -4.549) 7.317 19.226 ( -5.538 1.475 4.549) 7.317 ======================= Grid point 341 (110/120) ======================= q-point: ( 0.44 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( -0.035 3.129 -2.647) 4.099 2.160 ( -0.035 3.129 2.647) 4.099 2.615 ( -2.914 1.383 -1.903) 3.745 2.615 ( -2.914 1.383 1.903) 3.745 2.957 ( -0.435 -2.227 -2.314) 3.240 2.957 ( -0.435 -2.227 2.314) 3.240 3.178 ( 0.175 -7.323 -2.019) 7.598 3.178 ( 0.175 -7.323 2.019) 7.598 3.396 ( 0.821 2.402 -0.955) 2.712 3.396 ( 0.821 2.402 0.955) 2.712 4.317 ( 4.694 -22.700 -2.704) 23.337 4.317 ( 4.694 -22.700 2.704) 23.337 5.068 ( 5.759 11.820 -2.813) 13.447 5.068 ( 5.759 11.820 2.813) 13.447 5.312 ( -14.839 -0.232 -12.925) 19.680 5.312 ( -14.839 -0.232 12.925) 19.680 5.722 ( -2.721 14.411 -5.032) 15.505 5.722 ( -2.721 14.411 5.032) 15.505 7.078 ( 3.201 1.135 -2.914) 4.475 7.078 ( 3.201 1.135 2.914) 4.475 7.446 ( 1.189 -4.426 -0.583) 4.620 7.446 ( 1.189 -4.426 0.583) 4.620 7.760 ( 4.824 3.809 -3.945) 7.304 7.760 ( 4.824 3.809 3.945) 7.304 7.891 ( -4.283 10.299 -4.583) 12.058 7.891 ( -4.283 10.299 4.583) 12.058 8.458 ( -1.792 -9.674 -0.374) 9.846 8.458 ( -1.792 -9.674 0.374) 9.846 9.568 ( 3.428 4.903 -1.100) 6.083 9.568 ( 3.428 4.903 1.100) 6.083 9.715 ( 5.372 4.385 -2.779) 7.470 9.715 ( 5.372 4.385 2.779) 7.470 10.115 ( -6.648 -3.891 -1.152) 7.788 10.115 ( -6.648 -3.891 1.152) 7.788 11.340 ( 2.206 -10.064 -3.349) 10.833 11.340 ( 2.206 -10.064 3.349) 10.833 11.765 ( -0.634 6.854 -1.559) 7.058 11.765 ( -0.634 6.854 1.559) 7.058 12.196 ( 9.830 4.426 -5.275) 12.002 12.196 ( 9.830 4.426 5.275) 12.002 12.570 ( -2.920 -9.500 -7.073) 12.198 12.570 ( -2.920 -9.500 7.073) 12.198 12.896 ( -5.690 3.299 -7.103) 9.680 12.896 ( -5.690 3.299 7.103) 9.680 13.205 ( 1.307 12.393 -0.697) 12.481 13.205 ( 1.307 12.393 0.697) 12.481 15.165 ( 3.660 -3.228 -6.354) 8.011 15.165 ( 3.660 -3.228 6.354) 8.011 15.860 ( 10.635 1.456 -15.411) 18.781 15.860 ( 10.635 1.456 15.411) 18.781 16.141 ( -6.326 -2.963 -12.456) 14.281 16.141 ( -6.326 -2.963 12.456) 14.281 16.652 ( 1.659 -19.165 -1.004) 19.263 16.652 ( 1.659 -19.165 1.004) 19.263 17.062 ( -0.542 -7.036 -1.121) 7.146 17.062 ( -0.542 -7.036 1.121) 7.146 18.513 ( -2.711 15.225 -1.177) 15.509 18.513 ( -2.711 15.225 1.177) 15.509 19.140 ( -2.455 1.583 -1.811) 3.437 19.140 ( -2.455 1.583 1.811) 3.437 ======================= Grid point 351 (111/120) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( 0.000 -2.973 -2.985) 4.213 2.130 ( 0.000 -2.973 2.985) 4.213 2.790 ( 0.000 1.614 -7.968) 8.130 2.790 ( 0.000 1.614 7.968) 8.130 2.821 ( 0.000 5.517 -13.589) 14.666 2.821 ( 0.000 5.517 13.589) 14.666 3.125 ( 0.000 -4.711 -8.748) 9.936 3.125 ( 0.000 -4.711 8.748) 9.936 3.362 ( 0.000 -2.271 -10.525) 10.767 3.362 ( 0.000 -2.271 10.525) 10.767 3.960 ( 0.000 -13.820 -10.347) 17.264 3.960 ( 0.000 -13.820 10.347) 17.264 5.558 ( 0.000 23.207 -4.882) 23.715 5.558 ( 0.000 23.207 4.882) 23.715 6.259 ( 0.000 5.824 -14.869) 15.969 6.259 ( 0.000 5.824 14.869) 15.969 6.477 ( 0.000 4.307 -22.079) 22.495 6.477 ( 0.000 4.307 22.079) 22.495 6.770 ( 0.000 -1.035 -1.627) 1.929 6.770 ( 0.000 -1.035 1.627) 1.929 7.000 ( 0.000 -8.325 -9.369) 12.533 7.000 ( 0.000 -8.325 9.369) 12.533 7.136 ( 0.000 -8.453 -14.205) 16.530 7.136 ( 0.000 -8.453 14.205) 16.530 8.352 ( 0.000 11.772 -1.659) 11.888 8.352 ( 0.000 11.772 1.659) 11.888 8.625 ( 0.000 -7.374 -1.450) 7.516 8.625 ( 0.000 -7.374 1.450) 7.516 8.939 ( 0.000 -6.772 -4.360) 8.054 8.939 ( 0.000 -6.772 4.360) 8.054 9.139 ( 0.000 -3.685 -1.155) 3.862 9.139 ( 0.000 -3.685 1.155) 3.862 10.540 ( 0.000 5.672 -6.877) 8.915 10.540 ( 0.000 5.672 6.877) 8.915 11.337 ( 0.000 -2.625 -0.948) 2.791 11.337 ( 0.000 -2.625 0.948) 2.791 11.457 ( 0.000 8.822 -0.355) 8.829 11.457 ( 0.000 8.822 0.355) 8.829 12.061 ( 0.000 5.294 -8.326) 9.867 12.061 ( 0.000 5.294 8.326) 9.867 12.274 ( 0.000 -0.543 -3.929) 3.966 12.274 ( 0.000 -0.543 3.929) 3.966 12.747 ( 0.000 -7.184 -1.616) 7.364 12.747 ( 0.000 -7.184 1.616) 7.364 14.000 ( 0.000 17.111 -23.813) 29.323 14.000 ( 0.000 17.111 23.813) 29.323 14.529 ( 0.000 4.328 -24.418) 24.798 14.529 ( 0.000 4.328 24.418) 24.798 15.119 ( 0.000 3.327 -19.449) 19.732 15.119 ( 0.000 3.327 19.449) 19.732 15.857 ( 0.000 -27.887 -3.400) 28.093 15.857 ( 0.000 -27.887 3.400) 28.093 16.289 ( 0.000 -8.940 -2.617) 9.316 16.289 ( 0.000 -8.940 2.617) 9.316 17.192 ( 0.000 0.736 -0.655) 0.986 17.192 ( 0.000 0.736 0.655) 0.986 19.086 ( 0.000 7.306 -1.472) 7.453 19.086 ( 0.000 7.306 1.472) 7.453 19.483 ( 0.000 1.323 -5.197) 5.362 19.483 ( 0.000 1.323 5.197) 5.362 ======================= Grid point 353 (112/120) ======================= q-point: ( 0.11 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( 1.796 -1.582 -3.083) 3.903 2.151 ( 1.796 -1.582 3.083) 3.903 2.673 ( -4.146 3.670 -7.035) 8.953 2.673 ( -4.146 3.670 7.035) 8.953 2.959 ( 5.578 -4.373 -2.960) 7.681 2.959 ( 5.578 -4.373 2.960) 7.681 3.137 ( 0.816 -1.403 -9.426) 9.564 3.137 ( 0.816 -1.403 9.426) 9.564 3.323 ( -2.736 -0.866 -7.981) 8.482 3.323 ( -2.736 -0.866 7.981) 8.482 3.929 ( -2.758 -12.759 -9.080) 15.901 3.929 ( -2.758 -12.759 9.080) 15.901 5.541 ( -2.166 22.544 -5.206) 23.239 5.541 ( -2.166 22.544 5.206) 23.239 6.178 ( -7.158 5.210 -16.773) 18.966 6.178 ( -7.158 5.210 16.773) 18.966 6.350 ( -11.352 2.306 -25.486) 27.994 6.350 ( -11.352 2.306 25.486) 27.994 6.769 ( 1.722 -1.353 -7.593) 7.902 6.769 ( 1.722 -1.353 7.593) 7.902 7.084 ( 6.943 -4.933 -8.438) 11.989 7.084 ( 6.943 -4.933 8.438) 11.989 7.255 ( 9.730 -7.050 -13.105) 17.780 7.255 ( 9.730 -7.050 13.105) 17.780 8.243 ( -7.476 4.440 -0.748) 8.727 8.243 ( -7.476 4.440 0.748) 8.727 8.608 ( -3.199 -4.443 -2.310) 5.942 8.608 ( -3.199 -4.443 2.310) 5.942 9.100 ( 13.219 -1.171 -3.358) 13.689 9.100 ( 13.219 -1.171 3.358) 13.689 9.197 ( 6.237 -2.792 -2.433) 7.253 9.197 ( 6.237 -2.792 2.433) 7.253 10.569 ( 1.918 5.148 -7.492) 9.291 10.569 ( 1.918 5.148 7.492) 9.291 11.173 ( -11.788 -4.132 -1.991) 12.649 11.173 ( -11.788 -4.132 1.991) 12.649 11.540 ( 6.650 8.203 -1.124) 10.619 11.540 ( 6.650 8.203 1.124) 10.619 12.093 ( 0.407 7.104 -13.122) 14.927 12.093 ( 0.407 7.104 13.122) 14.927 12.352 ( 7.648 -3.952 -10.797) 13.809 12.352 ( 7.648 -3.952 10.797) 13.809 12.754 ( 1.243 -5.320 -4.453) 7.048 12.754 ( 1.243 -5.320 4.453) 7.048 13.893 ( -8.985 15.536 -21.973) 28.370 13.893 ( -8.985 15.536 21.973) 28.370 14.635 ( 8.668 3.684 -24.748) 26.479 14.635 ( 8.668 3.684 24.748) 26.479 15.188 ( 6.794 3.665 -19.391) 20.871 15.188 ( 6.794 3.665 19.391) 20.871 15.884 ( 2.623 -26.389 -2.905) 26.678 15.884 ( 2.623 -26.389 2.905) 26.678 16.293 ( 0.408 -8.812 -4.039) 9.701 16.293 ( 0.408 -8.812 4.039) 9.701 17.165 ( -2.724 -0.112 -0.935) 2.882 17.165 ( -2.724 -0.112 0.935) 2.882 19.048 ( -3.541 7.935 -1.840) 8.882 19.048 ( -3.541 7.935 1.840) 8.882 19.452 ( -3.029 1.362 -5.155) 6.132 19.452 ( -3.029 1.362 5.155) 6.132 ======================= Grid point 355 (113/120) ======================= q-point: ( 0.22 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( 1.587 2.017 -4.465) 5.150 2.187 ( 1.587 2.017 4.465) 5.150 2.648 ( 1.213 -0.564 -6.092) 6.237 2.648 ( 1.213 -0.564 6.092) 6.237 3.018 ( 1.143 -7.040 -4.968) 8.692 3.018 ( 1.143 -7.040 4.968) 8.692 3.078 ( -6.725 -4.819 -7.611) 11.242 3.078 ( -6.725 -4.819 7.611) 11.242 3.336 ( 3.320 2.726 -2.814) 5.135 3.336 ( 3.320 2.726 2.814) 5.135 3.873 ( -1.949 -11.153 -5.195) 12.457 3.873 ( -1.949 -11.153 5.195) 12.457 5.450 ( -6.959 17.534 -7.341) 20.242 5.450 ( -6.959 17.534 7.341) 20.242 5.955 ( -16.423 -0.145 -15.086) 22.300 5.955 ( -16.423 -0.145 15.086) 22.300 6.155 ( -4.755 9.920 -15.952) 19.377 6.155 ( -4.755 9.920 15.952) 19.377 6.855 ( 6.315 0.090 -6.805) 9.284 6.855 ( 6.315 0.090 6.805) 9.284 7.226 ( 6.548 -2.897 -5.865) 9.256 7.226 ( 6.548 -2.897 5.865) 9.256 7.465 ( 10.474 -4.695 -8.920) 14.536 7.465 ( 10.474 -4.695 8.920) 14.536 8.121 ( -4.296 -0.109 -0.891) 4.389 8.121 ( -4.296 -0.109 0.891) 4.389 8.507 ( -6.279 -3.862 -2.048) 7.651 8.507 ( -6.279 -3.862 2.048) 7.651 9.297 ( 7.976 -0.373 -2.712) 8.432 9.297 ( 7.976 -0.373 2.712) 8.432 9.451 ( 15.785 5.350 -6.299) 17.818 9.451 ( 15.785 5.350 6.299) 17.818 10.530 ( -7.956 4.364 -6.017) 10.888 10.530 ( -7.956 4.364 6.017) 10.888 11.008 ( -2.146 -9.432 -3.463) 10.274 11.008 ( -2.146 -9.432 3.463) 10.274 11.713 ( 10.036 6.101 -1.890) 11.896 11.713 ( 10.036 6.101 1.890) 11.896 12.064 ( -1.982 9.274 -11.673) 15.040 12.064 ( -1.982 9.274 11.673) 15.040 12.477 ( 2.428 -9.259 -13.843) 16.831 12.477 ( 2.428 -9.259 13.843) 16.831 12.842 ( 8.076 0.438 -3.014) 8.631 12.842 ( 8.076 0.438 3.014) 8.631 13.692 ( -10.243 14.653 -18.096) 25.439 13.692 ( -10.243 14.653 18.096) 25.439 14.812 ( 8.090 -1.345 -20.814) 22.372 14.812 ( 8.090 -1.345 20.814) 22.372 15.383 ( 12.252 4.239 -18.573) 22.650 15.383 ( 12.252 4.239 18.573) 22.650 15.954 ( 4.096 -21.876 -2.748) 22.426 15.954 ( 4.096 -21.876 2.748) 22.426 16.309 ( 1.205 -8.447 -6.848) 10.941 16.309 ( 1.205 -8.447 6.848) 10.941 17.086 ( -5.065 -2.654 -1.482) 5.908 17.086 ( -5.065 -2.654 1.482) 5.908 18.957 ( -5.101 9.688 -2.540) 11.240 18.957 ( -5.101 9.688 2.540) 11.240 19.367 ( -5.249 1.426 -4.905) 7.324 19.367 ( -5.249 1.426 4.905) 7.324 ======================= Grid point 357 (114/120) ======================= q-point: ( 0.33 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( 1.787 4.932 -4.396) 6.844 2.219 ( 1.787 4.932 4.396) 6.844 2.674 ( 0.095 -1.682 -3.162) 3.583 2.674 ( 0.095 -1.682 3.162) 3.583 2.931 ( -5.453 -4.288 -6.140) 9.264 2.931 ( -5.453 -4.288 6.140) 9.264 3.047 ( 0.549 -7.333 -6.529) 9.834 3.047 ( 0.549 -7.333 6.529) 9.834 3.385 ( 1.894 0.926 -2.420) 3.210 3.385 ( 1.894 0.926 2.420) 3.210 3.877 ( 2.194 -12.745 -2.265) 13.129 3.877 ( 2.194 -12.745 2.265) 13.129 5.293 ( -7.491 9.943 -8.258) 14.939 5.293 ( -7.491 9.943 8.258) 14.939 5.595 ( -17.705 -2.911 -16.888) 24.640 5.595 ( -17.705 -2.911 16.888) 24.640 6.121 ( -0.056 20.561 -10.545) 23.107 6.121 ( -0.056 20.561 10.545) 23.107 6.995 ( 6.832 0.914 -4.504) 8.234 6.995 ( 6.832 0.914 4.504) 8.234 7.334 ( 4.221 -2.496 -3.261) 5.889 7.334 ( 4.221 -2.496 3.261) 5.889 7.657 ( 8.374 -2.410 -5.238) 10.168 7.657 ( 8.374 -2.410 5.238) 10.168 8.067 ( -1.368 -0.802 -2.000) 2.552 8.067 ( -1.368 -0.802 2.000) 2.552 8.371 ( -7.005 -4.370 -1.567) 8.404 8.371 ( -7.005 -4.370 1.567) 8.404 9.469 ( 9.096 0.153 -1.990) 9.312 9.469 ( 9.096 0.153 1.990) 9.312 9.732 ( 11.494 11.475 -2.908) 16.500 9.732 ( 11.494 11.475 2.908) 16.500 10.290 ( -13.758 0.877 -2.450) 14.002 10.290 ( -13.758 0.877 2.450) 14.002 11.046 ( 3.497 -13.092 -5.736) 14.715 11.046 ( 3.497 -13.092 5.736) 14.715 11.862 ( 2.447 3.718 -2.524) 5.117 11.862 ( 2.447 3.718 2.524) 5.117 12.108 ( 8.798 9.551 -11.291) 17.208 12.108 ( 8.798 9.551 11.291) 17.208 12.461 ( -2.681 -8.545 -13.899) 16.535 12.461 ( -2.681 -8.545 13.899) 16.535 12.991 ( 3.293 1.999 -4.710) 6.084 12.991 ( 3.293 1.999 4.710) 6.084 13.526 ( -4.636 16.928 -11.060) 20.746 13.526 ( -4.636 16.928 11.060) 20.746 14.942 ( 4.839 -9.230 -13.331) 16.921 14.942 ( 4.839 -9.230 13.331) 16.921 15.649 ( 13.425 3.532 -16.193) 21.329 15.649 ( 13.425 3.532 16.193) 21.329 16.029 ( 2.763 -15.014 -5.366) 16.182 16.029 ( 2.763 -15.014 5.366) 16.182 16.340 ( 1.731 -7.686 -8.092) 11.294 16.340 ( 1.731 -7.686 8.092) 11.294 16.973 ( -5.724 -6.827 -1.582) 9.048 16.973 ( -5.724 -6.827 1.582) 9.048 18.862 ( -3.974 12.160 -2.649) 13.064 18.862 ( -3.974 12.160 2.649) 13.064 19.255 ( -5.532 1.296 -3.993) 6.945 19.255 ( -5.532 1.296 3.993) 6.945 ======================= Grid point 359 (115/120) ======================= q-point: ( 0.44 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.253 ( 1.223 6.763 -1.896) 7.129 2.253 ( 1.223 6.763 1.896) 7.129 2.645 ( -1.820 1.434 -1.622) 2.828 2.645 ( -1.820 1.434 1.622) 2.828 2.881 ( -0.213 -5.987 -3.425) 6.901 2.881 ( -0.213 -5.987 3.425) 6.901 3.029 ( -1.700 -7.885 -2.931) 8.582 3.029 ( -1.700 -7.885 2.931) 8.582 3.437 ( 2.478 2.158 -0.852) 3.395 3.437 ( 2.478 2.158 0.852) 3.395 3.925 ( 1.631 -17.582 -2.054) 17.776 3.925 ( 1.631 -17.582 2.054) 17.776 5.200 ( -0.606 3.641 -2.345) 4.373 5.200 ( -0.606 3.641 2.345) 4.373 5.301 ( -10.505 -0.955 -9.266) 14.040 5.301 ( -10.505 -0.955 9.266) 14.040 6.125 ( 0.175 26.362 -3.592) 26.607 6.125 ( 0.175 26.362 3.592) 26.607 7.098 ( 2.882 0.266 -1.653) 3.333 7.098 ( 2.882 0.266 1.653) 3.333 7.396 ( 1.818 -0.871 -0.769) 2.158 7.396 ( 1.818 -0.871 0.769) 2.158 7.783 ( 3.662 -3.497 -4.417) 6.719 7.783 ( 3.662 -3.497 4.417) 6.719 8.057 ( 0.099 4.773 -3.948) 6.195 8.057 ( 0.099 4.773 3.948) 6.195 8.250 ( -4.135 -8.519 -0.154) 9.471 8.250 ( -4.135 -8.519 0.154) 9.471 9.644 ( 7.103 2.666 -0.941) 7.645 9.644 ( 7.103 2.666 0.941) 7.645 9.898 ( 5.208 13.412 -2.283) 14.567 9.898 ( 5.208 13.412 2.283) 14.567 10.038 ( -10.100 -2.009 -2.900) 10.698 10.038 ( -10.100 -2.009 2.900) 10.698 11.098 ( 1.332 -15.657 -2.932) 15.985 11.098 ( 1.332 -15.657 2.932) 15.985 11.868 ( -0.212 4.642 -1.101) 4.775 11.868 ( -0.212 4.642 1.101) 4.775 12.317 ( 7.442 -1.303 -6.220) 9.787 12.317 ( 7.442 -1.303 6.220) 9.787 12.418 ( -0.231 2.420 -9.381) 9.691 12.418 ( -0.231 2.420 9.381) 9.691 12.935 ( -5.554 0.553 -5.919) 8.135 12.935 ( -5.554 0.553 5.919) 8.135 13.520 ( 1.670 20.486 -2.543) 20.711 13.520 ( 1.670 20.486 2.543) 20.711 15.006 ( 1.571 -15.416 -4.619) 16.170 15.006 ( 1.571 -15.416 4.619) 16.170 15.880 ( 8.334 0.063 -10.887) 13.711 15.880 ( 8.334 0.063 10.887) 13.711 16.044 ( -1.315 -6.907 -6.806) 9.786 16.044 ( -1.315 -6.907 6.806) 9.786 16.367 ( 0.732 -6.696 -3.737) 7.703 16.367 ( 0.732 -6.696 3.737) 7.703 16.882 ( -2.715 -11.268 -0.765) 11.616 16.882 ( -2.715 -11.268 0.765) 11.616 18.809 ( -1.319 14.336 -1.246) 14.450 18.809 ( -1.319 14.336 1.246) 14.450 19.168 ( -2.569 0.853 -1.683) 3.188 19.168 ( -2.569 0.853 1.683) 3.188 ======================= Grid point 369 (116/120) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( 0.000 5.407 -3.254) 6.311 2.168 ( 0.000 5.407 3.254) 6.311 2.575 ( 0.000 -12.394 -5.602) 13.601 2.575 ( 0.000 -12.394 5.602) 13.601 3.029 ( 0.000 8.818 -7.066) 11.300 3.029 ( 0.000 8.818 7.066) 11.300 3.141 ( 0.000 2.042 -6.422) 6.739 3.141 ( 0.000 2.042 6.422) 6.739 3.333 ( 0.000 -0.575 -7.081) 7.104 3.333 ( 0.000 -0.575 7.081) 7.104 3.718 ( 0.000 -9.547 -6.677) 11.650 3.718 ( 0.000 -9.547 6.677) 11.650 5.937 ( 0.000 13.649 -2.459) 13.868 5.937 ( 0.000 13.649 2.459) 13.868 6.370 ( 0.000 4.750 -9.388) 10.522 6.370 ( 0.000 4.750 9.388) 10.522 6.518 ( 0.000 -0.290 -2.436) 2.454 6.518 ( 0.000 -0.290 2.436) 2.454 6.781 ( 0.000 -0.390 -6.470) 6.482 6.781 ( 0.000 -0.390 6.470) 6.482 6.847 ( 0.000 -2.711 -6.265) 6.826 6.847 ( 0.000 -2.711 6.265) 6.826 6.963 ( 0.000 -8.806 -21.013) 22.784 6.963 ( 0.000 -8.806 21.013) 22.784 8.491 ( 0.000 -0.800 -2.511) 2.636 8.491 ( 0.000 -0.800 2.511) 2.636 8.602 ( 0.000 8.580 -1.978) 8.805 8.602 ( 0.000 8.580 1.978) 8.805 8.784 ( 0.000 -9.099 -2.074) 9.333 8.784 ( 0.000 -9.099 2.074) 9.333 9.092 ( 0.000 -1.302 -0.436) 1.373 9.092 ( 0.000 -1.302 0.436) 1.373 10.624 ( 0.000 2.566 -2.525) 3.600 10.624 ( 0.000 2.566 2.525) 3.600 11.295 ( 0.000 -1.361 -0.198) 1.376 11.295 ( 0.000 -1.361 0.198) 1.376 11.595 ( 0.000 4.646 -1.234) 4.807 11.595 ( 0.000 4.646 1.234) 4.807 12.165 ( 0.000 4.344 -2.208) 4.873 12.165 ( 0.000 4.344 2.208) 4.873 12.226 ( 0.000 -3.247 -2.513) 4.106 12.226 ( 0.000 -3.247 2.513) 4.106 12.662 ( 0.000 -1.984 -1.050) 2.245 12.662 ( 0.000 -1.984 1.050) 2.245 14.233 ( 0.000 5.582 -13.140) 14.276 14.233 ( 0.000 5.582 13.140) 14.276 14.679 ( 0.000 11.312 -13.822) 17.861 14.679 ( 0.000 11.312 13.822) 17.861 15.170 ( 0.000 -0.761 -18.983) 18.999 15.170 ( 0.000 -0.761 18.983) 18.999 15.385 ( 0.000 -16.884 -11.740) 20.565 15.385 ( 0.000 -16.884 11.740) 20.565 16.147 ( 0.000 -4.824 -0.752) 4.882 16.147 ( 0.000 -4.824 0.752) 4.882 17.197 ( 0.000 -0.021 -0.247) 0.247 17.197 ( 0.000 -0.021 0.247) 0.247 19.183 ( 0.000 2.683 -0.882) 2.824 19.183 ( 0.000 2.683 0.882) 2.824 19.505 ( 0.000 0.738 -2.141) 2.265 19.505 ( 0.000 0.738 2.141) 2.265 ======================= Grid point 371 (117/120) ======================= q-point: ( 0.11 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( 2.962 5.353 -2.925) 6.781 2.200 ( 2.962 5.353 2.925) 6.781 2.578 ( 0.340 -10.232 -4.895) 11.348 2.578 ( 0.340 -10.232 4.895) 11.348 2.961 ( -4.236 6.234 -9.662) 12.254 2.961 ( -4.236 6.234 9.662) 12.254 3.116 ( -4.332 -3.897 -3.277) 6.685 3.116 ( -4.332 -3.897 3.277) 6.685 3.365 ( 2.905 3.876 -3.359) 5.894 3.365 ( 2.905 3.876 3.359) 5.894 3.719 ( -0.001 -7.883 -6.069) 9.948 3.719 ( -0.001 -7.883 6.069) 9.948 5.893 ( -5.741 11.834 -3.453) 13.598 5.893 ( -5.741 11.834 3.453) 13.598 6.263 ( -11.379 2.223 -6.639) 13.360 6.263 ( -11.379 2.223 6.639) 13.360 6.396 ( -6.593 3.172 -10.271) 12.611 6.396 ( -6.593 3.172 10.271) 12.611 6.723 ( 1.670 -3.655 -3.860) 5.572 6.723 ( 1.670 -3.655 3.860) 5.572 7.021 ( 9.825 -0.332 -11.354) 15.018 7.021 ( 9.825 -0.332 11.354) 15.018 7.115 ( 11.729 -6.422 -15.216) 20.257 7.115 ( 11.729 -6.422 15.216) 20.257 8.246 ( -12.491 -1.801 -0.769) 12.643 8.246 ( -12.491 -1.801 0.769) 12.643 8.614 ( -3.909 2.410 -2.469) 5.214 8.614 ( -3.909 2.410 2.469) 5.214 9.072 ( 21.660 -1.313 -2.492) 21.843 9.072 ( 21.660 -1.313 2.492) 21.843 9.155 ( 5.976 -1.313 -1.247) 6.245 9.155 ( 5.976 -1.313 1.247) 6.245 10.652 ( 2.382 2.813 -3.055) 4.788 10.652 ( 2.382 2.813 3.055) 4.788 11.107 ( -15.252 -2.243 -0.677) 15.431 11.107 ( -15.252 -2.243 0.677) 15.431 11.673 ( 6.170 4.789 -0.931) 7.866 11.673 ( 6.170 4.789 0.931) 7.866 12.209 ( 0.463 2.314 -7.049) 7.433 12.209 ( 0.463 2.314 7.049) 7.433 12.261 ( 5.003 -2.335 -7.910) 9.646 12.261 ( 5.003 -2.335 7.910) 9.646 12.697 ( 4.335 -1.218 -2.550) 5.175 12.697 ( 4.335 -1.218 2.550) 5.175 14.124 ( -9.031 7.041 -12.525) 16.971 14.124 ( -9.031 7.041 12.525) 16.971 14.721 ( 2.663 5.001 -13.851) 14.965 14.721 ( 2.663 5.001 13.851) 14.965 15.264 ( 8.604 3.186 -19.973) 21.979 15.264 ( 8.604 3.186 19.973) 21.979 15.447 ( 6.161 -16.225 -13.538) 22.011 15.447 ( 6.161 -16.225 13.538) 22.011 16.154 ( 0.752 -4.697 -1.507) 4.990 16.154 ( 0.752 -4.697 1.507) 4.990 17.157 ( -3.899 -0.360 -0.355) 3.932 17.157 ( -3.899 -0.360 0.355) 3.932 19.155 ( -2.645 2.964 -1.045) 4.107 19.155 ( -2.645 2.964 1.045) 4.107 19.474 ( -3.047 0.712 -2.156) 3.799 19.474 ( -3.047 0.712 2.156) 3.799 ======================= Grid point 373 (118/120) ======================= q-point: ( 0.22 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( 3.712 5.632 -2.587) 7.225 2.271 ( 3.712 5.632 2.587) 7.225 2.591 ( 1.089 -5.916 -3.139) 6.785 2.591 ( 1.089 -5.916 3.139) 6.785 2.908 ( -1.308 0.323 -12.410) 12.482 2.908 ( -1.308 0.323 12.410) 12.482 2.987 ( -6.853 -5.691 -9.761) 13.215 2.987 ( -6.853 -5.691 9.761) 13.215 3.408 ( 0.716 3.127 -3.458) 4.716 3.408 ( 0.716 3.127 3.458) 4.716 3.719 ( 0.075 -4.716 -3.378) 5.802 3.719 ( 0.075 -4.716 3.378) 5.802 5.688 ( -13.298 7.018 -7.257) 16.696 5.688 ( -13.298 7.018 7.257) 16.696 5.926 ( -19.814 -1.971 -10.581) 22.548 5.926 ( -19.814 -1.971 10.581) 22.548 6.397 ( 5.112 11.921 -6.389) 14.459 6.397 ( 5.112 11.921 6.389) 14.459 6.828 ( 7.238 -3.186 -2.331) 8.245 6.828 ( 7.238 -3.186 2.331) 8.245 7.185 ( 6.667 -1.062 -5.449) 8.676 7.185 ( 6.667 -1.062 5.449) 8.676 7.362 ( 11.910 -4.471 -7.208) 14.622 7.362 ( 11.910 -4.471 7.208) 14.622 8.055 ( -6.519 -3.625 -0.808) 7.503 8.055 ( -6.519 -3.625 0.808) 7.503 8.509 ( -6.095 1.493 -1.516) 6.456 8.509 ( -6.095 1.493 1.516) 6.456 9.289 ( 8.047 -0.276 -1.031) 8.117 9.289 ( 8.047 -0.276 1.031) 8.117 9.530 ( 21.991 2.344 -2.141) 22.219 9.530 ( 21.991 2.344 2.141) 22.219 10.647 ( -8.191 7.938 -4.299) 12.190 10.647 ( -8.191 7.938 4.299) 12.190 10.822 ( -7.286 -9.891 -1.234) 12.347 10.822 ( -7.286 -9.891 1.234) 12.347 11.822 ( 8.370 4.547 -1.189) 9.599 11.822 ( 8.370 4.547 1.189) 9.599 12.174 ( -3.095 0.182 -5.046) 5.923 12.174 ( -3.095 0.182 5.046) 5.923 12.354 ( 3.187 -1.558 -6.950) 7.803 12.354 ( 3.187 -1.558 6.950) 7.803 12.856 ( 10.638 0.558 -1.538) 10.763 12.856 ( 10.638 0.558 1.538) 10.763 13.934 ( -8.732 8.756 -10.560) 16.262 13.934 ( -8.732 8.756 10.560) 16.262 14.745 ( -0.604 -4.158 -10.286) 11.111 14.745 ( -0.604 -4.158 10.286) 11.111 15.478 ( 11.973 5.257 -17.365) 21.738 15.478 ( 11.973 5.257 17.365) 21.738 15.622 ( 10.540 -11.538 -11.836) 19.604 15.622 ( 10.540 -11.538 11.836) 19.604 16.181 ( 2.196 -4.210 -2.947) 5.588 16.181 ( 2.196 -4.210 2.947) 5.588 17.043 ( -7.475 -1.397 -0.579) 7.626 17.043 ( -7.475 -1.397 0.579) 7.626 19.090 ( -3.486 3.753 -1.380) 5.305 19.090 ( -3.486 3.753 1.380) 5.305 19.388 ( -5.406 0.590 -2.164) 5.853 19.388 ( -5.406 0.590 2.164) 5.853 ======================= Grid point 375 (119/120) ======================= q-point: ( 0.33 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.342 ( 3.513 6.635 -2.455) 7.899 2.342 ( 3.513 6.635 2.455) 7.899 2.624 ( 1.928 -3.750 -1.941) 4.642 2.624 ( 1.928 -3.750 1.941) 4.642 2.815 ( -5.966 -5.180 -3.923) 8.821 2.815 ( -5.966 -5.180 3.923) 8.821 2.949 ( 0.365 -2.533 -0.860) 2.700 2.949 ( 0.365 -2.533 0.860) 2.700 3.409 ( 0.851 1.008 -1.643) 2.107 3.409 ( 0.851 1.008 1.643) 2.107 3.719 ( -0.427 -4.044 -0.570) 4.106 3.719 ( -0.427 -4.044 0.570) 4.106 5.423 ( -12.040 4.237 -9.223) 15.748 5.423 ( -12.040 4.237 9.223) 15.748 5.539 ( -17.503 -2.695 -11.849) 21.308 5.539 ( -17.503 -2.695 11.849) 21.308 6.531 ( 7.048 18.747 -5.174) 20.686 6.531 ( 7.048 18.747 5.174) 20.686 6.965 ( 5.457 -4.958 -1.412) 7.507 6.965 ( 5.457 -4.958 1.412) 7.507 7.303 ( 5.541 -0.757 -2.534) 6.140 7.303 ( 5.541 -0.757 2.534) 6.140 7.554 ( 6.267 -5.961 -4.025) 9.540 7.554 ( 6.267 -5.961 4.025) 9.540 7.988 ( 0.186 -3.427 -1.642) 3.805 7.988 ( 0.186 -3.427 1.642) 3.805 8.375 ( -7.247 1.553 -1.308) 7.526 8.375 ( -7.247 1.553 1.308) 7.526 9.468 ( 9.805 -0.073 -0.836) 9.841 9.468 ( 9.805 -0.073 0.836) 9.841 9.911 ( 14.251 5.325 -1.502) 15.288 9.911 ( 14.251 5.325 1.502) 15.288 10.367 ( -13.642 6.656 -2.453) 15.376 10.367 ( -13.642 6.656 2.453) 15.376 10.791 ( -0.681 -11.640 -2.313) 11.887 10.791 ( -0.681 -11.640 2.313) 11.887 11.961 ( 3.498 6.393 -3.707) 8.176 11.961 ( 3.498 6.393 3.707) 8.176 12.134 ( 0.224 -6.266 -6.973) 9.378 12.134 ( 0.224 -6.266 6.973) 9.378 12.418 ( 5.080 2.697 -6.780) 8.891 12.418 ( 5.080 2.697 6.780) 8.891 13.019 ( 2.281 0.814 -2.085) 3.196 13.019 ( 2.281 0.814 2.085) 3.196 13.842 ( 1.455 13.533 -7.448) 15.515 13.842 ( 1.455 13.533 7.448) 15.515 14.693 ( -4.531 -13.066 -6.709) 15.370 14.693 ( -4.531 -13.066 6.709) 15.370 15.714 ( 10.842 2.692 -8.632) 14.118 15.714 ( 10.842 2.692 8.632) 14.118 15.825 ( 8.629 -5.559 -3.879) 10.974 15.825 ( 8.629 -5.559 3.879) 10.974 16.251 ( 5.045 -2.308 -4.232) 6.978 16.251 ( 5.045 -2.308 4.232) 6.978 16.866 ( -9.798 -3.443 -0.640) 10.405 16.866 ( -9.798 -3.443 0.640) 10.405 19.033 ( -1.832 5.070 -1.588) 5.620 19.033 ( -1.832 5.070 1.588) 5.620 19.268 ( -6.243 0.086 -2.042) 6.569 19.268 ( -6.243 0.086 2.042) 6.569 ======================= Grid point 377 (120/120) ======================= q-point: ( 0.44 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.412 ( 2.803 9.169 -1.350) 9.683 2.412 ( 2.803 9.169 1.350) 9.683 2.626 ( -1.979 -5.513 -1.000) 5.942 2.626 ( -1.979 -5.513 1.000) 5.942 2.774 ( 2.469 -2.385 -2.757) 4.403 2.774 ( 2.469 -2.385 2.757) 4.403 2.904 ( -4.305 -4.399 -1.555) 6.349 2.904 ( -4.305 -4.399 1.555) 6.349 3.484 ( 5.450 2.563 -0.263) 6.028 3.484 ( 5.450 2.563 0.263) 6.028 3.681 ( -3.275 -7.694 -0.800) 8.400 3.681 ( -3.275 -7.694 0.800) 8.400 5.246 ( -4.560 1.730 -4.621) 6.719 5.246 ( -4.560 1.730 4.621) 6.719 5.278 ( -7.557 -1.363 -6.547) 10.091 5.278 ( -7.557 -1.363 6.547) 10.091 6.641 ( 3.216 25.611 -2.320) 25.916 6.641 ( 3.216 25.611 2.320) 25.916 7.031 ( 1.321 -9.697 -1.179) 9.858 7.031 ( 1.321 -9.697 1.179) 9.858 7.409 ( 4.177 2.124 -0.451) 4.708 7.409 ( 4.177 2.124 0.451) 4.708 7.597 ( -0.843 -11.596 -1.934) 11.786 7.597 ( -0.843 -11.596 1.934) 11.786 8.066 ( 6.811 -0.400 -1.238) 6.935 8.066 ( 6.811 -0.400 1.238) 6.935 8.221 ( -8.002 1.220 -0.793) 8.133 8.221 ( -8.002 1.220 0.793) 8.133 9.680 ( 10.935 1.096 -0.731) 11.014 9.680 ( 10.935 1.096 0.731) 11.014 9.937 ( -10.001 -1.978 -1.542) 10.311 9.937 ( -10.001 -1.978 1.542) 10.311 10.293 ( 4.238 19.996 -1.785) 20.518 10.293 ( 4.238 19.996 1.785) 20.518 10.757 ( -1.970 -19.095 -1.660) 19.268 10.757 ( -1.970 -19.095 1.660) 19.268 11.976 ( -0.194 7.273 -1.778) 7.490 11.976 ( -0.194 7.273 1.778) 7.490 12.144 ( -0.075 -10.145 -2.961) 10.568 12.144 ( -0.075 -10.145 2.961) 10.568 12.598 ( 11.255 7.827 -4.641) 14.473 12.598 ( 11.255 7.827 4.641) 14.473 12.917 ( -9.751 -1.816 -3.711) 10.590 12.917 ( -9.751 -1.816 3.711) 10.590 13.963 ( 6.687 24.660 -2.956) 25.721 13.963 ( 6.687 24.660 2.956) 25.721 14.587 ( -4.549 -25.407 -2.995) 25.984 14.587 ( -4.549 -25.407 2.995) 25.984 15.878 ( 4.679 0.713 -1.317) 4.913 15.878 ( 4.679 0.713 1.317) 4.913 15.939 ( 2.605 -3.806 -1.306) 4.793 15.939 ( 2.605 -3.806 1.306) 4.793 16.378 ( 6.419 4.468 -2.304) 8.153 16.378 ( 6.419 4.468 2.304) 8.153 16.675 ( -8.015 -8.861 -0.244) 11.950 16.675 ( -8.015 -8.861 0.244) 11.950 19.023 ( 0.571 7.635 -1.138) 7.741 19.023 ( 0.571 7.635 1.138) 7.741 19.158 ( -3.847 -1.912 -1.292) 4.486 19.158 ( -3.847 -1.912 1.292) 4.486 =================== 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 3/37800 10.0 4508.604 6326.121 5336.065 0.000 0.000 0.000 3/37800 20.0 727.317 814.956 670.554 0.000 0.000 0.000 3/37800 30.0 283.710 322.860 262.863 0.000 0.000 0.000 3/37800 40.0 150.670 174.595 142.898 0.000 0.000 0.000 3/37800 50.0 92.591 109.140 89.718 0.000 0.000 -0.000 3/37800 60.0 62.871 75.086 61.952 0.000 0.000 -0.000 3/37800 70.0 45.912 55.299 45.810 0.000 0.000 -0.000 3/37800 80.0 35.396 42.829 35.635 0.000 0.000 -0.000 3/37800 90.0 28.432 34.467 28.806 0.000 0.000 -0.000 3/37800 100.0 23.573 28.580 23.988 0.000 0.000 -0.000 3/37800 110.0 20.036 24.270 20.451 0.000 0.000 -0.000 3/37800 120.0 17.371 21.013 17.769 0.000 0.000 -0.000 3/37800 130.0 15.306 18.485 15.680 0.000 0.000 -0.000 3/37800 140.0 13.667 16.478 14.017 0.000 0.000 -0.000 3/37800 150.0 12.339 14.854 12.666 0.000 0.000 -0.000 3/37800 160.0 11.245 13.516 11.551 0.000 0.000 -0.000 3/37800 170.0 10.329 12.399 10.617 0.000 0.000 -0.000 3/37800 180.0 9.553 11.453 9.825 0.000 0.000 -0.000 3/37800 190.0 8.887 10.644 9.144 0.000 0.000 -0.000 3/37800 200.0 8.310 9.943 8.555 0.000 0.000 -0.000 3/37800 210.0 7.806 9.332 8.039 0.000 0.000 -0.000 3/37800 220.0 7.360 8.793 7.583 0.000 0.000 -0.000 3/37800 230.0 6.965 8.315 7.179 0.000 0.000 -0.000 3/37800 240.0 6.611 7.889 6.817 0.000 0.000 -0.000 3/37800 250.0 6.293 7.505 6.491 0.000 0.000 -0.000 3/37800 260.0 6.006 7.159 6.197 0.000 0.000 -0.000 3/37800 270.0 5.744 6.845 5.929 0.000 0.000 -0.000 3/37800 280.0 5.505 6.558 5.684 0.000 0.000 -0.000 3/37800 290.0 5.286 6.295 5.459 0.000 0.000 -0.000 3/37800 300.0 5.084 6.053 5.252 0.000 0.000 -0.000 3/37800 310.0 4.898 5.830 5.061 0.000 0.000 -0.000 3/37800 320.0 4.725 5.623 4.884 0.000 0.000 -0.000 3/37800 330.0 4.565 5.432 4.720 0.000 0.000 -0.000 3/37800 340.0 4.416 5.253 4.566 0.000 0.000 -0.000 3/37800 350.0 4.276 5.086 4.423 0.000 0.000 -0.000 3/37800 360.0 4.145 4.930 4.288 0.000 0.000 -0.000 3/37800 370.0 4.022 4.783 4.162 0.000 0.000 -0.000 3/37800 380.0 3.907 4.645 4.043 0.000 0.000 -0.000 3/37800 390.0 3.798 4.515 3.932 0.000 0.000 -0.000 3/37800 400.0 3.695 4.393 3.826 0.000 0.000 -0.000 3/37800 410.0 3.598 4.277 3.726 0.000 0.000 -0.000 3/37800 420.0 3.506 4.167 3.631 0.000 0.000 -0.000 3/37800 430.0 3.419 4.063 3.541 0.000 0.000 -0.000 3/37800 440.0 3.336 3.964 3.456 0.000 0.000 -0.000 3/37800 450.0 3.257 3.870 3.374 0.000 0.000 -0.000 3/37800 460.0 3.182 3.781 3.297 0.000 0.000 -0.000 3/37800 470.0 3.110 3.695 3.223 0.000 0.000 -0.000 3/37800 480.0 3.041 3.614 3.152 0.000 0.000 -0.000 3/37800 490.0 2.976 3.536 3.085 0.000 0.000 -0.000 3/37800 500.0 2.913 3.461 3.020 0.000 0.000 -0.000 3/37800 510.0 2.853 3.390 2.958 0.000 0.000 -0.000 3/37800 520.0 2.796 3.321 2.899 0.000 0.000 -0.000 3/37800 530.0 2.741 3.256 2.842 0.000 0.000 -0.000 3/37800 540.0 2.688 3.193 2.787 0.000 0.000 -0.000 3/37800 550.0 2.637 3.132 2.734 0.000 0.000 -0.000 3/37800 560.0 2.588 3.074 2.684 0.000 0.000 -0.000 3/37800 570.0 2.540 3.017 2.635 0.000 0.000 -0.000 3/37800 580.0 2.495 2.963 2.588 0.000 0.000 -0.000 3/37800 590.0 2.451 2.911 2.543 0.000 0.000 -0.000 3/37800 600.0 2.409 2.861 2.499 0.000 0.000 -0.000 3/37800 610.0 2.368 2.812 2.457 0.000 0.000 -0.000 3/37800 620.0 2.328 2.765 2.416 0.000 0.000 -0.000 3/37800 630.0 2.290 2.720 2.376 0.000 0.000 -0.000 3/37800 640.0 2.253 2.676 2.338 0.000 0.000 -0.000 3/37800 650.0 2.218 2.634 2.301 0.000 0.000 -0.000 3/37800 660.0 2.183 2.592 2.265 0.000 0.000 -0.000 3/37800 670.0 2.149 2.553 2.231 0.000 0.000 -0.000 3/37800 680.0 2.117 2.514 2.197 0.000 0.000 -0.000 3/37800 690.0 2.085 2.477 2.165 0.000 0.000 -0.000 3/37800 700.0 2.055 2.440 2.133 0.000 0.000 -0.000 3/37800 710.0 2.025 2.405 2.102 0.000 0.000 -0.000 3/37800 720.0 1.996 2.371 2.072 0.000 0.000 -0.000 3/37800 730.0 1.968 2.337 2.043 0.000 0.000 -0.000 3/37800 740.0 1.941 2.305 2.015 0.000 0.000 -0.000 3/37800 750.0 1.915 2.274 1.988 0.000 0.000 -0.000 3/37800 760.0 1.889 2.243 1.961 0.000 0.000 -0.000 3/37800 770.0 1.864 2.213 1.935 0.000 0.000 -0.000 3/37800 780.0 1.839 2.184 1.910 0.000 0.000 -0.000 3/37800 790.0 1.816 2.156 1.885 0.000 0.000 -0.000 3/37800 800.0 1.793 2.128 1.861 0.000 0.000 -0.000 3/37800 810.0 1.770 2.102 1.838 0.000 0.000 -0.000 3/37800 820.0 1.748 2.075 1.815 0.000 0.000 -0.000 3/37800 830.0 1.726 2.050 1.793 0.000 0.000 -0.000 3/37800 840.0 1.706 2.025 1.771 0.000 0.000 -0.000 3/37800 850.0 1.685 2.001 1.750 0.000 0.000 -0.000 3/37800 860.0 1.665 1.977 1.729 0.000 0.000 -0.000 3/37800 870.0 1.646 1.954 1.709 0.000 0.000 -0.000 3/37800 880.0 1.627 1.932 1.690 0.000 0.000 -0.000 3/37800 890.0 1.608 1.909 1.670 0.000 0.000 -0.000 3/37800 900.0 1.590 1.888 1.651 0.000 0.000 -0.000 3/37800 910.0 1.572 1.867 1.633 0.000 0.000 -0.000 3/37800 920.0 1.555 1.846 1.615 0.000 0.000 -0.000 3/37800 930.0 1.538 1.826 1.597 0.000 0.000 -0.000 3/37800 940.0 1.521 1.806 1.580 0.000 0.000 -0.000 3/37800 950.0 1.505 1.787 1.563 0.000 0.000 -0.000 3/37800 960.0 1.489 1.768 1.547 0.000 0.000 -0.000 3/37800 970.0 1.474 1.750 1.531 0.000 0.000 -0.000 3/37800 980.0 1.458 1.732 1.515 0.000 0.000 -0.000 3/37800 990.0 1.444 1.714 1.500 0.000 0.000 -0.000 3/37800 1000.0 1.429 1.697 1.484 0.000 0.000 -0.000 3/37800 Thermal conductivity related properties were written into "kappa-m9710.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:57:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|