----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 10:55:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmce (64) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.846090690000000 -3.633003334999999 0.000000000000000 b 7.846090690000000 3.633003334999999 0.000000000000000 c 0.000000000000000 0.000000000000000 7.294947790000000 Atomic positions (fractional): *1 Ba 0.67426837671074 0.67426837671074 0.50000000000000 137.327 *2 Ba 0.30884039366629 0.69115960633371 0.19109908133098 137.327 3 Ba 0.69115960633371 0.30884039366629 0.80890091866902 137.327 4 Ba 0.80884039366629 0.19115960633371 0.30890091866902 137.327 5 Ba 0.17426837671074 0.17426837671074 0.00000000000000 137.327 6 Ba 0.32573162328926 0.32573162328926 0.50000000000000 137.327 7 Ba 0.19115960633371 0.80884039366629 0.69109908133098 137.327 8 Ba 0.82573162328926 0.82573162328926 0.00000000000000 137.327 *9 B 0.63799058292819 0.63799058292819 0.00000000000000 10.811 10 B 0.36200941707181 0.36200941707181 0.00000000000000 10.811 11 B 0.86200941707181 0.86200941707181 0.50000000000000 10.811 12 B 0.13799058292819 0.13799058292819 0.50000000000000 10.811 *13 N 0.00316607067878 0.26533520307015 0.63025296433139 14.007 14 N 0.23466479692985 0.49683392932122 0.86974703566861 14.007 15 N 0.50316607067878 0.76533520307015 0.86974703566861 14.007 16 N 0.49683392932122 0.23466479692985 0.13025296433139 14.007 17 N 0.99683392932122 0.73466479692985 0.36974703566861 14.007 18 N 0.73466479692985 0.99683392932122 0.63025296433139 14.007 19 N 0.26533520307015 0.00316607067878 0.36974703566861 14.007 20 N 0.76533520307015 0.50316607067878 0.13025296433139 14.007 *21 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 22 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 15.692181379999999 0.000000000000000 0.000000000000000 b 0.000000000000000 7.266006669999999 0.000000000000000 c 0.000000000000000 0.000000000000000 7.294947790000000 Atomic positions (fractional): *1 Ba 0.67426837671074 0.00000000000000 0.50000000000000 137.327 > 1 *2 Ba 0.00000000000000 0.69115960633371 0.19109908133098 137.327 > 2 3 Ba 0.00000000000000 0.30884039366629 0.80890091866902 137.327 > 3 4 Ba 0.00000000000000 0.19115960633371 0.30890091866902 137.327 > 4 5 Ba 0.67426837671074 0.50000000000000 0.00000000000000 137.327 > 5 6 Ba 0.82573162328926 0.50000000000000 0.50000000000000 137.327 > 6 7 Ba 0.00000000000000 0.80884039366629 0.69109908133098 137.327 > 7 8 Ba 0.82573162328926 0.00000000000000 0.00000000000000 137.327 > 8 9 Ba 0.17426837671074 0.50000000000000 0.50000000000000 137.327 > 1 10 Ba 0.50000000000000 0.19115960633371 0.19109908133098 137.327 > 2 11 Ba 0.50000000000000 0.80884039366629 0.80890091866902 137.327 > 3 12 Ba 0.50000000000000 0.69115960633371 0.30890091866902 137.327 > 4 13 Ba 0.17426837671074 0.00000000000000 0.00000000000000 137.327 > 5 14 Ba 0.32573162328926 0.00000000000000 0.50000000000000 137.327 > 6 15 Ba 0.50000000000000 0.30884039366629 0.69109908133098 137.327 > 7 16 Ba 0.32573162328926 0.50000000000000 0.00000000000000 137.327 > 8 *17 B 0.63799058292819 0.00000000000000 0.00000000000000 10.811 > 9 18 B 0.86200941707181 0.50000000000000 0.00000000000000 10.811 > 10 19 B 0.86200941707181 0.00000000000000 0.50000000000000 10.811 > 11 20 B 0.63799058292819 0.50000000000000 0.50000000000000 10.811 > 12 21 B 0.13799058292819 0.50000000000000 0.00000000000000 10.811 > 9 22 B 0.36200941707181 0.00000000000000 0.00000000000000 10.811 > 10 23 B 0.36200941707181 0.50000000000000 0.50000000000000 10.811 > 11 24 B 0.13799058292819 0.00000000000000 0.50000000000000 10.811 > 12 *25 N 0.63425063687446 0.63108456619568 0.63025296433139 14.007 > 13 26 N 0.86574936312554 0.63108456619568 0.86974703566861 14.007 > 14 27 N 0.63425063687446 0.13108456619568 0.86974703566861 14.007 > 15 28 N 0.86574936312554 0.36891543380432 0.13025296433139 14.007 > 16 29 N 0.86574936312554 0.86891543380432 0.36974703566861 14.007 > 17 30 N 0.86574936312554 0.13108456619568 0.63025296433139 14.007 > 18 31 N 0.63425063687446 0.36891543380432 0.36974703566861 14.007 > 19 32 N 0.63425063687446 0.86891543380432 0.13025296433139 14.007 > 20 33 N 0.13425063687446 0.13108456619568 0.63025296433139 14.007 > 13 34 N 0.36574936312554 0.13108456619568 0.86974703566861 14.007 > 14 35 N 0.13425063687446 0.63108456619568 0.86974703566861 14.007 > 15 36 N 0.36574936312554 0.86891543380432 0.13025296433139 14.007 > 16 37 N 0.36574936312554 0.36891543380432 0.36974703566861 14.007 > 17 38 N 0.36574936312554 0.63108456619568 0.63025296433139 14.007 > 18 39 N 0.13425063687446 0.86891543380432 0.36974703566861 14.007 > 19 40 N 0.13425063687446 0.36891543380432 0.13025296433139 14.007 > 20 *41 O 0.00000000000000 0.50000000000000 0.50000000000000 15.999 > 21 42 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 > 22 43 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 > 21 44 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 22 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.692181379999999 0.000000000000000 0.000000000000000 b 0.000000000000000 14.532013339999997 0.000000000000000 c 0.000000000000000 0.000000000000000 7.294947790000000 Atomic positions (fractional): *1 Ba 0.67426837671074 0.00000000000000 0.50000000000000 137.327 > 1 2 Ba 0.67426837671074 0.50000000000000 0.50000000000000 137.327 > 1 *3 Ba 0.00000000000000 0.34557980316685 0.19109908133098 137.327 > 2 4 Ba 0.00000000000000 0.84557980316685 0.19109908133098 137.327 > 2 5 Ba 0.00000000000000 0.15442019683315 0.80890091866902 137.327 > 3 6 Ba 0.00000000000000 0.65442019683315 0.80890091866902 137.327 > 3 7 Ba 0.00000000000000 0.09557980316685 0.30890091866902 137.327 > 4 8 Ba 0.00000000000000 0.59557980316685 0.30890091866902 137.327 > 4 9 Ba 0.67426837671074 0.25000000000000 0.00000000000000 137.327 > 5 10 Ba 0.67426837671074 0.75000000000000 0.00000000000000 137.327 > 5 11 Ba 0.82573162328926 0.25000000000000 0.50000000000000 137.327 > 6 12 Ba 0.82573162328926 0.75000000000000 0.50000000000000 137.327 > 6 13 Ba 0.00000000000000 0.40442019683315 0.69109908133098 137.327 > 7 14 Ba 0.00000000000000 0.90442019683315 0.69109908133098 137.327 > 7 15 Ba 0.82573162328926 0.00000000000000 0.00000000000000 137.327 > 8 16 Ba 0.82573162328926 0.50000000000000 0.00000000000000 137.327 > 8 17 Ba 0.17426837671074 0.25000000000000 0.50000000000000 137.327 > 1 18 Ba 0.17426837671074 0.75000000000000 0.50000000000000 137.327 > 1 19 Ba 0.50000000000000 0.09557980316685 0.19109908133098 137.327 > 2 20 Ba 0.50000000000000 0.59557980316685 0.19109908133098 137.327 > 2 21 Ba 0.50000000000000 0.40442019683315 0.80890091866902 137.327 > 3 22 Ba 0.50000000000000 0.90442019683315 0.80890091866902 137.327 > 3 23 Ba 0.50000000000000 0.34557980316685 0.30890091866902 137.327 > 4 24 Ba 0.50000000000000 0.84557980316685 0.30890091866902 137.327 > 4 25 Ba 0.17426837671074 0.00000000000000 0.00000000000000 137.327 > 5 26 Ba 0.17426837671074 0.50000000000000 0.00000000000000 137.327 > 5 27 Ba 0.32573162328926 0.00000000000000 0.50000000000000 137.327 > 6 28 Ba 0.32573162328926 0.50000000000000 0.50000000000000 137.327 > 6 29 Ba 0.50000000000000 0.15442019683315 0.69109908133098 137.327 > 7 30 Ba 0.50000000000000 0.65442019683315 0.69109908133098 137.327 > 7 31 Ba 0.32573162328926 0.25000000000000 0.00000000000000 137.327 > 8 32 Ba 0.32573162328926 0.75000000000000 0.00000000000000 137.327 > 8 *33 B 0.63799058292819 0.00000000000000 0.00000000000000 10.811 > 9 34 B 0.63799058292819 0.50000000000000 0.00000000000000 10.811 > 9 35 B 0.86200941707181 0.25000000000000 0.00000000000000 10.811 > 10 36 B 0.86200941707181 0.75000000000000 0.00000000000000 10.811 > 10 37 B 0.86200941707181 0.00000000000000 0.50000000000000 10.811 > 11 38 B 0.86200941707181 0.50000000000000 0.50000000000000 10.811 > 11 39 B 0.63799058292819 0.25000000000000 0.50000000000000 10.811 > 12 40 B 0.63799058292819 0.75000000000000 0.50000000000000 10.811 > 12 41 B 0.13799058292819 0.25000000000000 0.00000000000000 10.811 > 9 42 B 0.13799058292819 0.75000000000000 0.00000000000000 10.811 > 9 43 B 0.36200941707181 0.00000000000000 0.00000000000000 10.811 > 10 44 B 0.36200941707181 0.50000000000000 0.00000000000000 10.811 > 10 45 B 0.36200941707181 0.25000000000000 0.50000000000000 10.811 > 11 46 B 0.36200941707181 0.75000000000000 0.50000000000000 10.811 > 11 47 B 0.13799058292819 0.00000000000000 0.50000000000000 10.811 > 12 48 B 0.13799058292819 0.50000000000000 0.50000000000000 10.811 > 12 *49 N 0.63425063687446 0.31554228309784 0.63025296433139 14.007 > 13 50 N 0.63425063687446 0.81554228309784 0.63025296433139 14.007 > 13 51 N 0.86574936312554 0.31554228309784 0.86974703566861 14.007 > 14 52 N 0.86574936312554 0.81554228309784 0.86974703566861 14.007 > 14 53 N 0.63425063687446 0.06554228309784 0.86974703566861 14.007 > 15 54 N 0.63425063687446 0.56554228309784 0.86974703566861 14.007 > 15 55 N 0.86574936312554 0.18445771690216 0.13025296433139 14.007 > 16 56 N 0.86574936312554 0.68445771690216 0.13025296433139 14.007 > 16 57 N 0.86574936312554 0.43445771690216 0.36974703566861 14.007 > 17 58 N 0.86574936312554 0.93445771690216 0.36974703566861 14.007 > 17 59 N 0.86574936312554 0.06554228309784 0.63025296433139 14.007 > 18 60 N 0.86574936312554 0.56554228309784 0.63025296433139 14.007 > 18 61 N 0.63425063687446 0.18445771690216 0.36974703566861 14.007 > 19 62 N 0.63425063687446 0.68445771690216 0.36974703566861 14.007 > 19 63 N 0.63425063687446 0.43445771690216 0.13025296433139 14.007 > 20 64 N 0.63425063687446 0.93445771690216 0.13025296433139 14.007 > 20 65 N 0.13425063687446 0.06554228309784 0.63025296433139 14.007 > 13 66 N 0.13425063687446 0.56554228309784 0.63025296433139 14.007 > 13 67 N 0.36574936312554 0.06554228309784 0.86974703566861 14.007 > 14 68 N 0.36574936312554 0.56554228309784 0.86974703566861 14.007 > 14 69 N 0.13425063687446 0.31554228309784 0.86974703566861 14.007 > 15 70 N 0.13425063687446 0.81554228309784 0.86974703566861 14.007 > 15 71 N 0.36574936312554 0.43445771690216 0.13025296433139 14.007 > 16 72 N 0.36574936312554 0.93445771690216 0.13025296433139 14.007 > 16 73 N 0.36574936312554 0.18445771690216 0.36974703566861 14.007 > 17 74 N 0.36574936312554 0.68445771690216 0.36974703566861 14.007 > 17 75 N 0.36574936312554 0.31554228309784 0.63025296433139 14.007 > 18 76 N 0.36574936312554 0.81554228309784 0.63025296433139 14.007 > 18 77 N 0.13425063687446 0.43445771690216 0.36974703566861 14.007 > 19 78 N 0.13425063687446 0.93445771690216 0.36974703566861 14.007 > 19 79 N 0.13425063687446 0.18445771690216 0.13025296433139 14.007 > 20 80 N 0.13425063687446 0.68445771690216 0.13025296433139 14.007 > 20 *81 O 0.00000000000000 0.25000000000000 0.50000000000000 15.999 > 21 82 O 0.00000000000000 0.75000000000000 0.50000000000000 15.999 > 21 83 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 > 22 84 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 > 22 85 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 > 21 86 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 > 21 87 O 0.50000000000000 0.25000000000000 0.00000000000000 15.999 > 22 88 O 0.50000000000000 0.75000000000000 0.00000000000000 15.999 > 22 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5837380 0.0000000 0.0000000 0.0000000 4.7911420 0.0000000 0.0000000 0.0000000 4.7676875 -------------------------- Born effective charges -------------------------- 1 Ba 2.9414338 0.0000000 0.0000000 0.0000000 2.6116064 -0.2409774 0.0000000 0.1931964 2.5692459 2 Ba 2.3471481 0.0000000 0.0000000 0.0000000 2.6938817 0.0603904 0.0000000 0.0553775 2.7003416 3 Ba 2.3471481 0.0000000 0.0000000 0.0000000 2.6938817 0.0603904 0.0000000 0.0553775 2.7003416 4 Ba 2.3471481 0.0000000 0.0000000 0.0000000 2.6938817 -0.0603904 0.0000000 -0.0553775 2.7003416 5 Ba 2.9414338 0.0000000 0.0000000 0.0000000 2.6116064 0.2409774 0.0000000 -0.1931964 2.5692459 6 Ba 2.9414338 0.0000000 0.0000000 0.0000000 2.6116064 -0.2409774 0.0000000 0.1931964 2.5692459 7 Ba 2.3471481 0.0000000 0.0000000 0.0000000 2.6938817 -0.0603904 0.0000000 -0.0553775 2.7003416 8 Ba 2.9414338 0.0000000 0.0000000 0.0000000 2.6116064 0.2409774 0.0000000 -0.1931964 2.5692459 9 B -0.2838465 0.0000000 0.0000000 0.0000000 1.3473002 -1.7338457 0.0000000 -1.7698193 1.3670279 10 B -0.2838465 0.0000000 0.0000000 0.0000000 1.3473002 -1.7338457 0.0000000 -1.7698193 1.3670279 11 B -0.2838465 0.0000000 0.0000000 0.0000000 1.3473002 1.7338457 0.0000000 1.7698193 1.3670279 12 B -0.2838465 0.0000000 0.0000000 0.0000000 1.3473002 1.7338457 0.0000000 1.7698193 1.3670279 13 N -1.8621402 0.0488666 0.0462309 0.2110649 -2.6035677 -0.6756465 0.1823814 -0.7229918 -2.5968688 14 N -1.8621402 -0.0488666 0.0462309 -0.2110649 -2.6035677 0.6756465 0.1823814 0.7229918 -2.5968688 15 N -1.8621402 0.0488666 -0.0462309 0.2110649 -2.6035677 0.6756465 -0.1823814 0.7229918 -2.5968688 16 N -1.8621402 0.0488666 -0.0462309 0.2110649 -2.6035677 0.6756465 -0.1823814 0.7229918 -2.5968688 17 N -1.8621402 0.0488666 0.0462309 0.2110649 -2.6035677 -0.6756465 0.1823814 -0.7229918 -2.5968688 18 N -1.8621402 -0.0488666 -0.0462309 -0.2110649 -2.6035677 -0.6756465 -0.1823814 -0.7229918 -2.5968688 19 N -1.8621402 -0.0488666 -0.0462309 -0.2110649 -2.6035677 -0.6756465 -0.1823814 -0.7229918 -2.5968688 20 N -1.8621402 -0.0488666 0.0462309 -0.2110649 -2.6035677 0.6756465 0.1823814 0.7229918 -2.5968688 21 O -2.5609101 0.0000000 0.0000000 0.0000000 -2.8913060 0.2630316 0.0000000 -0.2417211 -2.8857556 22 O -2.5609101 0.0000000 0.0000000 0.0000000 -2.8913060 -0.2630316 0.0000000 0.2417211 -2.8857556 ---------------------------------------------------------------------------- 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: 264/264 Permutation basis: 10110/10110 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1214 Number of blocks in projector: 1214 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: 286 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 176 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 176 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 176 Use standard eigh solver. Tree of FC basis block matrices: - (1214, 1185), data: False |-- (176, 171), data: True |-- (176, 171), data: True |-- (176, 171), data: True |-- (200, 198), data: True |-- (200, 198), data: True |-- (286, 276), data: True ----- Solver_atoms: 1 -- 88 / 88 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 400 - Time: 1.122 Solver_block: 200 / 400 - Time: 1.105 Solver_block: 300 / 400 - Time: 1.103 Solver_block: 400 / 400 - Time: 1.105 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.512 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 264/264 Permutation basis: 10110/10110 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1214 Number of blocks in projector: 1214 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: 286 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 176 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 176 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 176 Use standard eigh solver. Tree of FC basis block matrices: - (1214, 1185), data: False |-- (176, 171), data: True |-- (176, 171), data: True |-- (176, 171), data: True |-- (200, 198), data: True |-- (200, 198), data: True |-- (286, 276), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) 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 10:55:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:55:23]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmce (64) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.846090690000000 -3.633003334999999 0.000000000000000 b 7.846090690000000 3.633003334999999 0.000000000000000 c 0.000000000000000 0.000000000000000 7.294947790000000 Atomic positions (fractional): 1 Ba 0.67426837671074 0.67426837671074 0.50000000000000 137.327 2 Ba 0.30884039366629 0.69115960633371 0.19109908133098 137.327 3 Ba 0.69115960633371 0.30884039366629 0.80890091866902 137.327 4 Ba 0.80884039366629 0.19115960633371 0.30890091866902 137.327 5 Ba 0.17426837671074 0.17426837671074 0.00000000000000 137.327 6 Ba 0.32573162328926 0.32573162328926 0.50000000000000 137.327 7 Ba 0.19115960633371 0.80884039366629 0.69109908133098 137.327 8 Ba 0.82573162328926 0.82573162328926 0.00000000000000 137.327 9 B 0.63799058292819 0.63799058292819 0.00000000000000 10.811 10 B 0.36200941707181 0.36200941707181 0.00000000000000 10.811 11 B 0.86200941707181 0.86200941707181 0.50000000000000 10.811 12 B 0.13799058292819 0.13799058292819 0.50000000000000 10.811 13 N 0.00316607067878 0.26533520307015 0.63025296433139 14.007 14 N 0.23466479692985 0.49683392932122 0.86974703566861 14.007 15 N 0.50316607067878 0.76533520307015 0.86974703566861 14.007 16 N 0.49683392932122 0.23466479692985 0.13025296433139 14.007 17 N 0.99683392932122 0.73466479692985 0.36974703566861 14.007 18 N 0.73466479692985 0.99683392932122 0.63025296433139 14.007 19 N 0.26533520307015 0.00316607067878 0.36974703566861 14.007 20 N 0.76533520307015 0.50316607067878 0.13025296433139 14.007 21 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 22 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.692181379999999 0.000000000000000 0.000000000000000 b 0.000000000000000 14.532013339999997 0.000000000000000 c 0.000000000000000 0.000000000000000 7.294947790000000 Atomic positions (fractional): 1 Ba 0.67426837671074 0.00000000000000 0.50000000000000 137.327 > 1 2 Ba 0.67426837671074 0.50000000000000 0.50000000000000 137.327 > 1 3 Ba 0.00000000000000 0.34557980316685 0.19109908133098 137.327 > 3 4 Ba 0.00000000000000 0.84557980316685 0.19109908133098 137.327 > 3 5 Ba 0.00000000000000 0.15442019683315 0.80890091866902 137.327 > 5 6 Ba 0.00000000000000 0.65442019683315 0.80890091866902 137.327 > 5 7 Ba 0.00000000000000 0.09557980316685 0.30890091866902 137.327 > 7 8 Ba 0.00000000000000 0.59557980316685 0.30890091866902 137.327 > 7 9 Ba 0.67426837671074 0.25000000000000 0.00000000000000 137.327 > 9 10 Ba 0.67426837671074 0.75000000000000 0.00000000000000 137.327 > 9 11 Ba 0.82573162328926 0.25000000000000 0.50000000000000 137.327 > 11 12 Ba 0.82573162328926 0.75000000000000 0.50000000000000 137.327 > 11 13 Ba 0.00000000000000 0.40442019683315 0.69109908133098 137.327 > 13 14 Ba 0.00000000000000 0.90442019683315 0.69109908133098 137.327 > 13 15 Ba 0.82573162328926 0.00000000000000 0.00000000000000 137.327 > 15 16 Ba 0.82573162328926 0.50000000000000 0.00000000000000 137.327 > 15 17 Ba 0.17426837671074 0.25000000000000 0.50000000000000 137.327 > 1 18 Ba 0.17426837671074 0.75000000000000 0.50000000000000 137.327 > 1 19 Ba 0.50000000000000 0.09557980316685 0.19109908133098 137.327 > 3 20 Ba 0.50000000000000 0.59557980316685 0.19109908133098 137.327 > 3 21 Ba 0.50000000000000 0.40442019683315 0.80890091866902 137.327 > 5 22 Ba 0.50000000000000 0.90442019683315 0.80890091866902 137.327 > 5 23 Ba 0.50000000000000 0.34557980316685 0.30890091866902 137.327 > 7 24 Ba 0.50000000000000 0.84557980316685 0.30890091866902 137.327 > 7 25 Ba 0.17426837671074 0.00000000000000 0.00000000000000 137.327 > 9 26 Ba 0.17426837671074 0.50000000000000 0.00000000000000 137.327 > 9 27 Ba 0.32573162328926 0.00000000000000 0.50000000000000 137.327 > 11 28 Ba 0.32573162328926 0.50000000000000 0.50000000000000 137.327 > 11 29 Ba 0.50000000000000 0.15442019683315 0.69109908133098 137.327 > 13 30 Ba 0.50000000000000 0.65442019683315 0.69109908133098 137.327 > 13 31 Ba 0.32573162328926 0.25000000000000 0.00000000000000 137.327 > 15 32 Ba 0.32573162328926 0.75000000000000 0.00000000000000 137.327 > 15 33 B 0.63799058292819 0.00000000000000 0.00000000000000 10.811 > 33 34 B 0.63799058292819 0.50000000000000 0.00000000000000 10.811 > 33 35 B 0.86200941707181 0.25000000000000 0.00000000000000 10.811 > 35 36 B 0.86200941707181 0.75000000000000 0.00000000000000 10.811 > 35 37 B 0.86200941707181 0.00000000000000 0.50000000000000 10.811 > 37 38 B 0.86200941707181 0.50000000000000 0.50000000000000 10.811 > 37 39 B 0.63799058292819 0.25000000000000 0.50000000000000 10.811 > 39 40 B 0.63799058292819 0.75000000000000 0.50000000000000 10.811 > 39 41 B 0.13799058292819 0.25000000000000 0.00000000000000 10.811 > 33 42 B 0.13799058292819 0.75000000000000 0.00000000000000 10.811 > 33 43 B 0.36200941707181 0.00000000000000 0.00000000000000 10.811 > 35 44 B 0.36200941707181 0.50000000000000 0.00000000000000 10.811 > 35 45 B 0.36200941707181 0.25000000000000 0.50000000000000 10.811 > 37 46 B 0.36200941707181 0.75000000000000 0.50000000000000 10.811 > 37 47 B 0.13799058292819 0.00000000000000 0.50000000000000 10.811 > 39 48 B 0.13799058292819 0.50000000000000 0.50000000000000 10.811 > 39 49 N 0.63425063687446 0.31554228309784 0.63025296433139 14.007 > 49 50 N 0.63425063687446 0.81554228309784 0.63025296433139 14.007 > 49 51 N 0.86574936312554 0.31554228309784 0.86974703566861 14.007 > 51 52 N 0.86574936312554 0.81554228309784 0.86974703566861 14.007 > 51 53 N 0.63425063687446 0.06554228309784 0.86974703566861 14.007 > 53 54 N 0.63425063687446 0.56554228309784 0.86974703566861 14.007 > 53 55 N 0.86574936312554 0.18445771690216 0.13025296433139 14.007 > 55 56 N 0.86574936312554 0.68445771690216 0.13025296433139 14.007 > 55 57 N 0.86574936312554 0.43445771690216 0.36974703566861 14.007 > 57 58 N 0.86574936312554 0.93445771690216 0.36974703566861 14.007 > 57 59 N 0.86574936312554 0.06554228309784 0.63025296433139 14.007 > 59 60 N 0.86574936312554 0.56554228309784 0.63025296433139 14.007 > 59 61 N 0.63425063687446 0.18445771690216 0.36974703566861 14.007 > 61 62 N 0.63425063687446 0.68445771690216 0.36974703566861 14.007 > 61 63 N 0.63425063687446 0.43445771690216 0.13025296433139 14.007 > 63 64 N 0.63425063687446 0.93445771690216 0.13025296433139 14.007 > 63 65 N 0.13425063687446 0.06554228309784 0.63025296433139 14.007 > 49 66 N 0.13425063687446 0.56554228309784 0.63025296433139 14.007 > 49 67 N 0.36574936312554 0.06554228309784 0.86974703566861 14.007 > 51 68 N 0.36574936312554 0.56554228309784 0.86974703566861 14.007 > 51 69 N 0.13425063687446 0.31554228309784 0.86974703566861 14.007 > 53 70 N 0.13425063687446 0.81554228309784 0.86974703566861 14.007 > 53 71 N 0.36574936312554 0.43445771690216 0.13025296433139 14.007 > 55 72 N 0.36574936312554 0.93445771690216 0.13025296433139 14.007 > 55 73 N 0.36574936312554 0.18445771690216 0.36974703566861 14.007 > 57 74 N 0.36574936312554 0.68445771690216 0.36974703566861 14.007 > 57 75 N 0.36574936312554 0.31554228309784 0.63025296433139 14.007 > 59 76 N 0.36574936312554 0.81554228309784 0.63025296433139 14.007 > 59 77 N 0.13425063687446 0.43445771690216 0.36974703566861 14.007 > 61 78 N 0.13425063687446 0.93445771690216 0.36974703566861 14.007 > 61 79 N 0.13425063687446 0.18445771690216 0.13025296433139 14.007 > 63 80 N 0.13425063687446 0.68445771690216 0.13025296433139 14.007 > 63 81 O 0.00000000000000 0.25000000000000 0.50000000000000 15.999 > 81 82 O 0.00000000000000 0.75000000000000 0.50000000000000 15.999 > 81 83 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 > 83 84 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 > 83 85 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 > 81 86 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 > 81 87 O 0.50000000000000 0.25000000000000 0.00000000000000 15.999 > 83 88 O 0.50000000000000 0.75000000000000 0.00000000000000 15.999 > 83 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5837380 0.0000000 0.0000000 0.0000000 4.7911420 0.0000000 0.0000000 0.0000000 4.7676875 -------------------------- Born effective charges -------------------------- 1 Ba 2.9414338 0.0000000 0.0000000 0.0000000 2.6116064 -0.2409774 0.0000000 0.1931964 2.5692459 2 Ba 2.3471481 0.0000000 0.0000000 0.0000000 2.6938817 0.0603904 0.0000000 0.0553775 2.7003416 3 Ba 2.3471481 0.0000000 0.0000000 0.0000000 2.6938817 0.0603904 0.0000000 0.0553775 2.7003416 4 Ba 2.3471481 0.0000000 0.0000000 0.0000000 2.6938817 -0.0603904 0.0000000 -0.0553775 2.7003416 5 Ba 2.9414338 0.0000000 0.0000000 0.0000000 2.6116064 0.2409774 0.0000000 -0.1931964 2.5692459 6 Ba 2.9414338 0.0000000 0.0000000 0.0000000 2.6116064 -0.2409774 0.0000000 0.1931964 2.5692459 7 Ba 2.3471481 0.0000000 0.0000000 0.0000000 2.6938817 -0.0603904 0.0000000 -0.0553775 2.7003416 8 Ba 2.9414338 0.0000000 0.0000000 0.0000000 2.6116064 0.2409774 0.0000000 -0.1931964 2.5692459 9 B -0.2838465 0.0000000 0.0000000 0.0000000 1.3473002 -1.7338457 0.0000000 -1.7698193 1.3670279 10 B -0.2838465 0.0000000 0.0000000 0.0000000 1.3473002 -1.7338457 0.0000000 -1.7698193 1.3670279 11 B -0.2838465 0.0000000 0.0000000 0.0000000 1.3473002 1.7338457 0.0000000 1.7698193 1.3670279 12 B -0.2838465 0.0000000 0.0000000 0.0000000 1.3473002 1.7338457 0.0000000 1.7698193 1.3670279 13 N -1.8621402 0.0488666 0.0462309 0.2110649 -2.6035677 -0.6756465 0.1823814 -0.7229918 -2.5968688 14 N -1.8621402 -0.0488666 0.0462309 -0.2110649 -2.6035677 0.6756465 0.1823814 0.7229918 -2.5968688 15 N -1.8621402 0.0488666 -0.0462309 0.2110649 -2.6035677 0.6756465 -0.1823814 0.7229918 -2.5968688 16 N -1.8621402 0.0488666 -0.0462309 0.2110649 -2.6035677 0.6756465 -0.1823814 0.7229918 -2.5968688 17 N -1.8621402 0.0488666 0.0462309 0.2110649 -2.6035677 -0.6756465 0.1823814 -0.7229918 -2.5968688 18 N -1.8621402 -0.0488666 -0.0462309 -0.2110649 -2.6035677 -0.6756465 -0.1823814 -0.7229918 -2.5968688 19 N -1.8621402 -0.0488666 -0.0462309 -0.2110649 -2.6035677 -0.6756465 -0.1823814 -0.7229918 -2.5968688 20 N -1.8621402 -0.0488666 0.0462309 -0.2110649 -2.6035677 0.6756465 0.1823814 0.7229918 -2.5968688 21 O -2.5609101 0.0000000 0.0000000 0.0000000 -2.8913060 0.2630316 0.0000000 -0.2417211 -2.8857556 22 O -2.5609101 0.0000000 0.0000000 0.0000000 -2.8913060 -0.2630316 0.0000000 0.2417211 -2.8857556 ---------------------------------------------------------------------------- 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[ 3, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, 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: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zy) 0.00000000 (zy) 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 10:55:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:55:37]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmce (64) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.846090690000000 -3.633003334999999 0.000000000000000 b 7.846090690000000 3.633003334999999 0.000000000000000 c 0.000000000000000 0.000000000000000 7.294947790000000 Atomic positions (fractional): 1 Ba 0.67426837671074 0.67426837671074 0.50000000000000 137.327 2 Ba 0.30884039366629 0.69115960633371 0.19109908133098 137.327 3 Ba 0.69115960633371 0.30884039366629 0.80890091866902 137.327 4 Ba 0.80884039366629 0.19115960633371 0.30890091866902 137.327 5 Ba 0.17426837671074 0.17426837671074 0.00000000000000 137.327 6 Ba 0.32573162328926 0.32573162328926 0.50000000000000 137.327 7 Ba 0.19115960633371 0.80884039366629 0.69109908133098 137.327 8 Ba 0.82573162328926 0.82573162328926 0.00000000000000 137.327 9 B 0.63799058292819 0.63799058292819 0.00000000000000 10.811 10 B 0.36200941707181 0.36200941707181 0.00000000000000 10.811 11 B 0.86200941707181 0.86200941707181 0.50000000000000 10.811 12 B 0.13799058292819 0.13799058292819 0.50000000000000 10.811 13 N 0.00316607067878 0.26533520307015 0.63025296433139 14.007 14 N 0.23466479692985 0.49683392932122 0.86974703566861 14.007 15 N 0.50316607067878 0.76533520307015 0.86974703566861 14.007 16 N 0.49683392932122 0.23466479692985 0.13025296433139 14.007 17 N 0.99683392932122 0.73466479692985 0.36974703566861 14.007 18 N 0.73466479692985 0.99683392932122 0.63025296433139 14.007 19 N 0.26533520307015 0.00316607067878 0.36974703566861 14.007 20 N 0.76533520307015 0.50316607067878 0.13025296433139 14.007 21 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 22 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.692181379999999 0.000000000000000 0.000000000000000 b 0.000000000000000 14.532013339999997 0.000000000000000 c 0.000000000000000 0.000000000000000 7.294947790000000 Atomic positions (fractional): 1 Ba 0.67426837671074 0.00000000000000 0.50000000000000 137.327 > 1 2 Ba 0.67426837671074 0.50000000000000 0.50000000000000 137.327 > 1 3 Ba 0.00000000000000 0.34557980316685 0.19109908133098 137.327 > 3 4 Ba 0.00000000000000 0.84557980316685 0.19109908133098 137.327 > 3 5 Ba 0.00000000000000 0.15442019683315 0.80890091866902 137.327 > 5 6 Ba 0.00000000000000 0.65442019683315 0.80890091866902 137.327 > 5 7 Ba 0.00000000000000 0.09557980316685 0.30890091866902 137.327 > 7 8 Ba 0.00000000000000 0.59557980316685 0.30890091866902 137.327 > 7 9 Ba 0.67426837671074 0.25000000000000 0.00000000000000 137.327 > 9 10 Ba 0.67426837671074 0.75000000000000 0.00000000000000 137.327 > 9 11 Ba 0.82573162328926 0.25000000000000 0.50000000000000 137.327 > 11 12 Ba 0.82573162328926 0.75000000000000 0.50000000000000 137.327 > 11 13 Ba 0.00000000000000 0.40442019683315 0.69109908133098 137.327 > 13 14 Ba 0.00000000000000 0.90442019683315 0.69109908133098 137.327 > 13 15 Ba 0.82573162328926 0.00000000000000 0.00000000000000 137.327 > 15 16 Ba 0.82573162328926 0.50000000000000 0.00000000000000 137.327 > 15 17 Ba 0.17426837671074 0.25000000000000 0.50000000000000 137.327 > 1 18 Ba 0.17426837671074 0.75000000000000 0.50000000000000 137.327 > 1 19 Ba 0.50000000000000 0.09557980316685 0.19109908133098 137.327 > 3 20 Ba 0.50000000000000 0.59557980316685 0.19109908133098 137.327 > 3 21 Ba 0.50000000000000 0.40442019683315 0.80890091866902 137.327 > 5 22 Ba 0.50000000000000 0.90442019683315 0.80890091866902 137.327 > 5 23 Ba 0.50000000000000 0.34557980316685 0.30890091866902 137.327 > 7 24 Ba 0.50000000000000 0.84557980316685 0.30890091866902 137.327 > 7 25 Ba 0.17426837671074 0.00000000000000 0.00000000000000 137.327 > 9 26 Ba 0.17426837671074 0.50000000000000 0.00000000000000 137.327 > 9 27 Ba 0.32573162328926 0.00000000000000 0.50000000000000 137.327 > 11 28 Ba 0.32573162328926 0.50000000000000 0.50000000000000 137.327 > 11 29 Ba 0.50000000000000 0.15442019683315 0.69109908133098 137.327 > 13 30 Ba 0.50000000000000 0.65442019683315 0.69109908133098 137.327 > 13 31 Ba 0.32573162328926 0.25000000000000 0.00000000000000 137.327 > 15 32 Ba 0.32573162328926 0.75000000000000 0.00000000000000 137.327 > 15 33 B 0.63799058292819 0.00000000000000 0.00000000000000 10.811 > 33 34 B 0.63799058292819 0.50000000000000 0.00000000000000 10.811 > 33 35 B 0.86200941707181 0.25000000000000 0.00000000000000 10.811 > 35 36 B 0.86200941707181 0.75000000000000 0.00000000000000 10.811 > 35 37 B 0.86200941707181 0.00000000000000 0.50000000000000 10.811 > 37 38 B 0.86200941707181 0.50000000000000 0.50000000000000 10.811 > 37 39 B 0.63799058292819 0.25000000000000 0.50000000000000 10.811 > 39 40 B 0.63799058292819 0.75000000000000 0.50000000000000 10.811 > 39 41 B 0.13799058292819 0.25000000000000 0.00000000000000 10.811 > 33 42 B 0.13799058292819 0.75000000000000 0.00000000000000 10.811 > 33 43 B 0.36200941707181 0.00000000000000 0.00000000000000 10.811 > 35 44 B 0.36200941707181 0.50000000000000 0.00000000000000 10.811 > 35 45 B 0.36200941707181 0.25000000000000 0.50000000000000 10.811 > 37 46 B 0.36200941707181 0.75000000000000 0.50000000000000 10.811 > 37 47 B 0.13799058292819 0.00000000000000 0.50000000000000 10.811 > 39 48 B 0.13799058292819 0.50000000000000 0.50000000000000 10.811 > 39 49 N 0.63425063687446 0.31554228309784 0.63025296433139 14.007 > 49 50 N 0.63425063687446 0.81554228309784 0.63025296433139 14.007 > 49 51 N 0.86574936312554 0.31554228309784 0.86974703566861 14.007 > 51 52 N 0.86574936312554 0.81554228309784 0.86974703566861 14.007 > 51 53 N 0.63425063687446 0.06554228309784 0.86974703566861 14.007 > 53 54 N 0.63425063687446 0.56554228309784 0.86974703566861 14.007 > 53 55 N 0.86574936312554 0.18445771690216 0.13025296433139 14.007 > 55 56 N 0.86574936312554 0.68445771690216 0.13025296433139 14.007 > 55 57 N 0.86574936312554 0.43445771690216 0.36974703566861 14.007 > 57 58 N 0.86574936312554 0.93445771690216 0.36974703566861 14.007 > 57 59 N 0.86574936312554 0.06554228309784 0.63025296433139 14.007 > 59 60 N 0.86574936312554 0.56554228309784 0.63025296433139 14.007 > 59 61 N 0.63425063687446 0.18445771690216 0.36974703566861 14.007 > 61 62 N 0.63425063687446 0.68445771690216 0.36974703566861 14.007 > 61 63 N 0.63425063687446 0.43445771690216 0.13025296433139 14.007 > 63 64 N 0.63425063687446 0.93445771690216 0.13025296433139 14.007 > 63 65 N 0.13425063687446 0.06554228309784 0.63025296433139 14.007 > 49 66 N 0.13425063687446 0.56554228309784 0.63025296433139 14.007 > 49 67 N 0.36574936312554 0.06554228309784 0.86974703566861 14.007 > 51 68 N 0.36574936312554 0.56554228309784 0.86974703566861 14.007 > 51 69 N 0.13425063687446 0.31554228309784 0.86974703566861 14.007 > 53 70 N 0.13425063687446 0.81554228309784 0.86974703566861 14.007 > 53 71 N 0.36574936312554 0.43445771690216 0.13025296433139 14.007 > 55 72 N 0.36574936312554 0.93445771690216 0.13025296433139 14.007 > 55 73 N 0.36574936312554 0.18445771690216 0.36974703566861 14.007 > 57 74 N 0.36574936312554 0.68445771690216 0.36974703566861 14.007 > 57 75 N 0.36574936312554 0.31554228309784 0.63025296433139 14.007 > 59 76 N 0.36574936312554 0.81554228309784 0.63025296433139 14.007 > 59 77 N 0.13425063687446 0.43445771690216 0.36974703566861 14.007 > 61 78 N 0.13425063687446 0.93445771690216 0.36974703566861 14.007 > 61 79 N 0.13425063687446 0.18445771690216 0.13025296433139 14.007 > 63 80 N 0.13425063687446 0.68445771690216 0.13025296433139 14.007 > 63 81 O 0.00000000000000 0.25000000000000 0.50000000000000 15.999 > 81 82 O 0.00000000000000 0.75000000000000 0.50000000000000 15.999 > 81 83 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 > 83 84 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 > 83 85 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 > 81 86 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 > 81 87 O 0.50000000000000 0.25000000000000 0.00000000000000 15.999 > 83 88 O 0.50000000000000 0.75000000000000 0.00000000000000 15.999 > 83 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.5837380 0.0000000 0.0000000 0.0000000 4.7911420 0.0000000 0.0000000 0.0000000 4.7676875 -------------------------- Born effective charges -------------------------- 1 Ba 2.9414338 0.0000000 0.0000000 0.0000000 2.6116064 -0.2409774 0.0000000 0.1931964 2.5692459 2 Ba 2.3471481 0.0000000 0.0000000 0.0000000 2.6938817 0.0603904 0.0000000 0.0553775 2.7003416 3 Ba 2.3471481 0.0000000 0.0000000 0.0000000 2.6938817 0.0603904 0.0000000 0.0553775 2.7003416 4 Ba 2.3471481 0.0000000 0.0000000 0.0000000 2.6938817 -0.0603904 0.0000000 -0.0553775 2.7003416 5 Ba 2.9414338 0.0000000 0.0000000 0.0000000 2.6116064 0.2409774 0.0000000 -0.1931964 2.5692459 6 Ba 2.9414338 0.0000000 0.0000000 0.0000000 2.6116064 -0.2409774 0.0000000 0.1931964 2.5692459 7 Ba 2.3471481 0.0000000 0.0000000 0.0000000 2.6938817 -0.0603904 0.0000000 -0.0553775 2.7003416 8 Ba 2.9414338 0.0000000 0.0000000 0.0000000 2.6116064 0.2409774 0.0000000 -0.1931964 2.5692459 9 B -0.2838465 0.0000000 0.0000000 0.0000000 1.3473002 -1.7338457 0.0000000 -1.7698193 1.3670279 10 B -0.2838465 0.0000000 0.0000000 0.0000000 1.3473002 -1.7338457 0.0000000 -1.7698193 1.3670279 11 B -0.2838465 0.0000000 0.0000000 0.0000000 1.3473002 1.7338457 0.0000000 1.7698193 1.3670279 12 B -0.2838465 0.0000000 0.0000000 0.0000000 1.3473002 1.7338457 0.0000000 1.7698193 1.3670279 13 N -1.8621402 0.0488666 0.0462309 0.2110649 -2.6035677 -0.6756465 0.1823814 -0.7229918 -2.5968688 14 N -1.8621402 -0.0488666 0.0462309 -0.2110649 -2.6035677 0.6756465 0.1823814 0.7229918 -2.5968688 15 N -1.8621402 0.0488666 -0.0462309 0.2110649 -2.6035677 0.6756465 -0.1823814 0.7229918 -2.5968688 16 N -1.8621402 0.0488666 -0.0462309 0.2110649 -2.6035677 0.6756465 -0.1823814 0.7229918 -2.5968688 17 N -1.8621402 0.0488666 0.0462309 0.2110649 -2.6035677 -0.6756465 0.1823814 -0.7229918 -2.5968688 18 N -1.8621402 -0.0488666 -0.0462309 -0.2110649 -2.6035677 -0.6756465 -0.1823814 -0.7229918 -2.5968688 19 N -1.8621402 -0.0488666 -0.0462309 -0.2110649 -2.6035677 -0.6756465 -0.1823814 -0.7229918 -2.5968688 20 N -1.8621402 -0.0488666 0.0462309 -0.2110649 -2.6035677 0.6756465 0.1823814 0.7229918 -2.5968688 21 O -2.5609101 0.0000000 0.0000000 0.0000000 -2.8913060 0.2630316 0.0000000 -0.2417211 -2.8857556 22 O -2.5609101 0.0000000 0.0000000 0.0000000 -2.8913060 -0.2630316 0.0000000 0.2417211 -2.8857556 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 8 7 ] 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: 0.56, Number of G-points: 293, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/84) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.073 ( 0.000 0.000 0.000) 0.000 1.849 ( 0.000 0.000 0.000) 0.000 1.868 ( 0.000 0.000 0.000) 0.000 2.102 ( 0.000 0.000 0.000) 0.000 2.177 ( 0.000 0.000 0.000) 0.000 2.273 ( 0.000 0.000 0.000) 0.000 2.297 ( 0.000 0.000 0.000) 0.000 2.359 ( 0.000 0.000 0.000) 0.000 2.416 ( 0.000 0.000 0.000) 0.000 2.560 ( 0.000 0.000 0.000) 0.000 2.613 ( 0.000 0.000 0.000) 0.000 2.742 ( 0.000 0.000 0.000) 0.000 3.006 ( 0.000 0.000 0.000) 0.000 3.016 ( 0.000 0.000 0.000) 0.000 3.133 ( 0.000 0.000 0.000) 0.000 3.164 ( 0.000 0.000 0.000) 0.000 3.201 ( 0.000 0.000 0.000) 0.000 3.409 ( 0.000 0.000 0.000) 0.000 3.655 ( 0.000 0.000 0.000) 0.000 3.837 ( 0.000 0.000 0.000) 0.000 3.967 ( 0.000 0.000 0.000) 0.000 4.041 ( 0.000 0.000 0.000) 0.000 4.181 ( 0.000 0.000 0.000) 0.000 4.474 ( 0.000 0.000 0.000) 0.000 4.914 ( 0.000 0.000 0.000) 0.000 5.169 ( 0.000 0.000 0.000) 0.000 5.213 ( 0.000 0.000 0.000) 0.000 5.527 ( 0.000 0.000 0.000) 0.000 5.557 ( 0.000 0.000 0.000) 0.000 5.576 ( 0.000 0.000 0.000) 0.000 5.630 ( 0.000 0.000 0.000) 0.000 5.736 ( 0.000 0.000 0.000) 0.000 5.794 ( 0.000 0.000 0.000) 0.000 5.915 ( 0.000 0.000 0.000) 0.000 5.978 ( 0.000 0.000 0.000) 0.000 6.009 ( 0.000 0.000 0.000) 0.000 6.015 ( 0.000 0.000 0.000) 0.000 6.024 ( 0.000 0.000 0.000) 0.000 6.462 ( 0.000 0.000 0.000) 0.000 7.540 ( 0.000 0.000 0.000) 0.000 8.120 ( 0.000 0.000 0.000) 0.000 8.223 ( 0.000 0.000 0.000) 0.000 8.293 ( 0.000 0.000 0.000) 0.000 8.713 ( 0.000 0.000 0.000) 0.000 9.410 ( 0.000 0.000 0.000) 0.000 11.192 ( 0.000 0.000 0.000) 0.000 11.220 ( 0.000 0.000 0.000) 0.000 16.948 ( 0.000 0.000 0.000) 0.000 16.959 ( 0.000 0.000 0.000) 0.000 16.972 ( 0.000 0.000 0.000) 0.000 16.977 ( 0.000 0.000 0.000) 0.000 18.221 ( 0.000 0.000 0.000) 0.000 18.240 ( 0.000 0.000 0.000) 0.000 18.266 ( 0.000 0.000 0.000) 0.000 18.312 ( 0.000 0.000 0.000) 0.000 30.783 ( 0.000 0.000 0.000) 0.000 30.832 ( 0.000 0.000 0.000) 0.000 30.863 ( 0.000 0.000 0.000) 0.000 30.968 ( 0.000 0.000 0.000) 0.000 50.203 ( 0.000 0.000 0.000) 0.000 50.324 ( 0.000 0.000 0.000) 0.000 50.390 ( 0.000 0.000 0.000) 0.000 50.528 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/84) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.358 ( 26.413 -8.647 0.000) 27.792 0.476 ( 4.303 -25.258 0.000) 25.622 0.759 ( 8.416 -38.635 0.000) 39.541 1.144 ( 5.017 -5.302 0.000) 7.300 1.754 ( -13.041 0.173 0.000) 13.042 1.921 ( 6.196 1.216 0.000) 6.314 2.109 ( -6.024 -3.287 0.000) 6.863 2.215 ( -3.964 3.722 0.000) 5.438 2.241 ( 2.937 -0.074 0.000) 2.938 2.320 ( 5.446 0.515 0.000) 5.470 2.402 ( 1.660 -1.441 0.000) 2.198 2.476 ( 0.175 -5.537 0.000) 5.540 2.510 ( -1.687 1.934 0.000) 2.567 2.635 ( 3.147 -1.154 0.000) 3.352 2.826 ( -0.874 -8.573 0.000) 8.618 2.978 ( -3.846 1.121 0.000) 4.006 3.017 ( 0.856 0.814 0.000) 1.181 3.143 ( -0.627 -1.568 0.000) 1.688 3.206 ( 0.123 -4.478 0.000) 4.479 3.247 ( -2.963 -3.874 0.000) 4.877 3.329 ( 2.193 4.334 0.000) 4.857 3.785 ( -4.434 -6.579 0.000) 7.934 3.905 ( 7.238 0.571 0.000) 7.260 3.918 ( 0.858 5.808 0.000) 5.871 4.049 ( -9.330 -4.003 0.000) 10.153 4.218 ( 8.721 -0.182 0.000) 8.723 4.834 ( -15.013 -6.456 0.000) 16.343 4.853 ( 0.387 5.964 0.000) 5.977 5.129 ( -1.825 7.324 0.000) 7.548 5.254 ( 2.444 -7.263 0.000) 7.664 5.442 ( 10.454 12.401 0.000) 16.220 5.499 ( 0.768 5.738 0.000) 5.789 5.665 ( -0.534 -3.108 0.000) 3.153 5.766 ( -5.674 -6.238 0.000) 8.433 5.828 ( -10.457 -10.580 0.000) 14.876 5.899 ( 0.426 6.138 0.000) 6.153 5.923 ( 0.799 -0.275 0.000) 0.845 5.958 ( -5.232 -2.172 0.000) 5.665 6.075 ( 0.905 -1.500 0.000) 1.752 6.092 ( 4.607 -3.529 0.000) 5.803 6.442 ( -0.940 1.584 0.000) 1.842 7.332 ( 5.123 2.760 0.000) 5.820 7.595 ( 6.714 10.114 0.000) 12.140 8.034 ( 0.550 9.511 0.000) 9.527 8.375 ( 0.419 -16.886 0.000) 16.891 8.741 ( 19.403 6.022 0.000) 20.316 9.377 ( -0.557 3.609 0.000) 3.651 10.193 ( -2.249 -1.358 0.000) 2.627 11.172 ( 0.126 2.491 0.000) 2.494 11.312 ( -6.429 5.559 0.000) 8.499 16.963 ( 0.029 -0.483 0.000) 0.484 16.975 ( -0.045 -0.340 0.000) 0.343 16.980 ( 0.019 -0.363 0.000) 0.363 17.017 ( -2.697 -1.344 0.000) 3.013 18.223 ( -0.136 -0.328 0.000) 0.356 18.249 ( 2.144 1.266 0.000) 2.490 18.268 ( 0.211 -0.156 0.000) 0.263 18.309 ( 0.125 0.446 0.000) 0.463 30.789 ( -0.243 -0.734 0.000) 0.773 30.832 ( 0.073 0.171 0.000) 0.186 30.860 ( 0.017 0.402 0.000) 0.402 30.961 ( -0.032 0.870 0.000) 0.870 50.235 ( 0.854 -3.086 0.000) 3.202 50.343 ( -4.029 -4.040 0.000) 5.705 50.440 ( 4.287 -3.632 0.000) 5.619 51.281 ( -33.520 -12.512 0.000) 35.779 ======================= Grid point 2 (3/84) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.716 ( 22.925 -9.990 0.000) 25.007 0.927 ( 4.835 -22.583 0.000) 23.095 1.295 ( 6.863 -7.789 0.000) 10.381 1.438 ( 6.517 -29.989 0.000) 30.689 1.659 ( -11.494 -0.527 0.000) 11.506 1.917 ( 3.932 3.787 0.000) 5.459 2.102 ( -6.976 3.826 0.000) 7.956 2.118 ( -5.437 -3.147 0.000) 6.283 2.243 ( 1.121 4.076 0.000) 4.228 2.355 ( 6.009 0.991 0.000) 6.090 2.398 ( 3.845 -0.110 0.000) 3.847 2.531 ( -2.269 -3.983 0.000) 4.584 2.566 ( -0.862 -4.645 0.000) 4.725 2.695 ( 2.106 -2.353 0.000) 3.157 2.921 ( -5.937 0.541 0.000) 5.961 2.968 ( -0.805 -2.917 0.000) 3.026 3.024 ( 1.009 -6.335 0.000) 6.415 3.158 ( -1.563 5.584 0.000) 5.799 3.188 ( 2.127 -3.099 0.000) 3.758 3.300 ( 0.968 -5.276 0.000) 5.364 3.459 ( 3.489 -9.460 0.000) 10.083 3.795 ( -3.830 0.389 0.000) 3.850 3.797 ( 0.594 8.417 0.000) 8.438 4.003 ( -8.009 1.384 0.000) 8.127 4.004 ( 0.767 -6.544 0.000) 6.588 4.293 ( 3.750 -1.163 0.000) 3.926 4.756 ( 3.224 5.691 0.000) 6.541 4.832 ( -9.383 -4.714 0.000) 10.501 4.982 ( -4.005 5.641 0.000) 6.918 5.285 ( 9.900 14.891 0.000) 17.882 5.426 ( 3.338 -9.075 0.000) 9.669 5.434 ( 2.350 2.621 0.000) 3.521 5.694 ( -2.122 -0.986 0.000) 2.340 5.739 ( -2.191 5.938 0.000) 6.330 5.824 ( -1.859 -2.558 0.000) 3.162 5.941 ( 0.048 -1.836 0.000) 1.837 5.971 ( -1.883 -1.851 0.000) 2.640 5.979 ( -3.482 -9.133 0.000) 9.774 6.081 ( 1.066 1.439 0.000) 1.791 6.166 ( -0.314 -0.843 0.000) 0.899 6.430 ( 2.299 -1.904 0.000) 2.985 7.290 ( 8.526 10.889 0.000) 13.830 7.471 ( -23.440 -6.499 0.000) 24.325 7.838 ( 4.249 14.234 0.000) 14.855 8.781 ( 0.639 -28.719 0.000) 28.727 8.801 ( 26.991 8.740 0.000) 28.370 9.277 ( -3.573 5.878 0.000) 6.879 10.209 ( -4.765 -3.437 0.000) 5.875 11.105 ( -4.618 12.619 0.000) 13.437 11.105 ( 0.124 5.509 0.000) 5.511 16.974 ( 0.041 -0.661 0.000) 0.662 16.982 ( -0.081 -0.464 0.000) 0.471 16.989 ( 0.102 -0.588 0.000) 0.597 17.019 ( -1.157 -0.580 0.000) 1.294 18.229 ( -0.384 -0.499 0.000) 0.630 18.244 ( 0.979 0.795 0.000) 1.261 18.273 ( 0.134 -0.283 0.000) 0.313 18.300 ( 0.299 0.690 0.000) 0.752 30.804 ( -0.358 -1.320 0.000) 1.368 30.829 ( -0.057 0.020 0.000) 0.060 30.851 ( 0.082 0.668 0.000) 0.673 30.938 ( -0.138 1.594 0.000) 1.600 50.313 ( 1.916 -4.287 0.000) 4.696 50.392 ( -4.822 -5.382 0.000) 7.226 50.571 ( 5.695 -6.629 0.000) 8.739 51.204 ( -17.368 -2.220 0.000) 17.509 ======================= Grid point 3 (4/84) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( 18.674 -10.558 0.000) 21.452 1.310 ( 4.224 -16.841 0.000) 17.362 1.465 ( 6.847 -5.138 0.000) 8.560 1.564 ( -11.540 2.327 0.000) 11.772 1.829 ( -3.422 -10.546 0.000) 11.087 1.870 ( 4.388 4.667 0.000) 6.406 1.995 ( -6.587 1.262 0.000) 6.707 2.114 ( -1.546 6.268 0.000) 6.456 2.182 ( 2.849 -4.711 0.000) 5.506 2.370 ( 3.635 2.134 0.000) 4.215 2.500 ( 3.929 -5.038 0.000) 6.389 2.588 ( -2.194 -6.105 0.000) 6.487 2.614 ( -0.573 -0.914 0.000) 1.079 2.709 ( -5.955 -1.198 0.000) 6.074 2.893 ( -3.766 -2.438 0.000) 4.486 2.952 ( 3.110 2.710 0.000) 4.125 3.076 ( 1.143 1.374 0.000) 1.787 3.228 ( -1.424 -12.571 0.000) 12.651 3.243 ( 3.636 1.752 0.000) 4.036 3.393 ( 4.131 -2.993 0.000) 5.101 3.610 ( 2.731 -4.059 0.000) 4.892 3.660 ( -0.277 6.534 0.000) 6.539 3.745 ( -6.292 -0.027 0.000) 6.292 3.881 ( -4.334 6.492 0.000) 7.806 4.112 ( 2.209 -4.602 0.000) 5.104 4.281 ( -4.121 1.930 0.000) 4.550 4.742 ( 7.117 0.895 0.000) 7.173 4.837 ( -6.903 -2.779 0.000) 7.441 4.907 ( -5.496 -1.956 0.000) 5.834 5.105 ( 7.742 13.587 0.000) 15.639 5.452 ( 2.909 -2.150 0.000) 3.617 5.574 ( 2.892 -3.385 0.000) 4.452 5.649 ( -0.921 2.389 0.000) 2.561 5.661 ( -3.923 1.282 0.000) 4.128 5.864 ( -0.849 -3.728 0.000) 3.823 5.955 ( 1.732 1.393 0.000) 2.223 6.015 ( -3.180 -5.849 0.000) 6.658 6.044 ( -1.073 1.915 0.000) 2.195 6.082 ( 2.125 -2.052 0.000) 2.954 6.100 ( -3.047 4.944 0.000) 5.807 6.571 ( 5.646 -9.332 0.000) 10.907 7.079 ( -0.743 14.994 0.000) 15.013 7.474 ( -22.464 -13.235 0.000) 26.073 7.651 ( 11.174 13.941 0.000) 17.866 8.872 ( 24.274 6.409 0.000) 25.106 9.129 ( -9.413 4.869 0.000) 10.598 9.328 ( 0.568 -32.843 0.000) 32.848 10.181 ( -1.719 7.028 0.000) 7.235 10.869 ( -4.699 7.130 0.000) 8.539 10.986 ( 0.554 8.323 0.000) 8.341 16.984 ( 0.045 -0.468 0.000) 0.470 16.988 ( -0.090 -0.298 0.000) 0.311 17.001 ( 0.246 -0.576 0.000) 0.627 17.017 ( -0.645 -0.109 0.000) 0.654 18.233 ( -0.666 -0.494 0.000) 0.829 18.239 ( 0.773 0.595 0.000) 0.975 18.279 ( -0.095 -0.373 0.000) 0.385 18.291 ( 0.435 0.658 0.000) 0.788 30.823 ( -0.531 -0.856 0.000) 1.008 30.837 ( 0.193 -1.188 0.000) 1.203 30.840 ( 0.204 0.731 0.000) 0.759 30.905 ( -0.248 2.010 0.000) 2.025 50.397 ( 3.105 -2.759 0.000) 4.153 50.438 ( -4.681 -4.025 0.000) 6.173 50.745 ( 6.910 -7.373 0.000) 10.105 51.083 ( -11.836 2.768 0.000) 12.155 ======================= Grid point 4 (5/84) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( 14.622 -8.401 0.000) 16.864 1.362 ( -14.622 8.401 0.000) 16.864 1.525 ( -1.165 -4.416 0.000) 4.567 1.525 ( 1.165 4.416 0.000) 4.567 1.848 ( -4.676 -1.365 0.000) 4.871 1.848 ( 4.676 1.365 0.000) 4.871 1.995 ( -0.288 -4.642 0.000) 4.651 1.995 ( 0.288 4.642 0.000) 4.651 2.319 ( 2.042 -5.190 0.000) 5.577 2.319 ( -2.042 5.190 0.000) 5.577 2.576 ( 0.455 -3.414 0.000) 3.444 2.576 ( -0.455 3.414 0.000) 3.444 2.681 ( -4.836 0.554 0.000) 4.867 2.681 ( 4.836 -0.554 0.000) 4.867 2.925 ( -2.958 -3.539 0.000) 4.612 2.925 ( 2.958 3.539 0.000) 4.612 3.152 ( 0.265 -8.332 0.000) 8.337 3.152 ( -0.265 8.332 0.000) 8.337 3.399 ( -1.889 -7.005 0.000) 7.255 3.399 ( 1.889 7.005 0.000) 7.255 3.624 ( -3.427 0.486 0.000) 3.461 3.624 ( 3.427 -0.486 0.000) 3.461 3.753 ( 0.301 -4.756 0.000) 4.765 3.753 ( -0.301 4.756 0.000) 4.765 4.201 ( 4.860 -2.661 0.000) 5.541 4.201 ( -4.860 2.661 0.000) 5.541 4.802 ( -6.481 0.474 0.000) 6.499 4.802 ( 6.481 -0.474 0.000) 6.499 4.960 ( -5.843 -8.982 0.000) 10.715 4.960 ( 5.843 8.982 0.000) 10.715 5.539 ( 2.240 -4.710 0.000) 5.215 5.539 ( -2.240 4.710 0.000) 5.215 5.639 ( 0.492 -0.453 0.000) 0.669 5.639 ( -0.492 0.453 0.000) 0.669 5.936 ( -0.116 -3.525 0.000) 3.527 5.936 ( 0.116 3.525 0.000) 3.527 6.009 ( 0.139 -0.447 0.000) 0.469 6.009 ( -0.139 0.447 0.000) 0.469 6.089 ( -3.303 -3.793 0.000) 5.030 6.089 ( 3.303 3.793 0.000) 5.030 6.809 ( 5.155 -12.922 0.000) 13.912 6.809 ( -5.155 12.922 0.000) 13.912 7.539 ( -18.016 -13.047 0.000) 22.244 7.539 ( 18.016 13.047 0.000) 22.244 8.979 ( -17.047 -0.196 0.000) 17.048 8.979 ( 17.047 0.196 0.000) 17.048 9.865 ( 0.327 -27.182 0.000) 27.184 9.865 ( -0.327 27.182 0.000) 27.184 10.854 ( -2.523 -6.988 0.000) 7.429 10.854 ( 2.523 6.988 0.000) 7.429 16.990 ( 0.069 -0.075 0.000) 0.102 16.990 ( -0.069 0.075 0.000) 0.102 17.012 ( 0.408 -0.309 0.000) 0.512 17.012 ( -0.408 0.309 0.000) 0.512 18.236 ( -0.777 -0.482 0.000) 0.914 18.236 ( 0.777 0.482 0.000) 0.914 18.285 ( -0.351 -0.495 0.000) 0.607 18.285 ( 0.351 0.495 0.000) 0.607 30.830 ( -0.359 -0.620 0.000) 0.716 30.830 ( 0.359 0.620 0.000) 0.716 30.868 ( 0.247 -2.001 0.000) 2.016 30.868 ( -0.247 2.001 0.000) 2.016 50.445 ( -4.099 -0.690 0.000) 4.157 50.445 ( 4.099 0.690 0.000) 4.157 50.924 ( 8.815 -5.919 0.000) 10.618 50.924 ( -8.815 5.919 0.000) 10.618 ======================= Grid point 10 (6/84) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.202 ( 12.900 -0.000 0.000) 12.900 0.245 ( 15.172 -0.000 0.000) 15.172 0.698 ( 42.856 -0.000 0.000) 42.856 1.157 ( 9.974 -0.000 0.000) 9.974 1.633 ( -15.866 0.000 0.000) 15.866 1.937 ( -2.914 0.000 0.000) 2.914 1.983 ( -9.482 0.000 0.000) 9.482 2.270 ( 5.793 -0.000 0.000) 5.793 2.279 ( 4.272 -0.000 0.000) 4.272 2.368 ( 5.874 -0.000 0.000) 5.874 2.393 ( 4.148 -0.000 0.000) 4.148 2.406 ( -0.825 0.000 0.000) 0.825 2.533 ( -2.988 0.000 0.000) 2.988 2.668 ( 6.175 -0.000 0.000) 6.175 2.742 ( -0.013 0.000 0.000) 0.013 2.945 ( -6.881 0.000 0.000) 6.881 3.028 ( 1.413 -0.000 0.000) 1.413 3.114 ( -2.315 0.000 0.000) 2.315 3.163 ( -0.253 0.000 0.000) 0.253 3.191 ( -1.067 0.000 0.000) 1.067 3.377 ( -3.955 0.000 0.000) 3.955 3.688 ( 4.031 -0.000 0.000) 4.031 3.937 ( -8.591 0.000 0.000) 8.591 3.984 ( 1.727 -0.000 0.000) 1.727 4.088 ( -8.171 0.000 0.000) 8.171 4.282 ( 8.247 -0.000 0.000) 8.247 4.451 ( -2.906 0.000 0.000) 2.906 4.913 ( -0.071 0.000 0.000) 0.071 5.188 ( 2.335 -0.000 0.000) 2.335 5.215 ( 0.248 -0.000 0.000) 0.248 5.426 ( -7.586 0.000 0.000) 7.586 5.582 ( 1.987 -0.000 0.000) 1.987 5.625 ( -0.621 0.000 0.000) 0.621 5.640 ( 2.289 -0.000 0.000) 2.289 5.748 ( 2.427 -0.000 0.000) 2.427 5.868 ( -8.572 0.000 0.000) 8.572 5.941 ( 2.978 -0.000 0.000) 2.978 5.992 ( -2.030 0.000 0.000) 2.030 6.035 ( 2.245 -0.000 0.000) 2.245 6.108 ( 5.428 -0.000 0.000) 5.428 6.440 ( -2.577 0.000 0.000) 2.577 7.251 ( -13.514 0.000 0.000) 13.514 8.119 ( -0.056 0.000 0.000) 0.056 8.230 ( 0.844 -0.000 0.000) 0.844 8.294 ( 0.106 -0.000 0.000) 0.106 8.792 ( 8.805 -0.000 0.000) 8.805 9.409 ( -0.081 0.000 0.000) 0.081 10.278 ( -1.929 0.000 0.000) 1.929 11.195 ( 0.319 -0.000 0.000) 0.319 11.218 ( -0.291 0.000 0.000) 0.291 16.950 ( 0.168 -0.000 0.000) 0.168 16.959 ( 0.060 -0.000 0.000) 0.060 16.972 ( -0.055 0.000 0.000) 0.055 16.977 ( 0.010 -0.000 0.000) 0.010 18.219 ( -0.178 0.000 0.000) 0.178 18.266 ( -0.002 0.000 0.000) 0.002 18.309 ( 0.031 -0.000 0.000) 0.031 18.314 ( 0.180 -0.000 0.000) 0.180 30.785 ( 0.250 -0.000 0.000) 0.250 30.835 ( -0.251 0.000 0.000) 0.251 30.864 ( 0.008 -0.000 0.000) 0.008 30.968 ( -0.016 0.000 0.000) 0.016 50.216 ( 1.562 -0.000 0.000) 1.562 50.276 ( -3.963 0.000 0.000) 3.963 50.441 ( 4.324 -0.000 0.000) 4.324 50.516 ( -1.524 0.000 0.000) 1.524 ======================= Grid point 11 (7/84) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.595 ( 9.797 -21.047 0.000) 23.215 0.642 ( 10.202 -21.502 0.000) 23.800 1.122 ( 32.331 -13.486 0.000) 35.031 1.287 ( 12.099 -4.107 0.000) 12.777 1.522 ( -15.452 -1.962 0.000) 15.576 1.902 ( -7.964 -1.164 0.000) 8.049 1.979 ( -8.278 -6.164 0.000) 10.321 2.226 ( 5.198 8.122 0.000) 9.643 2.295 ( 1.855 1.086 0.000) 2.149 2.400 ( 3.676 -0.285 0.000) 3.687 2.458 ( 4.837 -0.929 0.000) 4.925 2.469 ( -2.416 1.919 0.000) 3.085 2.487 ( 1.950 -4.499 0.000) 4.903 2.716 ( 5.711 0.526 0.000) 5.735 2.811 ( -0.790 -7.453 0.000) 7.495 2.874 ( -8.279 0.932 0.000) 8.331 3.040 ( 1.929 0.454 0.000) 1.981 3.131 ( -0.281 -4.142 0.000) 4.152 3.194 ( -3.251 0.487 0.000) 3.287 3.206 ( -0.213 -4.962 0.000) 4.967 3.351 ( -0.053 -3.851 0.000) 3.851 3.760 ( -0.403 -1.594 0.000) 1.644 3.890 ( -7.449 -0.735 0.000) 7.485 3.934 ( -2.596 0.505 0.000) 2.645 3.950 ( 0.033 4.231 0.000) 4.232 4.343 ( 6.547 0.542 0.000) 6.570 4.608 ( -11.985 -11.593 0.000) 16.674 4.865 ( 1.107 4.593 0.000) 4.725 5.090 ( -2.580 9.177 0.000) 9.532 5.313 ( 4.578 -7.361 0.000) 8.669 5.520 ( 1.727 5.823 0.000) 6.074 5.561 ( -3.628 -8.893 0.000) 9.605 5.604 ( -1.024 -0.753 0.000) 1.271 5.650 ( -1.233 -2.365 0.000) 2.667 5.779 ( -0.729 -0.076 0.000) 0.733 5.841 ( -7.258 -4.301 0.000) 8.437 5.902 ( -0.291 4.181 0.000) 4.191 5.972 ( 3.471 -0.460 0.000) 3.501 6.092 ( 1.514 -1.638 0.000) 2.231 6.156 ( 2.683 -0.774 0.000) 2.793 6.418 ( -1.808 -0.458 0.000) 1.865 7.162 ( -17.553 -3.890 0.000) 17.979 7.816 ( 12.537 32.697 0.000) 35.018 8.053 ( 1.845 7.395 0.000) 7.622 8.387 ( 1.006 -16.797 0.000) 16.827 9.072 ( 17.521 -5.941 0.000) 18.501 9.360 ( -1.467 5.321 0.000) 5.520 10.141 ( -3.799 5.166 0.000) 6.412 11.176 ( 0.307 2.622 0.000) 2.639 11.213 ( -4.561 3.632 0.000) 5.830 16.964 ( 0.071 -0.474 0.000) 0.479 16.973 ( -0.261 -0.511 0.000) 0.574 16.981 ( 0.045 -0.406 0.000) 0.409 16.983 ( -1.115 -2.078 0.000) 2.358 18.220 ( -0.272 -0.233 0.000) 0.358 18.264 ( 0.067 0.281 0.000) 0.289 18.285 ( 1.230 1.595 0.000) 2.015 18.312 ( 0.243 0.391 0.000) 0.461 30.788 ( 0.209 -0.313 0.000) 0.376 30.830 ( -0.238 0.184 0.000) 0.301 30.860 ( 0.028 0.368 0.000) 0.369 30.960 ( -0.062 0.934 0.000) 0.936 50.261 ( 2.462 -3.288 0.000) 4.108 50.277 ( -3.829 -3.550 0.000) 5.222 50.513 ( 4.455 -4.339 0.000) 6.219 50.813 ( -19.906 -22.505 0.000) 30.046 ======================= Grid point 12 (8/84) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( 14.237 -11.892 0.000) 18.550 1.033 ( 8.089 -20.584 0.000) 22.116 1.449 ( -14.130 -2.591 0.000) 14.366 1.455 ( 12.121 -4.652 0.000) 12.983 1.591 ( 9.535 -16.009 0.000) 18.634 1.850 ( -10.253 -1.226 0.000) 10.326 2.051 ( -0.715 -6.660 0.000) 6.698 2.126 ( 8.149 9.033 0.000) 12.166 2.246 ( -0.673 4.170 0.000) 4.224 2.424 ( 2.126 0.614 0.000) 2.213 2.456 ( 2.696 -2.138 0.000) 3.441 2.511 ( 0.709 -1.691 0.000) 1.833 2.558 ( 0.416 -3.041 0.000) 3.070 2.709 ( -1.226 3.326 0.000) 3.545 2.810 ( -6.810 -1.929 0.000) 7.078 2.962 ( 0.223 -8.761 0.000) 8.764 3.049 ( 1.958 -0.836 0.000) 2.129 3.132 ( -1.421 2.359 0.000) 2.754 3.249 ( 5.199 -5.276 0.000) 7.407 3.317 ( 1.458 -7.562 0.000) 7.701 3.498 ( 0.576 -9.475 0.000) 9.492 3.695 ( -9.315 1.818 0.000) 9.491 3.792 ( -1.833 7.940 0.000) 8.149 3.877 ( -7.054 1.037 0.000) 7.130 4.030 ( 3.795 -7.354 0.000) 8.276 4.338 ( 1.844 4.373 0.000) 4.746 4.675 ( -10.312 -7.581 0.000) 12.799 4.818 ( 4.040 2.565 0.000) 4.785 4.907 ( -4.901 6.858 0.000) 8.429 5.399 ( 4.379 11.634 0.000) 12.431 5.493 ( 4.821 -8.173 0.000) 9.489 5.495 ( 4.589 4.937 0.000) 6.740 5.653 ( -2.732 0.388 0.000) 2.759 5.699 ( -2.630 4.479 0.000) 5.194 5.775 ( -3.550 -8.203 0.000) 8.938 5.890 ( -4.103 -6.149 0.000) 7.393 5.933 ( -2.624 -7.992 0.000) 8.411 5.996 ( 2.592 1.014 0.000) 2.783 6.109 ( 2.551 0.903 0.000) 2.706 6.137 ( -2.906 2.815 0.000) 4.046 6.474 ( 2.747 -6.015 0.000) 6.612 7.098 ( -20.935 -5.695 0.000) 21.696 7.444 ( 8.677 21.174 0.000) 22.883 7.935 ( 7.513 9.530 0.000) 12.135 8.794 ( 0.890 -28.518 0.000) 28.532 9.200 ( -5.833 9.763 0.000) 11.373 9.216 ( 23.451 8.101 0.000) 24.811 10.107 ( -7.736 -6.435 0.000) 10.062 11.030 ( -4.217 12.429 0.000) 13.124 11.108 ( 0.184 5.507 0.000) 5.510 16.975 ( 0.061 -0.646 0.000) 0.649 16.980 ( -0.151 -0.500 0.000) 0.522 16.991 ( 0.143 -0.683 0.000) 0.698 17.001 ( -0.839 -1.066 0.000) 1.356 18.222 ( -0.431 -0.309 0.000) 0.531 18.257 ( 0.537 0.700 0.000) 0.882 18.278 ( 0.431 0.292 0.000) 0.521 18.306 ( 0.310 0.593 0.000) 0.669 30.801 ( -0.032 -1.000 0.000) 1.000 30.828 ( -0.181 -0.156 0.000) 0.239 30.852 ( 0.088 0.589 0.000) 0.595 30.936 ( -0.160 1.689 0.000) 1.697 50.325 ( -3.490 -4.964 0.000) 6.068 50.358 ( 3.799 -4.634 0.000) 5.993 50.656 ( 4.741 -7.733 0.000) 9.070 50.920 ( -16.435 -8.594 0.000) 18.547 ======================= Grid point 13 (9/84) ======================= q-point: ( 0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( 12.085 -9.589 0.000) 15.427 1.333 ( -12.665 0.721 0.000) 12.686 1.408 ( 4.423 -11.150 0.000) 11.995 1.598 ( 8.998 -0.372 0.000) 9.006 1.754 ( -6.316 -4.624 0.000) 7.828 1.799 ( -8.886 -3.096 0.000) 9.410 2.062 ( 10.146 6.473 0.000) 12.035 2.065 ( -4.678 2.919 0.000) 5.514 2.291 ( 9.746 -2.432 0.000) 10.044 2.395 ( -0.429 4.029 0.000) 4.052 2.522 ( 0.963 -3.158 0.000) 3.301 2.594 ( -7.123 -1.016 0.000) 7.195 2.616 ( 4.289 -9.172 0.000) 10.125 2.634 ( 2.283 0.686 0.000) 2.384 2.824 ( -4.570 -4.153 0.000) 6.176 3.001 ( 2.820 3.057 0.000) 4.159 3.099 ( 1.792 -0.898 0.000) 2.005 3.215 ( -0.077 -11.832 0.000) 11.832 3.315 ( 4.982 4.113 0.000) 6.461 3.456 ( 3.316 -2.274 0.000) 4.021 3.581 ( -9.595 0.342 0.000) 9.602 3.637 ( -3.552 -6.554 0.000) 7.455 3.648 ( -1.236 3.446 0.000) 3.661 3.783 ( -7.118 2.826 0.000) 7.659 4.191 ( 7.862 -5.232 0.000) 9.444 4.245 ( -0.799 5.552 0.000) 5.609 4.703 ( -9.764 -4.366 0.000) 10.695 4.784 ( -4.239 0.305 0.000) 4.250 4.872 ( 3.666 -2.161 0.000) 4.255 5.214 ( 5.458 13.379 0.000) 14.450 5.495 ( 1.926 -1.432 0.000) 2.400 5.594 ( -2.932 3.576 0.000) 4.624 5.629 ( 2.675 -2.998 0.000) 4.018 5.639 ( -0.014 0.578 0.000) 0.578 5.855 ( 0.079 -4.694 0.000) 4.695 5.950 ( -2.303 -1.854 0.000) 2.957 6.001 ( -3.741 -1.075 0.000) 3.892 6.003 ( 1.244 -2.383 0.000) 2.689 6.048 ( -2.960 3.881 0.000) 4.881 6.152 ( 6.067 -1.553 0.000) 6.262 6.644 ( 3.436 -10.184 0.000) 10.748 6.953 ( -15.172 6.879 0.000) 16.658 7.270 ( -2.649 0.634 0.000) 2.724 7.871 ( 15.543 8.345 0.000) 17.641 8.946 ( -13.006 10.442 0.000) 16.679 9.207 ( 17.118 9.872 0.000) 19.761 9.337 ( 0.551 -32.559 0.000) 32.564 10.149 ( -2.240 2.549 0.000) 3.393 10.794 ( -4.180 6.771 0.000) 7.958 10.996 ( 0.601 7.395 0.000) 7.419 16.985 ( 0.056 -0.471 0.000) 0.474 16.987 ( -0.097 -0.334 0.000) 0.348 17.005 ( 0.243 -0.694 0.000) 0.735 17.008 ( -0.497 -0.332 0.000) 0.598 18.223 ( -0.525 -0.325 0.000) 0.617 18.251 ( 0.780 0.551 0.000) 0.955 18.277 ( -0.196 -0.058 0.000) 0.204 18.297 ( 0.292 0.622 0.000) 0.687 30.815 ( -0.362 -0.746 0.000) 0.829 30.840 ( 0.191 -1.380 0.000) 1.393 30.843 ( 0.159 0.612 0.000) 0.632 30.902 ( -0.181 2.043 0.000) 2.051 50.378 ( -2.889 -3.717 0.000) 4.708 50.463 ( 5.245 -2.883 0.000) 5.985 50.844 ( 5.203 -9.169 0.000) 10.543 50.885 ( -12.248 -1.144 0.000) 12.301 ======================= Grid point 14 (10/84) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( -15.437 10.114 0.000) 18.455 1.509 ( -0.695 2.792 0.000) 2.877 1.532 ( 3.879 1.061 0.000) 4.021 1.543 ( 4.039 2.246 0.000) 4.621 1.768 ( -4.749 -2.688 0.000) 5.457 1.883 ( 0.065 -9.523 0.000) 9.523 2.035 ( 3.314 -1.562 0.000) 3.664 2.063 ( 7.926 2.548 0.000) 8.326 2.276 ( -3.494 7.321 0.000) 8.112 2.332 ( -0.405 0.930 0.000) 1.015 2.528 ( -4.654 1.757 0.000) 4.975 2.605 ( 3.725 -2.922 0.000) 4.734 2.679 ( 3.503 0.044 0.000) 3.504 2.775 ( 5.581 -2.516 0.000) 6.122 2.865 ( -4.212 -4.318 0.000) 6.032 2.951 ( 0.340 3.477 0.000) 3.493 3.154 ( 0.339 12.612 0.000) 12.617 3.173 ( 2.847 -4.295 0.000) 5.153 3.349 ( -4.972 -3.278 0.000) 5.956 3.432 ( 2.859 6.999 0.000) 7.561 3.559 ( -3.227 -5.910 0.000) 6.733 3.605 ( -5.624 1.453 0.000) 5.809 3.736 ( -2.089 -8.747 0.000) 8.993 3.764 ( 2.000 -2.844 0.000) 3.477 4.162 ( -0.664 3.422 0.000) 3.485 4.321 ( 9.713 -1.548 0.000) 9.836 4.663 ( -10.111 -0.820 0.000) 10.144 4.805 ( -4.492 -6.739 0.000) 8.099 4.947 ( 3.200 -2.360 0.000) 3.976 5.051 ( 4.431 9.505 0.000) 10.487 5.496 ( -2.483 4.702 0.000) 5.317 5.553 ( -0.219 -3.091 0.000) 3.099 5.644 ( 0.646 1.095 0.000) 1.271 5.665 ( 2.147 -1.749 0.000) 2.769 5.928 ( -0.923 3.046 0.000) 3.183 5.929 ( -0.585 -1.167 0.000) 1.306 6.004 ( -0.173 -1.339 0.000) 1.350 6.006 ( -0.249 -5.450 0.000) 5.456 6.065 ( -0.258 -2.860 0.000) 2.871 6.169 ( 6.148 6.187 0.000) 8.722 6.693 ( -8.675 10.375 0.000) 13.524 6.861 ( 1.784 -12.101 0.000) 12.232 7.332 ( -7.808 -11.612 0.000) 13.993 7.880 ( 23.765 9.772 0.000) 25.695 8.663 ( -22.178 5.035 0.000) 22.742 9.192 ( 9.320 3.596 0.000) 9.990 9.860 ( -0.244 27.240 0.000) 27.241 9.870 ( 0.224 -27.120 0.000) 27.121 10.818 ( -1.717 -9.294 0.000) 9.451 10.891 ( 1.867 4.637 0.000) 4.999 16.989 ( -0.039 0.051 0.000) 0.065 16.991 ( 0.055 -0.091 0.000) 0.107 17.006 ( -0.276 0.193 0.000) 0.337 17.018 ( 0.308 -0.472 0.000) 0.564 18.225 ( -0.475 -0.381 0.000) 0.609 18.249 ( 0.802 0.580 0.000) 0.990 18.278 ( -0.510 -0.432 0.000) 0.668 18.289 ( 0.163 0.580 0.000) 0.602 30.825 ( -0.259 -0.742 0.000) 0.786 30.835 ( 0.192 0.459 0.000) 0.497 30.866 ( -0.061 1.977 0.000) 1.978 30.872 ( 0.225 -2.004 0.000) 2.016 50.396 ( -2.050 -0.560 0.000) 2.125 50.527 ( 6.113 1.021 0.000) 6.197 50.778 ( -9.184 3.363 0.000) 9.780 51.044 ( 5.685 -8.778 0.000) 10.458 ======================= Grid point 15 (11/84) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( -12.882 13.985 0.000) 19.014 1.264 ( -1.512 18.922 0.000) 18.982 1.392 ( -2.246 7.700 0.000) 8.021 1.691 ( 4.233 -4.699 0.000) 6.324 1.794 ( -3.021 -4.195 0.000) 5.170 1.875 ( 2.029 18.922 0.000) 19.031 2.123 ( 0.047 -8.037 0.000) 8.037 2.133 ( 7.974 -3.151 0.000) 8.574 2.175 ( 0.627 1.063 0.000) 1.234 2.290 ( -5.672 0.580 0.000) 5.701 2.434 ( -2.898 5.746 0.000) 6.435 2.635 ( 2.258 6.310 0.000) 6.702 2.636 ( 1.408 2.023 0.000) 2.465 2.769 ( 1.508 5.727 0.000) 5.922 2.912 ( -1.590 -4.356 0.000) 4.637 2.938 ( 1.672 -1.239 0.000) 2.081 3.063 ( -0.460 -2.483 0.000) 2.526 3.210 ( -0.696 1.309 0.000) 1.483 3.255 ( 1.443 13.695 0.000) 13.770 3.338 ( -2.276 -0.219 0.000) 2.287 3.552 ( -3.052 2.816 0.000) 4.153 3.660 ( -0.170 -6.651 0.000) 6.653 3.809 ( 1.903 -0.469 0.000) 1.960 3.918 ( 0.760 -11.325 0.000) 11.351 4.098 ( -0.154 4.349 0.000) 4.352 4.365 ( 4.937 4.995 0.000) 7.023 4.629 ( -5.705 -4.801 0.000) 7.457 4.919 ( 3.323 -4.764 0.000) 5.808 4.976 ( 2.467 2.098 0.000) 3.238 4.997 ( -4.773 -6.036 0.000) 7.695 5.417 ( -1.226 2.101 0.000) 2.432 5.538 ( -1.269 4.760 0.000) 4.926 5.661 ( 0.483 -3.276 0.000) 3.312 5.711 ( 1.860 -1.037 0.000) 2.130 5.873 ( 0.232 2.591 0.000) 2.601 5.928 ( -1.097 -0.780 0.000) 1.346 6.040 ( -0.303 -2.226 0.000) 2.246 6.070 ( 2.682 7.081 0.000) 7.571 6.079 ( 0.345 1.377 0.000) 1.420 6.135 ( 1.224 -5.968 0.000) 6.093 6.485 ( -3.911 7.579 0.000) 8.528 7.068 ( -0.814 -10.829 0.000) 10.859 7.531 ( -3.752 -16.359 0.000) 16.784 7.869 ( 23.216 14.690 0.000) 27.473 8.471 ( -23.161 -5.563 0.000) 23.819 9.233 ( 3.386 -2.155 0.000) 4.014 9.321 ( -0.243 33.045 0.000) 33.046 10.201 ( 0.625 -9.521 0.000) 9.542 10.927 ( 2.139 -8.115 0.000) 8.392 10.980 ( -0.216 -8.945 0.000) 8.948 16.984 ( -0.014 0.470 0.000) 0.471 16.989 ( 0.036 0.285 0.000) 0.287 16.998 ( -0.105 0.495 0.000) 0.506 17.026 ( 0.324 -0.208 0.000) 0.384 18.229 ( -0.345 -0.420 0.000) 0.544 18.242 ( 0.371 0.694 0.000) 0.786 18.280 ( 0.028 0.506 0.000) 0.507 18.285 ( -0.275 -0.764 0.000) 0.812 30.830 ( 0.273 0.460 0.000) 0.535 30.834 ( -0.069 1.430 0.000) 1.432 30.837 ( -0.092 -0.817 0.000) 0.822 30.908 ( 0.117 -1.971 0.000) 1.974 50.364 ( -1.031 2.699 0.000) 2.889 50.525 ( 6.180 4.647 0.000) 7.732 50.632 ( -7.080 5.774 0.000) 9.136 51.229 ( 5.329 -7.365 0.000) 9.091 ======================= Grid point 16 (12/84) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.459 ( 0.000 15.008 0.000) 15.008 0.888 ( 0.000 23.516 0.000) 23.516 1.243 ( 0.000 7.941 0.000) 7.941 1.392 ( 0.000 34.860 0.000) 34.860 1.792 ( -0.000 -3.840 0.000) 3.840 1.834 ( -0.000 -2.518 0.000) 2.518 2.172 ( 0.000 1.194 0.000) 1.194 2.227 ( 0.000 0.642 0.000) 0.642 2.227 ( -0.000 -1.760 0.000) 1.760 2.252 ( -0.000 -3.359 0.000) 3.359 2.361 ( -0.000 -1.326 0.000) 1.326 2.553 ( 0.000 4.334 0.000) 4.334 2.573 ( 0.000 5.303 0.000) 5.303 2.672 ( 0.000 4.644 0.000) 4.644 2.972 ( -0.000 -1.266 0.000) 1.266 2.977 ( -0.000 -3.309 0.000) 3.309 3.018 ( 0.000 12.452 0.000) 12.452 3.173 ( -0.000 -7.730 0.000) 7.730 3.174 ( 0.000 1.880 0.000) 1.880 3.291 ( 0.000 4.560 0.000) 4.560 3.423 ( 0.000 9.883 0.000) 9.883 3.789 ( -0.000 -8.116 0.000) 8.116 3.827 ( -0.000 -0.763 0.000) 0.763 3.992 ( 0.000 7.943 0.000) 7.943 4.088 ( -0.000 -6.998 0.000) 6.998 4.245 ( 0.000 8.836 0.000) 8.836 4.728 ( -0.000 -7.644 0.000) 7.644 4.938 ( 0.000 2.159 0.000) 2.159 5.017 ( -0.000 -5.269 0.000) 5.269 5.163 ( -0.000 -13.702 0.000) 13.702 5.397 ( 0.000 9.561 0.000) 9.561 5.417 ( -0.000 -2.716 0.000) 2.716 5.713 ( 0.000 1.694 0.000) 1.694 5.759 ( -0.000 -7.248 0.000) 7.248 5.835 ( 0.000 2.395 0.000) 2.395 5.927 ( 0.000 0.527 0.000) 0.527 6.006 ( 0.000 1.852 0.000) 1.852 6.021 ( 0.000 5.715 0.000) 5.715 6.069 ( -0.000 -1.182 0.000) 1.182 6.159 ( 0.000 4.157 0.000) 4.157 6.411 ( -0.000 -1.007 0.000) 1.007 7.208 ( -0.000 -6.170 0.000) 6.170 7.727 ( 0.000 11.688 0.000) 11.688 7.804 ( -0.000 -15.894 0.000) 15.894 8.512 ( -0.000 -9.236 0.000) 9.236 8.776 ( 0.000 28.802 0.000) 28.802 9.307 ( -0.000 -4.495 0.000) 4.495 10.249 ( 0.000 1.840 0.000) 1.840 11.104 ( -0.000 -5.506 0.000) 5.506 11.148 ( -0.000 -13.600 0.000) 13.600 16.973 ( 0.000 0.669 0.000) 0.669 16.982 ( 0.000 0.459 0.000) 0.459 16.988 ( 0.000 0.547 0.000) 0.547 17.030 ( -0.000 -0.059 0.000) 0.059 18.232 ( 0.000 0.600 0.000) 0.600 18.234 ( -0.000 -0.335 0.000) 0.335 18.273 ( 0.000 0.382 0.000) 0.382 18.298 ( -0.000 -0.752 0.000) 0.752 30.808 ( 0.000 1.319 0.000) 1.319 30.830 ( -0.000 -0.032 0.000) 0.032 30.850 ( -0.000 -0.703 0.000) 0.703 30.940 ( -0.000 -1.552 0.000) 1.552 50.297 ( 0.000 4.191 0.000) 4.191 50.465 ( 0.000 6.768 0.000) 6.768 50.491 ( 0.000 4.965 0.000) 4.965 51.369 ( -0.000 -5.561 0.000) 5.561 ======================= Grid point 19 (13/84) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.406 ( 12.293 -0.000 0.000) 12.293 0.479 ( 14.030 -0.000 0.000) 14.030 1.348 ( 38.012 -0.000 0.000) 38.012 1.360 ( 14.406 -0.000 0.000) 14.406 1.374 ( -16.024 0.000 0.000) 16.024 1.812 ( -10.794 0.000 0.000) 10.794 1.836 ( -8.245 0.000 0.000) 8.245 2.299 ( -3.658 0.000 0.000) 3.658 2.360 ( 4.216 -0.000 0.000) 4.216 2.398 ( -0.066 0.000 0.000) 0.066 2.483 ( 8.435 -0.000 0.000) 8.435 2.484 ( 6.958 -0.000 0.000) 6.958 2.498 ( -0.160 0.000 0.000) 0.160 2.741 ( -0.015 0.000 0.000) 0.015 2.759 ( -0.495 0.000 0.000) 0.495 2.846 ( 0.496 -0.000 0.000) 0.496 3.055 ( 1.842 -0.000 0.000) 1.842 3.064 ( -3.826 0.000 0.000) 3.826 3.154 ( -0.792 0.000 0.000) 0.792 3.175 ( -0.687 0.000 0.000) 0.687 3.289 ( -6.657 0.000 0.000) 6.657 3.777 ( 6.823 -0.000 0.000) 6.823 3.814 ( -6.439 0.000 0.000) 6.439 3.903 ( -14.466 0.000 0.000) 14.466 4.005 ( 0.482 -0.000 0.000) 0.482 4.381 ( -5.723 0.000 0.000) 5.723 4.400 ( 6.144 -0.000 0.000) 6.144 4.913 ( 0.214 -0.000 0.000) 0.214 5.218 ( -0.057 0.000 0.000) 0.057 5.243 ( 4.556 -0.000 0.000) 4.556 5.314 ( -6.112 0.000 0.000) 6.112 5.611 ( -1.179 0.000 0.000) 1.179 5.627 ( 3.624 -0.000 0.000) 3.624 5.637 ( -1.524 0.000 0.000) 1.524 5.729 ( -8.637 0.000 0.000) 8.637 5.808 ( 4.055 -0.000 0.000) 4.055 5.946 ( -3.705 0.000 0.000) 3.705 5.999 ( 3.905 -0.000 0.000) 3.905 6.077 ( 2.770 -0.000 0.000) 2.770 6.178 ( 3.374 -0.000 0.000) 3.374 6.386 ( -3.963 0.000 0.000) 3.963 6.997 ( -16.591 0.000 0.000) 16.591 8.122 ( 0.548 -0.000 0.000) 0.548 8.247 ( 1.172 -0.000 0.000) 1.172 8.296 ( 0.158 -0.000 0.000) 0.158 8.951 ( 10.003 -0.000 0.000) 10.003 9.407 ( -0.258 0.000 0.000) 0.258 10.237 ( -2.972 0.000 0.000) 2.972 11.202 ( 0.454 -0.000 0.000) 0.454 11.212 ( -0.405 0.000 0.000) 0.405 16.953 ( 0.286 -0.000 0.000) 0.286 16.960 ( 0.086 -0.000 0.000) 0.086 16.970 ( -0.127 0.000 0.000) 0.127 16.977 ( 0.013 -0.000 0.000) 0.013 18.216 ( -0.190 0.000 0.000) 0.190 18.266 ( -0.003 0.000 0.000) 0.003 18.309 ( 0.044 -0.000 0.000) 0.044 18.317 ( 0.190 -0.000 0.000) 0.190 30.791 ( 0.455 -0.000 0.000) 0.455 30.830 ( -0.457 0.000 0.000) 0.457 30.864 ( -0.005 0.000 0.000) 0.005 30.968 ( -0.004 0.000 0.000) 0.004 50.218 ( -3.119 0.000 0.000) 3.119 50.252 ( 2.866 -0.000 0.000) 2.866 50.481 ( -2.811 0.000 0.000) 2.811 50.506 ( 3.631 -0.000 0.000) 3.631 ======================= Grid point 20 (14/84) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( 10.738 -17.683 0.000) 20.688 0.789 ( 8.731 -23.674 0.000) 25.233 1.281 ( -14.001 -3.123 0.000) 14.345 1.494 ( 12.385 -2.400 0.000) 12.615 1.575 ( 18.339 1.210 0.000) 18.379 1.737 ( -11.188 -1.393 0.000) 11.274 1.919 ( 5.446 -10.273 0.000) 11.627 2.249 ( -6.886 -0.022 0.000) 6.886 2.325 ( 6.219 5.755 0.000) 8.474 2.420 ( -0.263 -1.039 0.000) 1.071 2.473 ( 2.362 1.738 0.000) 2.933 2.540 ( 5.173 1.133 0.000) 5.295 2.557 ( 6.026 -0.467 0.000) 6.044 2.727 ( -7.257 -0.998 0.000) 7.326 2.791 ( 0.706 6.897 0.000) 6.933 2.804 ( -0.122 -7.112 0.000) 7.113 3.073 ( 1.949 -0.080 0.000) 1.951 3.146 ( -2.797 1.603 0.000) 3.224 3.152 ( 3.104 -9.610 0.000) 10.099 3.198 ( -0.823 -5.454 0.000) 5.516 3.327 ( -2.510 -8.760 0.000) 9.112 3.678 ( -11.087 5.976 0.000) 12.595 3.782 ( -5.321 -1.124 0.000) 5.439 3.936 ( 5.083 -7.399 0.000) 8.976 3.948 ( -0.911 6.269 0.000) 6.335 4.423 ( 3.515 2.557 0.000) 4.347 4.434 ( -10.339 -9.280 0.000) 13.893 4.886 ( 1.404 2.698 0.000) 3.042 5.052 ( -2.191 12.134 0.000) 12.330 5.395 ( 5.708 -7.862 0.000) 9.716 5.446 ( -5.783 -17.964 0.000) 18.872 5.552 ( 1.839 5.951 0.000) 6.229 5.629 ( -1.296 -1.292 0.000) 1.830 5.642 ( 1.612 4.303 0.000) 4.595 5.726 ( -7.083 -7.128 0.000) 10.049 5.774 ( -0.314 6.141 0.000) 6.149 5.890 ( -0.931 1.258 0.000) 1.565 6.029 ( 3.276 0.152 0.000) 3.280 6.122 ( 2.011 -1.477 0.000) 2.495 6.172 ( -0.455 2.944 0.000) 2.979 6.395 ( -0.941 -4.278 0.000) 4.380 6.892 ( -14.826 -2.257 0.000) 14.996 7.959 ( 5.966 28.125 0.000) 28.751 8.090 ( 2.582 4.131 0.000) 4.871 8.404 ( 0.993 -16.669 0.000) 16.699 9.288 ( 10.159 -18.247 0.000) 20.885 9.334 ( -1.672 7.900 0.000) 8.075 10.081 ( -3.594 11.045 0.000) 11.615 11.165 ( -1.883 5.770 0.000) 6.070 11.181 ( 0.309 2.807 0.000) 2.824 16.965 ( 0.072 -0.460 0.000) 0.466 16.968 ( -0.186 -0.864 0.000) 0.884 16.975 ( -0.185 -0.941 0.000) 0.959 16.982 ( 0.045 -0.469 0.000) 0.471 18.216 ( -0.209 -0.114 0.000) 0.238 18.264 ( -0.016 0.139 0.000) 0.140 18.298 ( 0.484 1.090 0.000) 1.193 18.316 ( 0.178 0.330 0.000) 0.375 30.794 ( 0.508 -0.060 0.000) 0.512 30.825 ( -0.460 0.068 0.000) 0.465 30.861 ( 0.007 0.325 0.000) 0.325 30.959 ( -0.038 1.016 0.000) 1.017 50.226 ( -2.511 -3.356 0.000) 4.191 50.312 ( 3.839 -3.828 0.000) 5.422 50.575 ( 3.139 -4.846 0.000) 5.774 50.595 ( -9.527 -13.058 0.000) 16.164 ======================= Grid point 21 (15/84) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( 6.653 -17.326 0.000) 18.560 1.206 ( 10.288 -15.068 0.000) 18.245 1.245 ( -8.912 -4.509 0.000) 9.988 1.602 ( -3.221 -4.597 0.000) 5.613 1.672 ( 11.037 -1.014 0.000) 11.084 1.678 ( -10.202 -1.634 0.000) 10.332 2.036 ( -6.591 0.492 0.000) 6.609 2.278 ( 9.990 7.277 0.000) 12.360 2.332 ( 13.476 -7.209 0.000) 15.283 2.426 ( -0.934 0.007 0.000) 0.934 2.490 ( 1.914 -1.634 0.000) 2.516 2.540 ( 1.825 -0.226 0.000) 1.838 2.560 ( -2.842 3.346 0.000) 4.390 2.662 ( -1.587 1.182 0.000) 1.979 2.734 ( -3.209 -1.626 0.000) 3.597 2.970 ( 0.489 -10.971 0.000) 10.981 3.080 ( 1.553 1.088 0.000) 1.896 3.122 ( 0.607 -0.805 0.000) 1.008 3.299 ( 0.549 -6.234 0.000) 6.258 3.383 ( 6.319 -10.911 0.000) 12.609 3.478 ( -3.060 -8.860 0.000) 9.374 3.505 ( -12.550 2.223 0.000) 12.745 3.737 ( -3.941 4.297 0.000) 5.830 3.793 ( -3.875 7.499 0.000) 8.441 4.140 ( 9.588 -8.519 0.000) 12.826 4.357 ( 0.726 6.579 0.000) 6.619 4.502 ( -11.438 -8.582 0.000) 14.300 4.834 ( -3.170 9.053 0.000) 9.592 4.877 ( 2.384 -0.093 0.000) 2.386 5.451 ( 2.568 9.131 0.000) 9.485 5.545 ( 1.238 5.812 0.000) 5.942 5.571 ( 4.488 -6.430 0.000) 7.841 5.617 ( -1.482 0.836 0.000) 1.702 5.665 ( -1.244 3.487 0.000) 3.703 5.732 ( -1.595 -14.835 0.000) 14.920 5.823 ( -4.209 -8.202 0.000) 9.219 5.888 ( -2.832 -2.911 0.000) 4.061 6.033 ( 1.954 2.037 0.000) 2.823 6.090 ( -2.644 3.905 0.000) 4.716 6.157 ( 3.005 -1.310 0.000) 3.278 6.509 ( 1.493 -8.058 0.000) 8.195 6.826 ( -12.451 -1.978 0.000) 12.607 7.554 ( 4.793 23.340 0.000) 23.827 8.055 ( 6.648 3.377 0.000) 7.457 8.807 ( 0.620 -28.316 0.000) 28.323 9.108 ( -5.054 15.015 0.000) 15.843 9.535 ( 16.630 7.612 0.000) 18.289 9.970 ( -9.285 -9.934 0.000) 13.597 10.979 ( -2.120 13.281 0.000) 13.449 11.110 ( 0.137 5.489 0.000) 5.490 16.976 ( 0.045 -0.637 0.000) 0.638 16.978 ( -0.129 -0.560 0.000) 0.575 16.993 ( -0.313 -1.005 0.000) 1.052 16.993 ( 0.100 -0.775 0.000) 0.781 18.216 ( -0.252 -0.154 0.000) 0.295 18.262 ( 0.118 0.176 0.000) 0.212 18.285 ( 0.363 0.850 0.000) 0.924 18.309 ( 0.166 0.530 0.000) 0.555 30.803 ( 0.219 -0.495 0.000) 0.542 30.824 ( -0.239 -0.504 0.000) 0.558 30.853 ( 0.038 0.520 0.000) 0.521 30.934 ( -0.085 1.766 0.000) 1.768 50.282 ( -1.816 -4.778 0.000) 5.111 50.434 ( 5.750 -5.386 0.000) 7.879 50.698 ( -11.571 -8.403 0.000) 14.300 50.717 ( 2.713 -8.627 0.000) 9.044 ======================= Grid point 22 (16/84) ======================= q-point: ( 0.62 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( -7.336 4.696 0.000) 8.711 1.473 ( 9.666 -6.959 0.000) 11.911 1.517 ( 7.661 -7.307 0.000) 10.587 1.624 ( -8.525 -4.413 0.000) 9.600 1.658 ( -8.465 -9.022 0.000) 12.371 1.735 ( 6.027 4.780 0.000) 7.692 1.977 ( -5.140 -3.443 0.000) 6.186 2.230 ( 9.891 7.372 0.000) 12.336 2.360 ( -4.340 5.947 0.000) 7.363 2.399 ( 2.621 4.614 0.000) 5.307 2.489 ( -4.589 -1.220 0.000) 4.749 2.577 ( 3.876 -3.933 0.000) 5.522 2.685 ( 3.813 -10.221 0.000) 10.909 2.686 ( 3.445 -1.512 0.000) 3.762 2.755 ( -3.834 -3.919 0.000) 5.482 3.035 ( 1.259 4.307 0.000) 4.487 3.129 ( 1.470 -5.575 0.000) 5.765 3.241 ( 4.430 -7.612 0.000) 8.807 3.385 ( -12.481 -3.836 0.000) 13.057 3.394 ( 4.604 0.889 0.000) 4.689 3.473 ( -1.796 8.945 0.000) 9.124 3.599 ( -1.508 -6.466 0.000) 6.639 3.638 ( 1.066 -2.661 0.000) 2.866 3.686 ( -4.582 0.616 0.000) 4.624 4.241 ( 0.019 6.209 0.000) 6.209 4.346 ( 10.847 -5.315 0.000) 12.079 4.534 ( -11.059 -4.975 0.000) 12.127 4.719 ( -2.503 1.103 0.000) 2.735 4.925 ( 1.939 -2.802 0.000) 3.408 5.273 ( 1.916 12.406 0.000) 12.553 5.509 ( 0.124 -0.834 0.000) 0.843 5.556 ( -1.330 3.744 0.000) 3.973 5.646 ( 0.473 -1.090 0.000) 1.188 5.669 ( 1.613 -0.479 0.000) 1.682 5.874 ( 2.223 -4.607 0.000) 5.116 5.917 ( -1.325 -4.348 0.000) 4.545 5.936 ( -3.927 -3.042 0.000) 4.967 6.000 ( -1.134 1.106 0.000) 1.584 6.034 ( 0.558 0.964 0.000) 1.114 6.250 ( 4.748 -3.938 0.000) 6.168 6.680 ( 1.098 -10.378 0.000) 10.436 6.734 ( -9.141 3.135 0.000) 9.664 7.271 ( 0.675 10.001 0.000) 10.023 8.096 ( 10.136 -0.533 0.000) 10.150 8.752 ( -8.957 19.233 0.000) 21.217 9.344 ( 0.224 -32.357 0.000) 32.358 9.399 ( 6.387 12.919 0.000) 14.412 10.118 ( -1.231 -1.898 0.000) 2.262 10.746 ( -1.613 7.135 0.000) 7.315 11.003 ( 0.263 6.705 0.000) 6.710 16.985 ( -0.043 -0.377 0.000) 0.380 16.986 ( 0.026 -0.476 0.000) 0.477 17.003 ( -0.172 -0.379 0.000) 0.416 17.008 ( 0.101 -0.781 0.000) 0.787 18.218 ( -0.193 -0.224 0.000) 0.295 18.262 ( 0.477 0.047 0.000) 0.480 18.273 ( -0.256 0.562 0.000) 0.618 18.301 ( 0.096 0.618 0.000) 0.626 30.812 ( -0.111 -0.563 0.000) 0.574 30.842 ( 0.078 -1.566 0.000) 1.568 30.844 ( 0.046 0.543 0.000) 0.545 30.900 ( -0.048 2.034 0.000) 2.035 50.347 ( -0.974 -3.598 0.000) 3.727 50.565 ( 7.540 -2.979 0.000) 8.107 50.706 ( -10.057 -2.739 0.000) 10.423 50.903 ( 1.959 -10.423 0.000) 10.605 ======================= Grid point 23 (17/84) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( 0.000 12.201 0.000) 12.201 1.504 ( 0.000 5.566 0.000) 5.566 1.537 ( 0.000 12.724 0.000) 12.724 1.609 ( -0.000 -5.427 0.000) 5.427 1.717 ( -0.000 -3.883 0.000) 3.883 1.880 ( -0.000 -13.339 0.000) 13.339 2.066 ( -0.000 -6.649 0.000) 6.649 2.192 ( 0.000 10.084 0.000) 10.084 2.194 ( 0.000 2.580 0.000) 2.580 2.324 ( 0.000 4.456 0.000) 4.456 2.484 ( 0.000 0.960 0.000) 0.960 2.648 ( -0.000 -1.724 0.000) 1.724 2.725 ( 0.000 0.573 0.000) 0.573 2.817 ( -0.000 -5.223 0.000) 5.223 2.826 ( -0.000 -3.406 0.000) 3.406 2.949 ( 0.000 4.595 0.000) 4.595 3.158 ( 0.000 14.573 0.000) 14.573 3.242 ( 0.000 2.179 0.000) 2.179 3.256 ( -0.000 -6.452 0.000) 6.452 3.491 ( 0.000 12.069 0.000) 12.069 3.513 ( -0.000 -4.256 0.000) 4.256 3.535 ( -0.000 -10.271 0.000) 10.271 3.714 ( -0.000 -9.615 0.000) 9.615 3.784 ( -0.000 -4.372 0.000) 4.372 4.160 ( 0.000 3.539 0.000) 3.539 4.479 ( 0.000 2.766 0.000) 2.766 4.504 ( -0.000 -5.107 0.000) 5.107 4.762 ( -0.000 -7.116 0.000) 7.116 4.978 ( -0.000 -1.579 0.000) 1.579 5.088 ( 0.000 9.293 0.000) 9.293 5.474 ( 0.000 4.607 0.000) 4.607 5.549 ( -0.000 -2.293 0.000) 2.293 5.650 ( 0.000 1.526 0.000) 1.526 5.685 ( -0.000 -2.539 0.000) 2.539 5.919 ( 0.000 2.414 0.000) 2.414 5.923 ( 0.000 0.637 0.000) 0.637 6.003 ( -0.000 -1.762 0.000) 1.762 6.004 ( -0.000 -8.359 0.000) 8.359 6.065 ( -0.000 -2.552 0.000) 2.552 6.237 ( 0.000 8.240 0.000) 8.240 6.601 ( 0.000 7.180 0.000) 7.180 6.874 ( -0.000 -11.442 0.000) 11.442 7.274 ( -0.000 -9.580 0.000) 9.580 8.225 ( -0.000 -6.456 0.000) 6.456 8.332 ( 0.000 21.791 0.000) 21.791 9.267 ( 0.000 4.836 0.000) 4.836 9.858 ( 0.000 27.257 0.000) 27.257 9.872 ( -0.000 -27.097 0.000) 27.097 10.804 ( -0.000 -10.249 0.000) 10.249 10.907 ( 0.000 3.639 0.000) 3.639 16.988 ( 0.000 0.038 0.000) 0.038 16.991 ( -0.000 -0.097 0.000) 0.097 17.004 ( 0.000 0.159 0.000) 0.159 17.020 ( -0.000 -0.556 0.000) 0.556 18.222 ( -0.000 -0.327 0.000) 0.327 18.257 ( 0.000 0.808 0.000) 0.808 18.272 ( -0.000 -0.600 0.000) 0.600 18.290 ( 0.000 0.611 0.000) 0.611 30.823 ( -0.000 -0.773 0.000) 0.773 30.836 ( 0.000 0.411 0.000) 0.411 30.865 ( 0.000 1.928 0.000) 1.928 30.874 ( -0.000 -2.010 0.000) 2.010 50.380 ( -0.000 -0.526 0.000) 0.526 50.633 ( 0.000 1.715 0.000) 1.715 50.647 ( 0.000 1.873 0.000) 1.873 51.091 ( -0.000 -10.116 0.000) 10.116 ======================= Grid point 28 (18/84) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.577 ( 8.396 -0.000 0.000) 8.396 0.680 ( 10.506 -0.000 0.000) 10.506 1.146 ( -11.574 0.000 0.000) 11.574 1.553 ( 5.954 -0.000 0.000) 5.954 1.640 ( -9.532 0.000 0.000) 9.532 1.774 ( 4.123 -0.000 0.000) 4.123 1.875 ( 26.488 -0.000 0.000) 26.488 2.166 ( -11.646 0.000 0.000) 11.646 2.403 ( 0.580 -0.000 0.000) 0.580 2.407 ( 1.884 -0.000 0.000) 1.884 2.517 ( 1.436 -0.000 0.000) 1.436 2.596 ( 6.153 -0.000 0.000) 6.153 2.611 ( 6.801 -0.000 0.000) 6.801 2.665 ( -5.928 0.000 0.000) 5.928 2.741 ( -0.000 0.000 0.000) 0.000 2.948 ( 6.748 -0.000 0.000) 6.748 3.001 ( -3.682 0.000 0.000) 3.682 3.082 ( 1.338 -0.000 0.000) 1.338 3.139 ( -0.955 0.000 0.000) 0.955 3.170 ( -0.111 0.000 0.000) 0.111 3.183 ( -5.836 0.000 0.000) 5.836 3.657 ( -14.778 0.000 0.000) 14.778 3.738 ( -3.148 0.000 0.000) 3.148 3.896 ( 7.688 -0.000 0.000) 7.688 3.998 ( -1.018 0.000 0.000) 1.018 4.275 ( -7.151 0.000 0.000) 7.151 4.474 ( 3.080 -0.000 0.000) 3.080 4.919 ( 0.450 -0.000 0.000) 0.450 5.213 ( -0.454 0.000 0.000) 0.454 5.238 ( -3.306 0.000 0.000) 3.306 5.331 ( 6.272 -0.000 0.000) 6.272 5.567 ( -6.126 0.000 0.000) 6.126 5.613 ( -1.249 0.000 0.000) 1.249 5.621 ( -2.918 0.000 0.000) 2.918 5.693 ( 4.409 -0.000 0.000) 4.409 5.860 ( 2.277 -0.000 0.000) 2.277 5.879 ( -4.492 0.000 0.000) 4.492 6.054 ( 2.733 -0.000 0.000) 2.733 6.115 ( 1.774 -0.000 0.000) 1.774 6.217 ( 1.533 -0.000 0.000) 1.533 6.326 ( -3.147 0.000 0.000) 3.147 6.769 ( -10.796 0.000 0.000) 10.796 8.135 ( 0.823 -0.000 0.000) 0.823 8.264 ( 0.813 -0.000 0.000) 0.813 8.298 ( 0.118 -0.000 0.000) 0.118 9.085 ( 6.247 -0.000 0.000) 6.247 9.402 ( -0.287 0.000 0.000) 0.287 10.192 ( -2.337 0.000 0.000) 2.337 11.206 ( -0.282 0.000 0.000) 0.282 11.208 ( 0.324 -0.000 0.000) 0.324 16.958 ( 0.326 -0.000 0.000) 0.326 16.962 ( 0.062 -0.000 0.000) 0.062 16.968 ( -0.214 0.000 0.000) 0.214 16.978 ( 0.008 -0.000 0.000) 0.008 18.214 ( -0.097 0.000 0.000) 0.097 18.266 ( -0.002 0.000 0.000) 0.002 18.310 ( 0.031 -0.000 0.000) 0.031 18.320 ( 0.096 -0.000 0.000) 0.096 30.799 ( 0.562 -0.000 0.000) 0.562 30.821 ( -0.564 0.000 0.000) 0.564 30.863 ( -0.015 0.000 0.000) 0.015 30.968 ( 0.010 -0.000 0.000) 0.010 50.179 ( -1.671 0.000 0.000) 1.671 50.305 ( 3.712 -0.000 0.000) 3.712 50.429 ( -3.672 0.000 0.000) 3.672 50.552 ( 2.033 -0.000 0.000) 2.033 ======================= Grid point 29 (19/84) ======================= q-point: ( 0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( 4.389 -24.121 0.000) 24.517 0.909 ( 6.142 -16.418 0.000) 17.529 1.108 ( -6.624 -3.693 0.000) 7.584 1.567 ( -1.294 0.698 0.000) 1.470 1.588 ( -5.948 -1.071 0.000) 6.044 1.786 ( 13.222 3.250 0.000) 13.615 2.003 ( -7.310 2.065 0.000) 7.596 2.231 ( 8.227 -12.738 0.000) 15.164 2.406 ( 3.311 0.962 0.000) 3.448 2.413 ( -0.282 -0.010 0.000) 0.282 2.505 ( 1.086 1.356 0.000) 1.737 2.606 ( 2.390 3.577 0.000) 4.302 2.620 ( -2.983 1.838 0.000) 3.503 2.657 ( 3.579 -0.153 0.000) 3.583 2.774 ( -2.337 9.932 0.000) 10.203 2.806 ( 0.172 -7.414 0.000) 7.416 3.094 ( 0.715 -0.191 0.000) 0.740 3.113 ( -1.192 0.341 0.000) 1.240 3.185 ( -0.561 -5.665 0.000) 5.692 3.208 ( 2.671 -12.904 0.000) 13.177 3.292 ( -1.370 -9.765 0.000) 9.861 3.492 ( -8.761 5.676 0.000) 10.439 3.726 ( -1.750 -0.505 0.000) 1.821 3.927 ( -1.085 7.125 0.000) 7.207 4.053 ( 7.644 -9.654 0.000) 12.314 4.277 ( -8.505 -5.979 0.000) 10.396 4.459 ( 1.099 3.899 0.000) 4.051 4.904 ( 0.671 1.526 0.000) 1.667 5.025 ( -0.978 13.992 0.000) 14.026 5.385 ( -1.893 -17.647 0.000) 17.748 5.491 ( 5.923 -7.188 0.000) 9.314 5.572 ( 0.546 3.724 0.000) 3.764 5.609 ( -2.864 -1.597 0.000) 3.280 5.621 ( -4.007 -8.778 0.000) 9.649 5.664 ( 1.103 6.385 0.000) 6.480 5.761 ( -0.975 7.061 0.000) 7.128 5.880 ( -0.330 0.613 0.000) 0.696 6.069 ( 1.525 0.400 0.000) 1.576 6.148 ( 0.957 -1.732 0.000) 1.979 6.156 ( -0.963 5.362 0.000) 5.448 6.387 ( -0.159 -6.715 0.000) 6.717 6.723 ( -5.686 -1.883 0.000) 5.989 8.019 ( 1.785 25.035 0.000) 25.098 8.124 ( 1.287 1.605 0.000) 2.057 8.415 ( 0.407 -16.580 0.000) 16.585 9.313 ( -0.766 9.889 0.000) 9.918 9.400 ( 3.683 -24.199 0.000) 24.477 10.036 ( -1.662 14.713 0.000) 14.807 11.146 ( -0.534 6.892 0.000) 6.913 11.185 ( 0.129 2.939 0.000) 2.942 16.966 ( 0.030 -0.450 0.000) 0.451 16.967 ( 0.012 -0.503 0.000) 0.503 16.973 ( -0.082 -0.916 0.000) 0.919 16.982 ( 0.019 -0.514 0.000) 0.514 18.214 ( -0.071 -0.036 0.000) 0.079 18.264 ( -0.009 0.133 0.000) 0.133 18.303 ( 0.134 0.775 0.000) 0.787 18.318 ( 0.058 0.292 0.000) 0.298 30.803 ( 0.477 0.048 0.000) 0.479 30.817 ( -0.450 -0.052 0.000) 0.453 30.861 ( -0.003 0.301 0.000) 0.301 30.959 ( -0.009 1.069 0.000) 1.069 50.199 ( -0.869 -3.280 0.000) 3.393 50.383 ( 5.015 -5.040 0.000) 7.110 50.473 ( -6.399 -7.632 0.000) 9.959 50.610 ( 1.130 -5.146 0.000) 5.269 ======================= Grid point 30 (20/84) ======================= q-point: ( 0.62 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( -0.000 -2.000 0.000) 2.000 1.267 ( -0.000 -20.523 0.000) 20.523 1.315 ( -0.000 -19.418 0.000) 19.418 1.531 ( 0.000 1.332 0.000) 1.332 1.576 ( -0.000 -0.327 0.000) 0.327 1.865 ( -0.000 -3.376 0.000) 3.376 1.880 ( 0.000 5.319 0.000) 5.319 2.393 ( 0.000 2.402 0.000) 2.402 2.435 ( -0.000 -1.732 0.000) 1.732 2.471 ( 0.000 11.714 0.000) 11.714 2.488 ( 0.000 2.668 0.000) 2.668 2.504 ( -0.000 -13.009 0.000) 13.009 2.553 ( 0.000 0.982 0.000) 0.982 2.686 ( -0.000 -1.080 0.000) 1.080 2.687 ( -0.000 -0.766 0.000) 0.766 2.973 ( -0.000 -10.980 0.000) 10.980 3.092 ( 0.000 1.437 0.000) 1.437 3.142 ( -0.000 -4.816 0.000) 4.816 3.300 ( -0.000 -7.276 0.000) 7.276 3.357 ( 0.000 5.102 0.000) 5.102 3.447 ( -0.000 -13.045 0.000) 13.045 3.458 ( -0.000 -9.349 0.000) 9.349 3.700 ( 0.000 5.546 0.000) 5.546 3.756 ( 0.000 9.439 0.000) 9.439 4.306 ( -0.000 -12.066 0.000) 12.066 4.323 ( -0.000 -5.616 0.000) 5.616 4.363 ( 0.000 7.138 0.000) 7.138 4.806 ( 0.000 9.733 0.000) 9.733 4.898 ( -0.000 -0.751 0.000) 0.751 5.475 ( 0.000 9.069 0.000) 9.069 5.548 ( 0.000 5.320 0.000) 5.320 5.596 ( 0.000 1.389 0.000) 1.389 5.626 ( -0.000 -5.342 0.000) 5.342 5.658 ( 0.000 3.212 0.000) 3.212 5.721 ( -0.000 -18.726 0.000) 18.726 5.779 ( -0.000 -9.728 0.000) 9.728 5.861 ( 0.000 0.579 0.000) 0.579 6.056 ( 0.000 5.106 0.000) 5.106 6.061 ( 0.000 1.361 0.000) 1.361 6.185 ( -0.000 -2.845 0.000) 2.845 6.521 ( -0.000 -8.644 0.000) 8.644 6.723 ( -0.000 -0.229 0.000) 0.229 7.592 ( 0.000 23.774 0.000) 23.774 8.114 ( 0.000 0.047 0.000) 0.047 8.812 ( -0.000 -28.233 0.000) 28.233 9.063 ( 0.000 17.980 0.000) 17.980 9.714 ( 0.000 19.200 0.000) 19.200 9.848 ( -0.000 -23.105 0.000) 23.105 10.962 ( 0.000 13.709 0.000) 13.709 11.112 ( 0.000 5.477 0.000) 5.477 16.976 ( -0.000 -0.634 0.000) 0.634 16.976 ( -0.000 -0.576 0.000) 0.576 16.990 ( -0.000 -0.936 0.000) 0.936 16.994 ( -0.000 -0.812 0.000) 0.812 18.214 ( -0.000 -0.094 0.000) 0.094 18.262 ( 0.000 0.034 0.000) 0.034 18.288 ( 0.000 0.960 0.000) 0.960 18.311 ( 0.000 0.509 0.000) 0.509 30.805 ( -0.000 -0.161 0.000) 0.161 30.822 ( -0.000 -0.788 0.000) 0.788 30.854 ( 0.000 0.496 0.000) 0.496 30.933 ( 0.000 1.792 0.000) 1.792 50.268 ( -0.000 -4.726 0.000) 4.726 50.543 ( -0.000 -6.930 0.000) 6.930 50.544 ( -0.000 -6.484 0.000) 6.484 50.739 ( -0.000 -8.980 0.000) 8.980 ======================= Grid point 39 (21/84) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.648 ( 0.000 -0.000 0.000) 0.000 0.776 ( 0.000 -0.000 0.000) 0.000 1.044 ( 0.000 -0.000 0.000) 0.000 1.554 ( 0.000 -0.000 0.000) 0.000 1.567 ( 0.000 -0.000 0.000) 0.000 1.945 ( 0.000 -0.000 0.000) 0.000 1.964 ( -0.000 0.000 0.000) 0.000 2.109 ( -0.000 0.000 0.000) 0.000 2.410 ( 0.000 -0.000 0.000) 0.000 2.422 ( 0.000 -0.000 0.000) 0.000 2.529 ( 0.000 -0.000 0.000) 0.000 2.614 ( 0.000 -0.000 0.000) 0.000 2.648 ( 0.000 -0.000 0.000) 0.000 2.672 ( -0.000 0.000 0.000) 0.000 2.741 ( 0.000 -0.000 0.000) 0.000 2.966 ( 0.000 -0.000 0.000) 0.000 3.007 ( 0.000 -0.000 0.000) 0.000 3.093 ( 0.000 -0.000 0.000) 0.000 3.130 ( 0.000 -0.000 0.000) 0.000 3.133 ( 0.000 -0.000 0.000) 0.000 3.169 ( 0.000 -0.000 0.000) 0.000 3.516 ( 0.000 -0.000 0.000) 0.000 3.713 ( 0.000 -0.000 0.000) 0.000 3.978 ( 0.000 -0.000 0.000) 0.000 3.987 ( 0.000 -0.000 0.000) 0.000 4.197 ( 0.000 -0.000 0.000) 0.000 4.498 ( 0.000 -0.000 0.000) 0.000 4.924 ( 0.000 -0.000 0.000) 0.000 5.208 ( 0.000 -0.000 0.000) 0.000 5.211 ( 0.000 -0.000 0.000) 0.000 5.421 ( 0.000 -0.000 0.000) 0.000 5.470 ( 0.000 -0.000 0.000) 0.000 5.602 ( 0.000 -0.000 0.000) 0.000 5.605 ( 0.000 -0.000 0.000) 0.000 5.745 ( 0.000 -0.000 0.000) 0.000 5.826 ( -0.000 0.000 0.000) 0.000 5.879 ( 0.000 -0.000 0.000) 0.000 6.078 ( 0.000 -0.000 0.000) 0.000 6.130 ( 0.000 -0.000 0.000) 0.000 6.229 ( 0.000 -0.000 0.000) 0.000 6.299 ( 0.000 -0.000 0.000) 0.000 6.680 ( 0.000 -0.000 0.000) 0.000 8.142 ( 0.000 -0.000 0.000) 0.000 8.270 ( 0.000 -0.000 0.000) 0.000 8.299 ( 0.000 -0.000 0.000) 0.000 9.136 ( 0.000 -0.000 0.000) 0.000 9.399 ( 0.000 -0.000 0.000) 0.000 10.172 ( 0.000 -0.000 0.000) 0.000 11.204 ( 0.000 -0.000 0.000) 0.000 11.211 ( 0.000 -0.000 0.000) 0.000 16.962 ( 0.000 -0.000 0.000) 0.000 16.963 ( -0.293 0.000 0.000) 0.293 16.964 ( 0.293 -0.000 0.000) 0.293 16.978 ( 0.000 -0.000 0.000) 0.000 18.213 ( 0.000 -0.000 0.000) 0.000 18.265 ( 0.000 -0.000 0.000) 0.000 18.310 ( 0.000 -0.000 0.000) 0.000 18.320 ( 0.000 -0.000 0.000) 0.000 30.806 ( -0.000 0.000 0.000) 0.000 30.814 ( 0.000 -0.000 0.000) 0.000 30.863 ( 0.000 -0.000 0.000) 0.000 30.968 ( 0.000 -0.000 0.000) 0.000 50.166 ( 0.000 -0.000 0.000) 0.000 50.366 ( 0.000 -0.000 0.000) 0.000 50.368 ( -0.000 0.000 0.000) 0.000 50.569 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 69 (22/84) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.354 ( 0.000 0.000 17.675) 17.675 0.488 ( 0.000 0.000 24.221) 24.221 0.740 ( 0.000 0.000 36.175) 36.175 1.104 ( 0.000 0.000 2.695) 2.695 1.860 ( 0.000 0.000 -2.136) 2.136 1.879 ( 0.000 0.000 2.915) 2.915 2.127 ( 0.000 0.000 2.117) 2.117 2.156 ( 0.000 0.000 -1.735) 1.735 2.229 ( 0.000 0.000 -3.218) 3.218 2.291 ( 0.000 0.000 -0.584) 0.584 2.413 ( 0.000 0.000 -1.093) 1.093 2.455 ( 0.000 0.000 4.490) 4.490 2.574 ( 0.000 0.000 1.793) 1.793 2.630 ( 0.000 0.000 1.912) 1.912 2.773 ( 0.000 0.000 -12.148) 12.148 2.817 ( 0.000 0.000 7.778) 7.778 3.114 ( 0.000 0.000 -1.905) 1.905 3.193 ( 0.000 0.000 5.529) 5.529 3.272 ( 0.000 0.000 8.337) 8.337 3.286 ( 0.000 0.000 -3.404) 3.404 3.467 ( 0.000 0.000 5.974) 5.974 3.646 ( 0.000 0.000 -1.021) 1.021 3.814 ( 0.000 0.000 -2.431) 2.431 3.897 ( 0.000 0.000 -7.180) 7.180 3.997 ( 0.000 0.000 -4.294) 4.294 4.306 ( 0.000 0.000 4.394) 4.394 4.433 ( 0.000 0.000 -4.204) 4.204 4.872 ( 0.000 0.000 -3.972) 3.972 5.150 ( 0.000 0.000 -5.275) 5.275 5.408 ( 0.000 0.000 -10.520) 10.520 5.531 ( 0.000 0.000 -2.954) 2.954 5.535 ( 0.000 0.000 0.281) 0.281 5.624 ( 0.000 0.000 -2.955) 2.955 5.788 ( 0.000 0.000 4.807) 4.807 5.861 ( 0.000 0.000 5.888) 5.888 5.867 ( 0.000 0.000 -6.461) 6.461 5.949 ( 0.000 0.000 1.891) 1.891 6.073 ( 0.000 0.000 2.642) 2.642 6.098 ( 0.000 0.000 6.198) 6.198 6.154 ( 0.000 0.000 13.750) 13.750 6.455 ( 0.000 0.000 -0.692) 0.692 7.165 ( 0.000 0.000 2.897) 2.897 7.639 ( 0.000 0.000 9.886) 9.886 8.074 ( 0.000 0.000 -3.739) 3.739 8.470 ( 0.000 0.000 16.813) 16.813 8.591 ( 0.000 0.000 -11.767) 11.767 9.320 ( 0.000 0.000 -8.983) 8.983 10.248 ( 0.000 0.000 4.452) 4.452 11.179 ( 0.000 0.000 -4.156) 4.156 11.197 ( 0.000 0.000 -12.295) 12.295 16.952 ( 0.000 0.000 0.325) 0.325 16.975 ( 0.000 0.000 0.283) 0.283 16.979 ( 0.000 0.000 0.223) 0.223 17.025 ( 0.000 0.000 -0.487) 0.487 18.222 ( 0.000 0.000 0.111) 0.111 18.240 ( 0.000 0.000 -0.083) 0.083 18.267 ( 0.000 0.000 0.151) 0.151 18.309 ( 0.000 0.000 -0.292) 0.292 30.802 ( 0.000 0.000 1.794) 1.794 30.837 ( 0.000 0.000 0.515) 0.515 30.866 ( 0.000 0.000 0.203) 0.203 30.968 ( 0.000 0.000 -0.114) 0.114 50.217 ( 0.000 0.000 1.353) 1.353 50.386 ( 0.000 0.000 -0.403) 0.403 50.563 ( 0.000 0.000 3.538) 3.538 51.257 ( 0.000 0.000 -4.139) 4.139 ======================= Grid point 70 (23/84) ======================= q-point: ( 0.12 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.504 ( 17.696 -6.552 12.795) 22.798 0.685 ( 2.117 -17.343 16.459) 24.003 1.039 ( 5.930 -26.402 24.134) 36.258 1.174 ( 4.960 -5.381 2.711) 7.804 1.759 ( -12.864 0.271 0.115) 12.868 1.933 ( 7.824 2.298 0.641) 8.180 2.102 ( -7.172 -2.838 -0.006) 7.713 2.191 ( -2.706 1.745 -0.779) 3.313 2.216 ( 3.916 0.426 -1.745) 4.308 2.300 ( 3.367 -1.051 -0.626) 3.583 2.442 ( -1.549 -3.660 -2.143) 4.515 2.510 ( 0.354 -2.254 1.157) 2.558 2.524 ( 0.730 2.687 6.120) 6.723 2.651 ( 3.301 -0.765 1.373) 3.656 2.781 ( -0.613 -1.093 -10.351) 10.427 2.850 ( 0.528 -4.729 4.145) 6.310 3.107 ( -0.745 0.745 -1.202) 1.598 3.184 ( -1.968 -0.274 5.742) 6.076 3.249 ( -1.662 3.454 -1.908) 4.281 3.330 ( -0.189 -6.128 6.612) 9.017 3.370 ( -0.405 1.394 8.314) 8.440 3.743 ( -2.322 -4.249 -4.171) 6.391 3.830 ( 2.378 2.212 -5.070) 6.021 3.891 ( 1.850 -0.791 -3.620) 4.142 4.039 ( -4.445 -5.531 -2.453) 7.507 4.246 ( 4.441 3.059 2.812) 6.082 4.621 ( -2.851 -12.280 -9.171) 15.590 4.830 ( -0.035 4.646 -3.451) 5.788 5.079 ( -1.001 6.590 -4.288) 7.926 5.355 ( -3.033 5.867 -2.172) 6.953 5.439 ( -0.189 0.500 -2.011) 2.081 5.491 ( 5.836 6.169 1.595) 8.640 5.668 ( -1.066 -1.093 0.311) 1.559 5.777 ( -7.063 -5.998 -1.475) 9.383 5.804 ( -3.917 2.950 -2.170) 5.362 5.897 ( 2.590 -1.441 4.033) 5.005 5.961 ( -2.614 -1.729 1.309) 3.396 6.085 ( -0.235 0.427 7.888) 7.903 6.148 ( -0.028 -4.330 7.880) 8.991 6.183 ( 1.560 -1.868 8.847) 9.176 6.438 ( -0.949 1.299 -0.279) 1.633 7.288 ( 10.019 -1.655 -2.871) 10.553 7.618 ( -11.570 -1.338 5.571) 12.911 7.994 ( 0.113 8.792 -3.513) 9.469 8.489 ( 0.819 -7.453 13.165) 15.150 8.632 ( 21.271 5.757 -10.053) 24.221 9.289 ( -0.115 3.648 -8.806) 9.533 10.264 ( -3.803 -3.235 6.394) 8.113 10.979 ( 0.037 10.085 -13.398) 16.770 11.296 ( -2.649 -0.364 -5.243) 5.885 16.960 ( 0.053 -0.725 0.055) 0.729 16.978 ( -0.034 -0.339 0.286) 0.445 16.983 ( -0.002 -0.375 0.229) 0.439 17.022 ( -1.269 -0.403 -0.058) 1.333 18.224 ( -0.116 -0.298 0.090) 0.332 18.243 ( 1.115 0.419 -0.341) 1.239 18.269 ( 0.094 -0.163 0.108) 0.217 18.306 ( 0.112 0.404 -0.261) 0.493 30.809 ( -0.306 -0.978 1.993) 2.241 30.837 ( -0.003 0.092 0.517) 0.525 30.865 ( 0.030 0.134 0.419) 0.441 30.986 ( -0.592 -0.849 1.061) 1.482 50.248 ( 0.850 -3.034 1.306) 3.411 50.404 ( -2.190 -2.057 0.867) 3.127 50.497 ( 1.627 1.070 6.479) 6.765 51.242 ( -17.472 -5.741 -3.962) 18.813 ======================= Grid point 71 (24/84) ======================= q-point: ( 0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( 18.926 -9.345 7.888) 22.533 1.032 ( 3.310 -19.185 9.182) 21.525 1.327 ( 6.641 -6.994 2.800) 10.043 1.570 ( 4.738 -24.660 12.276) 27.951 1.674 ( -9.705 -2.196 1.450) 10.055 1.920 ( 5.057 4.865 -0.139) 7.019 2.079 ( -4.700 2.748 -2.285) 5.904 2.127 ( -7.985 -3.074 1.975) 8.781 2.226 ( 1.734 2.101 -0.896) 2.868 2.367 ( 5.193 -1.531 0.823) 5.476 2.425 ( -0.165 2.946 0.348) 2.971 2.498 ( -1.701 -3.217 -1.340) 3.878 2.600 ( -0.031 -4.069 2.427) 4.738 2.696 ( 2.769 -0.154 -0.972) 2.939 2.800 ( -0.485 -2.282 -5.013) 5.529 2.981 ( 0.137 -9.192 -0.262) 9.197 3.068 ( -1.563 2.283 1.519) 3.156 3.144 ( -0.985 4.961 -1.188) 5.196 3.212 ( 1.674 -3.164 3.217) 4.813 3.383 ( -0.150 -2.943 6.567) 7.198 3.504 ( 1.789 -9.327 4.338) 10.441 3.731 ( 1.551 4.680 -5.278) 7.223 3.777 ( -3.553 1.362 -2.480) 4.542 3.929 ( -2.910 -1.285 -3.405) 4.659 4.079 ( -4.336 -3.505 2.737) 6.211 4.260 ( 3.923 0.623 -3.016) 4.987 4.738 ( 1.338 2.267 -1.974) 3.291 4.756 ( -4.223 -4.463 -5.845) 8.480 4.956 ( -3.235 4.519 -1.912) 5.877 5.230 ( 5.508 10.989 -3.287) 12.724 5.440 ( 2.014 0.279 0.627) 2.128 5.486 ( 1.063 -3.131 1.855) 3.791 5.666 ( -1.604 -0.349 -0.645) 1.764 5.694 ( -2.487 4.382 -2.752) 5.741 5.888 ( -1.275 0.458 0.065) 1.356 5.907 ( -4.008 -8.275 -2.009) 9.411 5.996 ( -0.673 -3.248 1.669) 3.713 6.066 ( 1.525 2.107 7.724) 8.150 6.179 ( -0.622 -0.154 10.988) 11.007 6.229 ( -0.158 0.025 5.684) 5.687 6.439 ( 1.927 -3.476 1.270) 4.173 7.303 ( 8.152 9.334 0.478) 12.401 7.512 ( -24.653 -6.330 4.005) 25.766 7.808 ( 3.412 13.177 -2.713) 13.880 8.705 ( 27.600 8.080 -9.488) 30.283 8.790 ( 0.650 -24.303 3.519) 24.565 9.193 ( -2.766 6.041 -8.387) 10.700 10.289 ( -4.511 -2.598 7.631) 9.237 10.812 ( -0.756 8.975 -17.878) 20.018 11.210 ( -2.345 6.815 -0.051) 7.207 16.974 ( 0.071 -0.760 0.074) 0.767 16.985 ( -0.072 -0.459 0.291) 0.549 16.992 ( 0.040 -0.601 0.227) 0.644 17.020 ( -0.856 -0.359 0.023) 0.928 18.229 ( -0.334 -0.453 0.049) 0.565 18.242 ( 0.815 0.575 -0.183) 1.014 18.273 ( 0.059 -0.268 0.020) 0.275 18.299 ( 0.266 0.636 -0.191) 0.715 30.828 ( -0.526 -1.361 2.131) 2.582 30.837 ( 0.058 -0.281 0.911) 0.955 30.862 ( 0.141 0.278 0.953) 1.003 30.976 ( -0.849 1.056 2.856) 3.161 50.325 ( 1.847 -4.253 1.198) 4.789 50.424 ( -4.284 -3.840 2.478) 6.264 50.581 ( 4.653 -5.873 1.419) 7.626 51.174 ( -13.744 -0.896 -3.195) 14.139 ======================= Grid point 72 (25/84) ======================= q-point: ( 0.38 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( 16.253 -9.949 4.659) 19.618 1.361 ( 2.887 -15.051 4.392) 15.943 1.478 ( 2.844 -3.717 1.333) 4.866 1.600 ( -6.747 0.372 3.875) 7.790 1.866 ( 4.353 3.716 -0.846) 5.786 1.913 ( -3.220 -7.685 7.740) 11.372 1.988 ( -4.443 1.675 -1.108) 4.876 2.130 ( -2.416 4.911 1.855) 5.779 2.183 ( 1.778 -4.283 0.460) 4.660 2.371 ( 1.556 2.338 0.036) 2.809 2.480 ( 0.739 -4.555 -2.063) 5.055 2.565 ( -0.227 -6.848 -1.463) 7.006 2.652 ( -0.150 0.475 2.775) 2.820 2.662 ( -2.600 0.888 -4.529) 5.297 2.873 ( 1.181 -5.231 0.873) 5.434 3.004 ( -1.758 2.362 2.077) 3.603 3.060 ( 1.396 0.755 -1.348) 2.082 3.188 ( 0.187 -8.565 -0.719) 8.598 3.293 ( 4.278 -1.353 2.887) 5.336 3.418 ( 2.330 -0.403 1.500) 2.800 3.607 ( -1.075 -0.197 -0.351) 1.148 3.678 ( 1.488 1.434 1.596) 2.611 3.731 ( -4.707 -0.852 -1.169) 4.924 3.862 ( -3.617 4.808 -1.420) 6.182 4.119 ( 1.577 -2.359 0.285) 2.851 4.243 ( -3.690 1.504 -3.753) 5.474 4.728 ( 6.946 0.982 -1.523) 7.179 4.801 ( -6.634 -4.022 -3.388) 8.466 4.900 ( -4.665 -1.885 -0.245) 5.037 5.075 ( 6.406 11.821 -2.047) 13.600 5.477 ( 2.177 -2.895 1.905) 4.093 5.571 ( 1.769 -3.454 -0.767) 3.956 5.622 ( -1.878 0.567 -1.234) 2.317 5.653 ( -1.352 1.589 -1.373) 2.498 5.835 ( -3.105 1.174 -0.721) 3.397 5.961 ( -1.752 3.438 -3.937) 5.513 6.050 ( 2.380 -3.795 -0.070) 4.480 6.077 ( -0.209 -2.892 5.213) 5.965 6.157 ( -1.997 1.039 9.809) 10.064 6.189 ( -0.522 2.416 8.589) 8.937 6.593 ( 5.253 -9.723 2.351) 11.299 7.103 ( -1.591 14.441 2.034) 14.670 7.494 ( -20.269 -10.939 1.902) 23.111 7.634 ( 9.666 12.388 -1.475) 15.782 8.784 ( 23.250 5.596 -8.444) 25.361 9.047 ( -8.343 5.280 -8.099) 12.770 9.283 ( 0.627 -30.446 -3.171) 30.617 10.188 ( -1.231 14.444 -1.398) 14.563 10.731 ( -2.286 -3.432 -7.553) 8.606 11.047 ( -1.279 9.999 1.884) 10.255 16.986 ( 0.082 -0.523 0.158) 0.552 16.991 ( -0.097 -0.284 0.281) 0.411 17.003 ( 0.143 -0.588 0.182) 0.632 17.018 ( -0.496 -0.037 0.049) 0.500 18.234 ( -0.595 -0.449 0.020) 0.746 18.238 ( 0.709 0.507 -0.053) 0.873 18.279 ( -0.118 -0.350 -0.059) 0.374 18.290 ( 0.386 0.614 -0.134) 0.737 30.836 ( -0.353 -0.455 1.093) 1.235 30.849 ( 0.025 0.026 1.385) 1.385 30.867 ( 0.294 -1.401 2.597) 2.966 30.943 ( -0.736 1.913 3.278) 3.866 50.408 ( 2.906 -2.860 1.134) 4.232 50.456 ( -4.246 -3.339 1.693) 5.661 50.739 ( 6.061 -7.067 -0.397) 9.318 51.059 ( -10.294 3.078 -2.459) 11.022 ======================= Grid point 73 (26/84) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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| 1.377 ( 11.508 -6.853 1.780) 13.511 1.377 ( -11.508 6.853 1.780) 13.511 1.563 ( -0.077 -5.541 3.185) 6.392 1.563 ( 0.077 5.541 3.185) 6.392 1.886 ( -5.657 -0.268 3.224) 6.517 1.886 ( 5.657 0.268 3.224) 6.517 2.007 ( 0.561 -4.672 1.365) 4.900 2.007 ( -0.561 4.672 1.365) 4.900 2.309 ( 2.667 -4.741 -0.756) 5.492 2.309 ( -2.667 4.741 -0.756) 5.492 2.560 ( -0.071 -5.231 -2.146) 5.655 2.560 ( 0.071 5.231 -2.146) 5.655 2.663 ( -1.796 -1.747 -0.824) 2.638 2.663 ( 1.796 1.747 -0.824) 2.638 2.952 ( -0.439 -2.502 1.727) 3.071 2.952 ( 0.439 2.502 1.727) 3.071 3.153 ( 0.493 -9.088 1.231) 9.185 3.153 ( -0.493 9.088 1.231) 9.185 3.396 ( -1.370 -6.883 -0.451) 7.032 3.396 ( 1.370 6.883 -0.451) 7.032 3.620 ( 0.272 -1.313 -0.468) 1.420 3.620 ( -0.272 1.313 -0.468) 1.420 3.765 ( 0.654 -3.505 1.187) 3.758 3.765 ( -0.654 3.505 1.187) 3.758 4.178 ( -3.938 -0.170 -2.236) 4.532 4.178 ( 3.938 0.170 -2.236) 4.532 4.783 ( -7.247 -0.449 -2.096) 7.558 4.783 ( 7.247 0.449 -2.096) 7.558 4.947 ( -5.867 -8.166 -0.632) 10.076 4.947 ( 5.867 8.166 -0.632) 10.076 5.560 ( 0.927 -4.027 1.032) 4.259 5.560 ( -0.927 4.027 1.032) 4.259 5.626 ( -1.144 -0.571 -0.347) 1.324 5.626 ( 1.144 0.571 -0.347) 1.324 5.857 ( -1.312 -5.808 -4.910) 7.717 5.857 ( 1.312 5.808 -4.910) 7.717 6.109 ( -0.527 -0.464 2.490) 2.587 6.109 ( 0.527 0.464 2.490) 2.587 6.145 ( -1.275 -1.883 9.492) 9.761 6.145 ( 1.275 1.883 9.492) 9.761 6.834 ( 5.309 -12.868 2.392) 14.124 6.834 ( -5.309 12.868 2.392) 14.124 7.538 ( -16.091 -11.010 0.054) 19.498 7.538 ( 16.091 11.010 0.054) 19.498 8.895 ( -15.752 0.393 -8.049) 17.694 8.895 ( 15.752 -0.393 -8.049) 17.694 9.800 ( 0.466 -27.708 -6.207) 28.399 9.800 ( -0.466 27.708 -6.207) 28.399 10.860 ( -0.789 -10.683 0.679) 10.733 10.860 ( 0.789 10.683 0.679) 10.733 16.992 ( 0.058 -0.099 0.236) 0.262 16.992 ( -0.058 0.099 0.236) 0.262 17.013 ( 0.280 -0.335 0.109) 0.450 17.013 ( -0.280 0.335 0.109) 0.450 18.236 ( -0.710 -0.433 0.001) 0.832 18.236 ( 0.710 0.433 0.001) 0.832 18.284 ( -0.330 -0.468 -0.103) 0.582 18.284 ( 0.330 0.468 -0.103) 0.582 30.842 ( -0.351 -0.564 1.245) 1.411 30.842 ( 0.351 0.564 1.245) 1.411 30.903 ( 0.156 -2.068 3.164) 3.783 30.903 ( -0.156 2.068 3.164) 3.783 50.458 ( -3.881 -0.552 1.257) 4.116 50.458 ( 3.881 0.552 1.257) 4.116 50.908 ( 5.093 -5.018 -1.559) 7.318 50.908 ( -5.093 5.018 -1.559) 7.318 ======================= Grid point 79 (27/84) ======================= q-point: ( 0.12 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.530 ( 5.167 -0.000 22.332) 22.922 0.589 ( 14.917 -0.000 16.863) 22.514 0.915 ( 24.797 -0.000 23.188) 33.950 1.186 ( 9.684 -0.000 2.551) 10.015 1.642 ( -15.354 0.000 0.745) 15.372 1.979 ( -1.147 0.000 3.118) 3.323 1.996 ( -9.494 0.000 1.111) 9.559 2.243 ( 3.993 -0.000 -3.016) 5.004 2.260 ( 5.988 -0.000 -0.908) 6.056 2.295 ( 1.838 -0.000 -3.064) 3.573 2.378 ( -4.070 0.000 -2.977) 5.042 2.498 ( 4.590 -0.000 4.941) 6.744 2.564 ( -0.878 0.000 3.012) 3.138 2.683 ( 5.822 -0.000 1.716) 6.070 2.767 ( -0.927 0.000 -10.797) 10.837 2.814 ( 0.218 -0.000 7.901) 7.904 3.099 ( -1.884 0.000 -1.543) 2.435 3.161 ( -3.475 0.000 5.831) 6.788 3.254 ( -1.760 0.000 6.802) 7.026 3.272 ( -1.108 0.000 -0.095) 1.112 3.375 ( -7.484 0.000 6.292) 9.778 3.682 ( 4.321 -0.000 -0.747) 4.385 3.865 ( -0.004 0.000 -6.462) 6.462 3.921 ( 2.445 -0.000 -6.463) 6.910 3.963 ( -3.875 0.000 -3.009) 4.906 4.344 ( 4.338 -0.000 2.913) 5.225 4.412 ( -2.626 0.000 -4.002) 4.787 4.869 ( -0.348 0.000 -4.214) 4.228 5.151 ( 0.075 -0.000 -5.377) 5.378 5.388 ( -4.488 0.000 -8.409) 9.531 5.425 ( -6.626 0.000 0.006) 6.626 5.490 ( -7.470 0.000 6.365) 9.814 5.631 ( 5.494 -0.000 -2.439) 6.012 5.759 ( -2.744 0.000 4.169) 4.991 5.770 ( -3.280 0.000 8.097) 8.736 5.828 ( -4.906 0.000 -3.077) 5.791 5.989 ( 4.189 -0.000 1.938) 4.615 6.030 ( -4.314 0.000 5.254) 6.798 6.165 ( 1.225 -0.000 13.445) 13.501 6.166 ( 6.166 -0.000 3.645) 7.163 6.435 ( -2.362 0.000 -0.525) 2.419 7.296 ( -6.207 0.000 3.143) 6.957 7.636 ( 10.301 -0.000 -19.029) 21.639 8.065 ( -0.990 0.000 -4.358) 4.470 8.474 ( 0.517 -0.000 16.937) 16.945 8.877 ( 24.774 -0.000 -6.877) 25.711 9.327 ( 0.728 -0.000 -8.246) 8.278 10.200 ( -5.141 0.000 2.158) 5.575 11.149 ( -3.880 0.000 -9.874) 10.609 11.175 ( -0.410 0.000 -4.264) 4.283 16.953 ( 0.157 -0.000 0.314) 0.351 16.975 ( -0.060 0.000 0.281) 0.287 16.979 ( -0.024 0.000 0.215) 0.217 16.999 ( -1.941 0.000 1.290) 2.330 18.221 ( -0.153 0.000 0.134) 0.203 18.261 ( 0.978 -0.000 -0.982) 1.386 18.271 ( 1.000 -0.000 -0.634) 1.184 18.311 ( 0.161 -0.000 -0.309) 0.348 30.798 ( -0.152 0.000 1.601) 1.608 30.838 ( -0.072 0.000 0.409) 0.415 30.865 ( -0.025 0.000 0.176) 0.178 30.967 ( -0.031 0.000 -0.127) 0.131 50.230 ( 1.590 -0.000 1.370) 2.099 50.380 ( -1.252 0.000 0.309) 1.290 50.550 ( -1.719 0.000 3.369) 3.783 50.894 ( -26.942 0.000 18.991) 32.962 ======================= Grid point 80 (28/84) ======================= q-point: ( 0.25 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( 6.070 -16.428 13.956) 22.394 0.796 ( 14.340 -9.192 11.864) 20.758 1.275 ( 22.844 -14.400 14.299) 30.556 1.312 ( 11.751 -4.957 2.932) 13.087 1.538 ( -14.246 -2.185 1.473) 14.488 1.940 ( -6.961 -0.364 2.132) 7.289 1.977 ( -8.162 -5.059 1.618) 9.738 2.189 ( 4.520 7.114 -3.263) 9.038 2.277 ( 1.956 1.981 -1.716) 3.270 2.358 ( 2.739 -3.009 -1.719) 4.417 2.400 ( -1.408 -2.811 -4.799) 5.737 2.512 ( 0.174 2.034 2.320) 3.091 2.573 ( 4.613 -0.937 6.358) 7.911 2.723 ( 4.363 -0.161 1.078) 4.497 2.758 ( -2.513 -0.253 -8.236) 8.615 2.864 ( 1.287 -4.688 5.674) 7.472 3.087 ( -1.249 0.586 0.013) 1.380 3.150 ( -1.371 -3.147 3.574) 4.955 3.204 ( -3.506 3.300 -0.293) 4.824 3.317 ( -1.174 -3.620 8.519) 9.330 3.361 ( -1.050 -6.774 3.169) 7.552 3.729 ( -0.373 -0.415 -2.246) 2.315 3.847 ( 0.214 2.725 -5.872) 6.477 3.888 ( -4.051 0.815 -2.942) 5.073 3.966 ( -2.546 -3.784 1.036) 4.677 4.327 ( 4.308 1.855 -1.759) 5.009 4.547 ( -5.584 -10.411 -4.132) 12.516 4.834 ( 0.608 3.466 -3.538) 4.990 5.049 ( -2.504 8.367 -3.731) 9.498 5.327 ( -0.229 -1.245 -2.148) 2.493 5.449 ( 1.044 -0.321 -3.965) 4.112 5.578 ( 4.348 8.108 -2.026) 9.421 5.604 ( -7.811 -14.698 -1.152) 16.684 5.669 ( -3.063 1.509 4.591) 5.722 5.740 ( -3.444 2.660 -2.008) 4.793 5.875 ( -6.087 -4.588 3.758) 8.499 5.950 ( 2.224 1.173 3.988) 4.714 6.085 ( 1.061 -2.401 4.898) 5.557 6.169 ( 1.423 0.048 11.434) 11.522 6.226 ( 3.181 -0.971 5.702) 6.601 6.413 ( -1.774 -0.417 -0.208) 1.834 7.226 ( -17.281 -3.486 6.264) 18.709 7.625 ( 11.559 12.617 -14.627) 22.511 8.000 ( 0.827 6.548 -4.789) 8.154 8.501 ( 0.896 -7.923 13.920) 16.042 9.052 ( 25.480 3.749 -6.551) 26.575 9.285 ( -0.306 5.305 -7.426) 9.131 10.163 ( -8.045 -2.643 5.136) 9.904 10.980 ( 0.109 9.792 -13.608) 16.765 11.241 ( -3.329 -0.921 -3.174) 4.691 16.962 ( 0.144 -0.678 0.092) 0.699 16.977 ( -0.121 -0.331 0.298) 0.462 16.983 ( -0.008 -0.407 0.196) 0.452 16.998 ( -1.247 -1.028 0.804) 1.805 18.221 ( -0.235 -0.213 0.141) 0.347 18.261 ( 0.574 0.551 -0.472) 0.925 18.275 ( 0.768 0.340 -0.494) 0.974 18.309 ( 0.216 0.355 -0.294) 0.510 30.804 ( -0.167 -0.779 1.700) 1.878 30.835 ( -0.158 0.070 0.549) 0.576 30.865 ( 0.028 0.050 0.411) 0.415 30.974 ( -0.658 -0.370 0.874) 1.155 50.274 ( 2.391 -3.155 1.304) 4.168 50.353 ( -3.781 -0.410 4.292) 5.734 50.531 ( 2.129 -2.714 2.348) 4.173 50.907 ( -18.908 -13.012 6.112) 23.752 ======================= Grid point 81 (29/84) ======================= q-point: ( 0.38 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( 14.539 -9.060 5.378) 17.956 1.109 ( 6.172 -17.950 7.177) 20.293 1.436 ( -2.621 -2.698 0.312) 3.775 1.514 ( 0.842 -5.065 4.267) 6.676 1.703 ( 6.874 -14.583 10.022) 18.983 1.880 ( -8.194 0.268 2.114) 8.466 2.025 ( -3.081 -4.390 -1.551) 5.583 2.120 ( 8.763 4.743 -0.887) 10.003 2.233 ( -1.245 3.250 -0.929) 3.602 2.403 ( 0.555 -0.488 -3.652) 3.726 2.432 ( 1.115 -1.426 -0.991) 2.064 2.498 ( 1.406 -0.847 0.495) 1.714 2.611 ( 0.964 -0.666 2.911) 3.139 2.708 ( -1.855 2.526 -1.800) 3.614 2.790 ( -0.436 -4.147 0.955) 4.278 2.980 ( 0.133 -7.402 2.180) 7.717 3.063 ( 1.024 0.941 0.751) 1.580 3.124 ( -1.306 2.607 -0.574) 2.971 3.269 ( 5.414 -7.145 1.279) 9.056 3.384 ( 0.315 -4.331 6.240) 7.602 3.509 ( -1.539 -8.657 1.223) 8.878 3.678 ( -8.325 1.109 -1.486) 8.529 3.758 ( -0.655 6.117 -3.255) 6.960 3.859 ( -4.261 0.712 -1.046) 4.445 4.050 ( 1.246 -6.204 1.134) 6.429 4.303 ( 1.525 4.352 -3.503) 5.791 4.643 ( -7.804 -7.360 -2.694) 11.061 4.797 ( 3.790 2.068 -2.304) 4.894 4.891 ( -4.531 5.441 -1.164) 7.176 5.310 ( 4.003 8.110 -7.129) 11.516 5.484 ( 3.133 -1.923 0.384) 3.696 5.506 ( 1.505 -0.216 -1.215) 1.946 5.637 ( -2.004 1.359 0.007) 2.422 5.652 ( -2.301 1.589 -2.965) 4.076 5.822 ( -5.613 -12.911 -4.168) 14.682 5.844 ( -4.306 1.159 4.010) 5.997 6.005 ( 1.147 -3.723 3.988) 5.575 6.100 ( 2.328 1.680 4.057) 4.970 6.163 ( -1.021 1.173 10.726) 10.839 6.227 ( 0.127 2.036 7.454) 7.729 6.477 ( 2.462 -7.037 0.721) 7.490 7.139 ( -21.003 -3.247 3.712) 21.574 7.442 ( 8.302 14.997 -0.707) 17.156 7.888 ( 6.362 8.696 -4.501) 11.677 8.802 ( 0.871 -24.415 3.371) 24.662 9.108 ( 11.076 10.098 -9.159) 17.565 9.150 ( 7.994 10.262 -7.152) 14.844 10.193 ( -7.182 -7.189 8.699) 13.376 10.798 ( -0.881 10.728 -16.652) 19.828 11.171 ( -2.198 5.683 0.145) 6.095 16.975 ( 0.107 -0.734 0.116) 0.751 16.983 ( -0.149 -0.477 0.294) 0.580 16.992 ( 0.067 -0.670 0.134) 0.687 17.007 ( -0.713 -0.765 0.351) 1.103 18.223 ( -0.382 -0.281 0.133) 0.492 18.255 ( 0.680 0.650 -0.237) 0.970 18.275 ( 0.195 0.054 -0.181) 0.271 18.303 ( 0.275 0.549 -0.247) 0.662 30.819 ( -0.471 -1.030 1.627) 1.982 30.838 ( 0.081 -0.616 1.260) 1.405 30.864 ( 0.113 0.169 1.013) 1.033 30.962 ( -0.761 0.986 2.156) 2.490 50.354 ( -1.511 -3.952 2.140) 4.741 50.377 ( 1.875 -4.168 2.255) 5.096 50.648 ( 3.483 -7.393 -0.326) 8.179 50.937 ( -14.274 -5.761 0.819) 15.415 ======================= Grid point 82 (30/84) ======================= q-point: ( 0.50 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( 8.231 -7.524 1.968) 11.324 1.353 ( -7.160 -0.929 2.512) 7.644 1.449 ( 3.475 -9.770 3.568) 10.966 1.635 ( 7.141 -1.158 3.641) 8.099 1.817 ( -6.637 -0.560 2.294) 7.045 1.832 ( -6.820 -4.574 6.212) 10.296 2.020 ( 0.834 1.570 -2.546) 3.105 2.102 ( 3.179 5.756 2.281) 6.960 2.285 ( 9.527 -3.420 -0.629) 10.142 2.377 ( -0.913 4.241 -1.956) 4.759 2.464 ( -0.869 -4.418 -4.415) 6.306 2.574 ( -1.867 -3.838 -0.705) 4.325 2.616 ( -1.432 -1.472 -1.586) 2.595 2.674 ( 2.814 0.188 3.039) 4.146 2.870 ( -0.818 -5.986 4.360) 7.451 3.004 ( 1.387 3.006 -0.074) 3.311 3.089 ( 2.378 -0.845 -0.512) 2.576 3.198 ( 1.075 -9.418 0.069) 9.480 3.359 ( 3.886 4.795 2.614) 6.703 3.466 ( 3.175 -1.799 0.882) 3.754 3.570 ( -5.164 -1.850 -0.826) 5.547 3.596 ( -6.937 -1.402 -1.521) 7.239 3.697 ( -1.816 -1.864 1.260) 2.892 3.780 ( -6.469 2.593 1.146) 7.063 4.164 ( 3.038 -1.905 -3.184) 4.795 4.231 ( 3.321 2.739 -1.244) 4.481 4.677 ( -8.913 -4.087 -2.296) 10.071 4.792 ( -2.982 -0.600 0.652) 3.111 4.851 ( 2.819 -1.564 -1.896) 3.740 5.165 ( 4.365 11.002 -4.019) 12.500 5.511 ( 1.637 -1.930 0.733) 2.635 5.587 ( -0.660 0.078 -2.524) 2.610 5.614 ( 1.843 -4.479 -1.783) 5.161 5.633 ( -0.904 1.833 1.350) 2.449 5.781 ( -3.554 0.430 -2.107) 4.154 5.915 ( -3.375 -0.866 -4.174) 5.437 6.070 ( -0.548 -2.872 4.442) 5.318 6.108 ( 2.834 -0.889 1.767) 3.456 6.133 ( -0.265 0.754 11.235) 11.263 6.195 ( 2.043 1.783 7.168) 7.664 6.662 ( 3.238 -10.970 1.953) 11.603 6.964 ( -14.863 6.879 0.977) 16.407 7.322 ( -2.010 1.146 4.745) 5.279 7.829 ( 13.803 7.240 -4.091) 16.114 8.882 ( -11.241 10.717 -6.086) 16.681 9.104 ( 15.931 9.318 -9.955) 20.969 9.294 ( 0.598 -30.181 -3.131) 30.349 10.166 ( -1.481 11.516 -0.520) 11.622 10.692 ( -2.428 -3.885 -6.233) 7.735 11.031 ( -0.753 8.805 1.231) 8.922 16.987 ( 0.057 -0.509 0.188) 0.546 16.989 ( -0.096 -0.320 0.274) 0.432 17.005 ( 0.156 -0.682 0.041) 0.701 17.011 ( -0.377 -0.243 0.253) 0.515 18.225 ( -0.472 -0.290 0.122) 0.568 18.250 ( 0.774 0.523 -0.124) 0.942 18.276 ( -0.249 -0.131 -0.105) 0.300 18.295 ( 0.263 0.578 -0.196) 0.664 30.829 ( -0.457 -0.661 1.216) 1.457 30.852 ( 0.341 0.003 1.326) 1.369 30.870 ( -0.022 -1.467 2.535) 2.929 30.933 ( -0.395 1.679 2.807) 3.294 50.398 ( -2.722 -3.195 1.932) 4.620 50.475 ( 5.032 -2.761 1.075) 5.840 50.816 ( 1.590 -8.202 -1.977) 8.586 50.892 ( -8.138 -0.911 -0.027) 8.188 ======================= Grid point 83 (31/84) ======================= q-point: (-0.38 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( -12.907 9.110 5.211) 16.635 1.502 ( 2.394 -1.781 0.606) 3.045 1.572 ( 2.122 6.978 3.347) 8.025 1.597 ( 3.534 -0.301 3.910) 5.279 1.777 ( -5.762 -1.183 1.272) 6.018 1.933 ( -0.328 -9.005 4.684) 10.156 2.004 ( 1.034 -0.805 -2.799) 3.091 2.098 ( 8.074 1.199 3.209) 8.771 2.270 ( -2.411 5.695 -0.885) 6.247 2.349 ( 1.748 0.550 1.646) 2.463 2.522 ( -3.689 0.751 -0.974) 3.889 2.587 ( 2.811 -4.510 -4.350) 6.868 2.655 ( 1.674 0.368 -0.409) 1.762 2.703 ( 1.221 0.298 -2.652) 2.935 2.927 ( -0.703 2.302 1.606) 2.893 2.979 ( 0.980 -2.111 2.775) 3.622 3.136 ( -0.513 8.382 -0.033) 8.398 3.187 ( 2.815 -1.346 1.666) 3.537 3.347 ( -4.709 -1.450 -0.263) 4.934 3.425 ( 2.286 6.914 -1.210) 7.382 3.564 ( -2.344 -4.709 0.589) 5.293 3.637 ( -2.989 -2.052 2.946) 4.672 3.745 ( 0.122 -2.760 -1.275) 3.043 3.750 ( -2.123 -6.234 0.978) 6.658 4.133 ( -0.975 1.915 -3.033) 3.717 4.299 ( 9.362 -0.027 -2.266) 9.632 4.645 ( -9.539 -1.346 -1.526) 9.754 4.822 ( -3.512 -6.147 1.547) 7.247 4.907 ( 2.732 -1.248 -3.462) 4.583 5.029 ( 3.745 7.976 -1.595) 8.954 5.536 ( -0.904 3.998 2.848) 4.991 5.571 ( -0.754 -0.927 1.918) 2.260 5.619 ( 0.562 -2.209 -3.426) 4.115 5.642 ( 0.677 0.917 -0.224) 1.162 5.827 ( -1.330 -5.037 -6.935) 8.674 5.890 ( 1.554 -0.640 -1.808) 2.469 6.082 ( -1.544 0.667 1.807) 2.468 6.113 ( -0.054 0.514 6.332) 6.353 6.145 ( 0.762 -1.228 9.655) 9.762 6.206 ( 5.073 1.962 5.299) 7.594 6.712 ( -8.811 9.630 1.948) 13.197 6.888 ( 1.808 -12.141 2.699) 12.568 7.358 ( -6.547 -9.130 2.691) 11.553 7.848 ( 21.660 7.614 -3.218) 23.184 8.602 ( -20.314 6.237 -5.561) 21.965 9.094 ( 8.686 2.912 -9.533) 13.221 9.790 ( -0.519 18.248 -6.464) 19.366 9.810 ( 0.500 -18.215 -5.952) 19.169 10.832 ( -1.375 -5.065 1.281) 5.402 10.890 ( 1.500 1.489 0.051) 2.114 16.990 ( -0.079 0.072 0.176) 0.206 16.993 ( 0.067 -0.098 0.282) 0.306 17.009 ( -0.179 0.227 0.275) 0.399 17.017 ( 0.228 -0.473 -0.053) 0.528 18.226 ( -0.431 -0.335 0.092) 0.554 18.248 ( 0.719 0.544 -0.120) 0.910 18.277 ( -0.459 -0.429 -0.048) 0.630 18.288 ( 0.157 0.524 -0.124) 0.561 30.837 ( -0.264 -0.550 1.195) 1.342 30.849 ( 0.332 0.361 1.347) 1.433 30.890 ( -0.649 0.589 2.645) 2.786 30.916 ( 0.688 -1.035 3.635) 3.842 50.411 ( -1.986 -0.335 1.454) 2.484 50.535 ( 5.733 0.897 0.794) 5.857 50.775 ( -8.410 3.189 -0.273) 8.998 51.016 ( 5.097 -8.095 -2.692) 9.938 ======================= Grid point 84 (32/84) ======================= q-point: (-0.25 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( -10.141 12.619 8.900) 18.474 1.331 ( -0.853 16.963 6.021) 18.020 1.424 ( -2.147 7.538 2.977) 8.384 1.706 ( 4.324 -3.841 1.450) 5.963 1.788 ( -3.319 -3.959 -0.639) 5.205 1.938 ( 0.401 14.511 5.645) 15.576 2.068 ( 3.219 -3.351 -4.630) 6.560 2.151 ( 0.549 -5.104 3.266) 6.085 2.223 ( 4.836 0.248 2.886) 5.637 2.329 ( -3.495 0.308 3.425) 4.903 2.436 ( -2.702 5.340 0.267) 5.991 2.603 ( 2.590 6.151 -2.708) 7.202 2.669 ( 1.241 1.241 2.332) 2.919 2.681 ( -0.040 -0.094 -8.110) 8.110 2.843 ( -1.683 3.950 -0.574) 4.332 3.039 ( 1.616 -2.587 2.819) 4.153 3.045 ( -0.494 -1.325 -1.723) 2.228 3.193 ( 0.838 8.991 -1.470) 9.149 3.233 ( -2.724 2.897 1.918) 4.415 3.397 ( -0.474 -1.293 2.871) 3.185 3.604 ( -1.095 2.463 4.431) 5.187 3.639 ( -1.427 -3.116 -1.241) 3.645 3.788 ( 1.873 -0.773 -2.202) 2.993 3.895 ( 0.816 -8.591 -1.691) 8.794 4.106 ( -0.327 0.457 0.081) 0.568 4.317 ( 4.058 5.409 -4.682) 8.225 4.625 ( -4.728 -4.622 -0.347) 6.621 4.885 ( 3.729 3.089 -4.452) 6.578 4.945 ( 0.003 -1.745 -1.136) 2.082 4.991 ( -2.682 -7.088 0.248) 7.583 5.452 ( -0.880 3.345 3.062) 4.619 5.550 ( -0.720 3.046 0.038) 3.130 5.646 ( 0.882 -1.741 -0.781) 2.102 5.670 ( 0.661 -1.706 -3.111) 3.610 5.872 ( 1.317 -1.408 -1.072) 2.206 5.963 ( -0.662 -4.575 1.257) 4.790 6.043 ( 0.476 3.890 -3.915) 5.540 6.084 ( 0.514 3.116 4.886) 5.818 6.188 ( 1.466 -1.409 8.764) 8.997 6.197 ( 0.337 -0.727 9.203) 9.238 6.514 ( -3.579 7.327 2.785) 8.617 7.095 ( -0.913 -10.801 2.493) 11.122 7.528 ( -3.157 -14.674 -0.051) 15.010 7.879 ( 24.493 11.574 0.757) 27.101 8.387 ( -24.561 -3.754 -7.791) 26.039 9.140 ( 3.063 -2.481 -9.196) 10.005 9.276 ( -0.279 30.643 -3.226) 30.814 10.202 ( 0.462 -16.088 -1.884) 16.205 10.758 ( 0.877 2.668 -8.337) 8.798 11.065 ( 0.736 -10.852 2.040) 11.066 16.985 ( -0.035 0.520 0.117) 0.534 16.992 ( 0.032 0.279 0.289) 0.403 17.001 ( -0.053 0.523 0.292) 0.602 17.025 ( 0.248 -0.211 -0.131) 0.351 18.229 ( -0.304 -0.363 0.037) 0.475 18.242 ( 0.325 0.625 -0.081) 0.709 18.280 ( 0.023 0.411 -0.047) 0.414 18.285 ( -0.227 -0.667 -0.053) 0.706 30.838 ( 0.005 0.179 0.886) 0.904 30.852 ( 0.256 -0.243 1.417) 1.460 30.862 ( -0.259 1.505 2.613) 3.026 30.953 ( 0.402 -2.027 3.786) 4.314 50.377 ( -1.006 2.763 1.253) 3.196 50.535 ( 5.288 4.071 0.630) 6.704 50.640 ( -6.008 5.372 1.159) 8.142 51.184 ( 4.528 -6.629 -4.291) 9.102 ======================= Grid point 85 (33/84) ======================= q-point: (-0.12 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.602 ( 0.000 12.283 12.575) 17.578 1.006 ( 0.000 19.663 10.273) 22.185 1.273 ( 0.000 8.049 2.789) 8.519 1.533 ( 0.000 29.240 13.408) 32.168 1.810 ( -0.000 -4.239 1.710) 4.571 1.817 ( -0.000 -2.178 -2.005) 2.960 2.136 ( -0.000 -2.028 -3.039) 3.653 2.198 ( -0.000 -0.290 -0.149) 0.326 2.250 ( 0.000 4.371 1.111) 4.510 2.275 ( -0.000 -0.747 1.633) 1.796 2.419 ( -0.000 -4.997 3.883) 6.328 2.523 ( 0.000 4.648 -2.212) 5.147 2.608 ( 0.000 5.221 3.174) 6.110 2.659 ( 0.000 1.905 -2.628) 3.246 2.803 ( 0.000 1.001 -6.595) 6.670 2.979 ( 0.000 9.808 -1.656) 9.947 3.085 ( -0.000 -1.997 0.705) 2.118 3.153 ( -0.000 -6.354 -1.519) 6.533 3.203 ( 0.000 1.005 4.601) 4.710 3.385 ( 0.000 2.308 6.946) 7.319 3.483 ( 0.000 9.437 5.628) 10.988 3.715 ( -0.000 -5.416 -6.724) 8.634 3.809 ( -0.000 -0.717 -1.832) 1.967 3.945 ( 0.000 3.344 -3.265) 4.674 4.150 ( -0.000 -4.944 4.022) 6.373 4.196 ( 0.000 8.594 -4.754) 9.821 4.717 ( -0.000 -6.602 -1.180) 6.706 4.806 ( 0.000 7.027 -8.844) 11.296 4.984 ( -0.000 -4.222 -2.442) 4.877 5.174 ( -0.000 -12.727 0.216) 12.728 5.424 ( -0.000 -0.428 0.608) 0.743 5.476 ( 0.000 4.055 3.059) 5.079 5.681 ( 0.000 0.589 -1.291) 1.419 5.717 ( -0.000 -5.526 -2.249) 5.966 5.889 ( -0.000 -0.330 1.889) 1.918 5.944 ( 0.000 7.613 -5.076) 9.150 6.009 ( 0.000 1.102 0.619) 1.265 6.054 ( -0.000 -1.606 8.672) 8.819 6.183 ( 0.000 0.174 11.449) 11.451 6.229 ( 0.000 1.711 5.665) 5.917 6.424 ( 0.000 0.887 1.499) 1.741 7.228 ( -0.000 -4.974 1.435) 5.176 7.780 ( -0.000 -14.816 -2.051) 14.958 7.792 ( 0.000 9.800 6.509) 11.764 8.397 ( -0.000 -8.567 -11.347) 14.218 8.785 ( 0.000 24.516 3.521) 24.768 9.216 ( -0.000 -4.613 -9.069) 10.175 10.326 ( 0.000 0.556 7.238) 7.260 10.819 ( -0.000 -8.165 -18.377) 20.109 11.232 ( -0.000 -7.619 -0.484) 7.634 16.973 ( 0.000 0.768 0.058) 0.770 16.985 ( 0.000 0.456 0.288) 0.540 16.991 ( 0.000 0.576 0.267) 0.635 17.028 ( -0.000 -0.019 -0.239) 0.240 18.232 ( 0.000 0.410 -0.017) 0.410 18.234 ( -0.000 -0.165 0.010) 0.166 18.273 ( 0.000 0.333 0.060) 0.338 18.296 ( -0.000 -0.689 -0.161) 0.707 30.833 ( 0.000 1.562 2.420) 2.880 30.836 ( 0.000 0.047 0.658) 0.660 30.860 ( -0.000 -0.362 0.885) 0.957 30.984 ( -0.000 -1.187 3.220) 3.431 50.310 ( 0.000 4.166 1.234) 4.345 50.484 ( 0.000 4.813 -0.694) 4.863 50.518 ( 0.000 4.418 4.926) 6.617 51.300 ( -0.000 -3.784 -6.281) 7.333 ======================= Grid point 88 (34/84) ======================= q-point: ( 0.25 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.645 ( 8.740 -0.000 19.113) 21.017 0.768 ( 9.844 -0.000 20.960) 23.157 1.381 ( 13.505 -0.000 1.768) 13.620 1.386 ( -2.164 0.000 3.541) 4.150 1.421 ( 19.492 -0.000 5.493) 20.251 1.849 ( -8.242 0.000 1.221) 8.332 1.869 ( -9.745 0.000 5.318) 11.102 2.280 ( -6.669 0.000 -2.984) 7.306 2.312 ( 2.903 -0.000 -4.469) 5.329 2.340 ( 2.571 -0.000 -3.111) 4.036 2.383 ( 8.396 -0.000 -4.477) 9.515 2.557 ( -0.041 0.000 4.275) 4.275 2.580 ( 5.345 -0.000 4.488) 6.979 2.709 ( -4.305 0.000 -5.697) 7.141 2.814 ( 7.992 -0.000 -0.711) 8.023 2.830 ( 1.739 -0.000 8.295) 8.475 3.056 ( -3.358 0.000 -0.681) 3.427 3.111 ( -1.986 0.000 4.008) 4.473 3.229 ( -1.239 0.000 5.128) 5.275 3.245 ( -5.118 0.000 -3.737) 6.337 3.272 ( -2.595 0.000 10.181) 10.507 3.776 ( 7.223 -0.000 -0.152) 7.224 3.799 ( -7.416 0.000 -3.969) 8.411 3.859 ( -8.527 0.000 -0.320) 8.533 3.954 ( 1.315 -0.000 -5.149) 5.315 4.349 ( -5.146 0.000 -3.345) 6.138 4.424 ( 5.047 -0.000 1.104) 5.166 4.864 ( -0.172 0.000 -4.782) 4.785 5.149 ( -0.406 0.000 -5.704) 5.718 5.306 ( -3.187 0.000 -2.559) 4.087 5.328 ( -5.336 0.000 1.355) 5.505 5.465 ( 0.858 -0.000 -1.807) 2.000 5.701 ( 2.449 -0.000 0.428) 2.486 5.716 ( -6.260 0.000 -2.026) 6.580 5.721 ( -1.068 0.000 -0.317) 1.114 5.749 ( -2.070 0.000 6.410) 6.736 5.978 ( -2.570 0.000 3.898) 4.669 6.058 ( 3.970 -0.000 1.119) 4.124 6.189 ( 1.665 -0.000 12.683) 12.791 6.248 ( 4.105 -0.000 5.459) 6.830 6.386 ( -3.429 0.000 0.076) 3.430 7.067 ( -16.296 0.000 6.713) 17.625 7.825 ( 9.632 -0.000 -25.889) 27.623 8.048 ( -0.874 0.000 -5.807) 5.873 8.486 ( 0.899 -0.000 17.304) 17.327 9.206 ( 16.226 -0.000 7.840) 18.021 9.340 ( 0.841 -0.000 -6.559) 6.613 10.108 ( -5.979 0.000 -4.767) 7.647 11.107 ( -1.467 0.000 -10.578) 10.679 11.167 ( -0.574 0.000 -4.525) 4.561 16.956 ( 0.269 -0.000 0.285) 0.392 16.973 ( -0.131 0.000 0.279) 0.309 16.978 ( -0.368 0.000 0.795) 0.876 16.980 ( -0.372 0.000 0.601) 0.706 18.218 ( -0.159 0.000 0.185) 0.243 18.265 ( 0.050 -0.000 -0.060) 0.078 18.289 ( 0.798 -0.000 -1.432) 1.639 18.314 ( 0.170 -0.000 -0.342) 0.382 30.799 ( 0.242 -0.000 1.058) 1.085 30.834 ( -0.314 0.000 0.526) 0.612 30.865 ( -0.059 0.000 0.102) 0.118 30.967 ( -0.017 0.000 -0.151) 0.152 50.266 ( 2.940 -0.000 1.437) 3.272 50.329 ( -4.771 0.000 4.904) 6.842 50.510 ( -3.118 0.000 2.941) 4.286 50.640 ( -6.439 0.000 11.929) 13.556 ======================= Grid point 89 (35/84) ======================= q-point: ( 0.38 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( 7.720 -15.076 11.965) 20.737 0.984 ( 10.471 -12.797 13.826) 21.554 1.308 ( -12.517 -2.951 2.927) 13.189 1.505 ( 10.132 -2.683 1.004) 10.529 1.633 ( 13.003 -1.569 5.747) 14.303 1.804 ( -8.685 -1.037 6.337) 10.801 1.904 ( 5.275 -8.160 -1.379) 9.814 2.214 ( -5.883 0.485 -3.778) 7.009 2.286 ( 4.621 3.664 -2.993) 6.613 2.393 ( 0.652 -2.375 -2.066) 3.215 2.444 ( 5.657 0.901 -4.412) 7.231 2.521 ( 1.038 2.215 2.893) 3.788 2.649 ( 4.470 -0.520 4.653) 6.474 2.684 ( -5.472 -1.040 -4.171) 6.959 2.774 ( 1.271 3.520 0.214) 3.749 2.893 ( 1.878 -2.308 7.642) 8.200 3.085 ( 0.889 -0.465 0.077) 1.007 3.144 ( -1.244 -2.188 0.357) 2.542 3.156 ( -0.030 -4.135 0.490) 4.164 3.299 ( -1.064 -4.612 8.895) 10.076 3.336 ( -1.966 -8.674 1.346) 8.996 3.653 ( -9.743 4.579 -1.929) 10.936 3.787 ( -5.660 1.201 -0.015) 5.786 3.894 ( 3.971 0.769 -3.113) 5.105 3.958 ( 1.711 -4.105 0.095) 4.449 4.345 ( -3.273 -1.895 -4.991) 6.263 4.477 ( -1.794 -3.146 1.218) 3.821 4.849 ( 1.175 1.422 -3.933) 4.344 5.007 ( -2.540 10.488 -3.832) 11.451 5.339 ( 1.373 -5.319 -5.593) 7.839 5.455 ( -1.635 -5.872 -6.150) 8.659 5.506 ( -2.604 -9.779 1.739) 10.268 5.619 ( -0.143 5.036 -1.877) 5.376 5.636 ( -0.521 3.537 1.035) 3.722 5.701 ( -1.386 3.663 -2.181) 4.483 5.780 ( -5.454 -3.256 5.476) 8.387 5.971 ( 0.603 -1.543 5.139) 5.400 6.109 ( 1.262 -1.436 0.986) 2.151 6.191 ( 1.493 1.295 12.080) 12.241 6.263 ( 1.245 1.521 7.201) 7.464 6.393 ( -0.501 -3.863 -0.012) 3.895 6.956 ( -14.724 -1.289 5.998) 15.951 7.782 ( 7.234 13.010 -15.261) 21.319 8.022 ( 1.771 3.029 -6.863) 7.708 8.517 ( 0.988 -7.861 14.191) 16.252 9.274 ( -0.308 7.939 -5.737) 9.800 9.397 ( 17.373 -2.855 1.717) 17.689 10.025 ( -9.008 0.295 0.646) 9.036 10.982 ( 0.106 9.714 -13.646) 16.751 11.200 ( -1.790 -0.406 -2.916) 3.446 16.964 ( 0.196 -0.582 0.150) 0.632 16.974 ( -0.202 -0.332 0.339) 0.515 16.982 ( -0.037 -0.513 0.227) 0.562 16.985 ( -0.412 -0.914 0.668) 1.204 18.218 ( -0.178 -0.103 0.200) 0.287 18.264 ( 0.060 0.159 -0.028) 0.173 18.287 ( 0.600 0.682 -0.912) 1.288 18.312 ( 0.155 0.302 -0.333) 0.476 30.804 ( 0.165 -0.405 1.100) 1.184 30.832 ( -0.274 -0.084 0.802) 0.851 30.865 ( -0.014 -0.054 0.379) 0.383 30.967 ( -0.312 0.147 0.552) 0.651 50.289 ( -2.780 -1.138 4.627) 5.516 50.329 ( 3.440 -3.690 2.016) 5.433 50.548 ( -0.897 -5.925 0.106) 5.993 50.693 ( -7.911 -8.542 6.003) 13.099 ======================= Grid point 90 (36/84) ======================= q-point: ( 0.50 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( 3.589 -13.950 4.567) 15.111 1.254 ( 2.824 -8.565 3.514) 9.679 1.312 ( 2.379 -7.093 6.368) 9.825 1.614 ( -1.845 -6.014 1.338) 6.432 1.711 ( 2.031 -1.636 4.873) 5.527 1.766 ( -4.750 -1.311 7.282) 8.793 2.005 ( -4.376 0.660 -2.999) 5.345 2.254 ( 6.674 2.513 -2.493) 7.555 2.291 ( 10.754 -4.563 -3.491) 12.193 2.417 ( -0.802 0.313 -1.978) 2.157 2.444 ( 2.276 1.903 -2.749) 4.044 2.524 ( 1.000 -1.138 -0.228) 1.532 2.582 ( -5.231 3.327 0.126) 6.201 2.694 ( 2.123 -1.354 2.361) 3.452 2.784 ( -0.753 -2.692 4.679) 5.451 2.993 ( 1.130 -7.678 2.818) 8.257 3.082 ( 0.917 0.911 0.281) 1.323 3.125 ( 2.496 -0.236 0.883) 2.659 3.364 ( 5.238 -9.767 -0.718) 11.106 3.387 ( -0.971 -6.401 6.215) 8.974 3.467 ( -2.972 -7.640 -0.865) 8.244 3.507 ( -10.866 2.312 0.857) 11.142 3.707 ( -4.236 3.861 -2.707) 6.339 3.809 ( -2.770 6.096 1.610) 6.887 4.130 ( 8.087 -7.113 -1.467) 10.869 4.314 ( -0.056 3.625 -3.943) 5.356 4.510 ( -8.594 -5.726 0.512) 10.340 4.818 ( -2.865 7.025 -1.242) 7.687 4.858 ( 2.155 -0.338 -2.100) 3.028 5.356 ( 1.898 7.208 -8.791) 11.526 5.526 ( 2.167 -5.440 -3.744) 6.950 5.539 ( 2.498 2.642 -1.132) 3.808 5.602 ( -2.177 2.764 -3.110) 4.696 5.629 ( -1.067 -2.009 -0.874) 2.437 5.739 ( -4.146 -10.727 -1.523) 11.601 5.774 ( -4.023 -2.677 4.042) 6.300 6.018 ( 0.420 -2.780 6.233) 6.838 6.109 ( -1.034 0.662 1.886) 2.250 6.174 ( 2.059 1.974 11.267) 11.623 6.237 ( 1.086 1.646 7.817) 8.061 6.510 ( 1.488 -8.618 0.434) 8.756 6.866 ( -12.561 -0.401 3.796) 13.128 7.547 ( 4.572 17.461 -1.336) 18.099 7.991 ( 5.643 3.094 -6.453) 9.114 8.815 ( 0.661 -24.237 3.435) 24.488 9.059 ( -3.804 14.821 -4.705) 16.008 9.438 ( 14.724 13.375 -11.152) 22.805 10.075 ( -6.985 -13.022 11.022) 18.435 10.787 ( -0.534 12.193 -15.490) 19.721 11.145 ( -1.095 5.089 -0.254) 5.211 16.977 ( 0.097 -0.678 0.164) 0.704 16.981 ( -0.147 -0.528 0.299) 0.624 16.994 ( 0.057 -0.745 0.042) 0.748 16.999 ( -0.305 -0.837 0.467) 1.006 18.218 ( -0.222 -0.136 0.201) 0.329 18.262 ( 0.229 0.207 0.002) 0.309 18.279 ( 0.243 0.603 -0.506) 0.824 18.307 ( 0.144 0.491 -0.292) 0.589 30.814 ( -0.209 -0.618 1.045) 1.232 30.839 ( 0.064 -0.987 1.643) 1.918 30.865 ( 0.027 0.144 0.992) 1.003 30.954 ( -0.355 1.012 1.671) 1.986 50.317 ( -1.830 -3.706 3.171) 5.209 50.447 ( 5.605 -5.136 1.287) 7.710 50.664 ( -3.816 -8.323 -1.290) 9.247 50.765 ( -4.979 -6.441 2.372) 8.479 ======================= Grid point 91 (37/84) ======================= q-point: ( 0.62 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( -6.153 3.455 4.605) 8.426 1.472 ( 6.060 -3.932 0.518) 7.242 1.533 ( 5.406 -10.419 2.298) 11.960 1.690 ( -4.587 0.100 4.078) 6.139 1.727 ( -4.857 -11.051 7.027) 13.968 1.765 ( 3.883 5.444 3.140) 7.387 1.955 ( -4.845 -2.829 -1.500) 5.808 2.229 ( 8.747 5.804 -0.413) 10.506 2.338 ( -4.118 5.106 -2.361) 6.972 2.407 ( 3.608 2.948 0.478) 4.684 2.462 ( -0.510 -3.871 -3.867) 5.496 2.531 ( -0.492 -4.074 -4.709) 6.246 2.605 ( -0.856 -4.573 -0.721) 4.708 2.723 ( 2.343 0.683 2.330) 3.375 2.868 ( 0.400 -6.726 6.301) 9.225 3.028 ( 1.236 4.277 -0.621) 4.495 3.131 ( 2.058 -4.796 0.679) 5.263 3.233 ( 4.264 -5.091 0.143) 6.642 3.397 ( -8.182 0.715 0.772) 8.250 3.408 ( -1.568 3.601 -0.437) 3.952 3.504 ( 1.758 -2.797 5.554) 6.463 3.587 ( 2.034 -3.647 -2.651) 4.946 3.649 ( -4.032 -4.725 -2.391) 6.656 3.683 ( -3.846 2.995 3.948) 6.273 4.185 ( 0.365 4.118 -5.221) 6.659 4.352 ( 9.987 -3.234 -0.597) 10.515 4.522 ( -10.311 -3.917 -0.666) 11.050 4.732 ( -2.407 -0.103 1.470) 2.822 4.903 ( 1.989 -2.088 -2.321) 3.702 5.210 ( 1.350 9.921 -5.170) 11.268 5.526 ( 0.436 -0.865 1.523) 1.805 5.580 ( -0.135 -1.517 -5.028) 5.253 5.619 ( -0.356 1.937 3.140) 3.707 5.657 ( 2.526 -1.800 -1.476) 3.435 5.725 ( -3.068 -2.254 -5.438) 6.639 5.872 ( -1.588 -3.288 -2.318) 4.325 6.060 ( -0.465 -1.937 5.432) 5.786 6.108 ( -0.557 -0.832 6.135) 6.216 6.154 ( 0.844 1.569 10.634) 10.783 6.257 ( 3.973 -1.505 2.446) 4.902 6.696 ( 1.094 -11.138 1.749) 11.327 6.754 ( -8.652 3.535 2.008) 9.559 7.325 ( 0.668 8.787 4.882) 10.074 8.025 ( 8.418 -0.651 -7.095) 11.028 8.719 ( -7.225 18.815 -3.090) 20.390 9.280 ( 5.775 10.876 -11.095) 16.575 9.301 ( 0.254 -29.173 -3.279) 29.358 10.146 ( -0.736 8.787 0.351) 8.825 10.663 ( -1.027 -3.775 -5.278) 6.570 11.023 ( -0.199 7.936 0.624) 7.963 16.987 ( -0.034 -0.395 0.161) 0.428 16.989 ( 0.012 -0.456 0.308) 0.550 17.007 ( -0.063 -0.415 0.297) 0.514 17.008 ( 0.003 -0.655 0.022) 0.656 18.219 ( -0.174 -0.195 0.181) 0.318 18.262 ( 0.612 0.243 -0.088) 0.664 18.270 ( -0.409 0.263 -0.203) 0.527 18.298 ( 0.087 0.567 -0.226) 0.616 30.823 ( -0.180 -0.710 1.157) 1.369 30.858 ( 0.326 0.197 1.379) 1.430 30.867 ( -0.250 -1.557 2.342) 2.823 30.930 ( -0.059 1.329 2.694) 3.005 50.368 ( -0.944 -3.077 2.091) 3.839 50.572 ( 7.072 -2.745 0.553) 7.606 50.706 ( -9.066 -2.891 0.085) 9.516 50.889 ( 1.497 -9.026 -1.345) 9.247 ======================= Grid point 92 (38/84) ======================= q-point: (-0.25 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( 0.000 10.668 7.471) 13.024 1.512 ( 0.000 2.181 1.163) 2.472 1.585 ( 0.000 11.892 4.325) 12.654 1.652 ( -0.000 -1.792 3.676) 4.090 1.716 ( -0.000 -3.871 0.086) 3.872 1.928 ( -0.000 -11.208 4.505) 12.080 2.012 ( -0.000 -4.125 -4.139) 5.843 2.204 ( 0.000 7.325 1.041) 7.399 2.222 ( 0.000 0.001 1.603) 1.603 2.361 ( 0.000 3.340 3.394) 4.762 2.483 ( 0.000 0.610 -0.122) 0.622 2.627 ( -0.000 -4.778 -10.320) 11.372 2.666 ( -0.000 -2.309 1.491) 2.748 2.711 ( 0.000 2.319 -1.544) 2.786 2.925 ( 0.000 5.007 0.955) 5.098 2.985 ( -0.000 -3.685 3.877) 5.349 3.134 ( 0.000 11.202 -0.747) 11.227 3.239 ( 0.000 1.185 0.521) 1.294 3.273 ( -0.000 -2.665 0.892) 2.810 3.456 ( 0.000 9.798 -3.066) 10.266 3.550 ( -0.000 -8.739 1.298) 8.835 3.586 ( -0.000 -3.287 6.749) 7.507 3.723 ( -0.000 -7.759 0.753) 7.796 3.757 ( -0.000 -4.513 -2.701) 5.260 4.128 ( 0.000 2.192 -3.317) 3.976 4.427 ( 0.000 3.013 -5.037) 5.870 4.518 ( -0.000 -4.299 1.436) 4.532 4.784 ( -0.000 -7.010 2.213) 7.351 4.936 ( -0.000 -0.156 -3.768) 3.771 5.059 ( 0.000 7.741 -2.156) 8.036 5.531 ( 0.000 5.764 5.078) 7.682 5.558 ( -0.000 -1.487 0.766) 1.673 5.627 ( -0.000 -3.195 -4.720) 5.700 5.647 ( 0.000 1.325 -0.264) 1.351 5.816 ( -0.000 -5.897 -7.394) 9.458 5.903 ( -0.000 -2.069 -0.286) 2.089 6.069 ( 0.000 0.248 1.661) 1.680 6.113 ( 0.000 0.135 7.182) 7.183 6.152 ( -0.000 -0.977 9.309) 9.360 6.263 ( 0.000 3.851 3.987) 5.543 6.621 ( 0.000 6.807 2.047) 7.108 6.902 ( -0.000 -11.486 2.714) 11.802 7.311 ( -0.000 -7.189 3.617) 8.048 8.134 ( -0.000 -5.733 -8.852) 10.547 8.329 ( 0.000 20.188 -0.110) 20.188 9.164 ( 0.000 4.102 -10.046) 10.851 9.785 ( 0.000 18.283 -6.571) 19.428 9.814 ( -0.000 -18.239 -5.846) 19.153 10.820 ( -0.000 -5.792 1.525) 5.989 10.903 ( 0.000 0.722 -0.218) 0.754 16.990 ( 0.000 0.061 0.147) 0.159 16.994 ( -0.000 -0.097 0.297) 0.312 17.007 ( 0.000 0.191 0.345) 0.394 17.019 ( -0.000 -0.542 -0.119) 0.555 18.223 ( -0.000 -0.287 0.129) 0.314 18.255 ( 0.000 0.720 -0.237) 0.758 18.272 ( -0.000 -0.550 0.043) 0.552 18.289 ( 0.000 0.549 -0.129) 0.564 30.835 ( -0.000 -0.599 1.180) 1.323 30.852 ( 0.000 0.351 1.429) 1.472 30.884 ( 0.000 0.494 2.392) 2.442 30.922 ( -0.000 -1.150 3.825) 3.994 50.395 ( -0.000 -0.294 1.509) 1.537 50.624 ( 0.000 1.843 -0.923) 2.061 50.664 ( 0.000 1.517 1.755) 2.320 51.059 ( -0.000 -9.241 -3.173) 9.770 ======================= Grid point 97 (39/84) ======================= q-point: ( 0.38 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( 7.526 -0.000 17.574) 19.118 0.918 ( 8.511 -0.000 19.049) 20.864 1.184 ( -10.672 0.000 3.961) 11.384 1.546 ( 3.862 -0.000 -0.773) 3.939 1.675 ( -7.019 0.000 3.313) 7.762 1.793 ( 4.550 -0.000 1.822) 4.901 1.909 ( 21.898 -0.000 3.700) 22.209 2.145 ( -9.893 0.000 -2.300) 10.157 2.346 ( 1.225 -0.000 -5.554) 5.688 2.366 ( 0.466 -0.000 -2.502) 2.545 2.503 ( 5.729 -0.000 -5.357) 7.844 2.557 ( 0.020 -0.000 3.172) 3.172 2.631 ( -4.217 0.000 -3.309) 5.360 2.657 ( 3.728 -0.000 3.201) 4.914 2.867 ( 2.764 -0.000 8.920) 9.339 2.938 ( 6.532 -0.000 -0.926) 6.598 2.998 ( -3.687 0.000 0.215) 3.694 3.099 ( 0.040 -0.000 1.604) 1.605 3.158 ( -3.378 0.000 -0.018) 3.378 3.214 ( -0.695 0.000 4.098) 4.157 3.251 ( -1.909 0.000 8.362) 8.577 3.627 ( -11.817 0.000 -2.174) 12.015 3.757 ( -4.133 0.000 1.753) 4.490 3.902 ( 8.018 -0.000 0.396) 8.028 3.960 ( -0.345 0.000 -3.891) 3.906 4.253 ( -6.628 0.000 -2.387) 7.045 4.490 ( 3.010 -0.000 0.677) 3.085 4.864 ( 0.158 -0.000 -5.381) 5.383 5.139 ( -0.704 0.000 -6.096) 6.136 5.261 ( -3.015 0.000 2.204) 3.735 5.284 ( -0.121 0.000 -8.954) 8.955 5.486 ( 1.804 -0.000 -1.322) 2.237 5.609 ( -6.225 0.000 0.706) 6.265 5.690 ( -1.021 0.000 6.280) 6.362 5.736 ( -0.226 0.000 2.551) 2.560 5.748 ( 1.634 -0.000 -7.201) 7.384 5.943 ( -1.704 0.000 4.859) 5.149 6.105 ( 1.716 -0.000 -0.233) 1.731 6.215 ( 1.543 -0.000 11.826) 11.926 6.298 ( 2.182 -0.000 6.998) 7.330 6.337 ( -2.489 0.000 1.084) 2.715 6.847 ( -10.292 0.000 6.950) 12.419 7.933 ( 4.290 -0.000 -23.203) 23.596 8.040 ( -0.273 0.000 -7.187) 7.192 8.500 ( 0.759 -0.000 17.731) 17.747 9.351 ( 0.472 -0.000 -4.967) 4.989 9.406 ( 9.008 -0.000 20.083) 22.011 10.019 ( -4.808 0.000 -13.008) 13.868 11.094 ( -0.320 0.000 -11.648) 11.653 11.159 ( -0.402 0.000 -4.787) 4.804 16.961 ( 0.304 -0.000 0.242) 0.388 16.970 ( -0.206 0.000 0.293) 0.358 16.972 ( -0.171 0.000 0.901) 0.917 16.979 ( -0.037 0.000 0.084) 0.092 18.216 ( -0.078 0.000 0.229) 0.241 18.265 ( 0.014 -0.000 0.021) 0.025 18.297 ( 0.285 -0.000 -1.107) 1.143 18.316 ( 0.084 -0.000 -0.369) 0.378 30.805 ( 0.362 -0.000 0.601) 0.701 30.829 ( -0.374 0.000 0.804) 0.886 30.864 ( -0.058 0.000 0.018) 0.061 30.967 ( 0.006 -0.000 -0.163) 0.163 50.261 ( -3.145 0.000 6.478) 7.201 50.321 ( 3.854 -0.000 1.587) 4.168 50.453 ( -3.977 0.000 2.436) 4.664 50.600 ( -0.380 0.000 4.270) 4.287 ======================= Grid point 98 (40/84) ======================= q-point: ( 0.50 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( 4.390 -14.478 10.991) 18.700 1.118 ( 2.980 -9.912 9.172) 13.829 1.164 ( -2.371 -8.857 10.234) 13.741 1.527 ( -4.211 1.204 -1.280) 4.562 1.677 ( -3.677 -4.438 5.650) 8.070 1.800 ( 9.838 4.227 1.607) 10.827 2.003 ( -4.667 2.640 0.132) 5.364 2.203 ( 7.892 -9.702 -2.538) 12.761 2.344 ( 1.768 0.489 -5.130) 5.448 2.381 ( -1.323 -1.459 -2.722) 3.360 2.517 ( 1.933 1.251 -3.931) 4.556 2.548 ( 2.490 2.316 1.752) 3.825 2.608 ( -3.431 0.836 -1.966) 4.042 2.703 ( 1.957 -1.585 2.115) 3.289 2.779 ( -0.343 7.074 1.292) 7.199 2.911 ( 0.414 -1.880 8.950) 9.155 3.098 ( 0.711 -0.068 0.344) 0.793 3.139 ( 1.682 -0.230 2.840) 3.309 3.188 ( 1.986 -12.305 -1.781) 12.590 3.270 ( -3.432 -4.503 6.766) 8.823 3.304 ( -1.358 -8.334 1.336) 8.549 3.496 ( -6.558 4.288 1.443) 7.967 3.721 ( -2.310 1.307 -0.462) 2.694 3.909 ( -0.518 5.291 -1.785) 5.608 4.055 ( 7.714 -8.901 -0.065) 11.779 4.244 ( -7.316 -4.420 -3.223) 9.135 4.476 ( 0.430 3.277 1.061) 3.471 4.865 ( 0.622 -0.007 -4.069) 4.117 4.976 ( -1.135 11.943 -4.246) 12.726 5.363 ( 1.590 -10.212 -4.510) 11.276 5.407 ( -2.651 -9.349 -9.653) 13.698 5.509 ( 1.086 -0.558 -1.480) 1.919 5.588 ( -1.914 -3.174 1.824) 4.131 5.654 ( 1.632 5.834 -1.734) 6.301 5.686 ( -1.267 5.895 -1.674) 6.258 5.713 ( -2.287 -1.192 6.076) 6.600 5.976 ( 0.076 -3.066 5.845) 6.601 6.116 ( -0.083 0.347 -0.432) 0.560 6.215 ( 1.199 1.177 11.538) 11.659 6.270 ( -0.051 1.971 8.030) 8.268 6.394 ( 0.298 -5.711 0.884) 5.786 6.789 ( -5.655 -0.401 5.961) 8.226 7.855 ( 2.152 12.263 -14.240) 18.915 8.047 ( 1.033 0.456 -8.563) 8.637 8.529 ( 0.452 -7.740 14.471) 16.417 9.268 ( -0.278 9.753 -4.384) 10.697 9.622 ( 10.111 -12.605 13.933) 21.337 9.885 ( -7.589 8.040 -9.807) 14.779 10.983 ( 0.038 9.787 -13.559) 16.722 11.182 ( -0.537 -0.012 -3.202) 3.247 16.968 ( 0.192 -0.462 0.187) 0.534 16.971 ( -0.182 -0.357 0.342) 0.527 16.981 ( -0.083 -0.870 0.667) 1.099 16.983 ( -0.022 -0.506 0.056) 0.510 18.216 ( -0.059 -0.031 0.237) 0.246 18.264 ( 0.008 0.106 0.055) 0.120 18.293 ( 0.184 0.607 -0.876) 1.082 18.314 ( 0.049 0.271 -0.357) 0.451 30.808 ( 0.159 -0.111 0.531) 0.566 30.828 ( -0.176 -0.290 1.194) 1.241 30.865 ( -0.016 -0.116 0.343) 0.363 30.964 ( -0.083 0.404 0.389) 0.567 50.255 ( -1.175 -1.828 4.928) 5.386 50.399 ( 5.032 -4.831 1.686) 7.177 50.486 ( -5.605 -6.679 1.401) 8.831 50.642 ( -0.433 -4.720 2.599) 5.406 ======================= Grid point 99 (41/84) ======================= q-point: ( 0.62 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( -0.000 -2.382 3.545) 4.271 1.286 ( -0.000 -18.253 4.729) 18.856 1.461 ( -0.000 -16.024 11.067) 19.475 1.482 ( 0.000 0.255 -1.490) 1.512 1.692 ( 0.000 1.205 7.798) 7.890 1.844 ( -0.000 -3.947 -1.592) 4.256 1.902 ( 0.000 5.228 1.991) 5.594 2.343 ( 0.000 0.908 -4.146) 4.244 2.393 ( -0.000 -4.394 -8.063) 9.183 2.407 ( -0.000 -2.566 -2.507) 3.587 2.474 ( 0.000 7.294 -0.929) 7.353 2.490 ( 0.000 3.951 -1.867) 4.370 2.544 ( -0.000 -1.675 1.599) 2.316 2.743 ( -0.000 -0.306 3.405) 3.418 2.758 ( -0.000 -4.824 5.369) 7.218 3.003 ( -0.000 -8.066 3.608) 8.836 3.090 ( 0.000 1.773 -0.179) 1.782 3.194 ( -0.000 -4.928 5.165) 7.139 3.291 ( 0.000 0.360 -1.297) 1.346 3.415 ( -0.000 -11.517 -0.044) 11.517 3.437 ( -0.000 -6.179 -1.561) 6.373 3.449 ( -0.000 -3.625 6.109) 7.104 3.666 ( 0.000 4.311 -3.147) 5.337 3.781 ( 0.000 8.296 2.072) 8.551 4.244 ( 0.000 0.355 -5.889) 5.899 4.292 ( -0.000 -10.772 -1.597) 10.889 4.418 ( 0.000 1.358 3.110) 3.393 4.791 ( 0.000 7.838 -1.061) 7.910 4.879 ( -0.000 -1.268 -2.222) 2.559 5.371 ( 0.000 7.320 -9.168) 11.731 5.558 ( 0.000 3.563 0.528) 3.602 5.560 ( -0.000 -4.385 -8.198) 9.297 5.583 ( 0.000 1.519 -5.696) 5.895 5.606 ( -0.000 -7.983 -1.126) 8.062 5.711 ( 0.000 0.757 5.520) 5.572 5.733 ( -0.000 -10.679 1.298) 10.758 6.020 ( -0.000 -2.248 7.222) 7.563 6.098 ( 0.000 0.688 2.598) 2.688 6.193 ( 0.000 2.024 11.035) 11.219 6.250 ( 0.000 0.145 7.051) 7.053 6.522 ( -0.000 -8.934 0.397) 8.943 6.761 ( 0.000 1.149 3.700) 3.874 7.584 ( 0.000 17.983 -1.541) 18.049 8.040 ( 0.000 0.253 -7.423) 7.428 8.821 ( -0.000 -24.214 3.537) 24.471 9.025 ( 0.000 17.481 -3.636) 17.855 9.567 ( 0.000 17.342 -13.928) 22.243 10.007 ( -0.000 -18.235 14.039) 23.014 10.782 ( 0.000 12.725 -15.038) 19.700 11.136 ( 0.000 4.916 -0.500) 4.942 16.978 ( -0.000 -0.586 0.150) 0.605 16.979 ( -0.000 -0.613 0.337) 0.699 16.994 ( -0.000 -0.774 -0.019) 0.775 16.996 ( -0.000 -0.830 0.507) 0.972 18.217 ( -0.000 -0.080 0.226) 0.240 18.263 ( 0.000 0.012 0.103) 0.104 18.281 ( 0.000 0.802 -0.619) 1.013 18.308 ( 0.000 0.470 -0.309) 0.563 30.812 ( -0.000 -0.433 0.789) 0.900 30.839 ( -0.000 -1.161 1.821) 2.160 30.865 ( 0.000 0.162 0.961) 0.975 30.951 ( 0.000 1.020 1.520) 1.831 50.302 ( -0.000 -3.766 3.210) 4.948 50.550 ( -0.000 -5.817 0.498) 5.839 50.554 ( -0.000 -6.844 1.170) 6.943 50.748 ( -0.000 -7.602 0.618) 7.627 ======================= Grid point 108 (42/84) ======================= q-point: (-0.50 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( 0.000 -0.000 17.561) 17.561 1.005 ( 0.000 -0.000 19.353) 19.353 1.083 ( 0.000 -0.000 3.773) 3.773 1.547 ( 0.000 -0.000 -2.054) 2.054 1.599 ( 0.000 -0.000 4.272) 4.272 1.934 ( 0.000 -0.000 -1.071) 1.071 1.989 ( -0.000 0.000 2.209) 2.209 2.118 ( 0.000 -0.000 1.381) 1.381 2.350 ( 0.000 -0.000 -6.677) 6.677 2.366 ( 0.000 -0.000 -3.463) 3.463 2.550 ( 0.000 -0.000 -5.732) 5.732 2.557 ( 0.000 -0.000 2.209) 2.209 2.597 ( 0.000 -0.000 -1.815) 1.815 2.685 ( 0.000 -0.000 1.771) 1.771 2.902 ( -0.000 0.000 10.927) 10.927 2.957 ( 0.000 -0.000 -1.086) 1.086 2.995 ( 0.000 -0.000 -1.287) 1.287 3.101 ( 0.000 -0.000 0.817) 0.817 3.155 ( -0.000 0.000 2.696) 2.696 3.208 ( 0.000 -0.000 3.595) 3.595 3.210 ( 0.000 -0.000 6.662) 6.662 3.517 ( 0.000 -0.000 0.977) 0.977 3.723 ( 0.000 -0.000 0.990) 0.990 3.954 ( 0.000 -0.000 -3.422) 3.422 3.989 ( 0.000 -0.000 0.920) 0.920 4.178 ( 0.000 -0.000 -2.063) 2.063 4.514 ( 0.000 -0.000 0.786) 0.786 4.866 ( 0.000 -0.000 -5.649) 5.649 5.133 ( 0.000 -0.000 -6.289) 6.289 5.236 ( 0.000 -0.000 2.483) 2.483 5.286 ( 0.000 -0.000 -12.952) 12.952 5.524 ( 0.000 -0.000 -2.916) 2.916 5.533 ( 0.000 -0.000 4.841) 4.841 5.682 ( 0.000 -0.000 6.424) 6.424 5.735 ( 0.000 -0.000 0.765) 0.765 5.761 ( 0.000 -0.000 -7.694) 7.694 5.929 ( 0.000 -0.000 5.709) 5.709 6.117 ( 0.000 -0.000 -0.893) 0.893 6.230 ( 0.000 -0.000 11.610) 11.610 6.315 ( 0.000 -0.000 1.428) 1.428 6.316 ( 0.000 -0.000 7.733) 7.733 6.762 ( 0.000 -0.000 7.140) 7.140 7.967 ( 0.000 -0.000 -22.117) 22.117 8.038 ( 0.000 -0.000 -7.737) 7.737 8.506 ( 0.000 -0.000 17.915) 17.915 9.355 ( 0.000 -0.000 -4.327) 4.327 9.482 ( 0.000 -0.000 26.270) 26.270 9.975 ( 0.000 -0.000 -18.263) 18.263 11.092 ( 0.000 -0.000 -11.988) 11.988 11.156 ( 0.000 -0.000 -4.896) 4.896 16.965 ( 0.000 -0.000 0.133) 0.133 16.967 ( -0.000 0.000 0.389) 0.389 16.971 ( 0.000 -0.000 0.802) 0.802 16.978 ( 0.000 -0.000 0.049) 0.049 18.216 ( 0.000 -0.000 0.245) 0.245 18.266 ( 0.000 -0.000 0.037) 0.037 18.299 ( 0.000 -0.000 -0.990) 0.990 18.316 ( 0.000 -0.000 -0.378) 0.378 30.808 ( -0.000 0.000 0.281) 0.281 30.825 ( 0.000 -0.000 1.082) 1.082 30.863 ( 0.000 -0.000 -0.019) 0.019 30.967 ( 0.000 -0.000 -0.164) 0.164 50.236 ( 0.000 -0.000 6.220) 6.220 50.382 ( 0.000 -0.000 1.337) 1.337 50.391 ( -0.000 0.000 2.541) 2.541 50.600 ( 0.000 -0.000 2.564) 2.564 ======================= Grid point 138 (43/84) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( 0.000 0.000 15.655) 15.655 0.935 ( 0.000 0.000 21.105) 21.105 1.149 ( 0.000 0.000 1.038) 1.038 1.378 ( 0.000 0.000 27.619) 27.619 1.783 ( 0.000 0.000 -5.295) 5.295 1.957 ( 0.000 0.000 4.818) 4.818 2.125 ( 0.000 0.000 -1.335) 1.335 2.159 ( 0.000 0.000 0.482) 0.482 2.201 ( 0.000 0.000 -0.558) 0.558 2.280 ( 0.000 0.000 -0.300) 0.300 2.351 ( 0.000 0.000 -5.274) 5.274 2.540 ( 0.000 0.000 -10.524) 10.524 2.546 ( 0.000 0.000 6.131) 6.131 2.633 ( 0.000 0.000 3.751) 3.751 2.708 ( 0.000 0.000 5.529) 5.529 3.003 ( 0.000 0.000 8.766) 8.766 3.060 ( 0.000 0.000 -3.654) 3.654 3.235 ( 0.000 0.000 0.311) 0.311 3.296 ( 0.000 0.000 6.105) 6.105 3.453 ( 0.000 0.000 8.979) 8.979 3.604 ( 0.000 0.000 -3.897) 3.897 3.630 ( 0.000 0.000 10.259) 10.259 3.692 ( 0.000 0.000 -13.064) 13.064 3.738 ( 0.000 0.000 -5.442) 5.442 3.888 ( 0.000 0.000 -6.387) 6.387 4.307 ( 0.000 0.000 -8.609) 8.609 4.413 ( 0.000 0.000 6.184) 6.184 4.773 ( 0.000 0.000 -5.753) 5.753 5.047 ( 0.000 0.000 -4.534) 4.534 5.199 ( 0.000 0.000 -10.036) 10.036 5.499 ( 0.000 0.000 0.047) 0.047 5.532 ( 0.000 0.000 -0.491) 0.491 5.564 ( 0.000 0.000 -2.537) 2.537 5.739 ( 0.000 0.000 -6.444) 6.444 5.895 ( 0.000 0.000 5.400) 5.400 5.963 ( 0.000 0.000 3.849) 3.849 5.989 ( 0.000 0.000 2.291) 2.291 6.096 ( 0.000 0.000 -0.063) 0.063 6.228 ( 0.000 0.000 6.473) 6.473 6.435 ( 0.000 0.000 -1.350) 1.350 6.497 ( 0.000 0.000 20.050) 20.050 7.223 ( 0.000 0.000 1.939) 1.939 7.910 ( 0.000 0.000 17.207) 17.207 7.990 ( 0.000 0.000 -4.394) 4.394 8.295 ( 0.000 0.000 -16.946) 16.946 8.917 ( 0.000 0.000 27.897) 27.897 9.069 ( 0.000 0.000 -16.292) 16.292 10.334 ( 0.000 0.000 1.880) 1.880 10.880 ( 0.000 0.000 -17.512) 17.512 11.062 ( 0.000 0.000 -7.635) 7.635 16.961 ( 0.000 0.000 0.633) 0.633 16.982 ( 0.000 0.000 0.358) 0.358 16.985 ( 0.000 0.000 0.266) 0.266 17.012 ( 0.000 0.000 -0.829) 0.829 18.225 ( 0.000 0.000 0.192) 0.192 18.237 ( 0.000 0.000 -0.157) 0.157 18.272 ( 0.000 0.000 0.330) 0.330 18.302 ( 0.000 0.000 -0.503) 0.503 30.848 ( 0.000 0.000 2.708) 2.708 30.850 ( 0.000 0.000 0.731) 0.731 30.870 ( 0.000 0.000 0.169) 0.169 30.961 ( 0.000 0.000 -0.621) 0.621 50.253 ( 0.000 0.000 2.243) 2.243 50.372 ( 0.000 0.000 -1.078) 1.078 50.663 ( 0.000 0.000 6.522) 6.522 51.143 ( 0.000 0.000 -7.272) 7.272 ======================= Grid point 139 (44/84) ======================= q-point: ( 0.12 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( 10.319 -5.433 14.228) 18.397 1.026 ( 0.753 -9.381 17.203) 19.609 1.220 ( 4.972 -5.382 1.409) 7.461 1.532 ( 1.882 -15.102 22.004) 26.754 1.736 ( -7.679 -0.021 -1.732) 7.872 1.954 ( 4.840 3.546 2.013) 6.329 2.102 ( -5.557 -0.176 -0.402) 5.575 2.181 ( 1.816 0.096 -0.982) 2.067 2.213 ( -1.398 -1.495 1.509) 2.543 2.289 ( 1.611 -2.712 -0.512) 3.196 2.359 ( -4.142 -2.396 -5.898) 7.594 2.552 ( 1.010 1.503 3.867) 4.270 2.559 ( 2.515 -0.572 -9.165) 9.521 2.644 ( 1.755 -1.305 5.310) 5.743 2.733 ( 1.298 -2.220 4.505) 5.188 2.981 ( 0.134 1.129 6.564) 6.662 3.057 ( 0.436 0.649 -3.207) 3.301 3.206 ( -0.739 2.873 0.670) 3.041 3.302 ( -2.604 -1.081 5.996) 6.626 3.478 ( -2.463 -4.807 7.364) 9.133 3.544 ( 1.087 2.274 6.982) 7.423 3.628 ( 2.656 2.139 -7.297) 8.054 3.725 ( -3.872 -1.902 -5.148) 6.717 3.803 ( 3.217 -4.710 -3.693) 6.795 3.947 ( 0.101 -6.250 -6.279) 8.860 4.265 ( -0.189 3.321 -3.555) 4.868 4.516 ( -0.685 -8.919 -0.834) 8.984 4.745 ( -0.314 2.704 -4.745) 5.471 5.001 ( -0.709 3.867 -2.938) 4.908 5.213 ( -0.832 -0.090 -8.848) 8.887 5.452 ( -1.180 1.614 1.665) 2.602 5.500 ( 2.077 2.282 0.523) 3.130 5.624 ( -2.297 -4.611 -3.940) 6.485 5.713 ( -2.600 2.377 -4.947) 6.073 5.826 ( -0.579 4.532 4.096) 6.136 5.967 ( 0.711 0.542 1.948) 2.143 5.996 ( -0.518 -0.984 2.402) 2.647 6.150 ( 1.888 -2.682 -0.182) 3.285 6.282 ( -0.399 -5.544 6.476) 8.534 6.436 ( -0.941 -0.646 0.505) 1.248 6.494 ( 0.271 0.287 19.148) 19.152 7.258 ( 4.638 -1.112 -1.056) 4.885 7.791 ( -24.458 -0.250 9.648) 26.294 7.915 ( -1.129 7.557 -4.098) 8.670 8.378 ( 26.914 5.326 -11.312) 29.676 8.901 ( 0.133 0.023 25.685) 25.686 9.046 ( 1.723 3.559 -15.172) 15.678 10.389 ( -1.867 -6.839 2.178) 7.416 10.680 ( -1.055 16.020 -13.920) 21.249 11.138 ( -1.106 -3.601 -9.889) 10.582 16.966 ( 0.043 -0.557 0.545) 0.781 16.985 ( -0.030 -0.349 0.367) 0.507 16.988 ( -0.032 -0.398 0.267) 0.481 17.013 ( -0.381 -0.326 -0.687) 0.850 18.227 ( -0.058 -0.213 0.158) 0.272 18.238 ( 0.430 0.146 -0.202) 0.497 18.273 ( 0.008 -0.094 0.274) 0.290 18.299 ( 0.075 0.299 -0.456) 0.551 30.850 ( -0.163 -0.143 0.886) 0.912 30.861 ( -0.220 -1.459 2.956) 3.304 30.873 ( 0.032 -0.357 0.378) 0.520 30.990 ( -0.404 -2.605 -0.532) 2.690 50.283 ( 0.837 -2.903 2.165) 3.717 50.398 ( -0.000 -2.766 -0.993) 2.939 50.636 ( -0.774 1.302 7.622) 7.771 51.131 ( -6.922 -1.533 -7.207) 10.110 ======================= Grid point 140 (45/84) ======================= q-point: ( 0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( 12.636 -8.072 11.524) 18.911 1.234 ( 1.445 -12.651 10.282) 16.367 1.385 ( 6.017 -7.715 2.673) 10.143 1.683 ( -6.515 -2.597 -0.580) 7.037 1.823 ( 0.249 -8.251 7.602) 11.222 1.941 ( 6.545 -1.590 5.576) 8.744 2.028 ( -4.068 3.408 -2.431) 5.838 2.188 ( -6.443 -3.307 3.067) 7.865 2.239 ( -0.424 -1.454 2.740) 3.131 2.351 ( -4.440 -1.689 -5.366) 7.167 2.382 ( 3.159 -3.576 -0.202) 4.776 2.516 ( 0.176 1.787 2.100) 2.763 2.575 ( 2.586 1.790 -6.059) 6.827 2.682 ( -0.320 -1.941 1.961) 2.778 2.811 ( 3.295 -4.504 4.047) 6.894 2.997 ( 2.599 -1.295 1.040) 3.084 3.045 ( 0.146 1.073 -2.794) 2.997 3.155 ( -0.417 0.734 3.964) 4.053 3.303 ( -1.705 -2.395 4.924) 5.735 3.487 ( -0.123 2.641 2.380) 3.557 3.609 ( 0.219 -2.210 2.848) 3.612 3.630 ( 3.602 -4.168 -0.577) 5.539 3.715 ( -4.348 -0.726 -3.338) 5.529 3.872 ( -0.954 -1.894 -1.850) 2.814 4.066 ( -1.227 -6.473 -4.341) 7.889 4.190 ( 1.037 5.412 -4.566) 7.156 4.650 ( -2.298 -7.122 -3.578) 8.295 4.697 ( 0.986 2.287 -2.399) 3.458 4.934 ( -2.336 1.913 0.061) 3.020 5.155 ( 0.908 6.279 -4.685) 7.887 5.455 ( 0.926 -0.838 1.159) 1.704 5.499 ( -0.118 -2.308 0.664) 2.404 5.632 ( -3.184 2.047 -3.165) 4.934 5.678 ( -1.235 0.352 -0.369) 1.336 5.792 ( -1.027 -4.005 -3.653) 5.517 5.924 ( 0.949 5.009 -0.920) 5.181 6.026 ( -1.043 -1.742 2.100) 2.921 6.172 ( 0.492 0.740 2.382) 2.542 6.358 ( -0.073 -1.826 7.191) 7.420 6.446 ( -1.646 -0.899 8.577) 8.779 6.516 ( 2.137 -3.793 11.858) 12.632 7.280 ( 4.239 4.877 -3.200) 7.211 7.605 ( -23.652 -2.450 4.356) 24.175 7.749 ( 0.463 10.101 -2.880) 10.514 8.495 ( 26.541 6.235 -9.203) 28.775 8.952 ( -1.042 1.384 -6.855) 7.070 9.003 ( 1.440 -5.822 9.445) 11.188 10.377 ( -0.529 18.262 -16.105) 24.355 10.523 ( -2.653 -10.372 5.077) 11.849 11.132 ( -1.630 2.651 -7.089) 7.742 16.979 ( 0.072 -0.731 0.420) 0.846 16.992 ( -0.083 -0.466 0.374) 0.603 16.997 ( -0.043 -0.620 0.266) 0.676 17.016 ( -0.352 -0.317 -0.418) 0.632 18.231 ( -0.194 -0.326 0.088) 0.389 18.238 ( 0.519 0.287 -0.157) 0.614 18.275 ( -0.038 -0.167 0.136) 0.219 18.293 ( 0.176 0.480 -0.341) 0.615 30.854 ( -0.148 -0.445 1.170) 1.261 30.877 ( -0.132 -0.361 1.072) 1.138 30.894 ( -0.067 -2.128 3.311) 3.936 31.017 ( -1.138 -0.922 0.921) 1.730 50.357 ( 1.710 -4.151 1.991) 4.911 50.453 ( -1.247 -3.681 0.091) 3.888 50.648 ( 0.846 -2.997 5.501) 6.321 51.080 ( -8.219 0.427 -6.282) 10.353 ======================= Grid point 141 (46/84) ======================= q-point: ( 0.38 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( 11.281 -8.168 8.044) 16.083 1.450 ( 1.322 -10.587 4.059) 11.415 1.519 ( -1.465 -2.912 2.929) 4.382 1.700 ( -0.911 -1.138 5.549) 5.737 1.821 ( 1.666 0.221 -3.898) 4.245 1.946 ( 1.026 2.284 -2.960) 3.877 2.092 ( -2.077 -3.490 9.611) 10.433 2.181 ( -4.249 5.023 2.544) 7.054 2.198 ( -0.267 -3.312 0.754) 3.407 2.371 ( -2.898 -1.129 -0.003) 3.110 2.432 ( -2.224 -2.543 -1.965) 3.908 2.541 ( 2.917 -0.999 -1.835) 3.589 2.561 ( 0.232 -1.778 -4.159) 4.529 2.695 ( -0.159 0.539 0.615) 0.833 2.916 ( 3.478 -3.260 1.916) 5.137 3.013 ( -1.518 1.730 -0.548) 2.366 3.051 ( 2.932 -4.358 1.808) 5.555 3.224 ( 0.934 -7.452 4.563) 8.788 3.369 ( 3.711 -2.368 4.038) 5.973 3.412 ( 0.581 5.523 -1.354) 5.716 3.604 ( -0.883 1.132 -0.417) 1.495 3.675 ( -4.776 1.493 -2.224) 5.476 3.741 ( -0.556 -4.639 2.494) 5.296 3.845 ( -0.838 3.606 -0.007) 3.702 4.103 ( 2.542 1.391 -2.375) 3.747 4.147 ( -3.405 -1.054 -5.501) 6.555 4.688 ( 5.066 0.651 -2.213) 5.566 4.727 ( -4.982 -4.247 -3.653) 7.497 4.912 ( -3.441 -2.203 1.649) 4.406 5.044 ( 3.095 7.771 -1.345) 8.472 5.489 ( -1.302 -3.514 -0.581) 3.792 5.572 ( 0.069 -5.077 -0.060) 5.078 5.604 ( -0.646 -1.297 -0.969) 1.743 5.623 ( -0.285 3.946 0.260) 3.965 5.826 ( 1.427 6.657 -2.600) 7.287 5.869 ( -3.403 -1.601 -3.310) 5.010 6.033 ( 1.341 -2.007 0.025) 2.414 6.162 ( -0.087 0.785 1.950) 2.104 6.361 ( -0.159 0.157 10.265) 10.268 6.419 ( -2.291 1.686 12.452) 12.773 6.667 ( 4.776 -9.208 5.493) 11.737 7.128 ( -3.850 11.271 -0.510) 11.921 7.534 ( -12.105 -4.828 1.729) 13.147 7.610 ( 3.269 7.329 -0.618) 8.049 8.590 ( 19.584 3.551 -9.447) 22.031 8.836 ( -5.149 5.711 -12.459) 14.641 9.270 ( 0.653 -20.111 3.040) 20.350 10.036 ( -0.400 20.993 -13.905) 25.184 10.696 ( -1.334 -11.310 3.841) 12.019 11.034 ( -1.291 7.043 -2.934) 7.738 16.991 ( 0.116 -0.544 0.345) 0.655 16.998 ( -0.140 -0.273 0.360) 0.473 17.007 ( -0.029 -0.568 0.217) 0.608 17.018 ( -0.165 -0.054 -0.157) 0.234 18.234 ( -0.390 -0.325 0.038) 0.509 18.237 ( 0.529 0.316 -0.052) 0.618 18.278 ( -0.138 -0.244 -0.017) 0.281 18.286 ( 0.256 0.475 -0.227) 0.586 30.863 ( -0.104 -0.673 1.524) 1.669 30.878 ( -0.006 0.098 1.396) 1.400 30.933 ( 0.176 -2.214 3.698) 4.314 31.005 ( -1.211 0.949 2.493) 2.929 50.439 ( 2.506 -3.017 1.855) 4.339 50.492 ( -2.668 -2.485 1.492) 3.940 50.743 ( 3.474 -5.376 1.132) 6.500 50.989 ( -7.159 2.917 -4.543) 8.967 ======================= Grid point 142 (47/84) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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| 1.437 ( 3.315 -3.113 4.331) 6.280 1.437 ( -3.315 3.113 4.331) 6.280 1.620 ( 0.857 -7.584 2.006) 7.891 1.620 ( -0.857 7.584 2.006) 7.891 1.922 ( -3.035 -5.645 -0.266) 6.414 1.922 ( 3.035 5.645 -0.266) 6.414 2.073 ( -3.700 -2.863 5.531) 7.244 2.073 ( 3.700 2.863 5.531) 7.244 2.301 ( 2.256 -2.820 0.034) 3.612 2.301 ( -2.256 2.820 0.034) 3.612 2.493 ( -2.240 -5.363 -4.059) 7.089 2.493 ( 2.240 5.363 -4.059) 7.089 2.653 ( 0.039 -4.341 -0.747) 4.405 2.653 ( -0.039 4.341 -0.747) 4.405 2.968 ( 0.238 -0.334 0.105) 0.424 2.968 ( -0.238 0.334 0.105) 0.424 3.222 ( 1.281 -10.247 5.028) 11.486 3.222 ( -1.281 10.247 5.028) 11.486 3.391 ( -0.686 -5.661 0.673) 5.742 3.391 ( 0.686 5.661 0.673) 5.742 3.601 ( 2.382 -2.079 -1.496) 3.498 3.601 ( -2.382 2.079 -1.496) 3.498 3.789 ( -2.701 -3.179 0.702) 4.230 3.789 ( 2.701 3.179 0.702) 4.230 4.122 ( -6.353 -1.088 -3.127) 7.164 4.122 ( 6.353 1.088 -3.127) 7.164 4.726 ( -6.249 -1.077 -3.209) 7.107 4.726 ( 6.249 1.077 -3.209) 7.107 4.952 ( -4.258 -5.824 1.068) 7.293 4.952 ( 4.258 5.824 1.068) 7.293 5.551 ( -0.966 -4.481 -1.137) 4.723 5.551 ( 0.966 4.481 -1.137) 4.723 5.631 ( -0.177 -1.896 -0.927) 2.118 5.631 ( 0.177 1.896 -0.927) 2.118 5.794 ( -3.364 -1.286 -0.308) 3.615 5.794 ( 3.364 1.286 -0.308) 3.615 6.119 ( 0.452 -3.731 -1.092) 3.914 6.119 ( -0.452 3.731 -1.092) 3.914 6.373 ( 1.033 -1.328 12.098) 12.214 6.373 ( -1.033 1.328 12.098) 12.214 6.888 ( 5.674 -11.135 2.530) 12.751 6.888 ( -5.674 11.135 2.530) 12.751 7.546 ( -10.532 -6.129 0.828) 12.214 7.546 ( 10.532 6.129 0.828) 12.214 8.700 ( -11.658 1.285 -10.669) 15.855 8.700 ( 11.658 -1.285 -10.669) 15.855 9.653 ( 0.457 -22.804 -7.843) 24.119 9.653 ( -0.457 22.804 -7.843) 24.119 10.879 ( 0.158 -10.010 1.071) 10.068 10.879 ( -0.158 10.010 1.071) 10.068 16.998 ( -0.034 -0.114 0.334) 0.355 16.998 ( 0.034 0.114 0.334) 0.355 17.015 ( 0.028 -0.297 0.070) 0.306 17.015 ( -0.028 0.297 0.070) 0.306 18.236 ( -0.511 -0.304 0.011) 0.595 18.236 ( 0.511 0.304 0.011) 0.595 18.281 ( -0.253 -0.361 -0.134) 0.461 18.281 ( 0.253 0.361 -0.134) 0.461 30.873 ( -0.312 -0.544 1.645) 1.760 30.873 ( 0.312 0.544 1.645) 1.760 30.972 ( 0.131 -1.818 3.386) 3.845 30.972 ( -0.131 1.818 3.386) 3.845 50.490 ( -3.014 -0.280 1.811) 3.527 50.490 ( 3.014 0.280 1.811) 3.527 50.870 ( 2.955 -4.265 -2.141) 5.613 50.870 ( -2.955 4.265 -2.141) 5.613 ======================= Grid point 148 (48/84) ======================= q-point: ( 0.12 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( 17.446 -0.000 12.081) 21.221 0.952 ( 2.662 -0.000 19.979) 20.155 1.232 ( 9.434 -0.000 1.425) 9.541 1.422 ( 6.078 -0.000 23.075) 23.862 1.653 ( -11.489 0.000 1.009) 11.533 2.017 ( -8.515 0.000 0.957) 8.569 2.035 ( 3.970 -0.000 1.951) 4.424 2.212 ( -1.299 0.000 0.426) 1.367 2.228 ( 2.891 -0.000 -3.246) 4.347 2.240 ( 0.324 -0.000 -2.428) 2.450 2.299 ( -4.252 0.000 -4.254) 6.015 2.560 ( 1.217 -0.000 -9.615) 9.692 2.596 ( 5.072 -0.000 6.107) 7.939 2.646 ( 1.136 -0.000 4.339) 4.485 2.740 ( 3.932 -0.000 4.072) 5.660 2.983 ( -1.804 0.000 5.049) 5.362 3.071 ( 1.033 -0.000 0.222) 1.057 3.225 ( -1.250 0.000 0.287) 1.283 3.262 ( -3.927 0.000 5.222) 6.534 3.404 ( -4.451 0.000 7.044) 8.332 3.562 ( -5.875 0.000 9.704) 11.344 3.651 ( 5.407 -0.000 -2.894) 6.132 3.742 ( 4.815 -0.000 -10.704) 11.737 3.761 ( 0.556 -0.000 -3.771) 3.811 3.887 ( -0.686 0.000 -5.269) 5.314 4.291 ( -2.011 0.000 -8.362) 8.600 4.419 ( 0.887 -0.000 4.902) 4.981 4.763 ( -1.113 0.000 -6.120) 6.220 5.046 ( -0.255 0.000 -4.709) 4.715 5.182 ( -2.203 0.000 -10.029) 10.268 5.434 ( -4.754 0.000 1.122) 4.884 5.530 ( -3.107 0.000 -0.515) 3.149 5.583 ( 2.992 -0.000 -1.876) 3.532 5.713 ( -3.356 0.000 -5.735) 6.645 5.868 ( -2.169 0.000 5.756) 6.152 5.932 ( -2.258 0.000 5.263) 5.727 6.026 ( 3.577 -0.000 2.082) 4.138 6.128 ( -0.862 0.000 2.220) 2.381 6.233 ( 3.778 -0.000 4.288) 5.715 6.417 ( -2.065 0.000 -0.842) 2.231 6.499 ( 0.224 -0.000 19.151) 19.152 7.299 ( 8.123 -0.000 -2.067) 8.382 7.594 ( -24.435 0.000 7.352) 25.517 7.963 ( -3.078 0.000 -5.829) 6.592 8.661 ( 29.839 -0.000 -10.997) 31.801 8.919 ( 0.437 -0.000 26.952) 26.956 9.103 ( 3.765 -0.000 -13.420) 13.938 10.301 ( -4.125 0.000 4.391) 6.024 10.848 ( -3.412 0.000 -17.951) 18.273 11.054 ( -0.853 0.000 -7.928) 7.973 16.962 ( 0.099 -0.000 0.590) 0.599 16.981 ( -0.048 0.000 0.372) 0.375 16.984 ( -0.077 0.000 0.228) 0.241 17.005 ( -0.722 0.000 -0.349) 0.802 18.224 ( -0.069 0.000 0.244) 0.253 18.245 ( 0.830 -0.000 -0.528) 0.983 18.272 ( 0.038 -0.000 0.274) 0.277 18.302 ( 0.109 -0.000 -0.533) 0.544 30.841 ( -0.700 0.000 2.081) 2.196 30.852 ( 0.118 -0.000 1.340) 1.346 30.869 ( -0.119 0.000 0.121) 0.170 30.960 ( -0.073 0.000 -0.647) 0.651 50.266 ( 1.619 -0.000 2.236) 2.761 50.375 ( 0.309 -0.000 -0.708) 0.772 50.644 ( -2.359 0.000 6.127) 6.565 51.020 ( -13.142 0.000 -1.541) 13.232 ======================= Grid point 149 (49/84) ======================= q-point: ( 0.25 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( 14.928 -3.466 11.058) 18.898 1.068 ( 5.389 -8.487 15.908) 18.819 1.349 ( 9.875 -3.601 1.296) 10.590 1.557 ( -6.541 -4.682 1.368) 8.159 1.635 ( 4.915 -10.372 16.909) 20.437 1.952 ( -6.457 -0.146 0.842) 6.513 2.061 ( -2.369 -2.186 3.607) 4.838 2.119 ( -2.144 4.983 -2.379) 5.923 2.243 ( -1.131 0.392 -2.329) 2.618 2.287 ( 0.149 -1.893 -4.830) 5.190 2.331 ( 2.877 -4.281 -1.781) 5.456 2.569 ( 0.633 2.150 1.208) 2.546 2.596 ( 1.318 -0.171 -5.412) 5.573 2.687 ( 3.143 0.352 4.867) 5.804 2.769 ( 2.876 -1.733 3.868) 5.122 2.994 ( 1.794 -1.999 3.287) 4.244 3.067 ( 0.695 1.147 0.470) 1.421 3.185 ( -1.691 2.411 1.808) 3.455 3.241 ( -4.077 -1.590 4.233) 6.089 3.432 ( -3.017 -5.783 4.693) 8.036 3.532 ( -2.898 -1.811 10.179) 10.737 3.685 ( 0.977 0.777 -2.254) 2.577 3.704 ( 3.518 3.490 -8.121) 9.514 3.824 ( -0.349 -2.654 -2.535) 3.687 3.945 ( -0.563 -6.437 -3.670) 7.431 4.256 ( -1.092 1.923 -6.292) 6.670 4.500 ( -1.040 -6.935 0.082) 7.013 4.739 ( -0.394 1.543 -5.618) 5.839 4.978 ( -2.193 5.041 -2.784) 6.162 5.190 ( -1.857 -1.209 -8.966) 9.236 5.439 ( -0.582 -3.345 1.375) 3.663 5.528 ( 0.754 3.057 -1.809) 3.631 5.567 ( -3.773 -3.253 -2.261) 5.470 5.653 ( -4.268 2.584 -4.111) 6.465 5.810 ( -1.058 3.730 6.069) 7.201 5.962 ( -2.464 -3.287 4.125) 5.821 6.002 ( 1.900 2.709 1.410) 3.597 6.166 ( -0.585 -2.461 2.285) 3.409 6.306 ( 4.025 -3.715 3.966) 6.763 6.412 ( -1.884 -1.285 1.888) 2.961 6.498 ( 0.065 0.017 17.337) 17.338 7.372 ( 6.251 -1.090 -1.750) 6.583 7.400 ( -20.349 1.777 1.634) 20.492 7.887 ( -1.985 5.554 -6.608) 8.857 8.822 ( 23.670 5.973 -6.767) 25.332 8.917 ( 4.101 0.810 19.419) 19.864 9.090 ( 3.454 5.084 -10.641) 12.289 10.329 ( -5.682 -7.534 7.921) 12.321 10.656 ( -1.517 14.613 -17.560) 22.895 11.109 ( -2.171 -3.340 -9.324) 10.139 16.968 ( 0.119 -0.537 0.481) 0.731 16.984 ( -0.098 -0.330 0.374) 0.508 16.987 ( -0.096 -0.417 0.207) 0.476 17.004 ( -0.613 -0.516 -0.110) 0.809 18.225 ( -0.118 -0.154 0.263) 0.326 18.249 ( 0.810 0.306 -0.564) 1.034 18.273 ( 0.018 -0.053 0.171) 0.179 18.301 ( 0.145 0.268 -0.517) 0.600 30.842 ( -0.752 -0.622 1.388) 1.697 30.859 ( 0.078 -0.926 2.322) 2.501 30.873 ( -0.050 -0.562 0.374) 0.677 30.980 ( -0.682 -1.902 -0.348) 2.050 50.309 ( 2.371 -2.937 2.116) 4.327 50.396 ( -0.323 -2.040 0.474) 2.119 50.615 ( -1.784 -0.394 5.924) 6.199 50.958 ( -12.734 -4.000 -1.256) 13.407 ======================= Grid point 150 (50/84) ======================= q-point: ( 0.38 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( 12.284 -5.907 7.878) 15.743 1.286 ( 4.638 -11.161 10.114) 15.760 1.456 ( -0.339 -2.947 1.226) 3.210 1.601 ( -0.361 -6.853 3.887) 7.887 1.853 ( 3.411 -1.067 -1.044) 3.724 1.931 ( -5.669 -5.380 6.225) 9.992 2.042 ( -2.478 1.021 3.603) 4.491 2.104 ( 2.636 -4.552 0.459) 5.281 2.215 ( -2.761 1.242 -1.184) 3.251 2.320 ( 1.748 -1.206 -3.302) 3.926 2.409 ( -0.279 -1.659 -1.886) 2.527 2.525 ( 0.821 1.412 1.925) 2.525 2.593 ( -0.404 1.936 -4.432) 4.853 2.688 ( 1.276 -1.024 0.837) 1.837 2.863 ( 2.678 -4.948 4.984) 7.516 3.041 ( 0.697 1.580 1.803) 2.496 3.055 ( 3.352 -0.614 -0.725) 3.484 3.149 ( -0.075 -0.824 5.078) 5.144 3.300 ( 1.435 -6.816 1.436) 7.111 3.474 ( -1.662 -0.359 1.140) 2.047 3.581 ( -3.031 -4.585 6.718) 8.680 3.640 ( -4.738 1.039 -2.553) 5.481 3.687 ( 0.822 1.465 -2.660) 3.146 3.860 ( 0.323 -0.938 1.312) 1.644 4.041 ( -1.220 -5.001 -2.475) 5.712 4.204 ( 0.685 3.612 -6.479) 7.449 4.595 ( -4.356 -6.043 -1.707) 7.642 4.729 ( 2.710 0.251 -4.402) 5.175 4.882 ( -3.860 2.454 0.738) 4.633 5.166 ( 0.356 3.556 -7.253) 8.086 5.461 ( -0.518 1.845 -2.004) 2.773 5.497 ( -0.273 -2.877 0.319) 2.908 5.589 ( -1.649 0.188 -3.081) 3.500 5.640 ( -3.273 -2.895 -1.428) 4.597 5.776 ( -0.707 -2.983 0.993) 3.222 5.929 ( -1.319 3.812 3.868) 5.589 6.020 ( 1.057 -1.050 -0.919) 1.751 6.173 ( -0.564 0.435 2.223) 2.334 6.368 ( 1.495 0.002 8.025) 8.163 6.426 ( -0.575 -0.049 9.464) 9.481 6.543 ( 1.145 -6.833 8.997) 11.355 7.199 ( -17.633 4.043 0.221) 18.092 7.421 ( 3.721 0.413 0.252) 3.752 7.776 ( 2.609 6.598 -6.511) 9.630 8.872 ( 18.959 9.361 -12.226) 24.424 8.943 ( 0.507 3.997 -4.188) 5.812 9.025 ( 1.729 -3.847 10.016) 10.868 10.358 ( -2.072 15.113 -7.783) 17.125 10.477 ( -2.582 -9.806 -1.182) 10.209 11.101 ( -1.974 2.144 -6.712) 7.317 16.980 ( 0.108 -0.725 0.365) 0.819 16.990 ( -0.127 -0.456 0.359) 0.594 16.996 ( -0.087 -0.649 0.187) 0.681 17.010 ( -0.326 -0.534 -0.010) 0.626 18.227 ( -0.229 -0.197 0.253) 0.394 18.248 ( 0.701 0.421 -0.373) 0.898 18.274 ( -0.102 -0.087 0.063) 0.148 18.296 ( 0.182 0.423 -0.440) 0.637 30.848 ( -0.539 -0.709 1.358) 1.624 30.876 ( 0.099 -0.536 1.340) 1.447 30.893 ( -0.079 -2.030 2.725) 3.399 30.997 ( -1.167 -0.733 0.986) 1.694 50.392 ( 1.998 -4.017 1.952) 4.893 50.433 ( -0.332 -2.824 2.411) 3.728 50.663 ( 0.773 -5.353 2.229) 5.850 50.924 ( -10.275 -2.276 -2.453) 10.806 ======================= Grid point 151 (51/84) ======================= q-point: ( 0.50 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( 1.362 -4.772 4.262) 6.542 1.435 ( 0.656 -1.939 5.537) 5.903 1.518 ( 3.901 -6.866 2.956) 8.432 1.730 ( 3.404 -1.822 5.635) 6.831 1.809 ( -0.978 0.591 -3.479) 3.662 1.971 ( -3.588 -3.307 1.509) 5.108 2.007 ( -3.559 0.913 6.360) 7.345 2.153 ( 2.036 3.827 2.673) 5.092 2.257 ( 3.487 -6.091 -2.297) 7.385 2.330 ( -1.352 2.038 -2.061) 3.199 2.392 ( -1.317 -2.015 -2.713) 3.627 2.546 ( -2.640 -0.106 -3.619) 4.481 2.585 ( 2.345 -2.991 0.220) 3.807 2.711 ( 1.980 1.405 0.035) 2.428 2.956 ( 1.418 -3.478 2.772) 4.669 2.999 ( 0.270 3.299 0.180) 3.315 3.109 ( 4.221 -3.915 3.354) 6.663 3.246 ( 1.616 -7.761 4.641) 9.186 3.406 ( -0.493 7.044 1.629) 7.246 3.442 ( 3.871 -3.076 -2.254) 5.434 3.576 ( -1.958 0.318 -0.201) 1.994 3.582 ( -6.766 -0.244 0.415) 6.784 3.700 ( -3.188 -3.436 1.013) 4.795 3.838 ( -1.817 2.066 3.296) 4.293 4.073 ( -2.966 0.088 -5.455) 6.210 4.189 ( 6.051 0.402 -3.331) 6.919 4.633 ( -6.465 -3.547 -1.622) 7.550 4.768 ( 4.291 -1.010 -3.733) 5.777 4.847 ( -4.094 -1.983 2.445) 5.164 5.086 ( 1.915 6.050 -3.860) 7.427 5.473 ( -0.651 -3.186 -3.181) 4.549 5.547 ( -2.116 -4.888 -4.595) 7.035 5.597 ( -1.166 -0.898 2.255) 2.693 5.631 ( 1.283 0.746 -0.574) 1.591 5.816 ( -2.785 2.949 2.785) 4.920 5.852 ( 1.245 1.667 -0.661) 2.183 6.057 ( 1.776 -3.056 -2.575) 4.373 6.156 ( -0.801 1.176 0.826) 1.645 6.373 ( 1.874 0.077 11.621) 11.771 6.397 ( -0.361 2.018 11.943) 12.117 6.725 ( 2.416 -11.252 4.351) 12.304 6.981 ( -12.930 6.902 0.223) 14.659 7.424 ( -1.462 -0.242 4.936) 5.154 7.724 ( 8.526 4.389 -6.175) 11.405 8.735 ( -5.985 10.808 -7.977) 14.706 8.862 ( 12.909 8.021 -13.121) 20.079 9.280 ( 0.593 -19.895 2.974) 20.125 10.029 ( -0.468 20.786 -13.329) 24.697 10.674 ( -1.339 -13.086 4.428) 13.880 11.014 ( -1.102 6.280 -2.825) 6.974 16.992 ( 0.000 -0.522 0.302) 0.602 16.996 ( 0.004 -0.306 0.383) 0.490 17.006 ( -0.057 -0.617 0.068) 0.623 17.015 ( -0.119 -0.193 0.112) 0.253 18.228 ( -0.317 -0.193 0.235) 0.439 18.247 ( 0.633 0.403 -0.255) 0.792 18.274 ( -0.263 -0.177 0.012) 0.318 18.290 ( 0.183 0.441 -0.336) 0.583 30.858 ( -0.388 -0.831 1.670) 1.905 30.881 ( 0.302 0.081 1.359) 1.395 30.933 ( -0.221 -2.484 3.512) 4.307 30.989 ( -0.637 0.543 2.412) 2.553 50.446 ( -1.903 -2.344 2.758) 4.089 50.500 ( 4.136 -2.360 1.344) 4.948 50.784 ( 0.295 -6.790 -1.098) 6.885 50.872 ( -5.789 -0.028 -1.984) 6.119 ======================= Grid point 152 (52/84) ======================= q-point: (-0.38 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( -7.712 6.576 8.213) 13.045 1.539 ( 2.512 -2.334 2.991) 4.550 1.631 ( 3.665 5.263 1.677) 6.629 1.664 ( 3.103 -0.411 2.578) 4.055 1.813 ( -7.075 0.901 1.769) 7.348 1.946 ( -0.519 2.627 -2.595) 3.729 2.046 ( -0.501 -7.794 6.412) 10.105 2.176 ( 6.464 -1.305 4.404) 7.930 2.237 ( -1.972 2.374 -2.036) 3.697 2.384 ( 4.391 -1.890 0.872) 4.860 2.454 ( -1.851 -5.098 -4.730) 7.196 2.505 ( -1.109 2.356 -2.721) 3.766 2.656 ( 0.175 2.770 -2.559) 3.775 2.670 ( 1.895 -0.827 0.409) 2.108 2.937 ( -1.001 3.402 0.281) 3.557 3.004 ( 1.706 -1.273 -0.309) 2.151 3.190 ( -1.992 10.791 4.837) 11.992 3.253 ( 2.068 -4.935 4.620) 7.069 3.357 ( -3.491 -1.883 2.064) 4.471 3.392 ( 0.030 6.969 -1.175) 7.067 3.578 ( -0.412 -3.064 0.753) 3.182 3.648 ( 2.963 -5.024 -3.236) 6.671 3.739 ( -2.291 -4.252 0.918) 4.917 3.799 ( -2.064 0.132 4.105) 4.597 4.045 ( -2.923 -0.689 -5.619) 6.371 4.231 ( 6.644 2.000 -4.748) 8.408 4.622 ( -6.217 -1.681 -0.280) 6.447 4.809 ( 3.860 0.751 -4.352) 5.866 4.882 ( -3.857 -5.824 2.563) 7.440 5.006 ( 2.214 4.780 -0.714) 5.316 5.539 ( -0.433 -4.338 -2.997) 5.290 5.567 ( 0.781 2.408 0.459) 2.573 5.629 ( 0.306 0.284 -0.061) 0.422 5.639 ( 0.431 -0.871 -1.374) 1.683 5.713 ( -4.186 0.119 -0.763) 4.257 5.880 ( 4.797 -2.117 0.790) 5.303 6.074 ( -2.850 3.401 -2.076) 4.898 6.148 ( 1.218 -1.395 -1.318) 2.273 6.368 ( 0.295 0.848 11.869) 11.903 6.413 ( 3.672 -1.668 12.858) 13.475 6.762 ( -8.759 7.553 2.758) 11.890 6.950 ( 1.999 -11.698 2.670) 12.164 7.433 ( -3.814 -4.257 4.725) 7.415 7.756 ( 14.247 2.736 -6.026) 15.709 8.487 ( -13.690 8.172 -4.880) 16.674 8.853 ( 6.807 2.052 -13.883) 15.598 9.641 ( -0.562 13.914 -7.672) 15.899 9.663 ( 0.530 -13.672 -8.025) 15.862 10.863 ( -0.785 0.821 1.666) 2.016 10.896 ( 0.854 -3.062 0.448) 3.210 16.995 ( -0.128 0.062 0.299) 0.331 17.001 ( 0.150 -0.070 0.428) 0.459 17.014 ( -0.019 0.206 0.208) 0.293 17.015 ( 0.016 -0.368 -0.135) 0.393 18.229 ( -0.309 -0.210 0.187) 0.418 18.244 ( 0.478 0.418 -0.226) 0.674 18.277 ( -0.302 -0.355 -0.006) 0.466 18.284 ( 0.129 0.364 -0.198) 0.434 30.867 ( -0.305 -0.315 1.660) 1.717 30.880 ( 0.341 0.264 1.550) 1.609 30.955 ( -0.835 0.318 3.556) 3.667 30.990 ( 0.893 -1.285 3.280) 3.634 50.450 ( -1.715 0.249 2.432) 2.986 50.550 ( 4.069 0.804 0.376) 4.165 50.774 ( -5.784 2.075 0.486) 6.164 50.948 ( 3.644 -6.280 -4.051) 8.314 ======================= Grid point 153 (53/84) ======================= q-point: (-0.25 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( -5.718 10.351 12.365) 17.109 1.453 ( 1.723 11.741 4.871) 12.827 1.497 ( -2.967 8.844 4.623) 10.411 1.739 ( 2.123 -0.680 1.128) 2.498 1.768 ( -2.552 -4.092 -0.995) 4.924 1.971 ( 2.019 -3.766 -4.953) 6.541 2.061 ( -2.387 6.043 6.206) 8.985 2.245 ( 2.593 -3.830 4.917) 6.750 2.271 ( 4.894 -1.064 2.186) 5.465 2.401 ( 0.176 2.383 3.353) 4.117 2.437 ( -0.608 5.444 -0.528) 5.503 2.503 ( -1.640 -2.284 -7.036) 7.577 2.562 ( 0.502 4.674 -2.311) 5.238 2.713 ( 1.580 -0.260 0.828) 1.802 2.859 ( -2.882 4.086 1.561) 5.238 3.018 ( -1.048 4.639 0.732) 4.812 3.031 ( 0.357 -0.661 -2.654) 2.759 3.216 ( -0.114 7.369 4.222) 8.494 3.328 ( -1.294 -0.162 6.405) 6.537 3.402 ( -0.482 -4.935 -2.037) 5.360 3.605 ( -0.319 0.121 -0.610) 0.698 3.715 ( -0.052 1.564 -2.421) 2.883 3.745 ( 1.154 0.734 5.254) 5.429 3.865 ( 0.894 -5.108 -1.319) 5.351 4.069 ( -1.193 -4.741 -4.377) 6.562 4.198 ( 1.986 5.982 -7.020) 9.434 4.624 ( -2.390 -3.015 0.537) 3.885 4.785 ( 2.042 4.820 -4.851) 7.137 4.945 ( 0.603 0.417 0.938) 1.191 5.005 ( -1.244 -7.357 0.746) 7.499 5.513 ( 1.496 4.827 2.324) 5.562 5.550 ( -1.718 3.784 1.086) 4.295 5.621 ( 0.600 -3.156 -1.592) 3.586 5.629 ( 0.431 -1.625 -0.847) 1.882 5.812 ( -0.363 -7.310 -4.847) 8.779 5.915 ( 1.872 6.418 -6.597) 9.392 6.013 ( -0.990 -3.034 2.516) 4.064 6.163 ( 0.115 0.209 2.003) 2.017 6.367 ( 0.384 -0.185 9.811) 9.821 6.466 ( 3.155 -0.682 14.623) 14.975 6.584 ( -4.646 6.534 4.749) 9.318 7.141 ( -0.450 -8.964 1.040) 9.035 7.538 ( -1.596 -10.445 1.152) 10.628 7.857 ( 21.659 1.834 -4.871) 22.276 8.249 ( -22.170 2.678 -2.843) 22.512 8.896 ( 1.993 -2.652 -14.942) 15.306 9.262 ( -0.294 20.321 3.078) 20.554 10.041 ( 0.149 -21.053 -14.291) 25.446 10.712 ( 0.550 9.935 3.472) 10.539 11.050 ( 0.597 -7.584 -3.134) 8.228 16.989 ( -0.050 0.512 0.355) 0.625 16.999 ( 0.059 0.306 0.426) 0.528 17.007 ( 0.009 0.541 0.284) 0.611 17.020 ( 0.087 -0.090 -0.399) 0.418 18.231 ( -0.212 -0.221 0.092) 0.320 18.239 ( 0.203 0.445 -0.144) 0.510 18.279 ( 0.024 0.220 -0.021) 0.222 18.283 ( -0.129 -0.466 -0.106) 0.495 30.862 ( -0.049 0.471 1.437) 1.513 30.880 ( 0.082 0.024 1.282) 1.285 30.930 ( -0.108 1.777 3.922) 4.307 31.021 ( 0.615 -1.122 2.528) 2.834 50.411 ( -0.908 2.967 2.122) 3.759 50.533 ( 1.860 3.807 -0.992) 4.351 50.693 ( -2.164 3.180 4.316) 5.781 51.074 ( 3.004 -4.921 -6.612) 8.773 ======================= Grid point 154 (54/84) ======================= q-point: (-0.12 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( 0.000 10.032 14.608) 17.721 1.230 ( 0.000 13.662 11.810) 18.059 1.326 ( 0.000 8.660 1.679) 8.821 1.745 ( 0.000 1.285 -4.422) 4.604 1.848 ( 0.000 15.610 15.588) 22.061 1.853 ( -0.000 -5.407 2.603) 6.001 2.067 ( -0.000 -4.977 -3.894) 6.319 2.222 ( 0.000 5.139 2.479) 5.706 2.303 ( 0.000 0.932 1.187) 1.510 2.305 ( 0.000 5.355 4.003) 6.686 2.408 ( -0.000 -0.001 -4.534) 4.534 2.523 ( -0.000 -0.230 1.873) 1.887 2.533 ( -0.000 -1.700 -8.034) 8.212 2.689 ( 0.000 3.453 4.027) 5.304 2.779 ( 0.000 3.495 2.521) 4.309 2.976 ( 0.000 1.088 1.063) 1.521 3.042 ( -0.000 -0.764 -3.761) 3.838 3.159 ( -0.000 -1.243 3.473) 3.689 3.327 ( 0.000 0.364 7.140) 7.149 3.482 ( -0.000 -4.301 -0.435) 4.323 3.592 ( 0.000 0.193 -2.664) 2.671 3.610 ( 0.000 7.942 5.966) 9.933 3.760 ( 0.000 0.007 -2.536) 2.536 3.875 ( 0.000 3.534 -3.325) 4.852 4.076 ( 0.000 8.061 -7.048) 10.707 4.180 ( -0.000 -6.688 -2.270) 7.062 4.665 ( 0.000 3.454 -3.778) 5.119 4.694 ( 0.000 0.767 -1.995) 2.137 4.953 ( -0.000 -1.751 -0.280) 1.773 5.146 ( -0.000 -7.733 -3.301) 8.408 5.446 ( 0.000 2.271 2.022) 3.041 5.500 ( 0.000 1.758 0.760) 1.915 5.669 ( -0.000 -3.467 -3.067) 4.629 5.680 ( -0.000 -0.698 0.202) 0.727 5.801 ( 0.000 3.465 -5.524) 6.521 5.916 ( -0.000 -4.189 -1.856) 4.581 6.036 ( 0.000 1.644 2.182) 2.732 6.166 ( -0.000 -0.422 2.290) 2.328 6.361 ( 0.000 2.201 7.117) 7.450 6.470 ( 0.000 3.750 2.745) 4.647 6.487 ( -0.000 -0.253 18.303) 18.305 7.238 ( -0.000 -2.602 -1.006) 2.790 7.737 ( -0.000 -12.152 -2.136) 12.339 7.977 ( 0.000 5.203 12.335) 13.388 8.111 ( -0.000 -7.726 -16.279) 18.019 8.967 ( -0.000 -4.503 -15.785) 16.415 8.984 ( 0.000 10.693 16.853) 19.959 10.380 ( -0.000 -18.243 -17.947) 25.591 10.546 ( 0.000 9.325 6.107) 11.147 11.146 ( -0.000 -2.928 -7.348) 7.910 16.978 ( 0.000 0.729 0.441) 0.852 16.993 ( 0.000 0.477 0.392) 0.617 16.997 ( 0.000 0.610 0.290) 0.676 17.019 ( 0.000 0.184 -0.638) 0.664 18.232 ( 0.000 0.223 0.012) 0.224 18.234 ( -0.000 -0.025 -0.022) 0.033 18.275 ( 0.000 0.193 0.158) 0.249 18.292 ( -0.000 -0.512 -0.290) 0.589 30.854 ( 0.000 0.371 1.136) 1.195 30.878 ( 0.000 0.232 0.764) 0.798 30.895 ( 0.000 2.151 3.677) 4.259 31.027 ( 0.000 0.979 0.839) 1.289 50.343 ( 0.000 4.110 2.066) 4.600 50.463 ( 0.000 4.479 -1.399) 4.692 50.641 ( 0.000 1.705 7.326) 7.522 51.151 ( -0.000 -2.153 -8.498) 8.766 ======================= Grid point 157 (55/84) ======================= q-point: ( 0.25 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( 6.676 -0.000 18.537) 19.702 1.108 ( 11.980 -0.000 12.648) 17.421 1.410 ( 11.493 -0.000 0.700) 11.514 1.456 ( -9.504 0.000 3.081) 9.991 1.612 ( 14.082 -0.000 12.832) 19.051 1.881 ( -7.664 0.000 1.952) 7.909 1.999 ( -6.134 0.000 7.359) 9.580 2.169 ( -6.539 0.000 -6.993) 9.574 2.200 ( 1.178 -0.000 -6.265) 6.375 2.315 ( 3.005 -0.000 -0.469) 3.042 2.322 ( 6.955 -0.000 -1.798) 7.184 2.561 ( -1.000 0.000 -8.192) 8.253 2.650 ( -0.881 0.000 4.538) 4.623 2.678 ( 4.505 -0.000 5.655) 7.230 2.824 ( 6.179 -0.000 1.310) 6.317 2.953 ( -1.978 0.000 0.391) 2.016 3.092 ( 1.708 -0.000 5.369) 5.634 3.190 ( -4.366 0.000 3.882) 5.842 3.195 ( -2.238 0.000 1.322) 2.600 3.344 ( -2.946 0.000 5.739) 6.451 3.482 ( -3.981 0.000 9.429) 10.235 3.724 ( -5.246 0.000 -1.422) 5.436 3.761 ( 7.864 -0.000 -2.325) 8.201 3.814 ( 3.855 -0.000 -7.954) 8.839 3.857 ( -3.083 0.000 -1.300) 3.346 4.245 ( -3.732 0.000 -7.460) 8.341 4.445 ( 2.246 -0.000 1.719) 2.829 4.743 ( -1.310 0.000 -7.062) 7.183 5.036 ( -1.014 0.000 -5.212) 5.310 5.130 ( -4.015 0.000 -9.817) 10.607 5.366 ( -3.652 0.000 2.493) 4.422 5.494 ( -1.123 0.000 0.863) 1.416 5.611 ( 0.675 -0.000 -3.879) 3.938 5.644 ( -4.684 0.000 -4.611) 6.573 5.842 ( -1.091 0.000 6.463) 6.554 5.899 ( -2.122 0.000 6.957) 7.274 6.074 ( -3.887 0.000 5.061) 6.381 6.081 ( 2.925 -0.000 1.594) 3.331 6.331 ( 6.657 -0.000 2.148) 6.995 6.377 ( -2.576 0.000 -0.008) 2.576 6.500 ( -0.274 0.000 17.145) 17.147 7.232 ( -18.712 0.000 8.543) 20.570 7.449 ( 7.969 -0.000 -11.864) 14.292 7.909 ( -3.215 0.000 -8.413) 9.006 8.933 ( 1.223 -0.000 26.972) 26.999 9.101 ( 24.325 -0.000 -12.429) 27.316 9.171 ( 4.248 -0.000 -9.488) 10.395 10.204 ( -7.759 0.000 9.914) 12.589 10.794 ( -2.797 0.000 -19.668) 19.865 11.037 ( -1.203 0.000 -8.637) 8.720 16.964 ( 0.169 -0.000 0.478) 0.508 16.980 ( -0.096 0.000 0.416) 0.427 16.982 ( -0.154 0.000 0.109) 0.188 16.994 ( -0.554 0.000 0.294) 0.627 18.223 ( -0.055 0.000 0.359) 0.363 18.258 ( 0.741 -0.000 -0.747) 1.053 18.273 ( 0.089 -0.000 -0.013) 0.090 18.304 ( 0.111 -0.000 -0.594) 0.605 30.829 ( -0.648 0.000 1.544) 1.674 30.854 ( 0.132 -0.000 1.671) 1.677 30.866 ( -0.217 0.000 -0.016) 0.218 30.959 ( -0.044 0.000 -0.682) 0.683 50.304 ( 3.048 -0.000 2.243) 3.784 50.378 ( -0.106 0.000 0.924) 0.930 50.592 ( -4.063 0.000 5.178) 6.582 50.808 ( -11.593 0.000 3.663) 12.158 ======================= Grid point 158 (56/84) ======================= q-point: ( 0.38 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( 6.994 -7.578 15.477) 18.597 1.219 ( 6.981 -3.659 8.921) 11.904 1.401 ( -4.425 -1.451 5.878) 7.499 1.528 ( 6.397 -4.111 1.381) 7.729 1.773 ( 3.410 -5.875 6.953) 9.720 1.873 ( 0.693 -3.509 -1.114) 3.747 1.963 ( -3.488 -0.152 8.993) 9.647 2.111 ( -2.539 0.282 -5.838) 6.372 2.216 ( 1.197 -0.266 -4.379) 4.547 2.358 ( 3.258 -0.598 -1.611) 3.683 2.366 ( 3.002 -0.853 -2.680) 4.114 2.561 ( -1.594 0.431 -4.524) 4.816 2.602 ( -0.055 1.548 1.651) 2.264 2.723 ( 0.963 1.976 2.257) 3.151 2.810 ( 1.984 -0.801 3.612) 4.198 3.040 ( 3.708 -5.586 -0.622) 6.734 3.081 ( 1.298 2.066 5.652) 6.156 3.162 ( -0.723 1.428 3.354) 3.716 3.193 ( -1.651 -4.077 2.650) 5.135 3.381 ( -3.215 -5.402 2.613) 6.808 3.481 ( -3.759 -3.321 7.396) 8.936 3.640 ( -4.515 2.823 2.400) 5.841 3.749 ( -0.803 4.217 -4.185) 5.995 3.852 ( 3.630 -1.447 -0.485) 3.938 3.940 ( 1.740 -6.517 -2.160) 7.082 4.224 ( -3.130 -0.601 -7.604) 8.245 4.488 ( -0.331 -2.808 0.507) 2.872 4.738 ( 0.389 -0.584 -6.883) 6.918 4.935 ( -3.008 6.405 -2.860) 7.633 5.157 ( -2.190 -3.018 -10.175) 10.836 5.424 ( -1.483 -7.754 1.102) 7.971 5.504 ( -2.385 -2.268 -0.865) 3.403 5.543 ( -0.163 6.354 -3.727) 7.368 5.594 ( -2.762 1.139 -3.737) 4.785 5.800 ( -0.151 3.331 7.361) 8.081 5.909 ( -3.725 -1.828 6.780) 7.949 6.030 ( 1.395 0.072 0.887) 1.655 6.147 ( -1.520 -2.513 2.188) 3.662 6.383 ( 2.916 -2.839 1.266) 4.262 6.391 ( 1.520 -0.865 5.400) 5.676 6.492 ( -0.850 0.056 15.189) 15.212 7.088 ( -15.836 0.889 5.808) 16.891 7.500 ( 6.503 1.293 -10.579) 12.485 7.862 ( -1.003 2.733 -9.297) 9.742 8.921 ( 1.593 0.501 25.012) 25.067 9.127 ( 3.854 8.218 -8.415) 12.377 9.222 ( 17.616 7.090 -13.650) 23.386 10.219 ( -7.436 -8.958 14.323) 18.458 10.639 ( -0.667 12.874 -20.551) 24.260 11.077 ( -1.756 -2.925 -9.150) 9.765 16.970 ( 0.151 -0.500 0.375) 0.643 16.982 ( -0.130 -0.313 0.401) 0.525 16.985 ( -0.136 -0.448 0.119) 0.483 16.997 ( -0.326 -0.632 0.330) 0.784 18.224 ( -0.075 -0.069 0.394) 0.407 18.261 ( 0.598 0.314 -0.543) 0.867 18.273 ( 0.017 0.056 -0.166) 0.176 18.303 ( 0.099 0.233 -0.586) 0.638 30.830 ( -0.640 -0.633 1.295) 1.577 30.861 ( 0.175 -0.825 2.199) 2.355 30.871 ( -0.139 -0.728 0.235) 0.778 30.971 ( -0.422 -1.156 -0.251) 1.256 50.352 ( 2.234 -2.201 2.376) 3.934 50.391 ( 0.588 -2.066 2.889) 3.600 50.582 ( -2.430 -3.170 3.329) 5.200 50.775 ( -9.267 -4.427 1.602) 10.394 ======================= Grid point 159 (57/84) ======================= q-point: ( 0.50 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( -2.971 -4.033 4.587) 6.792 1.376 ( 7.418 -9.714 8.694) 14.999 1.441 ( 2.595 -3.803 5.711) 7.336 1.653 ( 3.830 -5.703 2.908) 7.460 1.838 ( -5.187 -4.511 6.834) 9.693 1.916 ( 2.446 4.777 -1.360) 5.536 1.945 ( -5.574 -4.254 5.751) 9.069 2.164 ( 2.751 -4.130 -5.894) 7.704 2.237 ( 4.662 -0.063 -2.214) 5.161 2.363 ( 0.257 2.511 -2.917) 3.857 2.387 ( 0.675 -0.144 -2.898) 2.979 2.511 ( -3.589 1.231 -2.781) 4.704 2.585 ( 0.424 0.966 1.741) 2.036 2.726 ( 3.313 -1.742 0.303) 3.755 2.883 ( -0.305 -4.876 5.049) 7.026 3.060 ( 2.074 2.096 1.448) 3.285 3.113 ( 2.761 -1.003 3.820) 4.819 3.170 ( 3.547 -1.896 4.319) 5.901 3.334 ( 2.240 -10.542 -1.961) 10.955 3.420 ( -5.360 -2.615 -1.775) 6.223 3.503 ( -7.663 -2.418 3.268) 8.675 3.589 ( 0.757 1.294 5.038) 5.256 3.672 ( -1.700 2.274 1.893) 3.413 3.848 ( -2.841 2.077 2.282) 4.194 4.062 ( 3.569 -2.415 -5.713) 7.156 4.217 ( 1.155 -1.133 -5.834) 6.054 4.520 ( -4.599 -3.357 0.864) 5.759 4.772 ( 2.277 -1.242 -4.916) 5.559 4.823 ( -3.037 2.498 0.543) 3.970 5.165 ( -0.355 1.527 -9.679) 9.806 5.446 ( -1.066 1.256 -3.790) 4.132 5.485 ( -0.983 -0.047 -3.393) 3.533 5.579 ( -0.917 -0.142 -0.535) 1.071 5.592 ( -1.510 -7.341 -1.596) 7.662 5.776 ( 0.782 -1.793 4.172) 4.607 5.884 ( -3.439 1.485 6.631) 7.616 6.057 ( 2.938 -0.368 -1.699) 3.414 6.150 ( -2.310 -0.362 1.131) 2.597 6.404 ( 2.714 1.023 10.093) 10.502 6.431 ( 0.943 1.362 10.755) 10.882 6.551 ( -0.041 -9.208 5.189) 10.569 6.945 ( -12.360 2.707 3.133) 13.035 7.492 ( 3.560 4.378 -3.434) 6.606 7.822 ( 2.654 2.152 -10.047) 10.613 8.936 ( 0.143 12.674 -5.213) 13.705 9.016 ( 0.796 -8.633 14.695) 17.062 9.153 ( 10.787 12.690 -14.831) 22.301 10.315 ( -2.705 5.852 3.553) 7.361 10.450 ( -0.813 -3.478 -10.094) 10.707 11.075 ( -1.224 1.779 -6.582) 6.927 16.982 ( 0.056 -0.666 0.283) 0.726 16.989 ( -0.034 -0.510 0.456) 0.685 16.994 ( -0.105 -0.683 0.049) 0.693 17.007 ( -0.147 -0.642 0.257) 0.707 18.224 ( -0.128 -0.080 0.394) 0.422 18.259 ( 0.585 0.413 -0.446) 0.843 18.271 ( -0.212 0.046 -0.057) 0.225 18.298 ( 0.091 0.380 -0.515) 0.646 30.839 ( -0.467 -0.906 1.466) 1.786 30.879 ( 0.252 -0.614 1.105) 1.289 30.891 ( -0.183 -1.926 2.612) 3.251 30.983 ( -0.571 -0.590 0.980) 1.279 50.390 ( -1.069 -2.467 3.868) 4.711 50.478 ( 4.880 -4.191 1.575) 6.623 50.656 ( -2.562 -6.603 0.523) 7.102 50.786 ( -5.776 -3.944 -0.434) 7.008 ======================= Grid point 160 (58/84) ======================= q-point: ( 0.62 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( -3.789 0.201 6.469) 7.500 1.507 ( 2.335 -2.988 2.626) 4.613 1.602 ( 5.771 -7.335 4.162) 10.219 1.745 ( -2.150 -1.521 1.970) 3.289 1.823 ( 1.187 7.059 1.016) 7.230 1.888 ( -2.610 -7.990 8.275) 11.795 1.976 ( -1.254 -0.602 4.996) 5.186 2.187 ( 0.652 0.935 -5.314) 5.435 2.264 ( -1.205 1.389 -3.646) 4.083 2.356 ( 4.911 -3.173 -4.333) 7.278 2.410 ( 1.203 -1.288 -1.256) 2.164 2.479 ( -4.895 -1.077 -1.533) 5.241 2.611 ( 0.913 -2.989 0.927) 3.260 2.744 ( 1.504 2.843 -0.904) 3.341 2.966 ( 0.160 -4.320 3.485) 5.553 3.018 ( 1.291 4.516 -0.271) 4.705 3.181 ( 4.101 -4.065 4.474) 7.305 3.263 ( 0.230 -4.256 2.936) 5.175 3.380 ( -1.813 6.620 -0.714) 6.901 3.463 ( -4.944 -4.434 3.560) 7.535 3.506 ( 2.524 0.520 -1.206) 2.845 3.558 ( -1.284 -4.840 -3.873) 6.330 3.687 ( 2.441 -1.483 5.988) 6.634 3.768 ( -5.947 1.440 5.455) 8.197 4.049 ( -0.408 2.535 -8.452) 8.833 4.290 ( 5.302 -1.471 -5.675) 7.904 4.534 ( -4.912 -2.943 2.198) 6.133 4.780 ( -1.644 -1.869 3.326) 4.154 4.833 ( 1.468 -1.435 -4.577) 5.017 5.103 ( 0.436 4.838 -5.459) 7.308 5.469 ( -0.035 -3.162 -4.911) 5.841 5.521 ( -0.912 -5.924 -6.660) 8.960 5.575 ( -1.011 -0.737 2.144) 2.482 5.649 ( 0.684 -0.152 -0.877) 1.123 5.785 ( -0.993 5.565 6.726) 8.786 5.861 ( 0.042 -3.448 1.395) 3.720 6.092 ( 2.391 -0.561 -2.506) 3.508 6.133 ( -1.944 -0.172 -1.612) 2.531 6.395 ( 0.353 1.981 12.913) 13.069 6.421 ( 2.688 -0.347 12.032) 12.334 6.748 ( 0.712 -11.860 3.141) 12.289 6.800 ( -7.581 4.351 2.031) 8.973 7.426 ( 0.508 4.095 4.615) 6.191 7.839 ( 4.504 -0.768 -11.099) 12.002 8.652 ( -3.310 16.947 -3.067) 17.538 9.006 ( 4.714 9.934 -15.124) 18.699 9.287 ( 0.228 -19.793 2.899) 20.006 10.023 ( -0.218 20.534 -12.889) 24.245 10.658 ( -0.556 -14.215 4.886) 15.041 11.002 ( -0.407 5.721 -2.851) 6.404 16.991 ( -0.050 -0.407 0.258) 0.485 16.997 ( 0.074 -0.421 0.523) 0.676 17.006 ( -0.043 -0.669 -0.120) 0.681 17.014 ( -0.040 -0.257 0.252) 0.362 18.225 ( -0.116 -0.109 0.354) 0.388 18.256 ( 0.415 0.474 -0.513) 0.812 18.270 ( -0.267 -0.153 0.161) 0.348 18.292 ( 0.060 0.419 -0.392) 0.577 30.853 ( -0.195 -0.916 1.727) 1.964 30.886 ( 0.200 0.041 1.210) 1.227 30.928 ( -0.283 -2.227 3.466) 4.130 30.985 ( -0.061 -0.123 2.397) 2.401 50.423 ( -0.764 -2.005 3.375) 4.000 50.577 ( 4.879 -1.888 -0.307) 5.241 50.714 ( -5.919 -3.437 0.885) 6.901 50.852 ( 0.604 -6.390 -2.444) 6.868 ======================= Grid point 161 (59/84) ======================= q-point: (-0.25 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( 0.000 7.324 10.745) 13.004 1.552 ( -0.000 -0.282 2.481) 2.497 1.677 ( 0.000 10.359 4.264) 11.202 1.714 ( 0.000 0.129 1.687) 1.691 1.726 ( -0.000 -2.413 0.924) 2.584 1.940 ( 0.000 0.853 -2.938) 3.060 2.039 ( -0.000 -7.655 6.419) 9.990 2.227 ( 0.000 1.902 1.226) 2.263 2.230 ( -0.000 -4.356 -0.636) 4.403 2.434 ( 0.000 0.112 3.072) 3.074 2.442 ( -0.000 -3.542 -7.991) 8.741 2.475 ( -0.000 -0.647 -0.515) 0.827 2.657 ( 0.000 2.356 -3.097) 3.891 2.692 ( -0.000 -0.272 0.085) 0.285 2.932 ( 0.000 5.435 0.476) 5.456 3.018 ( -0.000 -1.510 -0.680) 1.656 3.171 ( 0.000 11.891 4.164) 12.599 3.295 ( -0.000 -2.081 5.142) 5.547 3.297 ( -0.000 -2.745 2.575) 3.763 3.394 ( 0.000 7.586 -2.493) 7.986 3.577 ( -0.000 -4.859 1.325) 5.036 3.675 ( -0.000 -5.088 -4.847) 7.027 3.736 ( -0.000 -6.016 0.426) 6.031 3.754 ( -0.000 -1.084 9.093) 9.157 4.024 ( -0.000 -0.263 -7.343) 7.347 4.296 ( 0.000 3.442 -7.880) 8.599 4.561 ( -0.000 -2.777 2.999) 4.087 4.844 ( -0.000 -6.311 3.789) 7.361 4.845 ( 0.000 1.129 -5.299) 5.418 5.023 ( 0.000 4.414 -1.468) 4.652 5.536 ( -0.000 -4.525 -4.026) 6.057 5.574 ( 0.000 0.993 0.896) 1.337 5.638 ( 0.000 0.937 -0.725) 1.185 5.639 ( 0.000 1.183 1.591) 1.982 5.674 ( -0.000 -2.521 -2.558) 3.591 5.925 ( -0.000 -4.125 2.609) 4.880 6.045 ( 0.000 5.626 -3.797) 6.788 6.158 ( -0.000 -1.452 -1.726) 2.255 6.372 ( 0.000 0.727 11.885) 11.907 6.459 ( -0.000 -1.873 14.160) 14.283 6.670 ( 0.000 6.117 2.302) 6.535 6.964 ( -0.000 -11.563 2.669) 11.867 7.406 ( -0.000 -2.951 5.788) 6.497 7.908 ( -0.000 -3.989 -13.159) 13.751 8.342 ( 0.000 15.771 1.883) 15.883 8.909 ( 0.000 3.289 -14.937) 15.294 9.637 ( 0.000 13.959 -7.604) 15.896 9.668 ( -0.000 -13.617 -8.104) 15.846 10.856 ( 0.000 0.359 1.904) 1.938 10.903 ( -0.000 -3.531 0.181) 3.536 16.994 ( 0.000 0.055 0.295) 0.300 17.002 ( -0.000 -0.058 0.497) 0.500 17.014 ( 0.000 0.207 0.275) 0.344 17.015 ( -0.000 -0.446 -0.275) 0.524 18.227 ( -0.000 -0.171 0.254) 0.306 18.249 ( 0.000 0.503 -0.389) 0.636 18.274 ( -0.000 -0.398 0.113) 0.414 18.285 ( 0.000 0.373 -0.216) 0.431 30.864 ( -0.000 -0.348 1.654) 1.690 30.883 ( 0.000 0.296 1.465) 1.494 30.948 ( 0.000 0.108 3.668) 3.670 30.997 ( -0.000 -1.498 3.243) 3.573 50.436 ( 0.000 0.327 2.608) 2.628 50.596 ( 0.000 1.982 -1.905) 2.749 50.714 ( 0.000 0.322 3.235) 3.251 50.978 ( -0.000 -7.098 -4.792) 8.564 ======================= Grid point 166 (60/84) ======================= q-point: ( 0.38 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( 7.965 -0.000 18.048) 19.728 1.203 ( -0.656 0.000 7.243) 7.273 1.365 ( 0.707 -0.000 15.300) 15.317 1.522 ( 0.125 -0.000 -1.441) 1.447 1.749 ( -2.296 0.000 3.584) 4.257 1.833 ( 3.520 -0.000 1.761) 3.936 2.012 ( 11.327 -0.000 5.618) 12.644 2.074 ( -5.137 0.000 -4.762) 7.005 2.216 ( 0.171 -0.000 -6.404) 6.407 2.336 ( -0.913 0.000 -0.358) 0.981 2.422 ( 4.921 -0.000 -2.916) 5.720 2.540 ( -0.827 0.000 -5.927) 5.985 2.623 ( -1.984 0.000 3.444) 3.975 2.718 ( 0.100 -0.000 2.506) 2.508 2.917 ( 4.812 -0.000 -1.068) 4.929 2.929 ( -0.639 0.000 -1.483) 1.615 3.122 ( 1.448 -0.000 10.329) 10.430 3.140 ( -1.823 0.000 2.461) 3.063 3.179 ( 1.694 -0.000 3.064) 3.501 3.307 ( -1.805 0.000 4.753) 5.084 3.411 ( -6.534 0.000 5.201) 8.351 3.636 ( -3.612 0.000 5.316) 6.427 3.795 ( -4.198 0.000 1.969) 4.637 3.841 ( 1.581 -0.000 -7.722) 7.882 3.908 ( 8.164 -0.000 -0.504) 8.180 4.174 ( -5.044 0.000 -5.827) 7.707 4.485 ( 2.454 -0.000 -0.681) 2.547 4.726 ( -0.760 0.000 -8.141) 8.176 5.016 ( -1.261 0.000 -5.880) 6.013 5.066 ( -3.563 0.000 -10.222) 10.825 5.321 ( -1.970 0.000 3.783) 4.265 5.489 ( 0.090 -0.000 0.039) 0.098 5.580 ( -3.009 0.000 -3.466) 4.590 5.614 ( -0.139 0.000 -5.598) 5.600 5.831 ( -0.387 0.000 6.889) 6.900 5.867 ( -1.557 0.000 9.058) 9.190 6.023 ( -2.340 0.000 3.197) 3.962 6.110 ( 0.648 -0.000 0.984) 1.178 6.349 ( -0.789 0.000 1.027) 1.295 6.425 ( 4.753 -0.000 4.234) 6.366 6.490 ( -0.776 0.000 14.802) 14.823 6.989 ( -11.182 0.000 6.000) 12.690 7.554 ( 4.655 -0.000 -13.358) 14.146 7.870 ( -1.577 0.000 -10.055) 10.178 8.953 ( 1.065 -0.000 27.586) 27.606 9.227 ( 2.571 -0.000 -6.823) 7.292 9.422 ( 15.681 -0.000 -15.453) 22.016 10.069 ( -8.460 0.000 16.390) 18.445 10.763 ( -1.127 0.000 -21.174) 21.204 11.020 ( -0.849 0.000 -9.350) 9.389 16.967 ( 0.164 -0.000 0.328) 0.367 16.979 ( -0.111 0.000 0.501) 0.513 16.980 ( -0.124 0.000 0.003) 0.124 16.988 ( -0.209 0.000 0.567) 0.604 18.223 ( -0.012 0.000 0.463) 0.463 18.267 ( 0.282 -0.000 -0.106) 0.301 18.275 ( 0.146 -0.000 -0.816) 0.829 18.306 ( 0.051 -0.000 -0.643) 0.645 30.821 ( -0.330 0.000 0.987) 1.041 30.856 ( 0.091 -0.000 1.961) 1.963 30.863 ( -0.184 0.000 -0.177) 0.255 30.959 ( 0.006 -0.000 -0.683) 0.683 50.361 ( 4.042 -0.000 2.298) 4.649 50.370 ( -0.737 0.000 4.020) 4.087 50.520 ( -4.739 0.000 4.222) 6.347 50.676 ( -4.992 0.000 2.368) 5.526 ======================= Grid point 167 (61/84) ======================= q-point: ( 0.50 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( -1.803 -3.163 5.830) 6.874 1.263 ( 3.740 -6.530 15.398) 17.139 1.432 ( 6.090 -2.527 7.822) 10.230 1.539 ( -4.868 -6.068 6.103) 9.888 1.765 ( -1.535 -4.248 3.166) 5.516 1.859 ( 1.132 0.769 3.573) 3.826 1.998 ( -0.712 3.390 -1.493) 3.771 2.149 ( 8.203 -3.169 -2.845) 9.243 2.229 ( -0.950 -1.872 -5.426) 5.818 2.335 ( -2.912 -1.297 -1.173) 3.396 2.441 ( 3.282 1.207 -3.269) 4.787 2.533 ( -1.387 1.994 -4.921) 5.488 2.604 ( 0.203 0.563 2.633) 2.700 2.724 ( -0.353 -0.938 -0.071) 1.004 2.827 ( 0.181 1.578 3.522) 3.864 3.090 ( 1.910 -4.041 -2.293) 5.024 3.110 ( 1.807 0.179 9.568) 9.739 3.157 ( -0.860 -5.387 1.083) 5.562 3.214 ( 5.682 -0.815 3.405) 6.674 3.329 ( -4.588 -2.183 0.581) 5.114 3.381 ( -6.575 -4.309 5.272) 9.465 3.613 ( 1.116 0.216 9.908) 9.973 3.709 ( -2.953 4.437 -0.481) 5.352 3.863 ( -0.548 0.360 -2.593) 2.675 4.036 ( 7.752 -5.927 -2.383) 10.045 4.153 ( -5.704 -2.508 -5.995) 8.646 4.487 ( 0.005 1.170 0.260) 1.198 4.748 ( 0.575 -2.622 -7.504) 7.969 4.894 ( -1.640 7.277 -3.336) 8.171 5.128 ( -1.185 -4.323 -11.636) 12.470 5.401 ( -0.905 -9.640 2.114) 9.910 5.477 ( -0.954 1.535 -1.591) 2.408 5.542 ( -0.020 6.027 -5.221) 7.974 5.568 ( -0.652 -0.604 -2.742) 2.883 5.807 ( 1.024 3.091 8.370) 8.981 5.855 ( -2.653 -0.973 7.476) 7.992 6.046 ( 0.633 -3.111 1.297) 3.430 6.122 ( -1.237 -0.559 0.540) 1.461 6.390 ( 0.666 -4.852 3.144) 5.820 6.453 ( 2.709 0.151 6.031) 6.613 6.475 ( -1.000 0.884 13.525) 13.591 6.907 ( -6.277 1.505 4.640) 7.950 7.571 ( 2.281 1.650 -11.713) 12.046 7.854 ( -0.141 0.747 -10.829) 10.855 8.940 ( 0.703 0.305 26.015) 26.026 9.160 ( 0.958 9.327 -5.875) 11.065 9.436 ( 7.611 9.915 -18.552) 22.370 10.119 ( -4.113 -11.510 19.891) 23.346 10.633 ( -0.145 11.975 -21.628) 24.722 11.057 ( -0.651 -2.671 -9.259) 9.659 16.972 ( 0.081 -0.450 0.252) 0.522 16.980 ( -0.045 -0.339 0.549) 0.647 16.983 ( -0.084 -0.457 0.003) 0.465 16.994 ( -0.086 -0.661 0.480) 0.821 18.223 ( -0.020 -0.011 0.479) 0.479 18.267 ( 0.205 0.123 0.108) 0.262 18.273 ( 0.009 0.270 -0.916) 0.955 18.304 ( 0.028 0.214 -0.626) 0.662 30.823 ( -0.227 -0.505 1.042) 1.181 30.864 ( 0.088 -0.901 2.331) 2.500 30.869 ( -0.088 -0.783 0.045) 0.790 30.967 ( -0.122 -0.759 -0.217) 0.799 50.357 ( -0.429 -0.381 4.838) 4.872 50.442 ( 4.601 -4.206 2.228) 6.620 50.527 ( -4.533 -4.646 2.765) 7.055 50.680 ( -2.624 -3.535 0.687) 4.456 ======================= Grid point 168 (62/84) ======================= q-point: ( 0.62 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( -0.000 -3.092 4.987) 5.868 1.444 ( -0.000 -11.663 10.474) 15.675 1.475 ( -0.000 -1.551 -0.063) 1.552 1.692 ( -0.000 -10.823 11.493) 15.786 1.780 ( 0.000 3.143 0.576) 3.195 1.895 ( -0.000 -6.160 7.588) 9.774 1.933 ( 0.000 4.258 0.345) 4.272 2.226 ( 0.000 0.436 -8.019) 8.031 2.248 ( -0.000 -1.805 -5.560) 5.846 2.352 ( -0.000 -2.660 -2.265) 3.494 2.430 ( 0.000 6.192 -3.856) 7.294 2.448 ( -0.000 -0.022 -2.051) 2.051 2.593 ( 0.000 0.311 2.871) 2.887 2.765 ( -0.000 -1.546 -1.213) 1.965 2.871 ( -0.000 -5.673 6.061) 8.302 3.087 ( 0.000 2.479 -0.202) 2.487 3.127 ( -0.000 -2.403 8.242) 8.585 3.257 ( 0.000 0.132 -1.794) 1.799 3.312 ( -0.000 -4.477 4.534) 6.372 3.358 ( -0.000 -11.723 -3.991) 12.384 3.434 ( -0.000 -2.162 3.079) 3.762 3.609 ( 0.000 5.060 -1.697) 5.337 3.655 ( -0.000 -3.039 12.367) 12.735 3.811 ( 0.000 4.685 0.493) 4.711 4.100 ( 0.000 2.318 -8.753) 9.055 4.233 ( -0.000 -7.564 -4.660) 8.884 4.475 ( -0.000 -0.947 2.966) 3.113 4.787 ( 0.000 3.567 1.140) 3.745 4.802 ( -0.000 -2.716 -5.646) 6.265 5.161 ( 0.000 0.755 -10.876) 10.902 5.436 ( 0.000 0.669 -4.541) 4.590 5.476 ( 0.000 0.914 -4.740) 4.827 5.560 ( -0.000 -2.986 0.039) 2.986 5.590 ( -0.000 -5.582 -0.759) 5.633 5.790 ( -0.000 -1.891 4.698) 5.065 5.847 ( 0.000 1.436 7.307) 7.446 6.101 ( -0.000 -1.831 1.049) 2.110 6.110 ( 0.000 0.446 -1.745) 1.801 6.437 ( 0.000 2.354 13.275) 13.482 6.437 ( 0.000 0.643 10.499) 10.519 6.550 ( -0.000 -10.183 2.572) 10.503 6.839 ( 0.000 3.312 3.089) 4.529 7.521 ( 0.000 5.108 -4.073) 6.533 7.846 ( 0.000 0.196 -11.557) 11.559 8.938 ( 0.000 16.014 -4.581) 16.656 9.020 ( -0.000 -10.261 16.750) 19.643 9.242 ( 0.000 14.109 -17.042) 22.125 10.291 ( 0.000 1.660 7.363) 7.548 10.445 ( -0.000 -0.716 -12.677) 12.697 11.065 ( 0.000 1.654 -6.579) 6.783 16.982 ( -0.000 -0.605 0.234) 0.649 16.989 ( -0.000 -0.569 0.599) 0.826 16.993 ( -0.000 -0.700 -0.084) 0.705 17.005 ( -0.000 -0.666 0.333) 0.744 18.223 ( -0.000 -0.034 0.449) 0.450 18.266 ( 0.000 0.489 -0.882) 1.008 18.267 ( 0.000 0.005 0.318) 0.318 18.299 ( 0.000 0.363 -0.542) 0.652 30.835 ( -0.000 -0.946 1.460) 1.740 30.882 ( -0.000 -0.577 0.575) 0.814 30.889 ( -0.000 -1.936 3.017) 3.585 30.978 ( -0.000 -0.567 0.979) 1.131 50.380 ( -0.000 -2.303 4.428) 4.991 50.553 ( -0.000 -4.185 -0.420) 4.206 50.592 ( -0.000 -6.151 2.642) 6.694 50.749 ( -0.000 -5.437 -0.823) 5.499 ======================= Grid point 177 (63/84) ======================= q-point: (-0.50 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( 0.000 -0.000 5.482) 5.482 1.233 ( 0.000 -0.000 20.043) 20.043 1.398 ( 0.000 -0.000 18.879) 18.879 1.488 ( 0.000 -0.000 -3.932) 3.932 1.699 ( 0.000 -0.000 5.342) 5.342 1.905 ( 0.000 -0.000 -1.872) 1.872 2.019 ( 0.000 -0.000 -0.378) 0.378 2.178 ( 0.000 -0.000 4.805) 4.805 2.179 ( 0.000 -0.000 -10.538) 10.538 2.314 ( 0.000 -0.000 -0.917) 0.917 2.463 ( 0.000 -0.000 -3.401) 3.401 2.539 ( 0.000 -0.000 -4.140) 4.140 2.603 ( 0.000 -0.000 2.427) 2.427 2.706 ( 0.000 -0.000 0.142) 0.142 2.927 ( 0.000 -0.000 -1.606) 1.606 2.959 ( 0.000 -0.000 -2.260) 2.260 3.127 ( 0.000 -0.000 1.899) 1.899 3.130 ( 0.000 -0.000 11.666) 11.666 3.260 ( -0.000 0.000 8.178) 8.178 3.285 ( 0.000 -0.000 -0.383) 0.383 3.291 ( 0.000 -0.000 4.328) 4.328 3.620 ( 0.000 -0.000 9.814) 9.814 3.752 ( 0.000 -0.000 2.150) 2.150 3.851 ( 0.000 -0.000 -7.091) 7.091 4.001 ( -0.000 0.000 -0.246) 0.246 4.110 ( 0.000 -0.000 -5.038) 5.038 4.508 ( 0.000 -0.000 -1.225) 1.225 4.720 ( 0.000 -0.000 -8.643) 8.643 5.004 ( 0.000 -0.000 -6.230) 6.230 5.034 ( 0.000 -0.000 -10.753) 10.753 5.305 ( 0.000 -0.000 4.348) 4.348 5.490 ( 0.000 -0.000 -1.042) 1.042 5.555 ( 0.000 -0.000 -2.411) 2.411 5.612 ( 0.000 -0.000 -6.316) 6.316 5.828 ( 0.000 -0.000 7.098) 7.098 5.855 ( 0.000 -0.000 10.032) 10.032 6.004 ( 0.000 -0.000 2.026) 2.026 6.112 ( 0.000 -0.000 0.541) 0.541 6.346 ( 0.000 -0.000 1.657) 1.657 6.467 ( 0.000 -0.000 5.790) 5.790 6.482 ( 0.000 -0.000 13.680) 13.680 6.895 ( 0.000 -0.000 4.918) 4.918 7.592 ( 0.000 -0.000 -13.810) 13.810 7.858 ( 0.000 -0.000 -10.518) 10.518 8.962 ( 0.000 -0.000 27.848) 27.848 9.248 ( 0.000 -0.000 -5.868) 5.868 9.564 ( 0.000 -0.000 -20.921) 20.921 9.984 ( -0.000 0.000 23.083) 23.083 10.755 ( 0.000 -0.000 -21.649) 21.649 11.013 ( 0.000 -0.000 -9.648) 9.648 16.968 ( 0.000 -0.000 0.224) 0.224 16.977 ( 0.000 -0.000 0.578) 0.578 16.979 ( 0.000 -0.000 -0.024) 0.024 16.987 ( 0.000 -0.000 0.617) 0.617 18.223 ( 0.000 -0.000 0.503) 0.503 18.269 ( -0.000 0.000 0.307) 0.307 18.276 ( 0.000 -0.000 -1.248) 1.248 18.306 ( 0.000 -0.000 -0.661) 0.661 30.819 ( 0.000 -0.000 0.763) 0.763 30.857 ( 0.000 -0.000 2.076) 2.076 30.861 ( 0.000 -0.000 -0.248) 0.248 30.959 ( 0.000 -0.000 -0.676) 0.676 50.362 ( 0.000 -0.000 5.705) 5.705 50.415 ( 0.000 -0.000 1.888) 1.888 50.460 ( 0.000 -0.000 4.270) 4.270 50.638 ( 0.000 -0.000 0.775) 0.775 ======================= Grid point 207 (64/84) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( 0.000 0.000 11.456) 11.456 1.116 ( 0.000 0.000 -4.910) 4.910 1.305 ( 0.000 0.000 16.378) 16.378 1.566 ( 0.000 0.000 -9.439) 9.439 1.881 ( 0.000 0.000 15.886) 15.886 2.056 ( 0.000 0.000 4.986) 4.986 2.090 ( 0.000 0.000 -4.023) 4.023 2.136 ( 0.000 0.000 -2.793) 2.793 2.187 ( 0.000 0.000 -0.600) 0.600 2.225 ( 0.000 0.000 -6.000) 6.000 2.291 ( 0.000 0.000 1.818) 1.818 2.369 ( 0.000 0.000 -6.508) 6.508 2.683 ( 0.000 0.000 5.328) 5.328 2.700 ( 0.000 0.000 2.451) 2.451 2.840 ( 0.000 0.000 7.219) 7.219 2.969 ( 0.000 0.000 -5.657) 5.657 3.124 ( 0.000 0.000 7.643) 7.643 3.354 ( 0.000 0.000 9.367) 9.367 3.376 ( 0.000 0.000 -16.030) 16.030 3.438 ( 0.000 0.000 8.201) 8.201 3.519 ( 0.000 0.000 -6.933) 6.933 3.603 ( 0.000 0.000 -8.118) 8.118 3.616 ( 0.000 0.000 7.648) 7.648 3.757 ( 0.000 0.000 -6.931) 6.931 3.856 ( 0.000 0.000 12.483) 12.483 4.101 ( 0.000 0.000 -12.052) 12.052 4.537 ( 0.000 0.000 6.279) 6.279 4.657 ( 0.000 0.000 -6.019) 6.019 4.995 ( 0.000 0.000 -0.389) 0.389 5.043 ( 0.000 0.000 -5.407) 5.407 5.523 ( 0.000 0.000 -0.173) 0.173 5.530 ( 0.000 0.000 -0.964) 0.964 5.533 ( 0.000 0.000 3.258) 3.258 5.621 ( 0.000 0.000 -5.476) 5.476 5.979 ( 0.000 0.000 2.961) 2.961 6.005 ( 0.000 0.000 0.411) 0.411 6.036 ( 0.000 0.000 2.420) 2.420 6.078 ( 0.000 0.000 -1.687) 1.687 6.336 ( 0.000 0.000 4.350) 4.350 6.400 ( 0.000 0.000 -2.352) 2.352 6.897 ( 0.000 0.000 19.374) 19.374 7.181 ( 0.000 0.000 -8.009) 8.009 7.927 ( 0.000 0.000 -1.039) 1.039 8.006 ( 0.000 0.000 -10.274) 10.274 8.290 ( 0.000 0.000 20.917) 20.917 8.702 ( 0.000 0.000 -20.556) 20.556 9.518 ( 0.000 0.000 32.171) 32.171 10.110 ( 0.000 0.000 -25.514) 25.514 10.738 ( 0.000 0.000 4.389) 4.389 10.892 ( 0.000 0.000 -9.198) 9.198 16.976 ( 0.000 0.000 0.868) 0.868 16.987 ( 0.000 0.000 0.187) 0.187 16.988 ( 0.000 0.000 0.089) 0.089 16.994 ( 0.000 0.000 -0.954) 0.954 18.229 ( 0.000 0.000 0.225) 0.225 18.234 ( 0.000 0.000 -0.209) 0.209 18.280 ( 0.000 0.000 0.500) 0.500 18.291 ( 0.000 0.000 -0.575) 0.575 30.863 ( 0.000 0.000 0.551) 0.551 30.870 ( 0.000 0.000 -0.148) 0.148 30.900 ( 0.000 0.000 2.484) 2.484 30.940 ( 0.000 0.000 -1.558) 1.558 50.300 ( 0.000 0.000 2.402) 2.402 50.343 ( 0.000 0.000 -1.890) 1.890 50.812 ( 0.000 0.000 8.414) 8.414 50.983 ( 0.000 0.000 -8.748) 8.748 ======================= Grid point 208 (65/84) ======================= q-point: ( 0.12 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( 6.633 -5.427 10.899) 13.864 1.185 ( 4.320 -5.442 -4.258) 8.149 1.345 ( 0.993 -4.547 13.837) 14.598 1.573 ( -1.915 -2.050 -8.939) 9.369 1.955 ( -2.693 -6.334 14.062) 15.656 2.012 ( 0.116 2.641 3.917) 4.725 2.074 ( -3.222 3.307 -2.188) 5.109 2.169 ( 1.222 -5.916 -2.055) 6.381 2.213 ( -0.444 -3.496 -2.458) 4.297 2.232 ( -1.020 -1.211 -4.479) 4.750 2.304 ( -0.672 -2.065 2.651) 3.426 2.398 ( 1.643 -1.981 -6.826) 7.295 2.654 ( 1.135 3.388 5.410) 6.483 2.713 ( 1.203 0.449 0.452) 1.361 2.845 ( 0.738 -0.743 6.288) 6.374 2.961 ( -0.505 0.304 -5.246) 5.279 3.106 ( 0.758 2.108 8.000) 8.308 3.280 ( -0.699 4.382 -1.232) 4.606 3.389 ( -4.460 -1.247 1.993) 5.042 3.480 ( 3.529 -2.668 0.366) 4.439 3.520 ( 0.183 0.574 -3.861) 3.908 3.594 ( 1.757 -0.557 -3.793) 4.217 3.692 ( 0.247 -5.548 3.909) 6.791 3.814 ( 0.587 -6.114 -6.858) 9.206 3.872 ( -0.085 -1.639 10.363) 10.492 4.100 ( -0.777 0.497 -11.426) 11.463 4.566 ( -0.796 -3.453 4.271) 5.549 4.654 ( -0.811 -0.152 -4.592) 4.665 4.983 ( -0.658 0.643 1.391) 1.668 5.059 ( -0.736 -1.357 -6.242) 6.430 5.493 ( -0.728 0.484 2.435) 2.587 5.532 ( -0.359 0.236 2.677) 2.712 5.550 ( -0.927 -1.421 -3.090) 3.525 5.613 ( -1.476 0.858 -4.899) 5.188 5.909 ( 0.249 6.182 3.859) 7.292 5.966 ( 0.401 4.403 -1.774) 4.764 6.053 ( 0.496 -1.601 3.227) 3.636 6.115 ( 1.464 -2.686 -2.842) 4.175 6.387 ( -0.495 -5.208 3.954) 6.558 6.434 ( -0.528 -3.664 -0.959) 3.824 6.884 ( -0.386 1.203 19.156) 19.198 7.177 ( 0.839 0.958 -9.204) 9.292 7.841 ( -7.224 6.321 -1.332) 9.691 7.869 ( -14.896 4.308 -3.057) 15.805 8.371 ( 18.811 2.727 12.121) 22.543 8.700 ( 5.286 3.127 -18.593) 19.581 9.475 ( 0.445 4.312 30.964) 31.266 10.066 ( 0.309 5.675 -27.867) 28.440 10.711 ( -1.819 0.239 10.178) 10.342 10.928 ( -1.056 -3.101 -11.281) 11.747 16.980 ( -0.049 -0.453 0.794) 0.916 16.991 ( -0.093 -0.356 0.135) 0.392 16.992 ( -0.050 -0.417 0.079) 0.428 16.998 ( 0.034 -0.384 -0.799) 0.887 18.230 ( 0.035 -0.099 0.194) 0.221 18.234 ( 0.177 0.021 -0.197) 0.266 18.280 ( -0.009 0.023 0.442) 0.442 18.289 ( 0.026 0.164 -0.520) 0.546 30.866 ( -0.103 -0.386 0.694) 0.801 30.875 ( -0.070 -0.519 -0.168) 0.549 30.920 ( -0.216 -2.223 2.843) 3.615 30.967 ( -0.270 -2.735 -1.817) 3.294 50.328 ( 0.759 -2.767 2.325) 3.693 50.370 ( 0.532 -2.724 -1.840) 3.330 50.797 ( -1.740 0.499 8.723) 8.909 50.971 ( -3.275 -0.173 -8.791) 9.382 ======================= Grid point 209 (66/84) ======================= q-point: ( 0.25 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( 8.035 -7.507 9.575) 14.581 1.336 ( 4.335 -7.062 -2.147) 8.560 1.478 ( 2.690 -8.497 8.069) 12.023 1.622 ( -0.643 -5.131 -5.660) 7.666 1.885 ( -3.248 5.212 2.600) 6.668 1.949 ( -2.957 5.249 -3.550) 6.993 2.123 ( 1.044 -5.141 6.662) 8.479 2.223 ( -4.368 -1.536 -3.837) 6.014 2.276 ( -3.287 -6.264 4.367) 8.314 2.309 ( -1.266 -5.522 2.231) 6.089 2.366 ( 1.127 -5.148 -0.984) 5.361 2.442 ( 2.433 -0.315 -6.969) 7.389 2.591 ( 0.629 4.018 5.290) 6.673 2.683 ( -0.799 2.351 -2.837) 3.770 2.889 ( 3.357 -1.833 3.525) 5.202 2.965 ( 1.391 -0.359 -4.041) 4.289 3.089 ( 1.995 0.271 7.883) 8.136 3.226 ( 0.069 0.720 -2.272) 2.384 3.384 ( -2.714 -1.954 5.775) 6.674 3.502 ( -0.523 1.262 0.042) 1.367 3.548 ( 2.447 -1.758 -2.849) 4.147 3.617 ( 0.699 -0.443 -4.842) 4.912 3.788 ( -1.277 -4.878 8.382) 9.782 3.896 ( 0.396 -0.754 4.084) 4.172 3.948 ( 1.301 -7.180 -6.126) 9.527 4.054 ( -0.294 3.859 -8.787) 9.602 4.625 ( -1.702 -4.008 0.610) 4.397 4.654 ( -0.893 -0.695 -1.962) 2.265 4.967 ( -1.607 0.113 3.288) 3.661 5.054 ( -0.830 1.403 -5.218) 5.467 5.491 ( -2.305 0.037 2.539) 3.429 5.528 ( -1.155 -2.097 1.463) 2.806 5.568 ( -2.128 -0.370 -2.275) 3.137 5.615 ( -0.655 -5.381 -4.468) 7.025 5.802 ( 1.884 6.493 3.141) 7.455 5.873 ( 2.166 7.239 -3.628) 8.383 6.089 ( -0.574 -1.631 3.956) 4.317 6.161 ( 0.383 -1.100 -2.791) 3.024 6.473 ( -0.026 -4.230 3.955) 5.791 6.505 ( -0.141 -4.840 0.601) 4.879 6.854 ( -0.793 1.526 17.898) 17.981 7.149 ( -0.542 3.062 -11.042) 11.471 7.654 ( -11.649 3.735 1.534) 12.329 7.699 ( -5.806 5.765 -2.658) 8.603 8.449 ( 16.803 4.727 5.629) 18.340 8.668 ( 5.131 5.403 -14.706) 16.485 9.413 ( 0.645 2.496 24.882) 25.015 9.919 ( 0.344 11.082 -25.818) 28.098 10.735 ( -1.968 -4.565 11.821) 12.823 10.956 ( -1.442 -1.187 -10.468) 10.634 16.989 ( -0.062 -0.609 0.602) 0.858 16.997 ( -0.232 -0.497 0.009) 0.549 17.001 ( 0.008 -0.600 0.151) 0.619 17.006 ( 0.093 -0.461 -0.497) 0.684 18.233 ( 0.009 -0.145 0.118) 0.188 18.235 ( 0.250 0.061 -0.135) 0.291 18.279 ( -0.037 0.027 0.294) 0.297 18.286 ( 0.058 0.262 -0.382) 0.467 30.875 ( -0.055 -0.748 0.918) 1.185 30.885 ( 0.001 -0.696 -0.056) 0.698 30.962 ( -0.462 -2.657 3.192) 4.179 31.010 ( -0.829 -2.352 -1.522) 2.922 50.398 ( 1.428 -4.047 2.128) 4.790 50.436 ( 0.728 -3.978 -1.558) 4.334 50.782 ( -2.080 -0.753 7.733) 8.043 50.938 ( -4.548 0.352 -7.904) 9.126 ======================= Grid point 210 (67/84) ======================= q-point: ( 0.38 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 6.489 -6.525 7.142) 11.649 1.482 ( 3.026 -6.650 -1.503) 7.459 1.603 ( -3.121 -2.930 5.591) 7.041 1.720 ( -1.744 -1.313 -5.953) 6.341 1.798 ( 2.304 -1.367 4.374) 5.129 1.878 ( 2.918 1.033 -3.848) 4.938 2.199 ( -0.706 -1.540 0.261) 1.714 2.204 ( -1.607 -0.590 -0.049) 1.713 2.275 ( -3.146 0.978 8.155) 8.795 2.381 ( -4.729 -2.280 0.482) 5.272 2.406 ( -4.770 -0.148 -1.611) 5.037 2.440 ( 2.223 0.763 -5.181) 5.689 2.576 ( 2.197 -1.479 3.341) 4.263 2.658 ( 0.425 0.710 -3.972) 4.057 2.938 ( 2.923 -0.798 1.413) 3.343 2.978 ( 1.043 0.424 -2.387) 2.639 3.156 ( 3.376 -5.773 7.064) 9.728 3.275 ( 2.460 -4.626 -3.652) 6.387 3.406 ( -1.259 -1.535 6.039) 6.357 3.472 ( -0.922 1.099 2.795) 3.142 3.572 ( 0.841 0.297 -1.876) 2.077 3.613 ( -0.448 1.362 -3.945) 4.197 3.802 ( -3.870 0.217 3.539) 5.249 3.852 ( -1.217 5.637 -0.443) 5.784 4.032 ( 4.219 -0.822 -2.620) 5.034 4.056 ( -0.469 -3.615 -3.810) 5.273 4.658 ( 0.909 -0.714 -0.490) 1.255 4.672 ( -2.579 -2.454 -1.830) 4.002 4.960 ( -1.802 -1.016 2.875) 3.542 5.011 ( 0.299 2.738 -2.152) 3.495 5.489 ( -3.851 -3.266 0.948) 5.138 5.528 ( -4.151 -2.733 -2.781) 5.695 5.614 ( 1.092 0.792 1.641) 2.124 5.648 ( -1.080 1.365 -0.308) 1.768 5.764 ( 4.361 2.020 -0.217) 4.810 5.815 ( 3.041 -2.145 -3.495) 5.105 6.076 ( -1.009 1.770 3.826) 4.335 6.149 ( -0.749 2.349 -2.814) 3.741 6.529 ( 0.476 -2.380 6.082) 6.548 6.574 ( -0.646 -2.397 2.179) 3.303 6.839 ( 0.685 -0.892 11.778) 11.831 7.049 ( -3.840 6.106 -7.976) 10.754 7.564 ( -3.798 -0.070 1.733) 4.176 7.598 ( -2.839 1.933 -1.218) 3.644 8.488 ( 11.060 3.107 0.299) 11.492 8.602 ( 1.082 4.851 -10.224) 11.368 9.421 ( 0.471 -3.275 12.183) 12.624 9.717 ( 0.112 11.924 -16.985) 20.753 10.816 ( -0.963 -5.575 7.029) 9.023 10.945 ( -1.035 1.282 -5.865) 6.092 16.998 ( 0.002 -0.447 0.380) 0.587 17.003 ( -0.212 -0.314 0.036) 0.380 17.010 ( -0.026 -0.470 0.120) 0.486 17.013 ( 0.120 -0.242 -0.214) 0.345 18.235 ( -0.086 -0.139 0.050) 0.171 18.236 ( 0.249 0.089 -0.049) 0.269 18.279 ( -0.073 -0.024 0.112) 0.136 18.282 ( 0.083 0.247 -0.221) 0.342 30.889 ( 0.034 -0.746 0.980) 1.232 30.896 ( 0.059 -0.417 0.299) 0.516 30.998 ( -0.303 -1.826 2.672) 3.250 31.028 ( -0.939 -0.618 -0.241) 1.149 50.476 ( 1.758 -3.093 1.797) 3.986 50.502 ( 0.039 -2.810 -0.572) 2.868 50.794 ( -0.540 -1.881 4.048) 4.496 50.889 ( -3.997 1.251 -5.308) 6.761 ======================= Grid point 211 (68/84) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 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| 1.535 ( 2.213 -3.234 5.217) 6.525 1.535 ( -2.213 3.234 5.217) 6.525 1.618 ( 2.001 -6.131 -2.497) 6.916 1.618 ( -2.001 6.131 -2.497) 6.916 1.905 ( -1.448 -2.751 -0.682) 3.183 1.905 ( 1.448 2.751 -0.682) 3.183 2.175 ( -2.469 -0.062 3.489) 4.275 2.175 ( 2.469 0.062 3.489) 4.275 2.311 ( -0.890 -0.883 0.926) 1.559 2.311 ( 0.890 0.883 0.926) 1.559 2.421 ( -2.273 -2.929 -2.773) 4.630 2.421 ( 2.273 2.929 -2.773) 4.630 2.632 ( 0.389 -2.497 -0.966) 2.706 2.632 ( -0.389 2.497 -0.966) 2.706 2.966 ( -0.035 -0.475 -0.143) 0.497 2.966 ( 0.035 0.475 -0.143) 0.497 3.295 ( 1.453 -5.662 1.716) 6.092 3.295 ( -1.453 5.662 1.716) 6.092 3.443 ( -0.275 -3.587 3.446) 4.982 3.443 ( 0.275 3.587 3.446) 4.982 3.572 ( -0.611 -1.085 -1.027) 1.614 3.572 ( 0.611 1.085 -1.027) 1.614 3.778 ( -2.489 -2.145 -1.374) 3.562 3.778 ( 2.489 2.145 -1.374) 3.562 4.074 ( -3.877 -0.747 -1.388) 4.186 4.074 ( 3.877 0.747 -1.388) 4.186 4.677 ( -2.534 -0.516 -1.458) 2.969 4.677 ( 2.534 0.516 -1.458) 2.969 4.975 ( -1.535 -2.199 0.825) 2.806 4.975 ( 1.535 2.199 0.825) 2.806 5.539 ( -2.376 -4.588 -0.014) 5.167 5.539 ( 2.376 4.588 -0.014) 5.167 5.585 ( -1.700 -4.584 -2.324) 5.413 5.585 ( 1.700 4.584 -2.324) 5.413 5.831 ( 2.592 -2.773 2.298) 4.437 5.831 ( -2.592 2.773 2.298) 4.437 6.082 ( 0.657 -3.190 -1.804) 3.723 6.082 ( -0.657 3.190 -1.804) 3.723 6.569 ( 1.172 -1.341 6.369) 6.613 6.569 ( -1.172 1.341 6.369) 6.613 6.913 ( 3.438 -5.172 0.080) 6.211 6.913 ( -3.438 5.172 0.080) 6.211 7.565 ( -3.334 -1.660 0.791) 3.807 7.565 ( 3.334 1.660 0.791) 3.807 8.533 ( -4.365 0.733 -5.075) 6.734 8.533 ( 4.365 -0.733 -5.075) 6.734 9.532 ( 0.173 -8.995 -3.575) 9.681 9.532 ( -0.173 8.995 -3.575) 9.681 10.896 ( 0.145 -3.845 0.520) 3.883 10.896 ( -0.145 3.845 0.520) 3.883 17.003 ( -0.081 -0.064 0.180) 0.208 17.003 ( 0.081 0.064 0.180) 0.208 17.015 ( -0.085 -0.130 -0.008) 0.156 17.015 ( 0.085 0.130 -0.008) 0.156 18.236 ( -0.190 -0.112 0.008) 0.220 18.236 ( 0.190 0.112 0.008) 0.220 18.279 ( -0.099 -0.140 -0.062) 0.182 18.279 ( 0.099 0.140 -0.062) 0.182 30.898 ( -0.138 -0.240 0.745) 0.795 30.898 ( 0.138 0.240 0.745) 0.795 31.021 ( 0.059 -0.737 1.350) 1.539 31.021 ( -0.059 0.737 1.350) 1.539 50.520 ( -1.167 -0.100 0.952) 1.509 50.520 ( 1.167 0.100 0.952) 1.509 50.835 ( 1.078 -1.811 -1.085) 2.370 50.835 ( -1.078 1.811 -1.085) 2.370 ======================= Grid point 217 (69/84) ======================= q-point: ( 0.12 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( 13.106 -0.000 9.325) 16.085 1.196 ( 9.453 -0.000 -2.533) 9.786 1.313 ( 1.074 -0.000 13.438) 13.481 1.526 ( -4.338 0.000 -6.982) 8.220 1.876 ( -0.923 0.000 15.335) 15.363 2.033 ( -5.866 0.000 0.690) 5.907 2.047 ( -0.726 0.000 -0.319) 0.793 2.108 ( -4.348 0.000 -8.558) 9.599 2.216 ( 2.755 -0.000 0.233) 2.765 2.242 ( 3.114 -0.000 -2.005) 3.704 2.259 ( -2.478 0.000 4.256) 4.925 2.382 ( 0.810 -0.000 -8.098) 8.138 2.720 ( 3.841 -0.000 4.361) 5.812 2.725 ( 2.409 -0.000 2.896) 3.766 2.839 ( 0.050 -0.000 5.789) 5.789 2.949 ( -2.386 0.000 -4.916) 5.464 3.135 ( 1.414 -0.000 6.917) 7.060 3.316 ( -5.101 0.000 -4.943) 7.103 3.346 ( -0.838 0.000 8.521) 8.562 3.446 ( -0.792 0.000 -2.685) 2.800 3.559 ( 3.844 -0.000 -1.976) 4.322 3.602 ( -1.050 0.000 -4.476) 4.597 3.652 ( 4.911 -0.000 2.700) 5.604 3.762 ( 1.398 -0.000 -6.430) 6.580 3.851 ( -0.768 0.000 11.245) 11.271 4.089 ( -1.452 0.000 -11.875) 11.963 4.526 ( -1.219 0.000 5.794) 5.920 4.643 ( -1.713 0.000 -6.068) 6.305 4.988 ( -0.876 0.000 -0.742) 1.148 5.029 ( -1.742 0.000 -5.086) 5.376 5.471 ( -3.420 0.000 2.461) 4.213 5.511 ( -1.817 0.000 -1.337) 2.256 5.565 ( 0.982 -0.000 0.279) 1.021 5.610 ( -1.735 0.000 -4.283) 4.621 5.960 ( -1.382 0.000 3.295) 3.573 5.988 ( -1.194 0.000 0.609) 1.340 6.071 ( 3.343 -0.000 2.465) 4.154 6.118 ( 3.542 -0.000 -2.028) 4.082 6.325 ( -0.816 0.000 4.161) 4.240 6.387 ( -1.511 0.000 -2.228) 2.691 6.890 ( -1.076 0.000 19.312) 19.342 7.194 ( 0.969 -0.000 -10.360) 10.405 7.738 ( -20.203 0.000 6.053) 21.090 7.847 ( -8.233 0.000 -5.723) 10.027 8.579 ( 23.139 -0.000 4.485) 23.570 8.796 ( 10.083 -0.000 -15.147) 18.196 9.524 ( 0.788 -0.000 32.063) 32.073 10.115 ( 0.550 -0.000 -25.208) 25.214 10.703 ( -4.139 0.000 5.472) 6.861 10.876 ( -1.930 0.000 -9.874) 10.060 16.975 ( -0.077 0.000 0.736) 0.740 16.986 ( -0.266 0.000 -0.147) 0.304 16.988 ( 0.030 -0.000 0.258) 0.260 16.994 ( 0.001 -0.000 -0.568) 0.568 18.230 ( 0.091 -0.000 0.315) 0.328 18.237 ( 0.359 -0.000 -0.365) 0.512 18.280 ( -0.015 0.000 0.507) 0.507 18.291 ( 0.037 -0.000 -0.607) 0.608 30.860 ( -0.395 0.000 0.605) 0.722 30.868 ( -0.251 0.000 -0.201) 0.321 30.898 ( -0.161 0.000 2.497) 2.502 30.939 ( -0.131 0.000 -1.594) 1.599 50.312 ( 1.516 -0.000 2.309) 2.762 50.352 ( 1.117 -0.000 -1.657) 1.998 50.781 ( -3.697 0.000 7.584) 8.437 50.927 ( -6.516 0.000 -6.806) 9.422 ======================= Grid point 218 (70/84) ======================= q-point: ( 0.25 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( 13.149 -2.861 8.258) 15.788 1.309 ( 10.378 -3.044 1.054) 10.866 1.373 ( 2.241 -5.360 7.613) 9.577 1.525 ( -2.959 -3.826 -4.753) 6.781 1.885 ( -5.018 -0.740 7.280) 8.873 1.988 ( -6.821 1.438 -2.677) 7.468 2.029 ( 1.254 -3.158 3.451) 4.844 2.140 ( -3.286 -5.255 -5.255) 8.126 2.199 ( -1.918 0.491 4.557) 4.969 2.253 ( 3.057 -0.167 -0.796) 3.163 2.315 ( 2.545 -3.355 1.294) 4.405 2.421 ( 0.850 -3.060 -8.150) 8.747 2.675 ( 0.816 4.687 4.874) 6.811 2.735 ( 0.800 3.346 -0.498) 3.476 2.868 ( 1.945 -2.931 5.130) 6.220 2.956 ( 0.382 -2.101 -3.963) 4.501 3.129 ( 1.986 1.954 6.163) 6.764 3.256 ( -2.181 2.251 -2.908) 4.276 3.332 ( -2.399 -0.452 8.260) 8.613 3.461 ( -3.383 -2.208 -3.192) 5.148 3.577 ( 3.487 0.328 -1.840) 3.956 3.610 ( -0.637 -1.234 -3.008) 3.313 3.722 ( 4.449 -2.626 5.735) 7.719 3.840 ( 2.440 -6.154 -6.268) 9.117 3.866 ( -0.620 -2.317 8.430) 8.764 4.078 ( -1.908 0.279 -11.147) 11.313 4.544 ( -1.747 -3.093 3.755) 5.169 4.631 ( -1.771 -0.616 -5.082) 5.417 4.961 ( -2.157 1.104 1.358) 2.778 5.036 ( -2.201 -1.585 -6.183) 6.752 5.478 ( -0.998 -2.933 2.385) 3.910 5.514 ( -1.612 -1.018 -0.377) 1.944 5.530 ( -1.699 2.336 -0.802) 2.998 5.570 ( -3.539 1.799 -3.837) 5.521 5.915 ( 0.437 4.450 4.394) 6.269 5.978 ( 0.898 2.003 -1.926) 2.920 6.064 ( 0.566 0.769 4.462) 4.563 6.146 ( 1.631 -0.586 -3.464) 3.873 6.382 ( 0.507 -5.673 3.380) 6.623 6.423 ( -0.474 -4.471 -0.645) 4.542 6.866 ( -2.217 1.174 18.559) 18.728 7.180 ( -2.109 1.633 -12.757) 13.033 7.579 ( -14.077 1.395 9.245) 16.899 7.745 ( -6.826 3.844 -7.803) 11.057 8.704 ( 20.321 5.858 0.243) 21.150 8.832 ( 9.978 5.465 -11.203) 15.967 9.487 ( 0.965 4.352 30.669) 30.991 10.075 ( 0.713 5.763 -27.712) 28.313 10.658 ( -4.434 -0.900 11.806) 12.643 10.898 ( -2.457 -3.341 -11.908) 12.610 16.979 ( -0.084 -0.454 0.582) 0.743 16.987 ( -0.276 -0.372 -0.162) 0.491 16.992 ( 0.021 -0.415 0.301) 0.513 16.998 ( 0.003 -0.429 -0.388) 0.578 18.231 ( 0.096 -0.059 0.360) 0.377 18.239 ( 0.421 0.076 -0.441) 0.614 18.279 ( -0.039 0.035 0.466) 0.469 18.290 ( 0.044 0.154 -0.586) 0.608 30.862 ( -0.435 -0.578 0.785) 1.068 30.872 ( -0.232 -0.668 -0.250) 0.750 30.915 ( -0.298 -2.006 2.750) 3.417 30.960 ( -0.481 -2.297 -1.700) 2.897 50.352 ( 2.179 -2.722 2.112) 4.077 50.386 ( 1.500 -2.566 -1.266) 3.230 50.747 ( -4.360 -0.295 7.160) 8.388 50.880 ( -7.514 -1.147 -5.977) 9.670 ======================= Grid point 219 (71/84) ======================= q-point: ( 0.38 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( 8.318 -4.507 6.635) 11.556 1.439 ( 7.221 -3.200 -0.131) 7.899 1.495 ( -0.580 -6.722 7.050) 9.758 1.619 ( 1.789 -6.810 -3.305) 7.778 1.836 ( -1.655 2.022 1.941) 3.255 1.917 ( -1.413 1.314 -4.770) 5.145 2.129 ( -1.233 -5.795 2.362) 6.378 2.168 ( -1.118 -1.212 -0.668) 1.779 2.210 ( -4.684 -3.225 6.353) 8.527 2.293 ( -0.785 -2.876 -0.882) 3.109 2.376 ( -0.037 -1.062 -0.007) 1.063 2.455 ( -0.586 -0.103 -6.554) 6.581 2.612 ( 1.782 2.646 4.115) 5.206 2.680 ( 0.592 1.725 -2.169) 2.833 2.942 ( 2.964 -2.425 3.019) 4.876 3.001 ( 2.935 -0.428 -3.010) 4.226 3.129 ( 2.983 -0.720 6.286) 6.995 3.236 ( 1.171 -1.235 -2.057) 2.670 3.342 ( -2.581 -3.254 6.073) 7.357 3.455 ( -4.230 -1.006 -3.375) 5.505 3.597 ( 2.044 0.506 -0.496) 2.163 3.618 ( -0.653 -0.015 -1.619) 1.746 3.774 ( -0.245 -0.614 8.924) 8.949 3.901 ( 0.383 0.224 0.672) 0.806 3.962 ( -0.092 -5.739 -2.910) 6.435 4.056 ( 0.856 0.007 -7.978) 8.023 4.591 ( -2.381 -3.839 1.359) 4.718 4.644 ( -0.055 -1.725 -3.835) 4.205 4.929 ( -3.094 -0.050 3.990) 5.050 5.032 ( -1.939 0.102 -6.290) 6.583 5.445 ( -3.139 1.982 0.544) 3.752 5.478 ( -4.050 1.202 -2.258) 4.791 5.562 ( 0.609 -4.508 0.743) 4.609 5.596 ( -1.525 -5.579 -2.343) 6.240 5.837 ( 2.362 4.606 4.233) 6.687 5.920 ( 3.560 5.752 -3.760) 7.740 6.069 ( -2.157 -0.868 5.079) 5.586 6.158 ( -1.096 -0.160 -3.323) 3.502 6.486 ( 2.059 -4.112 3.747) 5.932 6.511 ( 1.190 -5.174 1.230) 5.450 6.824 ( -3.180 0.598 15.740) 16.070 7.091 ( -7.699 4.016 -10.511) 13.634 7.499 ( -4.869 -0.973 6.595) 8.255 7.640 ( -2.396 3.357 -7.315) 8.397 8.708 ( 14.379 9.191 -2.838) 17.300 8.766 ( 6.724 9.574 -7.758) 14.037 9.425 ( 0.736 2.742 24.585) 24.749 9.926 ( 0.382 11.387 -25.529) 27.956 10.695 ( -2.722 -6.225 12.760) 14.456 10.928 ( -1.933 -1.882 -10.670) 11.006 16.988 ( -0.065 -0.641 0.392) 0.754 16.993 ( -0.201 -0.529 -0.091) 0.574 17.001 ( -0.007 -0.580 0.333) 0.669 17.007 ( 0.036 -0.524 -0.278) 0.594 18.233 ( 0.030 -0.060 0.352) 0.358 18.241 ( 0.382 0.142 -0.406) 0.576 18.278 ( -0.084 0.046 0.362) 0.375 18.287 ( 0.050 0.243 -0.494) 0.553 30.873 ( -0.286 -0.964 1.054) 1.457 30.885 ( -0.045 -0.850 -0.144) 0.863 30.954 ( -0.487 -2.617 2.871) 3.915 30.995 ( -0.904 -2.121 -1.175) 2.588 50.430 ( 2.281 -3.810 1.736) 4.768 50.453 ( 1.482 -3.366 -0.344) 3.694 50.739 ( -3.049 -2.520 5.189) 6.525 50.846 ( -6.496 -1.315 -5.158) 8.398 ======================= Grid point 220 (72/84) ======================= q-point: ( 0.50 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( -0.035 -4.462 4.673) 6.461 1.532 ( -0.175 -3.922 0.694) 3.987 1.570 ( 5.274 -1.368 5.230) 7.552 1.698 ( 2.179 1.903 -6.729) 7.325 1.842 ( 1.802 -3.281 5.380) 6.554 1.936 ( 2.719 -1.169 -3.808) 4.823 2.154 ( -3.925 0.342 5.682) 6.914 2.191 ( -0.924 0.007 1.223) 1.533 2.231 ( -2.787 -5.534 0.187) 6.199 2.286 ( -5.482 0.155 -3.258) 6.379 2.377 ( 1.034 -1.411 2.039) 2.686 2.456 ( -0.382 -0.367 -5.017) 5.045 2.615 ( 2.344 -0.455 2.595) 3.526 2.675 ( 1.575 1.493 -3.100) 3.784 2.980 ( 2.160 0.373 0.913) 2.375 2.999 ( 1.443 2.254 -0.714) 2.770 3.214 ( 3.750 -5.244 6.185) 8.933 3.316 ( 2.045 -4.477 -2.336) 5.448 3.384 ( -1.454 -1.744 2.748) 3.565 3.448 ( -1.563 -2.198 -1.313) 3.000 3.581 ( -0.951 2.743 1.513) 3.273 3.594 ( -1.011 0.963 0.595) 1.517 3.747 ( -2.598 1.459 3.640) 4.704 3.843 ( 0.082 4.041 -4.313) 5.911 4.017 ( -3.654 -2.395 1.906) 4.767 4.102 ( 3.629 -1.176 -5.185) 6.437 4.629 ( -2.291 -2.668 1.383) 3.779 4.685 ( 2.131 -1.685 -4.050) 4.877 4.920 ( -2.997 -1.780 4.543) 5.726 5.009 ( -0.720 1.089 -4.249) 4.445 5.433 ( -2.911 -3.428 -0.485) 4.524 5.462 ( -3.733 -3.641 -3.346) 6.196 5.627 ( -0.056 -1.371 0.358) 1.418 5.628 ( -0.635 1.384 0.320) 1.556 5.834 ( 4.089 -0.692 1.923) 4.572 5.879 ( 4.678 2.783 -1.025) 5.539 6.046 ( -2.694 0.023 2.764) 3.859 6.124 ( -2.554 2.539 -3.657) 5.133 6.558 ( 3.418 -2.141 6.356) 7.528 6.581 ( 1.735 -0.568 4.748) 5.087 6.830 ( -1.895 -4.691 6.470) 8.213 6.947 ( -8.541 4.321 -4.171) 10.441 7.509 ( -1.510 -2.111 4.127) 4.875 7.604 ( 1.644 0.576 -5.723) 5.982 8.616 ( 1.603 9.645 -2.907) 10.200 8.654 ( 8.056 8.207 -6.878) 13.400 9.429 ( 0.399 -3.015 11.942) 12.323 9.719 ( 0.056 12.155 -16.628) 20.597 10.800 ( -0.932 -6.837 7.132) 9.923 10.928 ( -0.975 0.496 -5.710) 5.813 16.998 ( -0.083 -0.485 0.251) 0.552 17.001 ( -0.006 -0.403 -0.003) 0.403 17.010 ( -0.059 -0.426 0.282) 0.514 17.015 ( 0.049 -0.269 -0.167) 0.320 18.234 ( -0.059 -0.037 0.326) 0.333 18.241 ( 0.289 0.177 -0.346) 0.485 18.277 ( -0.116 -0.020 0.239) 0.266 18.283 ( 0.056 0.225 -0.362) 0.430 30.887 ( -0.203 -0.839 1.135) 1.426 30.897 ( 0.077 -0.449 0.185) 0.492 30.993 ( -0.361 -2.187 2.308) 3.200 31.015 ( -0.546 -0.988 0.099) 1.133 50.495 ( 0.001 -2.075 1.999) 2.881 50.516 ( 2.287 -2.047 -0.032) 3.069 50.782 ( -1.267 -3.984 1.115) 4.327 50.823 ( -3.542 -1.051 -2.695) 4.573 ======================= Grid point 221 (73/84) ======================= q-point: (-0.38 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( -3.430 3.861 7.827) 9.378 1.572 ( -1.592 1.659 -2.623) 3.488 1.645 ( 6.694 -0.141 2.283) 7.074 1.687 ( 4.549 -1.488 -0.561) 4.819 1.841 ( -5.684 2.724 1.788) 6.551 1.894 ( -2.256 5.750 -3.145) 6.931 2.164 ( 0.726 -4.787 4.919) 6.902 2.212 ( -0.456 -1.328 -0.418) 1.465 2.260 ( 0.851 -2.060 3.567) 4.206 2.330 ( -2.426 -5.497 -4.092) 7.269 2.428 ( 2.473 -2.288 0.172) 3.373 2.454 ( 1.796 0.657 -2.257) 2.958 2.624 ( -0.071 3.086 0.085) 3.088 2.653 ( 1.532 0.250 -1.914) 2.464 2.952 ( -0.416 2.750 1.263) 3.055 2.982 ( 0.606 1.008 -1.598) 1.984 3.265 ( -2.031 8.126 2.722) 8.807 3.306 ( 0.048 -0.907 -1.042) 1.382 3.419 ( -0.518 -1.543 5.891) 6.112 3.468 ( 0.477 1.678 6.052) 6.298 3.557 ( -0.399 -2.957 -4.261) 5.202 3.584 ( 0.287 -0.291 -1.398) 1.457 3.751 ( -0.768 -5.044 1.190) 5.239 3.821 ( 2.763 -0.387 -4.400) 5.210 3.999 ( -5.066 0.085 3.880) 6.382 4.117 ( 1.590 2.084 -6.576) 7.079 4.645 ( -1.258 -1.004 2.596) 3.054 4.717 ( 2.215 0.341 -4.502) 5.029 4.943 ( -1.992 -3.257 3.126) 4.935 4.989 ( 0.278 0.847 -1.423) 1.679 5.503 ( -1.760 -6.443 -0.101) 6.680 5.546 ( -1.445 -7.694 -4.362) 8.961 5.583 ( 1.370 3.080 1.017) 3.521 5.609 ( 1.121 2.640 -1.476) 3.226 5.801 ( -1.016 7.142 5.851) 9.289 5.888 ( 4.052 2.319 -1.787) 4.999 6.041 ( -3.280 -0.292 0.407) 3.318 6.094 ( -0.005 -3.741 -3.633) 5.215 6.569 ( 0.821 2.225 7.590) 7.952 6.614 ( 4.352 0.115 4.741) 6.436 6.829 ( -6.351 1.198 5.432) 8.443 6.946 ( 0.705 -7.868 -3.884) 8.802 7.530 ( -1.025 -1.827 4.945) 5.371 7.633 ( 4.190 -0.842 -5.892) 7.279 8.459 ( -3.933 6.787 2.764) 8.317 8.598 ( 3.109 3.338 -10.978) 11.888 9.527 ( -0.249 5.233 -3.133) 6.104 9.537 ( 0.204 -4.754 -4.020) 6.229 10.891 ( -0.252 0.793 1.066) 1.352 10.901 ( 0.279 -2.488 -0.038) 2.504 17.002 ( -0.076 -0.037 0.330) 0.341 17.006 ( 0.200 -0.112 -0.033) 0.231 17.013 ( -0.146 -0.087 0.101) 0.198 17.016 ( 0.032 0.141 -0.056) 0.155 18.234 ( -0.113 -0.025 0.264) 0.288 18.239 ( 0.162 0.203 -0.284) 0.385 18.277 ( -0.100 -0.148 0.104) 0.207 18.280 ( 0.051 0.123 -0.190) 0.232 30.894 ( -0.220 -0.086 0.990) 1.018 30.900 ( 0.065 0.125 0.424) 0.447 31.014 ( -0.280 -0.209 2.140) 2.169 31.030 ( 0.498 -0.913 0.626) 1.213 50.500 ( -0.922 0.883 2.519) 2.824 50.541 ( 1.089 1.055 -1.381) 2.051 50.803 ( -1.647 -0.600 2.488) 3.044 50.867 ( 1.571 -3.681 -3.923) 5.604 ======================= Grid point 222 (74/84) ======================= q-point: (-0.25 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( -2.342 8.952 10.555) 14.037 1.466 ( 0.432 8.661 -3.682) 9.421 1.605 ( -1.719 8.037 5.540) 9.912 1.699 ( -2.135 4.275 -3.890) 6.162 1.799 ( 0.970 -5.212 3.185) 6.184 1.877 ( 1.427 -4.429 -4.550) 6.508 2.177 ( -1.173 2.572 5.549) 6.228 2.264 ( 3.916 -1.692 -2.708) 5.053 2.316 ( 1.069 -1.858 2.040) 2.959 2.381 ( -3.042 -2.888 -4.665) 6.274 2.442 ( 1.799 3.154 2.414) 4.360 2.472 ( 1.946 2.971 1.106) 3.720 2.559 ( 0.177 2.039 2.798) 3.467 2.661 ( 0.474 -0.647 -5.541) 5.599 2.898 ( -1.636 2.416 2.792) 4.039 2.964 ( -0.622 0.855 -3.678) 3.827 3.113 ( -1.661 5.598 7.565) 9.557 3.249 ( -0.784 3.542 -4.696) 5.934 3.421 ( 0.554 1.175 7.703) 7.812 3.470 ( -0.708 -1.549 7.073) 7.275 3.570 ( 0.308 0.950 -4.450) 4.561 3.611 ( -0.334 -1.280 -6.407) 6.542 3.852 ( 1.649 -2.787 1.740) 3.676 3.882 ( 2.703 -0.930 4.302) 5.165 3.961 ( -3.977 -3.457 -3.505) 6.328 4.055 ( -0.325 5.547 -7.396) 9.251 4.651 ( -0.126 -0.396 2.138) 2.178 4.704 ( 1.188 2.649 -3.387) 4.461 4.975 ( 0.306 -0.192 1.913) 1.947 5.006 ( -0.242 -3.501 -0.845) 3.609 5.544 ( 2.456 2.568 1.656) 3.921 5.582 ( 2.271 1.464 -2.031) 3.380 5.596 ( -0.906 -0.658 3.106) 3.302 5.655 ( -0.377 -0.941 1.584) 1.881 5.711 ( -1.824 -6.261 -3.158) 7.246 5.783 ( -1.031 7.245 -6.297) 9.654 6.082 ( 0.027 -3.198 4.066) 5.173 6.153 ( 0.020 -2.052 -2.621) 3.328 6.531 ( 0.283 2.727 6.061) 6.652 6.590 ( 0.906 4.599 0.054) 4.688 6.820 ( -1.075 -2.577 15.915) 16.158 7.078 ( 0.473 -5.963 -8.630) 10.501 7.583 ( 0.406 -5.386 3.898) 6.661 7.703 ( 5.854 -3.089 -8.289) 10.608 8.332 ( -6.759 2.870 9.970) 12.383 8.590 ( -0.409 -0.990 -15.365) 15.403 9.415 ( -0.215 3.500 12.360) 12.848 9.716 ( -0.062 -11.727 -17.244) 20.854 10.827 ( 0.408 4.639 6.963) 8.377 10.958 ( 0.448 -1.851 -6.009) 6.304 16.998 ( -0.000 0.373 0.531) 0.649 17.006 ( 0.229 0.332 0.104) 0.416 17.010 ( -0.049 0.392 -0.142) 0.420 17.011 ( -0.126 0.294 -0.207) 0.381 18.233 ( -0.097 -0.023 0.146) 0.177 18.236 ( 0.047 0.211 -0.168) 0.274 18.279 ( 0.014 0.000 0.053) 0.055 18.281 ( -0.037 -0.235 -0.110) 0.262 30.888 ( -0.071 0.620 0.965) 1.149 30.895 ( -0.024 0.458 0.221) 0.509 31.002 ( 0.148 1.465 3.097) 3.429 31.040 ( 0.460 0.426 -0.613) 0.876 50.456 ( -0.663 3.299 2.408) 4.138 50.501 ( -0.031 3.653 -2.082) 4.205 50.801 ( 0.262 0.202 6.443) 6.452 50.936 ( 1.635 -2.594 -7.196) 7.822 ======================= Grid point 223 (75/84) ======================= q-point: (-0.12 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( 0.000 9.485 11.454) 14.871 1.303 ( 0.000 9.390 -4.642) 10.475 1.449 ( 0.000 7.889 10.282) 12.960 1.625 ( 0.000 3.366 -7.568) 8.283 1.912 ( -0.000 -6.529 3.421) 7.371 1.987 ( -0.000 -6.392 -4.125) 7.607 2.108 ( 0.000 5.547 10.424) 11.808 2.268 ( 0.000 2.629 -4.396) 5.122 2.301 ( 0.000 10.178 1.644) 10.310 2.331 ( 0.000 0.707 2.149) 2.262 2.359 ( 0.000 9.543 -1.311) 9.633 2.400 ( -0.000 -0.763 -5.136) 5.192 2.588 ( -0.000 -3.656 5.298) 6.437 2.694 ( -0.000 -1.810 -3.944) 4.339 2.856 ( 0.000 1.366 4.843) 5.032 2.955 ( -0.000 -0.162 -4.967) 4.970 3.071 ( -0.000 -0.758 8.996) 9.028 3.228 ( -0.000 -1.352 -2.341) 2.703 3.418 ( -0.000 -0.277 1.846) 1.866 3.473 ( 0.000 0.530 7.595) 7.613 3.546 ( 0.000 1.669 -6.266) 6.484 3.609 ( 0.000 1.177 -5.602) 5.724 3.802 ( 0.000 6.587 6.280) 9.101 3.891 ( 0.000 0.050 6.167) 6.167 3.935 ( 0.000 7.594 -7.097) 10.394 4.058 ( -0.000 -5.077 -8.986) 10.321 4.639 ( 0.000 3.574 0.588) 3.623 4.662 ( 0.000 0.860 -1.449) 1.685 4.980 ( -0.000 -0.203 2.982) 2.989 5.060 ( -0.000 -1.984 -4.809) 5.203 5.510 ( 0.000 3.509 4.447) 5.665 5.533 ( 0.000 0.366 2.663) 2.688 5.599 ( -0.000 -1.328 -3.798) 4.024 5.614 ( 0.000 5.563 -5.798) 8.035 5.785 ( -0.000 -7.296 2.870) 7.840 5.856 ( -0.000 -7.619 -3.771) 8.501 6.093 ( 0.000 1.972 3.435) 3.961 6.157 ( 0.000 1.633 -2.554) 3.031 6.475 ( 0.000 4.151 3.940) 5.723 6.507 ( 0.000 4.745 0.523) 4.773 6.858 ( -0.000 -1.917 18.445) 18.545 7.148 ( -0.000 -2.340 -9.600) 9.881 7.718 ( -0.000 -9.059 1.265) 9.147 7.829 ( -0.000 -7.314 -10.696) 12.957 8.268 ( 0.000 0.210 17.026) 17.028 8.623 ( -0.000 -3.157 -18.586) 18.852 9.407 ( -0.000 -2.373 25.026) 25.139 9.916 ( -0.000 -10.953 -25.943) 28.160 10.751 ( 0.000 3.887 11.436) 12.079 10.968 ( 0.000 0.887 -10.408) 10.445 16.990 ( 0.000 0.587 0.719) 0.928 16.999 ( 0.000 0.534 0.239) 0.586 17.001 ( 0.000 0.594 0.061) 0.597 17.005 ( 0.000 0.402 -0.802) 0.897 18.232 ( 0.000 0.114 0.043) 0.122 18.233 ( 0.000 0.046 -0.048) 0.066 18.279 ( -0.000 -0.020 0.270) 0.271 18.285 ( -0.000 -0.271 -0.329) 0.426 30.876 ( 0.000 0.669 0.893) 1.116 30.885 ( 0.000 0.645 -0.057) 0.647 30.966 ( 0.000 2.641 3.336) 4.255 31.017 ( 0.000 2.445 -1.698) 2.977 50.387 ( 0.000 4.086 2.302) 4.690 50.430 ( 0.000 4.196 -2.008) 4.652 50.799 ( 0.000 0.073 8.723) 8.723 50.976 ( -0.000 -1.116 -9.168) 9.236 ======================= Grid point 226 (76/84) ======================= q-point: ( 0.25 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( 10.142 -0.000 6.831) 12.228 1.330 ( 2.617 -0.000 10.814) 11.127 1.394 ( 12.701 -0.000 -1.847) 12.835 1.475 ( 1.554 -0.000 -2.150) 2.653 1.839 ( -3.674 0.000 8.869) 9.600 1.917 ( -7.833 0.000 1.076) 7.906 2.040 ( -3.584 0.000 -5.225) 6.336 2.044 ( -0.311 0.000 -4.129) 4.141 2.198 ( -1.252 0.000 8.206) 8.301 2.306 ( 5.271 -0.000 -0.035) 5.271 2.306 ( 4.271 -0.000 -0.585) 4.311 2.385 ( -0.139 0.000 -9.365) 9.366 2.739 ( -1.534 0.000 3.943) 4.231 2.768 ( 0.898 -0.000 1.973) 2.168 2.858 ( 2.534 -0.000 2.009) 3.234 2.908 ( -1.894 0.000 -3.170) 3.693 3.169 ( 2.626 -0.000 4.928) 5.584 3.240 ( -4.154 0.000 -0.068) 4.154 3.333 ( -0.664 0.000 7.889) 7.916 3.416 ( -2.589 0.000 0.221) 2.599 3.558 ( -4.067 0.000 0.221) 4.073 3.617 ( 3.370 -0.000 -7.261) 8.005 3.761 ( 7.871 -0.000 0.161) 7.873 3.803 ( 2.948 -0.000 -3.486) 4.565 3.831 ( -1.471 0.000 10.957) 11.055 4.059 ( -2.223 0.000 -11.215) 11.433 4.504 ( -1.324 0.000 4.305) 4.503 4.608 ( -2.327 0.000 -6.277) 6.694 4.965 ( -2.054 0.000 -1.627) 2.620 4.988 ( -3.367 0.000 -4.264) 5.433 5.426 ( -2.167 0.000 3.539) 4.150 5.487 ( -0.937 0.000 -1.853) 2.076 5.559 ( -1.462 0.000 -1.441) 2.053 5.564 ( -3.584 0.000 -2.531) 4.388 5.946 ( -0.496 0.000 3.726) 3.759 5.976 ( -0.313 0.000 0.921) 0.973 6.122 ( 2.364 -0.000 2.292) 3.293 6.143 ( -1.318 0.000 1.104) 1.720 6.344 ( 3.992 -0.000 0.333) 4.006 6.363 ( -0.908 0.000 -1.183) 1.491 6.854 ( -3.582 0.000 17.858) 18.214 7.160 ( -7.219 0.000 -12.681) 14.592 7.502 ( -7.189 0.000 11.314) 13.405 7.722 ( -6.338 0.000 -10.568) 12.323 8.920 ( 18.803 -0.000 -3.635) 19.151 8.971 ( 10.702 -0.000 -7.600) 13.126 9.540 ( 1.016 -0.000 31.864) 31.880 10.126 ( 0.735 -0.000 -24.307) 24.318 10.619 ( -5.915 0.000 7.903) 9.871 10.837 ( -2.740 0.000 -11.518) 11.840 16.974 ( -0.068 0.000 0.493) 0.498 16.981 ( -0.268 0.000 -0.218) 0.346 16.988 ( 0.011 -0.000 0.362) 0.363 16.994 ( -0.042 0.000 -0.207) 0.211 18.232 ( 0.150 -0.000 0.519) 0.540 18.244 ( 0.480 -0.000 -0.681) 0.833 18.279 ( -0.046 0.000 0.532) 0.534 18.292 ( 0.028 -0.000 -0.676) 0.676 30.851 ( -0.720 0.000 0.804) 1.079 30.863 ( -0.457 0.000 -0.373) 0.590 30.897 ( 0.061 -0.000 2.377) 2.378 30.937 ( -0.045 0.000 -1.608) 1.609 50.348 ( 2.896 -0.000 2.046) 3.546 50.377 ( 2.049 -0.000 -0.872) 2.227 50.703 ( -5.790 0.000 5.801) 8.197 50.800 ( -8.554 0.000 -3.493) 9.240 ======================= Grid point 227 (77/84) ======================= q-point: ( 0.38 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 1.228 -2.251 4.950) 5.575 1.388 ( 0.553 -4.040 3.797) 5.572 1.488 ( 10.094 -0.222 5.707) 11.598 1.570 ( 10.317 -3.867 0.856) 11.051 1.822 ( -2.629 -1.130 0.678) 2.941 1.880 ( -5.292 -1.666 -2.171) 5.957 2.021 ( -2.944 -3.038 1.396) 4.454 2.097 ( -2.994 -4.958 -3.398) 6.715 2.186 ( 2.060 1.403 7.307) 7.721 2.310 ( 3.690 2.336 -3.368) 5.515 2.357 ( 1.643 -1.823 0.941) 2.628 2.427 ( 0.153 -2.438 -6.676) 7.109 2.672 ( -1.006 3.481 3.636) 5.133 2.727 ( -1.563 3.470 -1.642) 4.145 2.898 ( 1.496 -3.794 4.577) 6.131 2.979 ( 2.271 -4.937 -3.792) 6.627 3.164 ( 2.165 1.848 3.895) 4.824 3.221 ( -1.751 -0.828 -0.778) 2.088 3.308 ( -0.884 1.436 7.658) 7.842 3.398 ( -4.224 -0.657 -1.528) 4.540 3.560 ( -3.054 -3.250 3.061) 5.409 3.636 ( 2.273 0.678 -4.714) 5.277 3.795 ( 2.742 1.073 7.820) 8.356 3.866 ( 0.960 -4.460 1.763) 4.890 3.882 ( 3.275 -3.793 -1.454) 5.218 4.046 ( -1.955 -0.532 -10.343) 10.539 4.518 ( -1.189 -2.477 2.898) 3.993 4.606 ( -1.111 -1.798 -5.960) 6.324 4.916 ( -3.268 1.625 1.313) 3.879 4.992 ( -3.140 -1.917 -6.343) 7.332 5.462 ( -0.918 -5.005 2.536) 5.686 5.489 ( -2.037 1.255 -0.462) 2.436 5.495 ( -2.257 4.478 -1.197) 5.156 5.521 ( -1.739 -0.850 -3.459) 3.963 5.925 ( 0.980 2.958 5.131) 6.003 5.992 ( 0.819 -0.822 -0.907) 1.473 6.058 ( -1.441 3.183 4.535) 5.725 6.145 ( -1.874 0.426 -2.865) 3.450 6.411 ( 2.484 -5.764 2.099) 6.618 6.441 ( 3.531 -4.642 -0.156) 5.835 6.810 ( -4.594 1.150 15.843) 16.536 7.067 ( -10.729 2.024 -8.996) 14.147 7.470 ( -0.851 0.103 7.191) 7.241 7.663 ( -3.255 1.904 -10.729) 11.372 8.974 ( 10.572 8.029 -4.570) 14.040 8.992 ( 11.801 7.234 -6.270) 15.196 9.502 ( 0.728 4.489 30.399) 30.737 10.086 ( 0.657 5.958 -27.579) 28.223 10.583 ( -4.538 -2.648 14.310) 15.244 10.858 ( -2.363 -3.733 -12.936) 13.670 16.978 ( -0.052 -0.451 0.366) 0.583 16.983 ( -0.193 -0.403 -0.173) 0.479 16.992 ( -0.008 -0.408 0.418) 0.584 16.998 ( -0.027 -0.469 -0.162) 0.497 18.233 ( 0.119 -0.001 0.581) 0.594 18.246 ( 0.422 0.124 -0.747) 0.866 18.278 ( -0.074 0.055 0.519) 0.527 18.291 ( 0.017 0.144 -0.669) 0.684 30.853 ( -0.606 -0.815 0.992) 1.420 30.868 ( -0.339 -0.901 -0.462) 1.068 30.913 ( -0.051 -1.654 2.544) 3.035 30.954 ( -0.273 -1.760 -1.536) 2.352 50.395 ( 2.989 -2.377 1.870) 4.252 50.417 ( 2.418 -2.380 -0.164) 3.397 50.669 ( -5.110 -1.673 4.969) 7.321 50.755 ( -7.539 -2.116 -3.251) 8.478 ======================= Grid point 228 (78/84) ======================= q-point: ( 0.50 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( -2.851 -3.819 4.452) 6.522 1.458 ( -0.943 -3.870 -1.448) 4.238 1.585 ( 7.796 -3.180 9.443) 12.651 1.721 ( 9.877 -3.089 -0.263) 10.352 1.826 ( -0.612 -1.044 -0.420) 1.281 1.911 ( 1.117 -3.158 -2.896) 4.428 2.065 ( -5.906 -5.704 3.576) 8.956 2.139 ( -3.420 -1.563 2.431) 4.478 2.184 ( 0.620 -0.290 -0.080) 0.689 2.292 ( 1.237 3.032 -5.031) 6.003 2.367 ( -0.999 -0.259 1.405) 1.743 2.430 ( -2.353 -0.326 -4.470) 5.062 2.640 ( 1.474 0.962 3.252) 3.698 2.700 ( 1.634 -0.011 -2.613) 3.081 2.977 ( 1.401 -3.132 4.412) 5.589 3.046 ( 2.426 0.547 -2.371) 3.436 3.184 ( 3.988 -1.932 3.761) 5.812 3.258 ( 1.370 -3.657 -1.699) 4.258 3.304 ( -2.152 -3.794 3.454) 5.563 3.379 ( -4.946 -1.827 -2.758) 5.950 3.583 ( -2.121 -0.996 4.285) 4.884 3.623 ( 0.369 2.055 0.669) 2.192 3.783 ( 1.361 2.529 5.588) 6.283 3.908 ( 0.230 2.610 -3.164) 4.108 3.937 ( -2.692 -3.337 1.813) 4.656 4.083 ( 2.054 -3.676 -7.860) 8.917 4.559 ( -1.346 -3.312 3.426) 4.951 4.655 ( 1.354 -3.286 -6.077) 7.040 4.876 ( -3.184 -0.200 4.565) 5.570 4.995 ( -2.312 -1.108 -7.516) 7.941 5.401 ( -2.189 2.395 -0.566) 3.294 5.422 ( -2.516 1.775 -2.531) 3.986 5.571 ( 0.216 -4.038 -0.101) 4.045 5.575 ( -0.760 -6.071 -0.419) 6.133 5.876 ( 2.532 2.814 5.657) 6.807 5.980 ( 3.583 3.938 -3.524) 6.385 6.023 ( -3.165 -0.412 4.948) 5.888 6.122 ( -3.360 0.107 -3.763) 5.046 6.543 ( 4.701 -3.764 3.654) 7.044 6.552 ( 3.918 -5.958 2.602) 7.591 6.753 ( -5.386 0.053 12.197) 13.333 6.936 ( -9.880 3.356 -5.170) 11.645 7.479 ( 0.701 -0.952 3.527) 3.720 7.621 ( -0.209 0.968 -9.778) 9.828 8.846 ( 4.329 12.797 -1.896) 13.642 8.903 ( 8.162 11.895 -8.053) 16.521 9.434 ( 0.351 2.863 24.418) 24.588 9.930 ( 0.181 11.670 -25.250) 27.817 10.657 ( -1.877 -7.922 13.709) 15.944 10.900 ( -1.303 -2.544 -10.930) 11.297 16.987 ( -0.051 -0.635 0.261) 0.688 16.991 ( -0.071 -0.604 -0.133) 0.622 17.001 ( -0.025 -0.561 0.471) 0.733 17.007 ( 0.002 -0.563 -0.178) 0.590 18.234 ( 0.040 0.025 0.575) 0.577 18.246 ( 0.298 0.205 -0.697) 0.786 18.277 ( -0.096 0.068 0.468) 0.483 18.287 ( 0.014 0.224 -0.592) 0.633 30.867 ( -0.336 -1.185 1.261) 1.763 30.884 ( -0.094 -1.060 -0.365) 1.125 30.948 ( -0.233 -2.444 2.627) 3.596 30.984 ( -0.440 -1.927 -0.918) 2.180 50.457 ( 0.965 -2.556 2.778) 3.896 50.491 ( 3.177 -3.154 -0.578) 4.514 50.689 ( -3.192 -4.398 2.798) 6.112 50.750 ( -4.696 -3.156 -2.905) 6.360 ======================= Grid point 229 (79/84) ======================= q-point: ( 0.62 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( -2.439 -2.962 5.720) 6.888 1.518 ( -1.149 -4.197 -2.560) 5.048 1.694 ( 7.929 -1.282 5.567) 9.773 1.785 ( 4.899 2.511 -1.922) 5.831 1.830 ( -3.194 1.188 4.578) 5.707 1.962 ( 1.879 1.551 -5.383) 5.909 2.083 ( -6.098 -2.048 5.241) 8.298 2.139 ( -0.717 -4.635 5.504) 7.231 2.201 ( -3.020 -3.144 -3.984) 5.906 2.271 ( 2.603 -0.692 -5.253) 5.904 2.394 ( -0.032 -2.608 1.060) 2.815 2.442 ( -0.576 -2.164 -2.682) 3.494 2.643 ( 1.047 0.067 2.369) 2.591 2.699 ( 1.001 2.137 -3.015) 3.829 3.006 ( 0.864 0.782 1.001) 1.536 3.017 ( 0.699 3.453 -0.133) 3.526 3.274 ( 3.407 -3.469 4.266) 6.469 3.329 ( -0.163 -3.383 1.491) 3.701 3.354 ( -2.347 -0.786 -0.082) 2.476 3.437 ( 0.148 -7.707 -5.145) 9.268 3.548 ( -1.686 3.402 5.334) 6.547 3.590 ( -0.189 0.735 3.835) 3.909 3.727 ( -0.089 3.393 1.187) 3.595 3.851 ( 0.752 2.612 -8.558) 8.980 3.953 ( -3.251 -1.539 9.054) 9.742 4.143 ( 1.363 -0.807 -9.041) 9.179 4.605 ( -0.656 -2.703 4.900) 5.634 4.717 ( 1.448 -2.024 -6.160) 6.644 4.877 ( -1.815 -2.306 5.691) 6.403 4.994 ( -0.766 -0.178 -5.884) 5.936 5.401 ( -1.023 -3.706 -1.512) 4.131 5.419 ( -1.450 -3.751 -3.293) 5.198 5.613 ( -0.544 -0.807 1.427) 1.727 5.633 ( 0.142 -0.489 -0.799) 0.947 5.896 ( 3.735 -0.354 4.532) 5.884 5.936 ( 0.559 3.290 4.654) 5.727 6.013 ( 0.349 -1.331 -3.564) 3.821 6.070 ( -3.866 2.653 -4.767) 6.686 6.619 ( 2.380 2.089 8.703) 9.261 6.637 ( 5.709 -2.723 7.854) 10.084 6.789 ( -2.762 -7.110 0.321) 7.635 6.806 ( -7.538 1.578 -1.526) 7.851 7.503 ( 0.166 -1.146 4.120) 4.279 7.629 ( 1.051 -1.318 -9.180) 9.334 8.632 ( 0.510 13.491 1.847) 13.626 8.748 ( 3.143 10.355 -10.122) 14.817 9.433 ( 0.142 -2.881 11.780) 12.128 9.719 ( 0.006 12.279 -16.379) 20.471 10.789 ( -0.377 -7.682 7.210) 10.543 10.917 ( -0.387 -0.053 -5.631) 5.644 16.996 ( -0.044 -0.458 0.269) 0.534 17.001 ( 0.040 -0.542 -0.195) 0.577 17.009 ( -0.042 -0.369 0.457) 0.589 17.015 ( 0.010 -0.284 -0.147) 0.320 18.233 ( -0.017 0.034 0.508) 0.509 18.244 ( 0.137 0.241 -0.599) 0.661 18.275 ( -0.067 -0.018 0.377) 0.383 18.284 ( 0.016 0.206 -0.450) 0.495 30.884 ( -0.134 -0.879 1.287) 1.565 30.898 ( 0.012 -0.510 -0.039) 0.512 30.988 ( -0.190 -2.191 2.358) 3.225 31.011 ( -0.083 -1.460 0.106) 1.466 50.493 ( -0.143 -1.178 3.482) 3.679 50.551 ( 1.585 -1.086 -2.320) 3.012 50.746 ( -2.118 -3.996 2.313) 5.080 50.798 ( -0.310 -4.649 -2.870) 5.472 ======================= Grid point 230 (80/84) ======================= q-point: (-0.25 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( 0.000 3.228 9.214) 9.763 1.560 ( 0.000 0.322 -3.324) 3.339 1.733 ( 0.000 6.551 1.563) 6.734 1.744 ( 0.000 2.084 0.479) 2.139 1.751 ( 0.000 0.126 4.221) 4.223 1.865 ( 0.000 4.003 -5.678) 6.947 2.163 ( -0.000 -4.850 5.804) 7.563 2.238 ( -0.000 -2.493 -1.129) 2.737 2.238 ( -0.000 -5.969 2.496) 6.470 2.318 ( -0.000 -2.880 -5.097) 5.854 2.443 ( -0.000 -2.611 0.185) 2.617 2.475 ( -0.000 -1.613 -1.554) 2.239 2.625 ( 0.000 3.522 1.051) 3.675 2.669 ( 0.000 0.713 -2.284) 2.393 2.951 ( 0.000 3.930 1.433) 4.183 2.986 ( 0.000 1.670 -2.022) 2.622 3.245 ( 0.000 8.773 3.238) 9.351 3.305 ( 0.000 1.858 -2.714) 3.289 3.418 ( -0.000 -4.190 7.006) 8.163 3.466 ( 0.000 3.998 9.042) 9.887 3.556 ( -0.000 -4.968 -6.821) 8.439 3.585 ( 0.000 0.638 -1.699) 1.815 3.747 ( -0.000 -6.329 1.678) 6.548 3.854 ( -0.000 -2.423 -8.868) 9.193 3.943 ( 0.000 1.078 9.734) 9.793 4.129 ( 0.000 2.872 -9.098) 9.541 4.636 ( -0.000 -1.228 4.597) 4.758 4.737 ( 0.000 0.455 -5.543) 5.562 4.925 ( -0.000 -3.861 4.104) 5.635 4.990 ( 0.000 0.280 -2.353) 2.370 5.488 ( -0.000 -6.682 -0.401) 6.694 5.532 ( -0.000 -9.028 -4.788) 10.219 5.595 ( 0.000 2.193 1.174) 2.487 5.619 ( 0.000 1.687 -1.205) 2.073 5.794 ( 0.000 9.050 7.425) 11.706 5.937 ( 0.000 8.499 -6.807) 10.889 5.999 ( -0.000 -5.324 4.610) 7.042 6.092 ( -0.000 -4.689 -4.467) 6.476 6.579 ( 0.000 2.780 8.367) 8.817 6.680 ( 0.000 4.937 -1.944) 5.306 6.746 ( -0.000 -4.608 13.901) 14.645 6.949 ( -0.000 -9.010 -5.547) 10.581 7.524 ( -0.000 -1.737 6.174) 6.414 7.671 ( -0.000 -2.646 -9.815) 10.165 8.424 ( 0.000 9.836 7.043) 12.098 8.624 ( 0.000 4.943 -13.077) 13.980 9.525 ( 0.000 5.323 -2.949) 6.085 9.538 ( -0.000 -4.646 -4.205) 6.266 10.889 ( 0.000 0.439 1.289) 1.362 10.904 ( -0.000 -2.838 -0.273) 2.851 17.001 ( -0.000 -0.059 0.389) 0.393 17.009 ( -0.000 -0.255 -0.384) 0.461 17.011 ( 0.000 0.036 0.408) 0.409 17.016 ( 0.000 0.144 -0.073) 0.162 18.233 ( 0.000 0.010 0.364) 0.364 18.240 ( 0.000 0.244 -0.424) 0.489 18.277 ( -0.000 -0.158 0.192) 0.248 18.281 ( 0.000 0.119 -0.236) 0.265 30.892 ( -0.000 -0.095 1.066) 1.071 30.901 ( 0.000 0.146 0.277) 0.313 31.012 ( -0.000 -0.443 2.479) 2.518 31.034 ( -0.000 -1.140 0.347) 1.191 50.493 ( 0.000 1.116 3.025) 3.224 50.550 ( 0.000 1.754 -2.722) 3.238 50.788 ( -0.000 -1.766 4.334) 4.680 50.880 ( -0.000 -4.420 -4.964) 6.647 ======================= Grid point 235 (81/84) ======================= q-point: ( 0.38 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( -2.401 0.000 4.695) 5.273 1.371 ( 2.560 -0.000 0.882) 2.708 1.568 ( 6.505 -0.000 8.810) 10.951 1.623 ( 10.671 -0.000 8.438) 13.604 1.783 ( -2.124 0.000 -0.530) 2.189 1.830 ( -1.178 0.000 -2.991) 3.214 1.990 ( -3.040 0.000 -2.556) 3.972 2.006 ( -4.188 0.000 -4.197) 5.929 2.236 ( 5.246 -0.000 7.610) 9.243 2.345 ( 0.085 -0.000 0.699) 0.704 2.380 ( 3.380 -0.000 -1.672) 3.771 2.404 ( 2.835 -0.000 -7.556) 8.070 2.689 ( -3.813 0.000 3.095) 4.911 2.734 ( -4.068 0.000 -1.061) 4.204 2.901 ( 2.162 -0.000 -0.520) 2.224 2.902 ( 0.428 -0.000 -0.774) 0.884 3.190 ( -1.998 0.000 2.370) 3.100 3.213 ( 2.604 -0.000 0.810) 2.727 3.324 ( -0.537 0.000 6.933) 6.954 3.375 ( -2.211 0.000 1.367) 2.600 3.491 ( -3.701 0.000 6.027) 7.073 3.662 ( 2.010 -0.000 -10.019) 10.218 3.815 ( -0.129 0.000 10.837) 10.837 3.834 ( 0.558 -0.000 2.206) 2.275 3.881 ( 6.783 -0.000 -2.199) 7.131 4.021 ( -2.546 0.000 -9.626) 9.957 4.493 ( -0.010 0.000 2.079) 2.079 4.576 ( -1.496 0.000 -6.373) 6.547 4.928 ( -2.272 0.000 -2.699) 3.528 4.930 ( -3.429 0.000 -3.387) 4.819 5.403 ( -0.818 0.000 4.427) 4.502 5.481 ( -0.036 0.000 -2.138) 2.138 5.511 ( -2.731 0.000 -1.691) 3.212 5.532 ( -1.608 0.000 -2.739) 3.177 5.944 ( 0.231 -0.000 4.273) 4.280 5.982 ( 1.256 -0.000 1.174) 1.720 6.091 ( -4.277 0.000 4.000) 5.856 6.132 ( -0.939 0.000 0.298) 0.985 6.372 ( 1.900 -0.000 2.010) 2.766 6.431 ( 5.734 -0.000 -2.885) 6.419 6.784 ( -4.411 0.000 14.234) 14.902 7.000 ( -9.951 0.000 -6.250) 11.751 7.475 ( 0.977 -0.000 5.137) 5.229 7.656 ( -2.142 0.000 -11.215) 11.418 9.112 ( 6.451 -0.000 -2.881) 7.065 9.158 ( 10.569 -0.000 -8.497) 13.561 9.553 ( 0.610 -0.000 31.819) 31.825 10.136 ( 0.470 -0.000 -22.979) 22.984 10.533 ( -4.349 0.000 10.122) 11.017 10.797 ( -1.955 0.000 -13.201) 13.345 16.973 ( -0.026 0.000 0.304) 0.306 16.978 ( -0.140 0.000 -0.175) 0.224 16.988 ( -0.008 0.000 0.426) 0.426 16.993 ( -0.042 0.000 -0.039) 0.057 18.234 ( 0.122 -0.000 0.706) 0.717 18.251 ( 0.338 -0.000 -0.948) 1.007 18.278 ( -0.062 0.000 0.582) 0.585 18.292 ( 0.001 -0.000 -0.736) 0.736 30.840 ( -0.521 0.000 0.921) 1.058 30.855 ( -0.371 0.000 -0.574) 0.684 30.899 ( 0.127 -0.000 2.257) 2.261 30.938 ( 0.041 -0.000 -1.560) 1.560 50.402 ( 3.766 -0.000 1.616) 4.098 50.414 ( 2.373 -0.000 0.612) 2.451 50.608 ( -5.689 0.000 4.422) 7.205 50.677 ( -6.331 0.000 -2.114) 6.674 ======================= Grid point 236 (82/84) ======================= q-point: ( 0.50 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( -1.720 -2.415 5.074) 5.877 1.404 ( 0.599 -1.771 -3.222) 3.725 1.590 ( 2.599 -0.805 13.940) 14.203 1.741 ( 5.894 -4.665 9.346) 11.994 1.792 ( 1.850 -1.003 -3.794) 4.338 1.867 ( 2.217 -2.837 -3.234) 4.840 1.949 ( -5.486 -1.335 0.023) 5.646 2.044 ( -2.755 -5.037 -6.934) 9.003 2.244 ( 3.657 3.295 6.035) 7.788 2.347 ( -1.139 -0.253 1.503) 1.902 2.375 ( 3.119 2.664 -4.077) 5.784 2.420 ( -1.677 0.959 -5.395) 5.730 2.657 ( -0.532 0.369 2.636) 2.715 2.703 ( -0.989 -0.138 -1.885) 2.134 2.911 ( 0.252 -3.566 4.906) 6.070 3.010 ( 1.166 -6.569 -4.994) 8.334 3.178 ( -0.212 -0.669 2.416) 2.515 3.223 ( 1.654 0.312 -1.598) 2.321 3.296 ( -0.809 1.989 5.551) 5.952 3.339 ( -2.499 1.134 0.264) 2.758 3.520 ( -1.509 -4.179 8.271) 9.389 3.660 ( 0.679 1.516 -4.550) 4.844 3.823 ( 1.753 0.067 6.969) 7.186 3.859 ( -1.696 -2.597 5.818) 6.593 3.948 ( 3.327 -0.065 -6.305) 7.130 4.019 ( -1.378 -3.399 -7.617) 8.454 4.508 ( -0.213 -1.655 2.526) 3.027 4.600 ( 0.089 -3.419 -6.737) 7.555 4.870 ( -1.928 1.921 1.278) 3.007 4.948 ( -1.760 -2.059 -6.636) 7.167 5.452 ( -0.482 -1.404 1.568) 2.159 5.455 ( -1.017 -0.527 0.723) 1.354 5.469 ( -1.057 4.342 -1.973) 4.885 5.512 ( -0.050 -2.734 -2.909) 3.993 5.950 ( 2.267 1.529 5.763) 6.379 5.992 ( -1.753 0.915 5.700) 6.034 6.037 ( 0.162 -0.234 -1.429) 1.457 6.102 ( -2.630 1.989 -3.221) 4.610 6.452 ( 2.080 -6.711 3.751) 7.965 6.511 ( 3.566 -3.852 -0.924) 5.330 6.740 ( -3.104 1.581 12.394) 12.874 6.916 ( -6.212 2.043 -4.546) 7.965 7.481 ( 0.838 0.120 3.025) 3.141 7.635 ( -0.608 0.957 -10.813) 10.872 9.073 ( 3.126 8.736 -1.509) 9.400 9.144 ( 5.159 8.617 -9.485) 13.814 9.509 ( 0.172 4.661 30.508) 30.862 10.094 ( 0.252 6.165 -27.580) 28.262 10.528 ( -1.934 -4.059 16.327) 16.935 10.830 ( -0.959 -4.058 -13.733) 14.352 16.977 ( -0.016 -0.439 0.247) 0.504 16.981 ( -0.059 -0.431 -0.157) 0.462 16.992 ( -0.011 -0.400 0.484) 0.628 16.998 ( -0.015 -0.493 -0.073) 0.499 18.235 ( 0.057 0.038 0.729) 0.733 18.251 ( 0.184 0.141 -0.965) 0.992 18.277 ( -0.048 0.074 0.591) 0.597 18.291 ( -0.002 0.139 -0.721) 0.735 30.845 ( -0.271 -0.905 1.105) 1.454 30.863 ( -0.170 -1.047 -0.638) 1.238 30.913 ( 0.024 -1.450 2.408) 2.811 30.951 ( -0.064 -1.450 -1.415) 2.027 50.433 ( 1.420 -1.096 2.849) 3.367 50.464 ( 2.984 -2.730 -0.250) 4.052 50.594 ( -3.675 -3.022 3.862) 6.128 50.661 ( -3.489 -2.761 -2.507) 5.107 ======================= Grid point 237 (83/84) ======================= q-point: ( 0.62 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( -0.000 -3.417 4.924) 5.994 1.445 ( -0.000 -3.256 -3.251) 4.601 1.659 ( -0.000 -4.958 10.594) 11.697 1.818 ( -0.000 -2.215 -3.328) 3.997 1.834 ( 0.000 0.504 5.342) 5.366 1.954 ( -0.000 -5.340 -4.594) 7.044 1.959 ( -0.000 -4.098 6.786) 7.928 2.118 ( -0.000 -4.492 -7.747) 8.955 2.177 ( 0.000 5.534 5.447) 7.765 2.320 ( 0.000 4.551 -7.161) 8.485 2.351 ( -0.000 -1.624 2.019) 2.591 2.403 ( -0.000 -1.260 -2.700) 2.979 2.653 ( 0.000 0.370 3.217) 3.238 2.717 ( -0.000 -0.552 -3.177) 3.225 2.988 ( -0.000 -3.588 5.480) 6.550 3.068 ( 0.000 1.121 -2.342) 2.597 3.238 ( -0.000 -3.896 0.356) 3.913 3.268 ( 0.000 0.114 4.988) 4.989 3.279 ( -0.000 -8.368 -3.572) 9.099 3.326 ( -0.000 -1.195 -1.507) 1.923 3.563 ( -0.000 -0.929 7.120) 7.180 3.625 ( 0.000 2.576 1.900) 3.201 3.803 ( 0.000 3.610 0.408) 3.633 3.898 ( -0.000 -3.004 11.864) 12.238 3.915 ( 0.000 3.665 -9.346) 10.039 4.103 ( -0.000 -4.483 -8.718) 9.803 4.549 ( -0.000 -3.150 4.974) 5.887 4.671 ( -0.000 -3.924 -7.092) 8.105 4.845 ( -0.000 -0.242 4.867) 4.873 4.974 ( -0.000 -1.595 -8.111) 8.266 5.382 ( 0.000 2.389 -0.808) 2.522 5.402 ( 0.000 1.914 -2.649) 3.268 5.565 ( -0.000 -4.548 0.443) 4.570 5.576 ( -0.000 -5.274 -0.642) 5.313 5.906 ( 0.000 2.117 6.654) 6.983 5.980 ( 0.000 0.737 6.036) 6.081 6.032 ( 0.000 2.679 -5.729) 6.324 6.074 ( -0.000 -0.577 -3.374) 3.423 6.597 ( -0.000 -4.129 4.492) 6.101 6.608 ( -0.000 -9.650 2.454) 9.957 6.685 ( 0.000 2.997 11.141) 11.537 6.838 ( 0.000 3.815 -3.912) 5.465 7.488 ( -0.000 -0.667 2.289) 2.384 7.622 ( 0.000 0.173 -10.338) 10.339 8.882 ( 0.000 13.993 -0.087) 13.994 8.970 ( 0.000 12.830 -9.569) 16.005 9.436 ( 0.000 2.845 24.427) 24.592 9.932 ( 0.000 11.775 -25.136) 27.757 10.641 ( -0.000 -8.635 14.103) 16.537 10.890 ( -0.000 -2.811 -11.049) 11.401 16.987 ( -0.000 -0.621 0.234) 0.663 16.991 ( -0.000 -0.645 -0.172) 0.668 17.000 ( -0.000 -0.553 0.530) 0.766 17.007 ( -0.000 -0.576 -0.150) 0.595 18.234 ( 0.000 0.060 0.664) 0.667 18.249 ( 0.000 0.226 -0.841) 0.871 18.276 ( 0.000 0.077 0.540) 0.546 18.287 ( 0.000 0.215 -0.630) 0.666 30.864 ( -0.000 -1.270 1.347) 1.851 30.883 ( -0.000 -1.159 -0.485) 1.257 30.946 ( -0.000 -2.334 2.558) 3.463 30.981 ( -0.000 -1.874 -0.835) 2.051 50.464 ( -0.000 -1.863 3.942) 4.360 50.527 ( -0.000 -2.597 -2.343) 3.497 50.652 ( -0.000 -5.085 3.344) 6.086 50.713 ( -0.000 -4.568 -2.657) 5.285 ======================= Grid point 246 (84/84) ======================= q-point: (-0.50 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( 0.000 -0.000 5.731) 5.731 1.397 ( -0.000 0.000 -5.222) 5.222 1.597 ( 0.000 -0.000 16.300) 16.300 1.700 ( 0.000 -0.000 10.407) 10.407 1.793 ( -0.000 0.000 4.125) 4.125 1.860 ( 0.000 -0.000 -2.756) 2.756 1.949 ( 0.000 -0.000 -6.147) 6.147 1.953 ( -0.000 0.000 -11.178) 11.178 2.298 ( 0.000 -0.000 7.054) 7.054 2.341 ( -0.000 0.000 2.989) 2.989 2.403 ( -0.000 0.000 -3.039) 3.039 2.434 ( 0.000 -0.000 -6.441) 6.441 2.651 ( 0.000 -0.000 2.338) 2.338 2.691 ( 0.000 -0.000 -1.587) 1.587 2.905 ( 0.000 -0.000 -0.373) 0.373 2.918 ( 0.000 -0.000 -1.576) 1.576 3.175 ( 0.000 -0.000 2.918) 2.918 3.238 ( 0.000 -0.000 -3.310) 3.310 3.317 ( 0.000 -0.000 6.176) 6.176 3.355 ( 0.000 -0.000 1.586) 1.586 3.458 ( 0.000 -0.000 11.377) 11.377 3.678 ( 0.000 -0.000 -10.444) 10.444 3.825 ( 0.000 -0.000 9.463) 9.463 3.827 ( -0.000 0.000 6.112) 6.112 3.960 ( 0.000 -0.000 -4.262) 4.262 3.979 ( -0.000 0.000 -8.121) 8.121 4.496 ( 0.000 -0.000 0.863) 0.863 4.564 ( 0.000 -0.000 -6.244) 6.244 4.898 ( 0.000 -0.000 -2.981) 2.981 4.907 ( 0.000 -0.000 -3.274) 3.274 5.397 ( 0.000 -0.000 4.799) 4.799 5.483 ( -0.000 0.000 0.487) 0.487 5.486 ( 0.000 -0.000 -4.206) 4.206 5.518 ( 0.000 -0.000 -3.232) 3.232 5.948 ( 0.000 -0.000 4.803) 4.803 6.010 ( 0.000 -0.000 -1.453) 1.453 6.037 ( -0.000 0.000 7.287) 7.287 6.118 ( 0.000 -0.000 -1.074) 1.074 6.395 ( 0.000 -0.000 3.961) 3.961 6.487 ( 0.000 -0.000 -3.627) 3.627 6.743 ( 0.000 -0.000 11.996) 11.996 6.909 ( 0.000 -0.000 -4.093) 4.093 7.487 ( 0.000 -0.000 3.011) 3.011 7.642 ( 0.000 -0.000 -10.809) 10.809 9.165 ( 0.000 -0.000 -1.363) 1.363 9.244 ( 0.000 -0.000 -10.356) 10.356 9.558 ( 0.000 -0.000 31.885) 31.885 10.140 ( 0.000 -0.000 -22.179) 22.179 10.496 ( 0.000 -0.000 10.972) 10.972 10.781 ( 0.000 -0.000 -13.916) 13.916 16.973 ( 0.000 -0.000 0.235) 0.235 16.977 ( 0.000 -0.000 -0.154) 0.154 16.988 ( 0.000 -0.000 0.447) 0.447 16.993 ( 0.000 -0.000 0.010) 0.010 18.235 ( 0.000 -0.000 0.780) 0.780 18.253 ( 0.000 -0.000 -1.063) 1.063 18.278 ( 0.000 -0.000 0.624) 0.624 18.292 ( 0.000 -0.000 -0.760) 0.760 30.836 ( 0.000 -0.000 0.936) 0.936 30.852 ( 0.000 -0.000 -0.657) 0.657 30.900 ( 0.000 -0.000 2.223) 2.223 30.938 ( 0.000 -0.000 -1.531) 1.531 50.438 ( 0.000 -0.000 1.967) 1.967 50.446 ( 0.000 -0.000 0.912) 0.912 50.548 ( 0.000 -0.000 4.438) 4.438 50.620 ( 0.000 -0.000 -2.557) 2.557 =================== 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 3/29568 10.0 388.068 466.575 376.520 0.000 0.000 0.000 3/29568 20.0 64.541 91.893 78.213 0.000 0.000 0.000 3/29568 30.0 26.001 36.434 30.870 0.000 0.000 0.000 3/29568 40.0 14.409 19.781 16.742 0.000 0.000 0.000 3/29568 50.0 9.449 12.801 10.844 0.000 0.000 0.000 3/29568 60.0 6.871 9.235 7.839 0.000 0.000 0.000 3/29568 70.0 5.350 7.157 6.093 0.000 0.000 0.000 3/29568 80.0 4.370 5.829 4.980 0.000 0.000 0.000 3/29568 90.0 3.693 4.919 4.219 0.000 0.000 0.000 3/29568 100.0 3.201 4.261 3.669 0.000 0.000 0.000 3/29568 110.0 2.829 3.765 3.255 0.000 0.000 0.000 3/29568 120.0 2.537 3.377 2.932 0.000 0.000 0.000 3/29568 130.0 2.303 3.066 2.672 0.000 0.000 0.000 3/29568 140.0 2.110 2.811 2.457 0.000 0.000 0.000 3/29568 150.0 1.948 2.597 2.278 0.000 0.000 0.000 3/29568 160.0 1.810 2.415 2.124 0.000 0.000 0.000 3/29568 170.0 1.692 2.258 1.992 0.000 0.000 0.000 3/29568 180.0 1.588 2.121 1.876 0.000 0.000 0.000 3/29568 190.0 1.497 2.001 1.773 0.000 0.000 0.000 3/29568 200.0 1.416 1.894 1.682 0.000 0.000 0.000 3/29568 210.0 1.344 1.798 1.600 0.000 0.000 0.000 3/29568 220.0 1.279 1.712 1.526 0.000 0.000 0.000 3/29568 230.0 1.220 1.634 1.458 0.000 0.000 0.000 3/29568 240.0 1.166 1.563 1.397 0.000 0.000 0.000 3/29568 250.0 1.118 1.499 1.341 0.000 0.000 0.000 3/29568 260.0 1.073 1.439 1.289 0.000 0.000 0.000 3/29568 270.0 1.031 1.384 1.241 0.000 0.000 0.000 3/29568 280.0 0.993 1.333 1.197 0.000 0.000 0.000 3/29568 290.0 0.958 1.286 1.156 0.000 0.000 0.000 3/29568 300.0 0.925 1.243 1.118 0.000 0.000 0.000 3/29568 310.0 0.894 1.202 1.082 0.000 0.000 0.000 3/29568 320.0 0.865 1.164 1.048 0.000 0.000 0.000 3/29568 330.0 0.839 1.128 1.017 0.000 0.000 0.000 3/29568 340.0 0.813 1.094 0.987 0.000 0.000 0.000 3/29568 350.0 0.790 1.063 0.960 0.000 0.000 0.000 3/29568 360.0 0.767 1.033 0.933 0.000 0.000 0.000 3/29568 370.0 0.746 1.005 0.908 0.000 0.000 0.000 3/29568 380.0 0.726 0.978 0.885 0.000 0.000 0.000 3/29568 390.0 0.707 0.953 0.863 0.000 0.000 0.000 3/29568 400.0 0.690 0.929 0.842 0.000 0.000 0.000 3/29568 410.0 0.673 0.906 0.821 0.000 0.000 0.000 3/29568 420.0 0.656 0.885 0.802 0.000 0.000 0.000 3/29568 430.0 0.641 0.864 0.784 0.000 0.000 0.000 3/29568 440.0 0.626 0.844 0.767 0.000 0.000 0.000 3/29568 450.0 0.612 0.826 0.750 0.000 0.000 0.000 3/29568 460.0 0.599 0.808 0.734 0.000 0.000 0.000 3/29568 470.0 0.586 0.791 0.719 0.000 0.000 0.000 3/29568 480.0 0.574 0.774 0.704 0.000 0.000 0.000 3/29568 490.0 0.562 0.758 0.690 0.000 0.000 0.000 3/29568 500.0 0.551 0.743 0.677 0.000 0.000 0.000 3/29568 510.0 0.540 0.729 0.664 0.000 0.000 0.000 3/29568 520.0 0.530 0.715 0.651 0.000 0.000 0.000 3/29568 530.0 0.520 0.702 0.639 0.000 0.000 0.000 3/29568 540.0 0.510 0.689 0.628 0.000 0.000 0.000 3/29568 550.0 0.501 0.676 0.617 0.000 0.000 0.000 3/29568 560.0 0.492 0.664 0.606 0.000 0.000 0.000 3/29568 570.0 0.484 0.653 0.596 0.000 0.000 0.000 3/29568 580.0 0.475 0.642 0.586 0.000 0.000 0.000 3/29568 590.0 0.467 0.631 0.576 0.000 0.000 0.000 3/29568 600.0 0.460 0.620 0.567 0.000 0.000 0.000 3/29568 610.0 0.452 0.610 0.558 0.000 0.000 0.000 3/29568 620.0 0.445 0.601 0.549 0.000 0.000 0.000 3/29568 630.0 0.438 0.591 0.541 0.000 0.000 0.000 3/29568 640.0 0.431 0.582 0.533 0.000 0.000 0.000 3/29568 650.0 0.425 0.573 0.525 0.000 0.000 0.000 3/29568 660.0 0.418 0.565 0.517 0.000 0.000 0.000 3/29568 670.0 0.412 0.556 0.510 0.000 0.000 0.000 3/29568 680.0 0.406 0.548 0.503 0.000 0.000 0.000 3/29568 690.0 0.400 0.541 0.496 0.000 0.000 0.000 3/29568 700.0 0.395 0.533 0.489 0.000 0.000 0.000 3/29568 710.0 0.389 0.526 0.482 0.000 0.000 0.000 3/29568 720.0 0.384 0.518 0.476 0.000 0.000 0.000 3/29568 730.0 0.379 0.511 0.469 0.000 0.000 0.000 3/29568 740.0 0.374 0.505 0.463 0.000 0.000 0.000 3/29568 750.0 0.369 0.498 0.457 0.000 0.000 0.000 3/29568 760.0 0.364 0.492 0.452 0.000 0.000 0.000 3/29568 770.0 0.360 0.485 0.446 0.000 0.000 0.000 3/29568 780.0 0.355 0.479 0.440 0.000 0.000 0.000 3/29568 790.0 0.351 0.473 0.435 0.000 0.000 0.000 3/29568 800.0 0.346 0.467 0.430 0.000 0.000 0.000 3/29568 810.0 0.342 0.462 0.425 0.000 0.000 0.000 3/29568 820.0 0.338 0.456 0.420 0.000 0.000 0.000 3/29568 830.0 0.334 0.451 0.415 0.000 0.000 0.000 3/29568 840.0 0.330 0.446 0.410 0.000 0.000 0.000 3/29568 850.0 0.326 0.440 0.406 0.000 0.000 0.000 3/29568 860.0 0.323 0.435 0.401 0.000 0.000 0.000 3/29568 870.0 0.319 0.431 0.397 0.000 0.000 0.000 3/29568 880.0 0.316 0.426 0.392 0.000 0.000 0.000 3/29568 890.0 0.312 0.421 0.388 0.000 0.000 0.000 3/29568 900.0 0.309 0.416 0.384 0.000 0.000 0.000 3/29568 910.0 0.305 0.412 0.380 0.000 0.000 0.000 3/29568 920.0 0.302 0.408 0.376 0.000 0.000 0.000 3/29568 930.0 0.299 0.403 0.372 0.000 0.000 0.000 3/29568 940.0 0.296 0.399 0.369 0.000 0.000 0.000 3/29568 950.0 0.293 0.395 0.365 0.000 0.000 0.000 3/29568 960.0 0.290 0.391 0.361 0.000 0.000 0.000 3/29568 970.0 0.287 0.387 0.358 0.000 0.000 0.000 3/29568 980.0 0.284 0.383 0.354 0.000 0.000 0.000 3/29568 990.0 0.281 0.379 0.351 0.000 0.000 0.000 3/29568 1000.0 0.279 0.376 0.348 0.000 0.000 0.000 3/29568 Thermal conductivity related properties were written into "kappa-m887.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:58:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|