----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 01:30:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.808826245000000 -5.413949935000000 0.000000000000000 b 3.808826245000000 5.413949935000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.684322070000002 Atomic positions (fractional): *1 Nd 0.46681115388226 0.00075190499092 0.25000000000000 144.242 2 Nd 0.99924809500908 0.53318884611774 0.25000000000000 144.242 *3 Nd 0.50000000000000 0.50000000000000 0.50000000000000 144.242 4 Nd 0.50000000000000 0.50000000000000 0.00000000000000 144.242 5 Nd 0.00075190499092 0.46681115388226 0.75000000000000 144.242 6 Nd 0.53318884611774 0.99924809500908 0.75000000000000 144.242 *7 Sb 0.00000000000000 0.00000000000000 0.50000000000000 121.760 8 Sb 0.00000000000000 0.00000000000000 0.00000000000000 121.760 *9 O 0.93608836806440 0.06391163193560 0.75000000000000 15.999 *10 O 0.92978046872829 0.68478122780770 0.97180523327451 15.999 11 O 0.31521877219230 0.07021953127171 0.52819476672549 15.999 12 O 0.92978046872829 0.68478122780770 0.52819476672549 15.999 13 O 0.31521877219230 0.07021953127171 0.97180523327451 15.999 *14 O 0.63404931253863 0.36595068746137 0.75000000000000 15.999 *15 O 0.62956464855635 0.37043535144365 0.25000000000000 15.999 16 O 0.37043535144365 0.62956464855635 0.75000000000000 15.999 17 O 0.36595068746137 0.63404931253863 0.25000000000000 15.999 18 O 0.07021953127171 0.31521877219230 0.02819476672549 15.999 19 O 0.68478122780770 0.92978046872829 0.47180523327451 15.999 20 O 0.68478122780770 0.92978046872829 0.02819476672549 15.999 21 O 0.07021953127171 0.31521877219230 0.47180523327451 15.999 22 O 0.06391163193560 0.93608836806440 0.25000000000000 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.617652490000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.827899870000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.684322070000002 Atomic positions (fractional): *1 Nd 0.23378152943659 0.76697037555433 0.25000000000000 144.242 > 1 2 Nd 0.76621847056341 0.76697037555433 0.25000000000000 144.242 > 2 *3 Nd 0.50000000000000 0.00000000000000 0.50000000000000 144.242 > 3 4 Nd 0.50000000000000 0.00000000000000 0.00000000000000 144.242 > 4 5 Nd 0.23378152943659 0.23302962444567 0.75000000000000 144.242 > 5 6 Nd 0.76621847056341 0.23302962444567 0.75000000000000 144.242 > 6 7 Nd 0.73378152943659 0.26697037555433 0.25000000000000 144.242 > 1 8 Nd 0.26621847056341 0.26697037555433 0.25000000000000 144.242 > 2 9 Nd 0.00000000000000 0.50000000000000 0.50000000000000 144.242 > 3 10 Nd 0.00000000000000 0.50000000000000 0.00000000000000 144.242 > 4 11 Nd 0.73378152943659 0.73302962444567 0.75000000000000 144.242 > 5 12 Nd 0.26621847056341 0.73302962444567 0.75000000000000 144.242 > 6 *13 Sb 0.00000000000000 0.00000000000000 0.50000000000000 121.760 > 7 14 Sb 0.00000000000000 0.00000000000000 0.00000000000000 121.760 > 8 15 Sb 0.50000000000000 0.50000000000000 0.50000000000000 121.760 > 7 16 Sb 0.50000000000000 0.50000000000000 0.00000000000000 121.760 > 8 *17 O 0.50000000000000 0.56391163193560 0.75000000000000 15.999 > 9 *18 O 0.80728084826799 0.87750037953970 0.97180523327451 15.999 > 10 19 O 0.19271915173200 0.87750037953970 0.52819476672549 15.999 > 11 20 O 0.80728084826799 0.87750037953970 0.52819476672549 15.999 > 12 21 O 0.19271915173200 0.87750037953970 0.97180523327451 15.999 > 13 *22 O 0.50000000000000 0.86595068746137 0.75000000000000 15.999 > 14 *23 O 0.50000000000000 0.87043535144365 0.25000000000000 15.999 > 15 24 O 0.50000000000000 0.12956464855635 0.75000000000000 15.999 > 16 25 O 0.50000000000000 0.13404931253863 0.25000000000000 15.999 > 17 26 O 0.19271915173200 0.12249962046030 0.02819476672549 15.999 > 18 27 O 0.80728084826799 0.12249962046030 0.47180523327451 15.999 > 19 28 O 0.80728084826799 0.12249962046030 0.02819476672549 15.999 > 20 29 O 0.19271915173200 0.12249962046030 0.47180523327451 15.999 > 21 30 O 0.50000000000000 0.43608836806440 0.25000000000000 15.999 > 22 31 O 0.00000000000000 0.06391163193560 0.75000000000000 15.999 > 9 32 O 0.30728084826800 0.37750037953970 0.97180523327451 15.999 > 10 33 O 0.69271915173201 0.37750037953970 0.52819476672549 15.999 > 11 34 O 0.30728084826800 0.37750037953970 0.52819476672549 15.999 > 12 35 O 0.69271915173201 0.37750037953970 0.97180523327451 15.999 > 13 36 O 0.00000000000000 0.36595068746137 0.75000000000000 15.999 > 14 37 O 0.00000000000000 0.37043535144365 0.25000000000000 15.999 > 15 38 O 0.00000000000000 0.62956464855635 0.75000000000000 15.999 > 16 39 O 0.00000000000000 0.63404931253863 0.25000000000000 15.999 > 17 40 O 0.69271915173201 0.62249962046030 0.02819476672549 15.999 > 18 41 O 0.30728084826800 0.62249962046030 0.47180523327451 15.999 > 19 42 O 0.30728084826800 0.62249962046030 0.02819476672549 15.999 > 20 43 O 0.69271915173201 0.62249962046030 0.47180523327451 15.999 > 21 44 O 0.00000000000000 0.93608836806440 0.25000000000000 15.999 > 22 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.235304980000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.827899870000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.684322070000002 Atomic positions (fractional): *1 Nd 0.11689076471829 0.76697037555433 0.25000000000000 144.242 > 1 2 Nd 0.61689076471829 0.76697037555433 0.25000000000000 144.242 > 1 3 Nd 0.38310923528171 0.76697037555433 0.25000000000000 144.242 > 2 4 Nd 0.88310923528171 0.76697037555433 0.25000000000000 144.242 > 2 *5 Nd 0.25000000000000 0.00000000000000 0.50000000000000 144.242 > 3 6 Nd 0.75000000000000 0.00000000000000 0.50000000000000 144.242 > 3 7 Nd 0.25000000000000 0.00000000000000 0.00000000000000 144.242 > 4 8 Nd 0.75000000000000 0.00000000000000 0.00000000000000 144.242 > 4 9 Nd 0.11689076471829 0.23302962444567 0.75000000000000 144.242 > 5 10 Nd 0.61689076471829 0.23302962444567 0.75000000000000 144.242 > 5 11 Nd 0.38310923528171 0.23302962444567 0.75000000000000 144.242 > 6 12 Nd 0.88310923528171 0.23302962444567 0.75000000000000 144.242 > 6 13 Nd 0.36689076471829 0.26697037555433 0.25000000000000 144.242 > 1 14 Nd 0.86689076471829 0.26697037555433 0.25000000000000 144.242 > 1 15 Nd 0.13310923528171 0.26697037555433 0.25000000000000 144.242 > 2 16 Nd 0.63310923528171 0.26697037555433 0.25000000000000 144.242 > 2 17 Nd 0.00000000000000 0.50000000000000 0.50000000000000 144.242 > 3 18 Nd 0.50000000000000 0.50000000000000 0.50000000000000 144.242 > 3 19 Nd 0.00000000000000 0.50000000000000 0.00000000000000 144.242 > 4 20 Nd 0.50000000000000 0.50000000000000 0.00000000000000 144.242 > 4 21 Nd 0.36689076471829 0.73302962444567 0.75000000000000 144.242 > 5 22 Nd 0.86689076471829 0.73302962444567 0.75000000000000 144.242 > 5 23 Nd 0.13310923528171 0.73302962444567 0.75000000000000 144.242 > 6 24 Nd 0.63310923528171 0.73302962444567 0.75000000000000 144.242 > 6 *25 Sb 0.00000000000000 0.00000000000000 0.50000000000000 121.760 > 7 26 Sb 0.50000000000000 0.00000000000000 0.50000000000000 121.760 > 7 27 Sb 0.00000000000000 0.00000000000000 0.00000000000000 121.760 > 8 28 Sb 0.50000000000000 0.00000000000000 0.00000000000000 121.760 > 8 29 Sb 0.25000000000000 0.50000000000000 0.50000000000000 121.760 > 7 30 Sb 0.75000000000000 0.50000000000000 0.50000000000000 121.760 > 7 31 Sb 0.25000000000000 0.50000000000000 0.00000000000000 121.760 > 8 32 Sb 0.75000000000000 0.50000000000000 0.00000000000000 121.760 > 8 *33 O 0.25000000000000 0.56391163193560 0.75000000000000 15.999 > 9 34 O 0.75000000000000 0.56391163193560 0.75000000000000 15.999 > 9 *35 O 0.40364042413400 0.87750037953970 0.97180523327451 15.999 > 10 36 O 0.90364042413400 0.87750037953970 0.97180523327451 15.999 > 10 37 O 0.09635957586600 0.87750037953970 0.52819476672549 15.999 > 11 38 O 0.59635957586600 0.87750037953970 0.52819476672549 15.999 > 11 39 O 0.40364042413400 0.87750037953970 0.52819476672549 15.999 > 12 40 O 0.90364042413400 0.87750037953970 0.52819476672549 15.999 > 12 41 O 0.09635957586600 0.87750037953970 0.97180523327451 15.999 > 13 42 O 0.59635957586600 0.87750037953970 0.97180523327451 15.999 > 13 *43 O 0.25000000000000 0.86595068746137 0.75000000000000 15.999 > 14 44 O 0.75000000000000 0.86595068746137 0.75000000000000 15.999 > 14 *45 O 0.25000000000000 0.87043535144365 0.25000000000000 15.999 > 15 46 O 0.75000000000000 0.87043535144365 0.25000000000000 15.999 > 15 47 O 0.25000000000000 0.12956464855635 0.75000000000000 15.999 > 16 48 O 0.75000000000000 0.12956464855635 0.75000000000000 15.999 > 16 49 O 0.25000000000000 0.13404931253863 0.25000000000000 15.999 > 17 50 O 0.75000000000000 0.13404931253863 0.25000000000000 15.999 > 17 51 O 0.09635957586600 0.12249962046030 0.02819476672549 15.999 > 18 52 O 0.59635957586600 0.12249962046030 0.02819476672549 15.999 > 18 53 O 0.40364042413400 0.12249962046030 0.47180523327451 15.999 > 19 54 O 0.90364042413400 0.12249962046030 0.47180523327451 15.999 > 19 55 O 0.40364042413400 0.12249962046030 0.02819476672549 15.999 > 20 56 O 0.90364042413400 0.12249962046030 0.02819476672549 15.999 > 20 57 O 0.09635957586600 0.12249962046030 0.47180523327451 15.999 > 21 58 O 0.59635957586600 0.12249962046030 0.47180523327451 15.999 > 21 59 O 0.25000000000000 0.43608836806440 0.25000000000000 15.999 > 22 60 O 0.75000000000000 0.43608836806440 0.25000000000000 15.999 > 22 61 O 0.00000000000000 0.06391163193560 0.75000000000000 15.999 > 9 62 O 0.50000000000000 0.06391163193560 0.75000000000000 15.999 > 9 63 O 0.15364042413400 0.37750037953970 0.97180523327451 15.999 > 10 64 O 0.65364042413400 0.37750037953970 0.97180523327451 15.999 > 10 65 O 0.34635957586600 0.37750037953970 0.52819476672549 15.999 > 11 66 O 0.84635957586600 0.37750037953970 0.52819476672549 15.999 > 11 67 O 0.15364042413400 0.37750037953970 0.52819476672549 15.999 > 12 68 O 0.65364042413400 0.37750037953970 0.52819476672549 15.999 > 12 69 O 0.34635957586600 0.37750037953970 0.97180523327451 15.999 > 13 70 O 0.84635957586600 0.37750037953970 0.97180523327451 15.999 > 13 71 O 0.00000000000000 0.36595068746137 0.75000000000000 15.999 > 14 72 O 0.50000000000000 0.36595068746137 0.75000000000000 15.999 > 14 73 O 0.00000000000000 0.37043535144365 0.25000000000000 15.999 > 15 74 O 0.50000000000000 0.37043535144365 0.25000000000000 15.999 > 15 75 O 0.00000000000000 0.62956464855635 0.75000000000000 15.999 > 16 76 O 0.50000000000000 0.62956464855635 0.75000000000000 15.999 > 16 77 O 0.00000000000000 0.63404931253863 0.25000000000000 15.999 > 17 78 O 0.50000000000000 0.63404931253863 0.25000000000000 15.999 > 17 79 O 0.34635957586600 0.62249962046030 0.02819476672549 15.999 > 18 80 O 0.84635957586600 0.62249962046030 0.02819476672549 15.999 > 18 81 O 0.15364042413400 0.62249962046030 0.47180523327451 15.999 > 19 82 O 0.65364042413400 0.62249962046030 0.47180523327451 15.999 > 19 83 O 0.15364042413400 0.62249962046030 0.02819476672549 15.999 > 20 84 O 0.65364042413400 0.62249962046030 0.02819476672549 15.999 > 20 85 O 0.34635957586600 0.62249962046030 0.47180523327451 15.999 > 21 86 O 0.84635957586600 0.62249962046030 0.47180523327451 15.999 > 21 87 O 0.00000000000000 0.93608836806440 0.25000000000000 15.999 > 22 88 O 0.50000000000000 0.93608836806440 0.25000000000000 15.999 > 22 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4474014 0.0000000 0.0000000 0.0000000 4.5066455 0.0000000 0.0000000 0.0000000 4.5055656 -------------------------- Born effective charges -------------------------- 1 Nd 3.9391262 0.3035513 0.0000000 0.4151343 4.2247683 0.0000000 0.0000000 0.0000000 3.8749277 2 Nd 3.9391262 -0.3035513 0.0000000 -0.4151343 4.2247683 0.0000000 0.0000000 0.0000000 3.8749277 3 Nd 3.7556701 0.0000000 0.0000000 0.0000000 3.8739721 -0.1708112 0.0000000 -0.0396279 4.6855099 4 Nd 3.7556701 0.0000000 0.0000000 0.0000000 3.8739721 0.1708112 0.0000000 0.0396279 4.6855099 5 Nd 3.9391262 -0.3035513 0.0000000 -0.4151343 4.2247683 0.0000000 0.0000000 0.0000000 3.8749277 6 Nd 3.9391262 0.3035513 0.0000000 0.4151343 4.2247683 0.0000000 0.0000000 0.0000000 3.8749277 7 Sb 5.0226863 0.0000000 0.0000000 0.0000000 4.8297704 0.4199661 0.0000000 0.8362354 4.7843770 8 Sb 5.0226863 0.0000000 0.0000000 0.0000000 4.8297704 -0.4199661 0.0000000 -0.8362354 4.7843770 9 O -1.7083230 0.0000000 0.0000000 0.0000000 -2.0620739 0.0000000 0.0000000 0.0000000 -3.0287984 10 O -2.2774125 -0.4241987 -0.1109687 -0.4130735 -2.4021092 -0.1086813 -0.1789399 -0.1963156 -2.2189262 11 O -2.2774125 0.4241987 -0.1109687 0.4130735 -2.4021092 0.1086813 -0.1789399 0.1963156 -2.2189262 12 O -2.2774125 -0.4241987 0.1109687 -0.4130735 -2.4021092 0.1086813 0.1789399 0.1963156 -2.2189262 13 O -2.2774125 0.4241987 0.1109687 0.4130735 -2.4021092 -0.1086813 0.1789399 -0.1963156 -2.2189262 14 O -2.8282758 0.0000000 0.0000000 0.0000000 -2.9342170 0.0000000 0.0000000 0.0000000 -2.6237274 15 O -3.0103600 0.0000000 0.0000000 0.0000000 -2.5485514 0.0000000 0.0000000 0.0000000 -2.6915118 16 O -3.0103600 0.0000000 0.0000000 0.0000000 -2.5485514 0.0000000 0.0000000 0.0000000 -2.6915118 17 O -2.8282758 0.0000000 0.0000000 0.0000000 -2.9342170 0.0000000 0.0000000 0.0000000 -2.6237274 18 O -2.2774125 -0.4241987 -0.1109687 -0.4130735 -2.4021092 -0.1086813 -0.1789399 -0.1963156 -2.2189262 19 O -2.2774125 0.4241987 -0.1109687 0.4130735 -2.4021092 0.1086813 -0.1789399 0.1963156 -2.2189262 20 O -2.2774125 0.4241987 0.1109687 0.4130735 -2.4021092 -0.1086813 0.1789399 -0.1963156 -2.2189262 21 O -2.2774125 -0.4241987 0.1109687 -0.4130735 -2.4021092 0.1086813 0.1789399 0.1963156 -2.2189262 22 O -1.7083230 0.0000000 0.0000000 0.0000000 -2.0620739 0.0000000 0.0000000 0.0000000 -3.0287984 ---------------------------------------------------------------------------- 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: 10902/10902 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1252 Number of blocks in projector: 1252 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: 254 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 220 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 202 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 202 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 202 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 172 Use standard eigh solver. Tree of FC basis block matrices: - (1252, 1219), data: False |-- (172, 170), data: True |-- (202, 195), data: True |-- (202, 195), data: True |-- (202, 195), data: True |-- (220, 214), data: True |-- (254, 250), data: True ----- Solver_atoms: 1 -- 88 / 88 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 400 - Time: 1.140 Solver_block: 200 / 400 - Time: 1.143 Solver_block: 300 / 400 - Time: 1.141 Solver_block: 400 / 400 - Time: 1.141 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.592 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 264/264 Permutation basis: 10902/10902 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1252 Number of blocks in projector: 1252 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: 254 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 220 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 202 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 202 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 202 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 172 Use standard eigh solver. Tree of FC basis block matrices: - (1252, 1219), data: False |-- (172, 170), data: True |-- (202, 195), data: True |-- (202, 195), data: True |-- (202, 195), data: True |-- (220, 214), data: True |-- (254, 250), 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 2026-01-09 01:30:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 01:30:52]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.808826245000000 -5.413949935000000 0.000000000000000 b 3.808826245000000 5.413949935000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.684322070000002 Atomic positions (fractional): 1 Nd 0.46681115388226 0.00075190499092 0.25000000000000 144.242 2 Nd 0.99924809500908 0.53318884611774 0.25000000000000 144.242 3 Nd 0.50000000000000 0.50000000000000 0.50000000000000 144.242 4 Nd 0.50000000000000 0.50000000000000 0.00000000000000 144.242 5 Nd 0.00075190499092 0.46681115388226 0.75000000000000 144.242 6 Nd 0.53318884611774 0.99924809500908 0.75000000000000 144.242 7 Sb 0.00000000000000 0.00000000000000 0.50000000000000 121.760 8 Sb 0.00000000000000 0.00000000000000 0.00000000000000 121.760 9 O 0.93608836806440 0.06391163193560 0.75000000000000 15.999 10 O 0.92978046872829 0.68478122780770 0.97180523327451 15.999 11 O 0.31521877219230 0.07021953127171 0.52819476672549 15.999 12 O 0.92978046872829 0.68478122780770 0.52819476672549 15.999 13 O 0.31521877219230 0.07021953127171 0.97180523327451 15.999 14 O 0.63404931253863 0.36595068746137 0.75000000000000 15.999 15 O 0.62956464855635 0.37043535144365 0.25000000000000 15.999 16 O 0.37043535144365 0.62956464855635 0.75000000000000 15.999 17 O 0.36595068746137 0.63404931253863 0.25000000000000 15.999 18 O 0.07021953127171 0.31521877219230 0.02819476672549 15.999 19 O 0.68478122780770 0.92978046872829 0.47180523327451 15.999 20 O 0.68478122780770 0.92978046872829 0.02819476672549 15.999 21 O 0.07021953127171 0.31521877219230 0.47180523327451 15.999 22 O 0.06391163193560 0.93608836806440 0.25000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.235304980000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.827899870000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.684322070000002 Atomic positions (fractional): 1 Nd 0.11689076471829 0.76697037555433 0.25000000000000 144.242 > 1 2 Nd 0.61689076471829 0.76697037555433 0.25000000000000 144.242 > 1 3 Nd 0.38310923528171 0.76697037555433 0.25000000000000 144.242 > 3 4 Nd 0.88310923528171 0.76697037555433 0.25000000000000 144.242 > 3 5 Nd 0.25000000000000 0.00000000000000 0.50000000000000 144.242 > 5 6 Nd 0.75000000000000 0.00000000000000 0.50000000000000 144.242 > 5 7 Nd 0.25000000000000 0.00000000000000 0.00000000000000 144.242 > 7 8 Nd 0.75000000000000 0.00000000000000 0.00000000000000 144.242 > 7 9 Nd 0.11689076471829 0.23302962444567 0.75000000000000 144.242 > 9 10 Nd 0.61689076471829 0.23302962444567 0.75000000000000 144.242 > 9 11 Nd 0.38310923528171 0.23302962444567 0.75000000000000 144.242 > 11 12 Nd 0.88310923528171 0.23302962444567 0.75000000000000 144.242 > 11 13 Nd 0.36689076471829 0.26697037555433 0.25000000000000 144.242 > 1 14 Nd 0.86689076471829 0.26697037555433 0.25000000000000 144.242 > 1 15 Nd 0.13310923528171 0.26697037555433 0.25000000000000 144.242 > 3 16 Nd 0.63310923528171 0.26697037555433 0.25000000000000 144.242 > 3 17 Nd 0.00000000000000 0.50000000000000 0.50000000000000 144.242 > 5 18 Nd 0.50000000000000 0.50000000000000 0.50000000000000 144.242 > 5 19 Nd 0.00000000000000 0.50000000000000 0.00000000000000 144.242 > 7 20 Nd 0.50000000000000 0.50000000000000 0.00000000000000 144.242 > 7 21 Nd 0.36689076471829 0.73302962444567 0.75000000000000 144.242 > 9 22 Nd 0.86689076471829 0.73302962444567 0.75000000000000 144.242 > 9 23 Nd 0.13310923528171 0.73302962444567 0.75000000000000 144.242 > 11 24 Nd 0.63310923528171 0.73302962444567 0.75000000000000 144.242 > 11 25 Sb 0.00000000000000 0.00000000000000 0.50000000000000 121.760 > 25 26 Sb 0.50000000000000 0.00000000000000 0.50000000000000 121.760 > 25 27 Sb 0.00000000000000 0.00000000000000 0.00000000000000 121.760 > 27 28 Sb 0.50000000000000 0.00000000000000 0.00000000000000 121.760 > 27 29 Sb 0.25000000000000 0.50000000000000 0.50000000000000 121.760 > 25 30 Sb 0.75000000000000 0.50000000000000 0.50000000000000 121.760 > 25 31 Sb 0.25000000000000 0.50000000000000 0.00000000000000 121.760 > 27 32 Sb 0.75000000000000 0.50000000000000 0.00000000000000 121.760 > 27 33 O 0.25000000000000 0.56391163193560 0.75000000000000 15.999 > 33 34 O 0.75000000000000 0.56391163193560 0.75000000000000 15.999 > 33 35 O 0.40364042413400 0.87750037953970 0.97180523327451 15.999 > 35 36 O 0.90364042413400 0.87750037953970 0.97180523327451 15.999 > 35 37 O 0.09635957586600 0.87750037953970 0.52819476672549 15.999 > 37 38 O 0.59635957586600 0.87750037953970 0.52819476672549 15.999 > 37 39 O 0.40364042413400 0.87750037953970 0.52819476672549 15.999 > 39 40 O 0.90364042413400 0.87750037953970 0.52819476672549 15.999 > 39 41 O 0.09635957586600 0.87750037953970 0.97180523327451 15.999 > 41 42 O 0.59635957586600 0.87750037953970 0.97180523327451 15.999 > 41 43 O 0.25000000000000 0.86595068746137 0.75000000000000 15.999 > 43 44 O 0.75000000000000 0.86595068746137 0.75000000000000 15.999 > 43 45 O 0.25000000000000 0.87043535144365 0.25000000000000 15.999 > 45 46 O 0.75000000000000 0.87043535144365 0.25000000000000 15.999 > 45 47 O 0.25000000000000 0.12956464855635 0.75000000000000 15.999 > 47 48 O 0.75000000000000 0.12956464855635 0.75000000000000 15.999 > 47 49 O 0.25000000000000 0.13404931253863 0.25000000000000 15.999 > 49 50 O 0.75000000000000 0.13404931253863 0.25000000000000 15.999 > 49 51 O 0.09635957586600 0.12249962046030 0.02819476672549 15.999 > 51 52 O 0.59635957586600 0.12249962046030 0.02819476672549 15.999 > 51 53 O 0.40364042413400 0.12249962046030 0.47180523327451 15.999 > 53 54 O 0.90364042413400 0.12249962046030 0.47180523327451 15.999 > 53 55 O 0.40364042413400 0.12249962046030 0.02819476672549 15.999 > 55 56 O 0.90364042413400 0.12249962046030 0.02819476672549 15.999 > 55 57 O 0.09635957586600 0.12249962046030 0.47180523327451 15.999 > 57 58 O 0.59635957586600 0.12249962046030 0.47180523327451 15.999 > 57 59 O 0.25000000000000 0.43608836806440 0.25000000000000 15.999 > 59 60 O 0.75000000000000 0.43608836806440 0.25000000000000 15.999 > 59 61 O 0.00000000000000 0.06391163193560 0.75000000000000 15.999 > 33 62 O 0.50000000000000 0.06391163193560 0.75000000000000 15.999 > 33 63 O 0.15364042413400 0.37750037953970 0.97180523327451 15.999 > 35 64 O 0.65364042413400 0.37750037953970 0.97180523327451 15.999 > 35 65 O 0.34635957586600 0.37750037953970 0.52819476672549 15.999 > 37 66 O 0.84635957586600 0.37750037953970 0.52819476672549 15.999 > 37 67 O 0.15364042413400 0.37750037953970 0.52819476672549 15.999 > 39 68 O 0.65364042413400 0.37750037953970 0.52819476672549 15.999 > 39 69 O 0.34635957586600 0.37750037953970 0.97180523327451 15.999 > 41 70 O 0.84635957586600 0.37750037953970 0.97180523327451 15.999 > 41 71 O 0.00000000000000 0.36595068746137 0.75000000000000 15.999 > 43 72 O 0.50000000000000 0.36595068746137 0.75000000000000 15.999 > 43 73 O 0.00000000000000 0.37043535144365 0.25000000000000 15.999 > 45 74 O 0.50000000000000 0.37043535144365 0.25000000000000 15.999 > 45 75 O 0.00000000000000 0.62956464855635 0.75000000000000 15.999 > 47 76 O 0.50000000000000 0.62956464855635 0.75000000000000 15.999 > 47 77 O 0.00000000000000 0.63404931253863 0.25000000000000 15.999 > 49 78 O 0.50000000000000 0.63404931253863 0.25000000000000 15.999 > 49 79 O 0.34635957586600 0.62249962046030 0.02819476672549 15.999 > 51 80 O 0.84635957586600 0.62249962046030 0.02819476672549 15.999 > 51 81 O 0.15364042413400 0.62249962046030 0.47180523327451 15.999 > 53 82 O 0.65364042413400 0.62249962046030 0.47180523327451 15.999 > 53 83 O 0.15364042413400 0.62249962046030 0.02819476672549 15.999 > 55 84 O 0.65364042413400 0.62249962046030 0.02819476672549 15.999 > 55 85 O 0.34635957586600 0.62249962046030 0.47180523327451 15.999 > 57 86 O 0.84635957586600 0.62249962046030 0.47180523327451 15.999 > 57 87 O 0.00000000000000 0.93608836806440 0.25000000000000 15.999 > 59 88 O 0.50000000000000 0.93608836806440 0.25000000000000 15.999 > 59 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4474014 0.0000000 0.0000000 0.0000000 4.5066455 0.0000000 0.0000000 0.0000000 4.5055656 -------------------------- Born effective charges -------------------------- 1 Nd 3.9391262 0.3035513 0.0000000 0.4151343 4.2247683 0.0000000 0.0000000 0.0000000 3.8749277 2 Nd 3.9391262 -0.3035513 0.0000000 -0.4151343 4.2247683 0.0000000 0.0000000 0.0000000 3.8749277 3 Nd 3.7556701 0.0000000 0.0000000 0.0000000 3.8739721 -0.1708112 0.0000000 -0.0396279 4.6855099 4 Nd 3.7556701 0.0000000 0.0000000 0.0000000 3.8739721 0.1708112 0.0000000 0.0396279 4.6855099 5 Nd 3.9391262 -0.3035513 0.0000000 -0.4151343 4.2247683 0.0000000 0.0000000 0.0000000 3.8749277 6 Nd 3.9391262 0.3035513 0.0000000 0.4151343 4.2247683 0.0000000 0.0000000 0.0000000 3.8749277 7 Sb 5.0226863 0.0000000 0.0000000 0.0000000 4.8297704 0.4199661 0.0000000 0.8362354 4.7843770 8 Sb 5.0226863 0.0000000 0.0000000 0.0000000 4.8297704 -0.4199661 0.0000000 -0.8362354 4.7843770 9 O -1.7083230 0.0000000 0.0000000 0.0000000 -2.0620739 0.0000000 0.0000000 0.0000000 -3.0287984 10 O -2.2774125 -0.4241987 -0.1109687 -0.4130735 -2.4021092 -0.1086813 -0.1789399 -0.1963156 -2.2189262 11 O -2.2774125 0.4241987 -0.1109687 0.4130735 -2.4021092 0.1086813 -0.1789399 0.1963156 -2.2189262 12 O -2.2774125 -0.4241987 0.1109687 -0.4130735 -2.4021092 0.1086813 0.1789399 0.1963156 -2.2189262 13 O -2.2774125 0.4241987 0.1109687 0.4130735 -2.4021092 -0.1086813 0.1789399 -0.1963156 -2.2189262 14 O -2.8282758 0.0000000 0.0000000 0.0000000 -2.9342170 0.0000000 0.0000000 0.0000000 -2.6237274 15 O -3.0103600 0.0000000 0.0000000 0.0000000 -2.5485514 0.0000000 0.0000000 0.0000000 -2.6915118 16 O -3.0103600 0.0000000 0.0000000 0.0000000 -2.5485514 0.0000000 0.0000000 0.0000000 -2.6915118 17 O -2.8282758 0.0000000 0.0000000 0.0000000 -2.9342170 0.0000000 0.0000000 0.0000000 -2.6237274 18 O -2.2774125 -0.4241987 -0.1109687 -0.4130735 -2.4021092 -0.1086813 -0.1789399 -0.1963156 -2.2189262 19 O -2.2774125 0.4241987 -0.1109687 0.4130735 -2.4021092 0.1086813 -0.1789399 0.1963156 -2.2189262 20 O -2.2774125 0.4241987 0.1109687 0.4130735 -2.4021092 -0.1086813 0.1789399 -0.1963156 -2.2189262 21 O -2.2774125 -0.4241987 0.1109687 -0.4130735 -2.4021092 0.1086813 0.1789399 0.1963156 -2.2189262 22 O -1.7083230 0.0000000 0.0000000 0.0000000 -2.0620739 0.0000000 0.0000000 0.0000000 -3.0287984 ---------------------------------------------------------------------------- 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[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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[ 35, 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[ 43, 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[ 45, 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 (zyz) 0.00000000 (zyz) 0.00000000 (zzy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yz) -0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 01:31:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 01:31:07]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.808826245000000 -5.413949935000000 0.000000000000000 b 3.808826245000000 5.413949935000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.684322070000002 Atomic positions (fractional): 1 Nd 0.46681115388226 0.00075190499092 0.25000000000000 144.242 2 Nd 0.99924809500908 0.53318884611774 0.25000000000000 144.242 3 Nd 0.50000000000000 0.50000000000000 0.50000000000000 144.242 4 Nd 0.50000000000000 0.50000000000000 0.00000000000000 144.242 5 Nd 0.00075190499092 0.46681115388226 0.75000000000000 144.242 6 Nd 0.53318884611774 0.99924809500908 0.75000000000000 144.242 7 Sb 0.00000000000000 0.00000000000000 0.50000000000000 121.760 8 Sb 0.00000000000000 0.00000000000000 0.00000000000000 121.760 9 O 0.93608836806440 0.06391163193560 0.75000000000000 15.999 10 O 0.92978046872829 0.68478122780770 0.97180523327451 15.999 11 O 0.31521877219230 0.07021953127171 0.52819476672549 15.999 12 O 0.92978046872829 0.68478122780770 0.52819476672549 15.999 13 O 0.31521877219230 0.07021953127171 0.97180523327451 15.999 14 O 0.63404931253863 0.36595068746137 0.75000000000000 15.999 15 O 0.62956464855635 0.37043535144365 0.25000000000000 15.999 16 O 0.37043535144365 0.62956464855635 0.75000000000000 15.999 17 O 0.36595068746137 0.63404931253863 0.25000000000000 15.999 18 O 0.07021953127171 0.31521877219230 0.02819476672549 15.999 19 O 0.68478122780770 0.92978046872829 0.47180523327451 15.999 20 O 0.68478122780770 0.92978046872829 0.02819476672549 15.999 21 O 0.07021953127171 0.31521877219230 0.47180523327451 15.999 22 O 0.06391163193560 0.93608836806440 0.25000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.235304980000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.827899870000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.684322070000002 Atomic positions (fractional): 1 Nd 0.11689076471829 0.76697037555433 0.25000000000000 144.242 > 1 2 Nd 0.61689076471829 0.76697037555433 0.25000000000000 144.242 > 1 3 Nd 0.38310923528171 0.76697037555433 0.25000000000000 144.242 > 3 4 Nd 0.88310923528171 0.76697037555433 0.25000000000000 144.242 > 3 5 Nd 0.25000000000000 0.00000000000000 0.50000000000000 144.242 > 5 6 Nd 0.75000000000000 0.00000000000000 0.50000000000000 144.242 > 5 7 Nd 0.25000000000000 0.00000000000000 0.00000000000000 144.242 > 7 8 Nd 0.75000000000000 0.00000000000000 0.00000000000000 144.242 > 7 9 Nd 0.11689076471829 0.23302962444567 0.75000000000000 144.242 > 9 10 Nd 0.61689076471829 0.23302962444567 0.75000000000000 144.242 > 9 11 Nd 0.38310923528171 0.23302962444567 0.75000000000000 144.242 > 11 12 Nd 0.88310923528171 0.23302962444567 0.75000000000000 144.242 > 11 13 Nd 0.36689076471829 0.26697037555433 0.25000000000000 144.242 > 1 14 Nd 0.86689076471829 0.26697037555433 0.25000000000000 144.242 > 1 15 Nd 0.13310923528171 0.26697037555433 0.25000000000000 144.242 > 3 16 Nd 0.63310923528171 0.26697037555433 0.25000000000000 144.242 > 3 17 Nd 0.00000000000000 0.50000000000000 0.50000000000000 144.242 > 5 18 Nd 0.50000000000000 0.50000000000000 0.50000000000000 144.242 > 5 19 Nd 0.00000000000000 0.50000000000000 0.00000000000000 144.242 > 7 20 Nd 0.50000000000000 0.50000000000000 0.00000000000000 144.242 > 7 21 Nd 0.36689076471829 0.73302962444567 0.75000000000000 144.242 > 9 22 Nd 0.86689076471829 0.73302962444567 0.75000000000000 144.242 > 9 23 Nd 0.13310923528171 0.73302962444567 0.75000000000000 144.242 > 11 24 Nd 0.63310923528171 0.73302962444567 0.75000000000000 144.242 > 11 25 Sb 0.00000000000000 0.00000000000000 0.50000000000000 121.760 > 25 26 Sb 0.50000000000000 0.00000000000000 0.50000000000000 121.760 > 25 27 Sb 0.00000000000000 0.00000000000000 0.00000000000000 121.760 > 27 28 Sb 0.50000000000000 0.00000000000000 0.00000000000000 121.760 > 27 29 Sb 0.25000000000000 0.50000000000000 0.50000000000000 121.760 > 25 30 Sb 0.75000000000000 0.50000000000000 0.50000000000000 121.760 > 25 31 Sb 0.25000000000000 0.50000000000000 0.00000000000000 121.760 > 27 32 Sb 0.75000000000000 0.50000000000000 0.00000000000000 121.760 > 27 33 O 0.25000000000000 0.56391163193560 0.75000000000000 15.999 > 33 34 O 0.75000000000000 0.56391163193560 0.75000000000000 15.999 > 33 35 O 0.40364042413400 0.87750037953970 0.97180523327451 15.999 > 35 36 O 0.90364042413400 0.87750037953970 0.97180523327451 15.999 > 35 37 O 0.09635957586600 0.87750037953970 0.52819476672549 15.999 > 37 38 O 0.59635957586600 0.87750037953970 0.52819476672549 15.999 > 37 39 O 0.40364042413400 0.87750037953970 0.52819476672549 15.999 > 39 40 O 0.90364042413400 0.87750037953970 0.52819476672549 15.999 > 39 41 O 0.09635957586600 0.87750037953970 0.97180523327451 15.999 > 41 42 O 0.59635957586600 0.87750037953970 0.97180523327451 15.999 > 41 43 O 0.25000000000000 0.86595068746137 0.75000000000000 15.999 > 43 44 O 0.75000000000000 0.86595068746137 0.75000000000000 15.999 > 43 45 O 0.25000000000000 0.87043535144365 0.25000000000000 15.999 > 45 46 O 0.75000000000000 0.87043535144365 0.25000000000000 15.999 > 45 47 O 0.25000000000000 0.12956464855635 0.75000000000000 15.999 > 47 48 O 0.75000000000000 0.12956464855635 0.75000000000000 15.999 > 47 49 O 0.25000000000000 0.13404931253863 0.25000000000000 15.999 > 49 50 O 0.75000000000000 0.13404931253863 0.25000000000000 15.999 > 49 51 O 0.09635957586600 0.12249962046030 0.02819476672549 15.999 > 51 52 O 0.59635957586600 0.12249962046030 0.02819476672549 15.999 > 51 53 O 0.40364042413400 0.12249962046030 0.47180523327451 15.999 > 53 54 O 0.90364042413400 0.12249962046030 0.47180523327451 15.999 > 53 55 O 0.40364042413400 0.12249962046030 0.02819476672549 15.999 > 55 56 O 0.90364042413400 0.12249962046030 0.02819476672549 15.999 > 55 57 O 0.09635957586600 0.12249962046030 0.47180523327451 15.999 > 57 58 O 0.59635957586600 0.12249962046030 0.47180523327451 15.999 > 57 59 O 0.25000000000000 0.43608836806440 0.25000000000000 15.999 > 59 60 O 0.75000000000000 0.43608836806440 0.25000000000000 15.999 > 59 61 O 0.00000000000000 0.06391163193560 0.75000000000000 15.999 > 33 62 O 0.50000000000000 0.06391163193560 0.75000000000000 15.999 > 33 63 O 0.15364042413400 0.37750037953970 0.97180523327451 15.999 > 35 64 O 0.65364042413400 0.37750037953970 0.97180523327451 15.999 > 35 65 O 0.34635957586600 0.37750037953970 0.52819476672549 15.999 > 37 66 O 0.84635957586600 0.37750037953970 0.52819476672549 15.999 > 37 67 O 0.15364042413400 0.37750037953970 0.52819476672549 15.999 > 39 68 O 0.65364042413400 0.37750037953970 0.52819476672549 15.999 > 39 69 O 0.34635957586600 0.37750037953970 0.97180523327451 15.999 > 41 70 O 0.84635957586600 0.37750037953970 0.97180523327451 15.999 > 41 71 O 0.00000000000000 0.36595068746137 0.75000000000000 15.999 > 43 72 O 0.50000000000000 0.36595068746137 0.75000000000000 15.999 > 43 73 O 0.00000000000000 0.37043535144365 0.25000000000000 15.999 > 45 74 O 0.50000000000000 0.37043535144365 0.25000000000000 15.999 > 45 75 O 0.00000000000000 0.62956464855635 0.75000000000000 15.999 > 47 76 O 0.50000000000000 0.62956464855635 0.75000000000000 15.999 > 47 77 O 0.00000000000000 0.63404931253863 0.25000000000000 15.999 > 49 78 O 0.50000000000000 0.63404931253863 0.25000000000000 15.999 > 49 79 O 0.34635957586600 0.62249962046030 0.02819476672549 15.999 > 51 80 O 0.84635957586600 0.62249962046030 0.02819476672549 15.999 > 51 81 O 0.15364042413400 0.62249962046030 0.47180523327451 15.999 > 53 82 O 0.65364042413400 0.62249962046030 0.47180523327451 15.999 > 53 83 O 0.15364042413400 0.62249962046030 0.02819476672549 15.999 > 55 84 O 0.65364042413400 0.62249962046030 0.02819476672549 15.999 > 55 85 O 0.34635957586600 0.62249962046030 0.47180523327451 15.999 > 57 86 O 0.84635957586600 0.62249962046030 0.47180523327451 15.999 > 57 87 O 0.00000000000000 0.93608836806440 0.25000000000000 15.999 > 59 88 O 0.50000000000000 0.93608836806440 0.25000000000000 15.999 > 59 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.4474014 0.0000000 0.0000000 0.0000000 4.5066455 0.0000000 0.0000000 0.0000000 4.5055656 -------------------------- Born effective charges -------------------------- 1 Nd 3.9391262 0.3035513 0.0000000 0.4151343 4.2247683 0.0000000 0.0000000 0.0000000 3.8749277 2 Nd 3.9391262 -0.3035513 0.0000000 -0.4151343 4.2247683 0.0000000 0.0000000 0.0000000 3.8749277 3 Nd 3.7556701 0.0000000 0.0000000 0.0000000 3.8739721 -0.1708112 0.0000000 -0.0396279 4.6855099 4 Nd 3.7556701 0.0000000 0.0000000 0.0000000 3.8739721 0.1708112 0.0000000 0.0396279 4.6855099 5 Nd 3.9391262 -0.3035513 0.0000000 -0.4151343 4.2247683 0.0000000 0.0000000 0.0000000 3.8749277 6 Nd 3.9391262 0.3035513 0.0000000 0.4151343 4.2247683 0.0000000 0.0000000 0.0000000 3.8749277 7 Sb 5.0226863 0.0000000 0.0000000 0.0000000 4.8297704 0.4199661 0.0000000 0.8362354 4.7843770 8 Sb 5.0226863 0.0000000 0.0000000 0.0000000 4.8297704 -0.4199661 0.0000000 -0.8362354 4.7843770 9 O -1.7083230 0.0000000 0.0000000 0.0000000 -2.0620739 0.0000000 0.0000000 0.0000000 -3.0287984 10 O -2.2774125 -0.4241987 -0.1109687 -0.4130735 -2.4021092 -0.1086813 -0.1789399 -0.1963156 -2.2189262 11 O -2.2774125 0.4241987 -0.1109687 0.4130735 -2.4021092 0.1086813 -0.1789399 0.1963156 -2.2189262 12 O -2.2774125 -0.4241987 0.1109687 -0.4130735 -2.4021092 0.1086813 0.1789399 0.1963156 -2.2189262 13 O -2.2774125 0.4241987 0.1109687 0.4130735 -2.4021092 -0.1086813 0.1789399 -0.1963156 -2.2189262 14 O -2.8282758 0.0000000 0.0000000 0.0000000 -2.9342170 0.0000000 0.0000000 0.0000000 -2.6237274 15 O -3.0103600 0.0000000 0.0000000 0.0000000 -2.5485514 0.0000000 0.0000000 0.0000000 -2.6915118 16 O -3.0103600 0.0000000 0.0000000 0.0000000 -2.5485514 0.0000000 0.0000000 0.0000000 -2.6915118 17 O -2.8282758 0.0000000 0.0000000 0.0000000 -2.9342170 0.0000000 0.0000000 0.0000000 -2.6237274 18 O -2.2774125 -0.4241987 -0.1109687 -0.4130735 -2.4021092 -0.1086813 -0.1789399 -0.1963156 -2.2189262 19 O -2.2774125 0.4241987 -0.1109687 0.4130735 -2.4021092 0.1086813 -0.1789399 0.1963156 -2.2189262 20 O -2.2774125 0.4241987 0.1109687 0.4130735 -2.4021092 -0.1086813 0.1789399 -0.1963156 -2.2189262 21 O -2.2774125 -0.4241987 0.1109687 -0.4130735 -2.4021092 0.1086813 0.1789399 0.1963156 -2.2189262 22 O -1.7083230 0.0000000 0.0000000 0.0000000 -2.0620739 0.0000000 0.0000000 0.0000000 -3.0287984 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zyz) 0.00000000 (zyz) 0.00000000 (zzy) 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: 0.61, Number of G-points: 287, 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: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 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 1.069 ( 0.000 0.000 0.000) 0.000 1.083 ( 0.000 0.000 0.000) 0.000 2.632 ( 0.000 0.000 0.000) 0.000 2.781 ( 0.000 0.000 0.000) 0.000 2.929 ( 0.000 0.000 0.000) 0.000 2.950 ( 0.000 0.000 0.000) 0.000 3.680 ( 0.000 0.000 0.000) 0.000 3.780 ( 0.000 0.000 0.000) 0.000 3.887 ( 0.000 0.000 0.000) 0.000 3.943 ( 0.000 0.000 0.000) 0.000 4.001 ( 0.000 0.000 0.000) 0.000 4.411 ( 0.000 0.000 0.000) 0.000 4.487 ( 0.000 0.000 0.000) 0.000 4.709 ( 0.000 0.000 0.000) 0.000 4.914 ( 0.000 0.000 0.000) 0.000 5.212 ( 0.000 0.000 0.000) 0.000 5.280 ( 0.000 0.000 0.000) 0.000 5.402 ( 0.000 0.000 0.000) 0.000 5.413 ( 0.000 0.000 0.000) 0.000 5.587 ( 0.000 0.000 0.000) 0.000 5.797 ( 0.000 0.000 0.000) 0.000 6.660 ( 0.000 0.000 0.000) 0.000 7.143 ( 0.000 0.000 0.000) 0.000 7.164 ( 0.000 0.000 0.000) 0.000 7.522 ( 0.000 0.000 0.000) 0.000 7.796 ( 0.000 0.000 0.000) 0.000 8.120 ( 0.000 0.000 0.000) 0.000 8.299 ( 0.000 0.000 0.000) 0.000 8.647 ( 0.000 0.000 0.000) 0.000 8.861 ( 0.000 0.000 0.000) 0.000 9.579 ( 0.000 0.000 0.000) 0.000 9.593 ( 0.000 0.000 0.000) 0.000 9.640 ( 0.000 0.000 0.000) 0.000 10.026 ( 0.000 0.000 0.000) 0.000 10.072 ( 0.000 0.000 0.000) 0.000 10.073 ( 0.000 0.000 0.000) 0.000 10.263 ( 0.000 0.000 0.000) 0.000 10.324 ( 0.000 0.000 0.000) 0.000 10.708 ( 0.000 0.000 0.000) 0.000 10.865 ( 0.000 0.000 0.000) 0.000 11.059 ( 0.000 0.000 0.000) 0.000 11.111 ( 0.000 0.000 0.000) 0.000 11.442 ( 0.000 0.000 0.000) 0.000 11.968 ( 0.000 0.000 0.000) 0.000 12.577 ( 0.000 0.000 0.000) 0.000 13.041 ( 0.000 0.000 0.000) 0.000 13.055 ( 0.000 0.000 0.000) 0.000 13.099 ( 0.000 0.000 0.000) 0.000 13.470 ( 0.000 0.000 0.000) 0.000 14.491 ( 0.000 0.000 0.000) 0.000 14.593 ( 0.000 0.000 0.000) 0.000 15.313 ( 0.000 0.000 0.000) 0.000 15.612 ( 0.000 0.000 0.000) 0.000 16.850 ( 0.000 0.000 0.000) 0.000 16.930 ( 0.000 0.000 0.000) 0.000 17.359 ( 0.000 0.000 0.000) 0.000 17.959 ( 0.000 0.000 0.000) 0.000 18.360 ( 0.000 0.000 0.000) 0.000 18.663 ( 0.000 0.000 0.000) 0.000 19.054 ( 0.000 0.000 0.000) 0.000 19.872 ( 0.000 0.000 0.000) 0.000 20.274 ( 0.000 0.000 0.000) 0.000 21.637 ( 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: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( 25.614 -14.395 0.000) 29.382 0.690 ( 25.025 -22.327 0.000) 33.537 1.199 ( 45.101 -36.809 0.000) 58.215 1.219 ( 14.871 -0.075 0.000) 14.871 1.772 ( 23.008 24.940 0.000) 33.932 2.636 ( -0.132 -0.374 0.000) 0.397 2.778 ( -10.650 -12.218 0.000) 16.208 2.873 ( -7.456 -0.119 0.000) 7.457 3.005 ( 7.340 1.451 0.000) 7.482 3.671 ( -12.936 -0.869 0.000) 12.965 3.672 ( 0.415 1.852 0.000) 1.898 3.895 ( -6.351 -2.637 0.000) 6.877 3.954 ( -1.601 5.166 0.000) 5.408 4.038 ( 11.704 17.074 0.000) 20.700 4.388 ( -3.449 4.913 0.000) 6.003 4.391 ( -4.019 5.046 0.000) 6.451 4.796 ( -7.293 3.022 0.000) 7.894 4.941 ( -1.782 7.581 0.000) 7.788 5.183 ( 10.062 16.376 0.000) 19.220 5.367 ( -0.761 21.563 0.000) 21.576 5.388 ( 1.987 4.618 0.000) 5.027 5.565 ( 9.760 -5.668 0.000) 11.287 5.767 ( -3.914 -17.077 0.000) 17.519 6.084 ( -5.375 -9.917 0.000) 11.280 6.627 ( -3.186 1.867 0.000) 3.693 7.171 ( 2.507 -0.810 0.000) 2.634 7.295 ( 8.081 -8.982 0.000) 12.082 7.550 ( -0.280 0.013 0.000) 0.281 7.843 ( 2.117 -5.015 0.000) 5.443 8.180 ( 5.364 -1.895 0.000) 5.689 8.342 ( -4.836 -0.420 0.000) 4.854 8.665 ( -2.889 -5.020 0.000) 5.791 9.225 ( -27.731 -41.890 0.000) 50.237 9.441 ( -8.156 1.727 0.000) 8.337 9.538 ( -4.644 10.240 0.000) 11.244 9.706 ( 6.377 0.289 0.000) 6.384 10.037 ( -4.054 -10.089 0.000) 10.873 10.042 ( -3.546 -0.228 0.000) 3.553 10.258 ( 0.668 0.045 0.000) 0.670 10.351 ( 1.123 -1.448 0.000) 1.833 10.574 ( 6.726 4.123 0.000) 7.889 10.712 ( 1.170 1.285 0.000) 1.738 10.843 ( -3.972 -1.685 0.000) 4.314 11.030 ( -2.467 1.456 0.000) 2.865 11.481 ( 4.659 1.187 0.000) 4.808 11.830 ( 18.153 17.420 0.000) 25.159 12.464 ( -9.959 -2.394 0.000) 10.243 12.663 ( -2.394 -5.078 0.000) 5.614 12.964 ( -8.607 4.398 0.000) 9.665 13.052 ( -4.753 -0.331 0.000) 4.764 13.526 ( 3.695 -3.682 0.000) 5.216 14.230 ( 11.565 24.302 0.000) 26.914 14.624 ( 11.205 4.038 0.000) 11.910 15.014 ( -11.040 -10.630 0.000) 15.326 15.629 ( 2.840 3.092 0.000) 4.198 15.821 ( 12.112 12.306 0.000) 17.266 16.765 ( -6.466 2.439 0.000) 6.911 16.963 ( 5.349 4.475 0.000) 6.974 17.305 ( -5.941 -0.629 0.000) 5.974 18.218 ( -19.427 -29.263 0.000) 35.124 18.443 ( 5.881 -4.294 0.000) 7.282 19.015 ( 1.252 8.450 0.000) 8.542 19.884 ( 0.731 -0.983 0.000) 1.225 20.265 ( 0.109 -1.526 0.000) 1.530 20.312 ( 5.837 2.870 0.000) 6.504 21.624 ( -0.872 0.904 0.000) 1.256 ======================= Grid point 2 (3/84) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( 20.398 -5.296 0.000) 21.075 1.317 ( 21.332 -19.675 0.000) 29.020 1.499 ( 16.974 -0.033 0.000) 16.974 1.877 ( 10.993 -1.547 0.000) 11.101 2.338 ( 38.987 -30.194 0.000) 49.312 2.613 ( -3.433 2.058 0.000) 4.003 2.660 ( -19.035 -1.807 0.000) 19.121 2.777 ( -8.476 -19.314 0.000) 21.092 3.134 ( 10.379 2.513 0.000) 10.679 3.478 ( -11.453 -5.468 0.000) 12.691 3.641 ( -1.565 2.934 0.000) 3.325 3.827 ( -6.176 -4.106 0.000) 7.416 3.842 ( -3.787 8.175 0.000) 9.010 3.980 ( 9.432 19.252 0.000) 21.438 4.143 ( -7.875 12.208 0.000) 14.528 4.320 ( -2.534 4.345 0.000) 5.030 4.666 ( -4.688 2.748 0.000) 5.434 4.866 ( -3.337 -2.833 0.000) 4.377 5.086 ( -7.695 14.017 0.000) 15.990 5.172 ( 8.603 14.559 0.000) 16.911 5.383 ( 4.166 4.974 0.000) 6.488 5.767 ( 6.690 -4.577 0.000) 8.106 5.851 ( -6.443 -11.831 0.000) 13.472 6.090 ( -4.448 -6.160 0.000) 7.597 6.531 ( -4.423 3.131 0.000) 5.419 7.226 ( 2.656 -0.626 0.000) 2.728 7.521 ( -0.690 3.805 0.000) 3.867 7.570 ( 9.402 -11.130 0.000) 14.570 7.980 ( 3.724 -10.643 0.000) 11.276 8.274 ( -1.227 2.090 0.000) 2.424 8.329 ( 7.483 -3.889 0.000) 8.433 8.623 ( -6.701 -1.050 0.000) 6.783 9.242 ( -7.240 15.447 0.000) 17.059 9.267 ( -9.634 -18.200 0.000) 20.593 9.320 ( -6.758 4.868 0.000) 8.329 9.780 ( 1.262 -1.543 0.000) 1.993 9.989 ( -0.558 2.005 0.000) 2.081 10.180 ( 2.841 -16.339 0.000) 16.584 10.291 ( 1.500 -2.206 0.000) 2.667 10.379 ( 0.443 -1.055 0.000) 1.144 10.657 ( 8.800 4.313 0.000) 9.800 10.714 ( 1.545 2.093 0.000) 2.602 10.784 ( -6.351 -4.158 0.000) 7.591 10.951 ( -4.145 2.228 0.000) 4.706 11.529 ( 6.074 6.887 0.000) 9.182 11.970 ( 12.024 1.936 0.000) 12.179 12.344 ( -5.880 -0.289 0.000) 5.888 12.637 ( -4.122 0.531 0.000) 4.156 12.676 ( -16.113 7.911 0.000) 17.950 12.951 ( -7.379 0.102 0.000) 7.380 13.653 ( 4.974 -4.782 0.000) 6.900 14.224 ( 10.673 9.623 0.000) 14.371 14.706 ( 4.690 3.858 0.000) 6.073 14.939 ( -5.819 -0.711 0.000) 5.862 15.601 ( 2.813 9.191 0.000) 9.612 15.941 ( 6.071 -5.808 0.000) 8.401 16.617 ( -5.681 4.645 0.000) 7.338 16.990 ( 4.413 4.735 0.000) 6.473 17.212 ( -6.693 -1.953 0.000) 6.972 18.246 ( -9.870 -16.996 0.000) 19.654 18.602 ( 6.151 -4.440 0.000) 7.586 18.903 ( 1.131 13.900 0.000) 13.946 19.916 ( 1.164 -1.577 0.000) 1.961 20.296 ( 0.041 -3.110 0.000) 3.110 20.386 ( 4.116 -1.026 0.000) 4.242 21.592 ( -1.257 1.320 0.000) 1.823 ======================= Grid point 3 (4/84) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 8.979 2.846 0.000) 9.419 1.720 ( 8.791 0.174 0.000) 8.793 1.832 ( 15.747 -16.294 0.000) 22.660 2.102 ( 6.680 -10.378 0.000) 12.342 2.312 ( -19.468 -1.602 0.000) 19.534 2.506 ( -6.484 5.807 0.000) 8.704 2.801 ( -1.755 -14.813 0.000) 14.916 3.179 ( 8.933 -6.275 0.000) 10.917 3.434 ( 26.469 -18.296 0.000) 32.177 3.454 ( -1.741 -6.994 0.000) 7.207 3.563 ( -0.412 2.245 0.000) 2.283 3.609 ( -6.824 12.089 0.000) 13.882 3.796 ( -5.154 -6.591 0.000) 8.368 3.902 ( -3.469 11.589 0.000) 12.097 4.018 ( 12.663 7.630 0.000) 14.784 4.215 ( -3.094 4.976 0.000) 5.860 4.574 ( -2.500 2.658 0.000) 3.649 4.803 ( -7.150 10.228 0.000) 12.479 4.861 ( -2.983 -1.862 0.000) 3.517 5.034 ( -7.059 15.063 0.000) 16.635 5.402 ( 3.319 2.952 0.000) 4.442 5.882 ( 2.674 -2.239 0.000) 3.488 5.886 ( -1.331 -9.020 0.000) 9.118 6.088 ( -2.469 -1.874 0.000) 3.099 6.436 ( -3.358 1.067 0.000) 3.524 7.271 ( 2.126 -0.964 0.000) 2.335 7.448 ( -1.794 4.805 0.000) 5.129 7.806 ( 5.802 -6.430 0.000) 8.660 8.215 ( 5.121 -17.327 0.000) 18.068 8.255 ( 0.067 -0.892 0.000) 0.895 8.491 ( -1.313 -0.079 0.000) 1.315 8.501 ( 2.277 0.578 0.000) 2.349 8.898 ( -7.129 21.316 0.000) 22.477 9.196 ( -4.197 1.796 0.000) 4.565 9.312 ( -4.273 -8.543 0.000) 9.552 9.783 ( -2.430 -1.807 0.000) 3.029 9.990 ( 2.700 1.852 0.000) 3.274 10.343 ( 1.415 -2.034 0.000) 2.478 10.389 ( -0.183 -0.345 0.000) 0.391 10.417 ( 3.776 -9.033 0.000) 9.790 10.719 ( 1.694 1.424 0.000) 2.213 10.727 ( 4.538 2.736 0.000) 5.299 10.808 ( -1.100 -12.697 0.000) 12.744 10.856 ( -4.069 1.871 0.000) 4.479 11.526 ( 6.255 9.733 0.000) 11.569 12.151 ( 8.039 -1.804 0.000) 8.239 12.289 ( -0.670 0.511 0.000) 0.843 12.303 ( -14.228 7.448 0.000) 16.060 12.536 ( -7.174 1.793 0.000) 7.395 12.829 ( -6.047 0.405 0.000) 6.061 13.773 ( 3.386 -3.144 0.000) 4.621 14.311 ( 7.546 3.141 0.000) 8.174 14.713 ( 0.824 1.702 0.000) 1.891 14.853 ( -2.894 2.363 0.000) 3.736 15.536 ( 1.268 6.717 0.000) 6.836 16.105 ( 3.801 -6.595 0.000) 7.612 16.494 ( -3.182 3.305 0.000) 4.588 17.002 ( 2.735 3.199 0.000) 4.209 17.141 ( -4.394 -1.850 0.000) 4.768 18.284 ( -5.727 -11.519 0.000) 12.864 18.724 ( 3.453 -2.419 0.000) 4.216 18.755 ( 0.767 12.902 0.000) 12.925 19.951 ( 0.920 -1.252 0.000) 1.553 20.329 ( 0.319 -1.814 0.000) 1.842 20.457 ( 2.225 -1.600 0.000) 2.741 21.559 ( -0.909 0.966 0.000) 1.326 ======================= Grid point 4 (5/84) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( 0.000 -0.000 0.000) 0.000 1.780 ( 0.000 -0.000 0.000) 0.000 2.139 ( 0.000 0.000 0.000) 0.000 2.161 ( -0.000 -0.000 0.000) 0.000 2.239 ( 0.000 -0.000 0.000) 0.000 2.329 ( 0.000 -0.000 0.000) 0.000 2.885 ( 0.000 -0.000 0.000) 0.000 3.313 ( 0.000 0.000 0.000) 0.000 3.374 ( 0.000 -0.000 0.000) 0.000 3.500 ( 0.000 -0.000 0.000) 0.000 3.508 ( 0.000 -0.000 0.000) 0.000 3.787 ( -0.000 -0.000 0.000) 0.000 3.808 ( 0.000 0.000 0.000) 0.000 3.993 ( -0.000 0.000 0.000) 0.000 4.095 ( -0.000 -0.000 0.000) 0.000 4.147 ( 0.000 -0.000 0.000) 0.000 4.536 ( 0.000 -0.000 0.000) 0.000 4.670 ( 0.000 0.000 0.000) 0.000 4.741 ( 0.000 -0.000 0.000) 0.000 4.850 ( -0.000 -0.000 0.000) 0.000 5.413 ( 0.000 0.000 0.000) 0.000 5.915 ( 0.000 -0.000 0.000) 0.000 5.977 ( 0.000 -0.000 0.000) 0.000 6.045 ( 0.000 -0.000 0.000) 0.000 6.405 ( 0.000 -0.000 0.000) 0.000 7.311 ( -0.000 -0.000 0.000) 0.000 7.383 ( 0.000 -0.000 0.000) 0.000 7.892 ( 0.000 -0.000 0.000) 0.000 8.277 ( 0.000 -0.000 0.000) 0.000 8.405 ( 0.000 0.000 0.000) 0.000 8.510 ( -0.000 0.000 0.000) 0.000 8.565 ( 0.000 -0.000 0.000) 0.000 8.580 ( 0.000 -0.000 0.000) 0.000 9.149 ( 0.000 -0.000 0.000) 0.000 9.323 ( 0.000 -0.000 0.000) 0.000 9.770 ( 0.000 -0.000 0.000) 0.000 10.006 ( 0.000 -0.000 0.000) 0.000 10.373 ( 0.000 -0.000 0.000) 0.000 10.384 ( 0.000 -0.000 0.000) 0.000 10.482 ( 0.000 -0.000 0.000) 0.000 10.732 ( 0.000 -0.000 0.000) 0.000 10.758 ( 0.000 -0.000 0.000) 0.000 10.801 ( 0.000 -0.000 0.000) 0.000 10.914 ( 0.000 -0.000 0.000) 0.000 11.529 ( 0.000 -0.000 0.000) 0.000 12.068 ( 0.000 -0.000 0.000) 0.000 12.271 ( 0.000 -0.000 0.000) 0.000 12.362 ( -0.000 0.000 0.000) 0.000 12.381 ( 0.000 -0.000 0.000) 0.000 12.773 ( 0.000 0.000 0.000) 0.000 13.821 ( 0.000 -0.000 0.000) 0.000 14.361 ( 0.000 -0.000 0.000) 0.000 14.709 ( 0.000 -0.000 0.000) 0.000 14.811 ( 0.000 0.000 0.000) 0.000 15.505 ( 0.000 -0.000 0.000) 0.000 16.180 ( 0.000 -0.000 0.000) 0.000 16.448 ( 0.000 -0.000 0.000) 0.000 17.006 ( 0.000 -0.000 0.000) 0.000 17.115 ( -0.000 -0.000 0.000) 0.000 18.308 ( 0.000 0.000 0.000) 0.000 18.676 ( 0.000 -0.000 0.000) 0.000 18.766 ( 0.000 -0.000 0.000) 0.000 19.967 ( 0.000 -0.000 0.000) 0.000 20.343 ( 0.000 -0.000 0.000) 0.000 20.486 ( 0.000 -0.000 0.000) 0.000 21.545 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 10 (6/84) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( 29.388 0.000 0.000) 29.388 1.075 ( 32.253 0.000 0.000) 32.253 1.501 ( 17.517 0.000 0.000) 17.517 1.777 ( 34.755 0.000 0.000) 34.755 2.122 ( 21.339 0.000 0.000) 21.339 2.497 ( -12.704 -0.000 0.000) 12.704 2.631 ( -22.142 -0.000 0.000) 22.142 2.640 ( 0.632 0.000 0.000) 0.632 3.163 ( 9.871 0.000 0.000) 9.871 3.405 ( -13.385 -0.000 0.000) 13.385 3.654 ( -2.913 -0.000 0.000) 2.913 3.775 ( -7.097 -0.000 0.000) 7.097 3.936 ( -3.848 -0.000 0.000) 3.848 4.316 ( -8.130 -0.000 0.000) 8.130 4.371 ( -2.790 -0.000 0.000) 2.790 4.373 ( 15.371 0.000 0.000) 15.371 4.649 ( -17.528 -0.000 0.000) 17.528 4.680 ( -6.361 -0.000 0.000) 6.361 5.301 ( -15.667 -0.000 0.000) 15.667 5.466 ( 1.116 0.000 0.000) 1.116 5.569 ( 5.592 0.000 0.000) 5.592 5.699 ( 10.851 0.000 0.000) 10.851 5.703 ( -8.062 -0.000 0.000) 8.062 5.884 ( 4.087 0.000 0.000) 4.087 6.564 ( -5.718 -0.000 0.000) 5.718 7.197 ( 3.020 0.000 0.000) 3.020 7.415 ( 11.815 0.000 0.000) 11.815 7.565 ( 0.289 0.000 0.000) 0.289 7.864 ( 3.840 0.000 0.000) 3.840 8.151 ( -8.268 -0.000 0.000) 8.268 8.298 ( 9.079 0.000 0.000) 9.079 8.579 ( -4.293 -0.000 0.000) 4.293 9.089 ( 14.245 0.000 0.000) 14.245 9.317 ( -7.650 -0.000 0.000) 7.650 9.496 ( -7.727 -0.000 0.000) 7.727 9.758 ( -0.388 -0.000 0.000) 0.388 9.946 ( 1.479 0.000 0.000) 1.479 10.030 ( 2.332 0.000 0.000) 2.332 10.243 ( -0.875 -0.000 0.000) 0.875 10.371 ( 1.358 0.000 0.000) 1.358 10.675 ( -1.123 -0.000 0.000) 1.123 10.740 ( 1.199 0.000 0.000) 1.199 10.786 ( 0.131 0.000 0.000) 0.131 10.978 ( -4.689 -0.000 0.000) 4.689 11.587 ( 8.880 0.000 0.000) 8.880 12.081 ( 6.133 0.000 0.000) 6.133 12.307 ( -6.289 -0.000 0.000) 6.289 12.617 ( -2.601 -0.000 0.000) 2.601 12.778 ( -16.618 -0.000 0.000) 16.618 12.920 ( -8.053 -0.000 0.000) 8.053 13.590 ( 6.286 0.000 0.000) 6.286 14.417 ( 0.945 0.000 0.000) 0.945 14.813 ( -3.729 -0.000 0.000) 3.729 14.897 ( 9.669 0.000 0.000) 9.669 15.690 ( 3.784 0.000 0.000) 3.784 15.931 ( -3.475 -0.000 0.000) 3.475 16.663 ( -7.420 -0.000 0.000) 7.420 17.074 ( 4.716 0.000 0.000) 4.716 17.176 ( -8.153 -0.000 0.000) 8.153 17.815 ( -7.031 -0.000 0.000) 7.031 18.545 ( 8.388 0.000 0.000) 8.388 19.248 ( 9.799 0.000 0.000) 9.799 19.896 ( 1.377 0.000 0.000) 1.377 20.228 ( -1.534 -0.000 0.000) 1.534 20.366 ( 1.653 0.000 0.000) 1.653 21.608 ( -1.600 -0.000 0.000) 1.600 ======================= Grid point 11 (7/84) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( 20.767 -7.355 0.000) 22.031 1.551 ( 26.340 6.537 0.000) 27.139 1.741 ( 11.081 0.511 0.000) 11.093 1.975 ( 3.488 1.289 0.000) 3.718 2.262 ( -17.981 -1.637 0.000) 18.055 2.435 ( -0.294 -13.795 0.000) 13.798 2.635 ( 0.452 3.938 0.000) 3.964 2.827 ( 38.713 -11.742 0.000) 40.454 3.299 ( -3.175 -4.717 0.000) 5.686 3.301 ( 6.715 -0.580 0.000) 6.740 3.591 ( -3.946 0.447 0.000) 3.971 3.669 ( -7.433 -3.218 0.000) 8.100 3.833 ( -6.119 4.590 0.000) 7.649 4.141 ( -6.986 6.799 0.000) 9.748 4.296 ( -1.284 13.086 0.000) 13.149 4.301 ( -4.206 2.016 0.000) 4.665 4.602 ( -3.810 -0.049 0.000) 3.811 4.700 ( 2.717 -8.475 0.000) 8.900 4.985 ( -15.897 4.590 0.000) 16.546 5.436 ( -6.924 13.974 0.000) 15.595 5.441 ( -2.756 0.797 0.000) 2.869 5.678 ( -1.417 -6.980 0.000) 7.123 5.865 ( 8.355 0.121 0.000) 8.356 6.003 ( 5.407 -3.896 0.000) 6.664 6.450 ( -7.497 0.163 0.000) 7.499 7.251 ( 2.142 -0.778 0.000) 2.279 7.528 ( -3.440 1.842 0.000) 3.902 7.644 ( 10.929 -5.653 0.000) 12.305 7.961 ( 4.500 -4.613 0.000) 6.445 8.072 ( -9.304 -10.271 0.000) 13.859 8.446 ( 3.472 -1.746 0.000) 3.887 8.515 ( 0.049 0.334 0.000) 0.338 9.198 ( -6.196 0.957 0.000) 6.269 9.301 ( -8.468 9.266 0.000) 12.552 9.330 ( 17.263 6.554 0.000) 18.465 9.739 ( -1.871 -1.607 0.000) 2.466 10.069 ( 3.904 3.890 0.000) 5.511 10.122 ( 10.473 -12.701 0.000) 16.462 10.259 ( 0.142 -3.960 0.000) 3.963 10.384 ( 0.054 -0.214 0.000) 0.221 10.614 ( -5.359 -2.842 0.000) 6.066 10.748 ( 0.371 0.798 0.000) 0.881 10.790 ( -0.127 1.551 0.000) 1.556 10.887 ( -5.475 0.688 0.000) 5.518 11.732 ( 10.677 5.513 0.000) 12.017 12.153 ( 5.379 2.541 0.000) 5.949 12.253 ( -2.897 -3.078 0.000) 4.227 12.458 ( -17.160 3.991 0.000) 17.619 12.543 ( -7.077 -0.631 0.000) 7.105 12.798 ( -7.968 -1.725 0.000) 8.153 13.709 ( 6.109 -1.786 0.000) 6.364 14.408 ( 1.532 3.522 0.000) 3.840 14.750 ( -2.752 0.722 0.000) 2.845 14.984 ( 4.775 6.782 0.000) 8.294 15.706 ( -1.335 5.322 0.000) 5.487 15.909 ( 0.651 -6.923 0.000) 6.954 16.532 ( -7.643 0.462 0.000) 7.657 17.050 ( -5.229 0.459 0.000) 5.249 17.138 ( 2.969 1.154 0.000) 3.186 17.800 ( -9.346 -16.510 0.000) 18.972 18.682 ( 6.694 -1.017 0.000) 6.771 19.294 ( 10.668 19.465 0.000) 22.196 19.926 ( 1.693 -0.682 0.000) 1.825 20.244 ( -0.557 -5.310 0.000) 5.340 20.400 ( 1.073 -1.843 0.000) 2.133 21.576 ( -1.792 0.417 0.000) 1.840 ======================= Grid point 12 (8/84) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( 7.385 17.666 0.000) 19.148 1.779 ( 2.625 -0.150 0.000) 2.629 1.934 ( 10.188 -7.969 0.000) 12.935 2.157 ( 12.419 -6.098 0.000) 13.836 2.210 ( 9.377 -0.145 0.000) 9.378 2.529 ( -2.674 11.816 0.000) 12.115 2.710 ( 10.286 -14.051 0.000) 17.414 3.234 ( 3.021 -0.468 0.000) 3.057 3.383 ( 2.507 -8.338 0.000) 8.707 3.407 ( -8.632 -1.514 0.000) 8.764 3.625 ( -3.613 -5.842 0.000) 6.869 3.632 ( -4.678 8.862 0.000) 10.021 3.710 ( 16.803 -11.487 0.000) 20.354 3.978 ( -2.267 6.453 0.000) 6.840 4.198 ( -4.329 2.910 0.000) 5.216 4.275 ( 7.283 0.233 0.000) 7.287 4.544 ( -2.772 0.718 0.000) 2.864 4.574 ( -16.918 -1.068 0.000) 16.952 4.816 ( -5.025 8.150 0.000) 9.574 5.113 ( -8.008 13.895 0.000) 16.038 5.372 ( -6.643 -2.628 0.000) 7.144 5.787 ( 1.965 -11.450 0.000) 11.617 5.960 ( 5.250 2.815 0.000) 5.957 6.124 ( 5.622 2.595 0.000) 6.192 6.356 ( -3.929 -3.154 0.000) 5.038 7.282 ( 0.551 -1.336 0.000) 1.445 7.425 ( -5.762 2.072 0.000) 6.123 7.861 ( 7.413 -3.400 0.000) 8.156 8.075 ( -7.050 -12.992 0.000) 14.782 8.124 ( 4.544 -11.814 0.000) 12.658 8.405 ( -3.602 -0.660 0.000) 3.662 8.596 ( 3.874 1.099 0.000) 4.027 8.996 ( -7.252 16.183 0.000) 17.734 9.135 ( -3.812 -0.649 0.000) 3.867 9.496 ( 17.566 12.988 0.000) 21.846 9.749 ( 1.009 -1.593 0.000) 1.886 10.062 ( 1.157 4.370 0.000) 4.521 10.317 ( 0.497 -4.011 0.000) 4.042 10.381 ( -0.898 -0.626 0.000) 1.095 10.467 ( 10.903 -4.962 0.000) 11.979 10.634 ( 0.622 -13.437 0.000) 13.451 10.739 ( -0.810 0.419 0.000) 0.912 10.754 ( -2.579 -0.813 0.000) 2.704 10.803 ( -3.254 0.112 0.000) 3.256 11.748 ( 2.047 13.022 0.000) 13.182 12.101 ( -8.923 2.061 0.000) 9.158 12.230 ( 0.222 -3.598 0.000) 3.605 12.342 ( 1.977 -0.843 0.000) 2.149 12.410 ( -6.148 1.556 0.000) 6.342 12.723 ( -3.884 -3.467 0.000) 5.206 13.807 ( 3.471 -0.895 0.000) 3.585 14.379 ( -2.351 1.374 0.000) 2.724 14.713 ( -1.147 -0.290 0.000) 1.184 14.930 ( 1.437 9.254 0.000) 9.365 15.575 ( -5.154 5.054 0.000) 7.218 16.052 ( 1.951 -9.678 0.000) 9.873 16.421 ( -6.249 -1.756 0.000) 6.491 16.981 ( -3.721 -1.149 0.000) 3.895 17.167 ( 3.727 2.980 0.000) 4.772 17.853 ( -10.309 -20.229 0.000) 22.704 18.771 ( 3.419 0.322 0.000) 3.434 19.204 ( 12.178 26.254 0.000) 28.940 19.960 ( 1.370 -0.476 0.000) 1.451 20.304 ( 0.300 -4.330 0.000) 4.341 20.436 ( -0.400 -3.025 0.000) 3.052 21.546 ( -1.314 0.064 0.000) 1.316 ======================= Grid point 13 (9/84) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( 1.412 14.998 0.000) 15.064 1.719 ( -9.276 0.397 0.000) 9.284 2.192 ( 4.719 5.082 0.000) 6.936 2.323 ( 5.301 7.596 0.000) 9.263 2.333 ( 5.185 6.494 0.000) 8.310 2.438 ( 15.389 0.312 0.000) 15.392 2.986 ( 7.325 -5.626 0.000) 9.236 3.178 ( -9.192 4.240 0.000) 10.123 3.279 ( -3.580 -7.666 0.000) 8.461 3.502 ( 0.389 -6.704 0.000) 6.715 3.525 ( -3.009 -0.777 0.000) 3.108 3.685 ( 4.106 -2.386 0.000) 4.749 3.859 ( -6.792 1.183 0.000) 6.894 3.951 ( 5.814 3.343 0.000) 6.706 4.123 ( -1.942 -0.908 0.000) 2.144 4.207 ( -12.233 28.165 0.000) 30.707 4.487 ( -6.784 -17.063 0.000) 18.362 4.509 ( -1.484 -1.751 0.000) 2.295 4.597 ( -5.235 -10.966 0.000) 12.152 5.068 ( 14.300 6.985 0.000) 15.915 5.298 ( -7.675 -5.667 0.000) 9.540 5.938 ( 0.807 -7.319 0.000) 7.364 5.972 ( 1.595 4.896 0.000) 5.149 6.126 ( 2.629 2.506 0.000) 3.632 6.399 ( 3.113 -1.530 0.000) 3.469 7.299 ( -3.112 1.023 0.000) 3.276 7.329 ( -2.361 -4.566 0.000) 5.140 7.928 ( 1.311 4.096 0.000) 4.301 8.111 ( -6.332 -10.907 0.000) 12.612 8.391 ( 5.245 -19.543 0.000) 20.235 8.412 ( 2.718 -2.925 0.000) 3.993 8.572 ( -2.476 3.855 0.000) 4.582 8.675 ( -6.058 19.474 0.000) 20.395 9.131 ( 0.252 -3.584 0.000) 3.593 9.625 ( 18.277 15.820 0.000) 24.173 9.804 ( 3.888 -0.379 0.000) 3.906 10.007 ( -2.181 3.344 0.000) 3.992 10.337 ( -2.505 -1.754 0.000) 3.058 10.392 ( 1.460 -0.985 0.000) 1.761 10.512 ( -3.589 -1.021 0.000) 3.731 10.698 ( -3.196 -0.128 0.000) 3.198 10.730 ( 1.454 4.406 0.000) 4.640 10.807 ( 1.642 -2.220 0.000) 2.761 10.893 ( 5.037 -10.262 0.000) 11.431 11.506 ( -9.814 10.448 0.000) 14.335 12.106 ( 4.883 -6.784 0.000) 8.359 12.211 ( -9.086 2.293 0.000) 9.371 12.290 ( 4.009 -0.571 0.000) 4.050 12.469 ( 4.061 -3.384 0.000) 5.286 12.759 ( 1.575 -5.182 0.000) 5.416 13.832 ( 0.018 1.767 0.000) 1.767 14.288 ( -7.010 0.882 0.000) 7.066 14.714 ( 0.259 0.252 0.000) 0.361 14.868 ( 1.928 4.040 0.000) 4.477 15.457 ( -4.664 0.350 0.000) 4.678 16.135 ( -2.712 -4.322 0.000) 5.102 16.381 ( -3.724 -5.782 0.000) 6.878 16.947 ( -2.369 -1.289 0.000) 2.697 17.200 ( 4.431 2.719 0.000) 5.199 17.923 ( -10.875 -21.756 0.000) 24.323 18.784 ( 0.205 2.563 0.000) 2.571 19.134 ( 16.803 25.502 0.000) 30.540 19.975 ( 0.454 0.697 0.000) 0.832 20.340 ( 0.162 -1.292 0.000) 1.302 20.443 ( -2.795 -2.269 0.000) 3.600 21.536 ( -0.406 -0.902 0.000) 0.990 ======================= Grid point 14 (10/84) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( -4.993 13.420 0.000) 14.318 1.491 ( -17.266 -0.253 0.000) 17.267 1.855 ( -10.230 24.489 0.000) 26.540 2.126 ( -10.690 18.429 0.000) 21.305 2.550 ( 8.729 -3.134 0.000) 9.275 2.687 ( 14.781 0.028 0.000) 14.781 2.988 ( -13.209 -2.176 0.000) 13.387 3.044 ( -5.466 15.440 0.000) 16.379 3.271 ( -4.925 -2.109 0.000) 5.358 3.461 ( -0.893 10.538 0.000) 10.576 3.560 ( 1.556 -2.544 0.000) 2.982 3.660 ( -6.473 2.420 0.000) 6.910 3.788 ( -3.930 -0.763 0.000) 4.003 3.831 ( 8.984 -4.822 0.000) 10.196 4.022 ( 9.348 6.953 0.000) 11.650 4.182 ( 1.674 -7.215 0.000) 7.406 4.549 ( 0.650 -6.048 0.000) 6.082 4.595 ( -10.645 -20.301 0.000) 22.922 4.675 ( -2.274 -13.962 0.000) 14.146 5.242 ( 12.427 6.999 0.000) 14.263 5.268 ( -3.493 -5.653 0.000) 6.645 5.893 ( -3.550 6.260 0.000) 7.197 5.997 ( 3.295 -0.416 0.000) 3.321 6.199 ( 5.525 0.473 0.000) 5.545 6.451 ( 2.230 -0.711 0.000) 2.341 7.221 ( -4.611 -0.675 0.000) 4.660 7.398 ( 1.023 -6.558 0.000) 6.637 7.823 ( -3.735 9.932 0.000) 10.611 8.121 ( -4.908 -7.919 0.000) 9.317 8.351 ( -4.467 19.653 0.000) 20.154 8.431 ( -5.692 3.044 0.000) 6.455 8.574 ( 8.573 -2.351 0.000) 8.890 8.739 ( 5.285 -23.642 0.000) 24.226 9.220 ( 3.602 -5.775 0.000) 6.807 9.720 ( 16.648 17.306 0.000) 24.014 9.838 ( -0.664 3.424 0.000) 3.488 9.962 ( 1.840 -0.525 0.000) 1.914 10.299 ( -3.687 -0.826 0.000) 3.778 10.423 ( 2.070 1.517 0.000) 2.566 10.446 ( -6.073 -2.821 0.000) 6.696 10.636 ( -1.248 12.757 0.000) 12.818 10.659 ( -2.854 -2.131 0.000) 3.561 10.881 ( 2.753 -3.645 0.000) 4.568 10.961 ( 2.549 6.506 0.000) 6.987 11.340 ( -6.415 -5.105 0.000) 8.198 12.014 ( -10.251 3.174 0.000) 10.731 12.287 ( 3.753 -6.478 0.000) 7.486 12.472 ( 14.096 -6.900 0.000) 15.695 12.563 ( 0.999 -5.724 0.000) 5.811 12.862 ( 1.995 -6.212 0.000) 6.525 13.772 ( -2.365 4.812 0.000) 5.362 14.141 ( -8.712 1.377 0.000) 8.820 14.690 ( -1.194 2.165 0.000) 2.472 14.928 ( 6.378 -1.760 0.000) 6.616 15.424 ( -2.366 -4.305 0.000) 4.913 16.053 ( -8.821 1.695 0.000) 8.983 16.436 ( -0.748 -10.052 0.000) 10.080 16.925 ( -2.015 -0.814 0.000) 2.173 17.253 ( 4.985 1.566 0.000) 5.225 17.992 ( -11.589 -22.001 0.000) 24.867 18.721 ( -2.275 5.249 0.000) 5.721 19.182 ( 22.800 22.645 0.000) 32.135 19.959 ( -0.383 1.953 0.000) 1.990 20.341 ( -0.551 0.468 0.000) 0.723 20.389 ( -5.831 -0.479 0.000) 5.851 21.553 ( 0.373 -1.868 0.000) 1.905 ======================= Grid point 15 (11/84) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( -7.455 17.420 0.000) 18.948 1.211 ( -14.831 0.045 0.000) 14.831 1.360 ( -10.440 30.481 0.000) 32.219 1.651 ( -22.147 14.205 0.000) 26.311 2.272 ( -21.313 48.812 0.000) 53.262 2.649 ( 2.594 0.650 0.000) 2.674 2.866 ( 5.880 -1.169 0.000) 5.995 2.933 ( -7.100 -4.930 0.000) 8.643 3.199 ( 9.581 22.438 0.000) 24.397 3.439 ( -8.682 -17.765 0.000) 19.773 3.649 ( 3.724 -4.728 0.000) 6.018 3.727 ( 0.296 -11.619 0.000) 11.622 3.799 ( -0.669 -3.199 0.000) 3.268 4.014 ( 9.820 5.237 0.000) 11.129 4.154 ( 7.726 -7.666 0.000) 10.884 4.283 ( 0.575 -6.468 0.000) 6.493 4.591 ( -13.243 -15.892 0.000) 20.687 4.644 ( 0.032 -8.596 0.000) 8.596 4.862 ( 0.992 -18.426 0.000) 18.452 5.321 ( 9.243 8.052 0.000) 12.258 5.326 ( 5.257 -1.676 0.000) 5.518 5.709 ( -9.418 6.920 0.000) 11.687 6.040 ( 1.652 1.748 0.000) 2.405 6.218 ( 2.712 8.667 0.000) 9.081 6.526 ( 2.086 -5.948 0.000) 6.303 7.159 ( -4.104 -1.188 0.000) 4.273 7.494 ( 1.899 -4.808 0.000) 5.169 7.600 ( -5.023 14.593 0.000) 15.433 8.085 ( -2.258 15.987 0.000) 16.146 8.158 ( -1.016 -7.373 0.000) 7.443 8.291 ( -5.404 3.691 0.000) 6.545 8.731 ( 6.712 0.447 0.000) 6.727 9.097 ( 3.923 -23.982 0.000) 24.301 9.367 ( 5.007 -6.777 0.000) 8.426 9.734 ( -4.988 3.644 0.000) 6.177 9.808 ( 15.027 9.485 0.000) 17.770 10.050 ( 6.141 -0.277 0.000) 6.147 10.238 ( -4.697 -1.021 0.000) 4.807 10.404 ( 4.299 18.884 0.000) 19.368 10.417 ( 1.050 3.699 0.000) 3.845 10.479 ( 2.959 -1.417 0.000) 3.281 10.656 ( -1.484 -3.336 0.000) 3.651 10.935 ( 3.512 5.928 0.000) 6.890 10.966 ( 1.957 -3.850 0.000) 4.319 11.276 ( -15.524 -9.565 0.000) 18.235 11.799 ( -9.033 6.114 0.000) 10.908 12.436 ( 7.290 -4.304 0.000) 8.466 12.640 ( -0.160 -7.591 0.000) 7.592 12.791 ( 9.870 -9.241 0.000) 13.521 12.938 ( -2.661 -7.122 0.000) 7.603 13.660 ( -2.429 6.846 0.000) 7.265 13.997 ( -6.512 0.504 0.000) 6.531 14.630 ( -2.539 3.094 0.000) 4.002 15.095 ( 10.843 -2.324 0.000) 11.089 15.458 ( -1.393 -5.200 0.000) 5.383 15.831 ( -13.276 3.819 0.000) 13.814 16.580 ( 1.668 -12.918 0.000) 13.025 16.897 ( -2.206 -0.162 0.000) 2.212 17.319 ( 4.054 0.375 0.000) 4.071 18.065 ( -9.268 -21.709 0.000) 23.605 18.598 ( -3.019 7.828 0.000) 8.390 19.344 ( 27.061 21.524 0.000) 34.577 19.925 ( -0.514 2.362 0.000) 2.418 20.252 ( -11.580 -1.430 0.000) 11.668 20.325 ( 0.017 2.273 0.000) 2.273 21.586 ( 0.528 -2.222 0.000) 2.284 ======================= Grid point 16 (12/84) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( -0.000 27.468 0.000) 27.468 0.859 ( -0.000 36.317 0.000) 36.317 1.082 ( 0.000 -0.299 0.000) 0.299 1.199 ( -0.000 12.603 0.000) 12.603 1.414 ( -0.000 59.936 0.000) 59.936 2.651 ( -0.000 1.522 0.000) 1.522 2.915 ( 0.000 -3.028 0.000) 3.028 2.923 ( 0.000 -0.728 0.000) 0.728 3.053 ( -0.000 18.058 0.000) 18.058 3.538 ( 0.000 -13.490 0.000) 13.490 3.744 ( 0.000 -4.007 0.000) 4.007 3.809 ( 0.000 -3.650 0.000) 3.650 3.876 ( 0.000 -10.077 0.000) 10.077 4.024 ( -0.000 6.665 0.000) 6.665 4.347 ( 0.000 -10.370 0.000) 10.370 4.353 ( 0.000 -4.988 0.000) 4.988 4.593 ( 0.000 -9.214 0.000) 9.214 4.760 ( 0.000 -11.022 0.000) 11.022 5.107 ( 0.000 -20.641 0.000) 20.641 5.326 ( -0.000 7.680 0.000) 7.680 5.441 ( -0.000 1.211 0.000) 1.211 5.473 ( -0.000 6.479 0.000) 6.479 5.990 ( -0.000 11.737 0.000) 11.737 6.146 ( -0.000 2.849 0.000) 2.849 6.615 ( 0.000 -5.018 0.000) 5.018 7.132 ( 0.000 -0.877 0.000) 0.877 7.372 ( -0.000 15.202 0.000) 15.202 7.550 ( 0.000 -2.031 0.000) 2.031 7.914 ( -0.000 10.461 0.000) 10.461 8.175 ( -0.000 4.328 0.000) 4.328 8.274 ( 0.000 -9.803 0.000) 9.803 8.749 ( -0.000 4.840 0.000) 4.840 9.388 ( 0.000 -19.315 0.000) 19.315 9.513 ( 0.000 -7.432 0.000) 7.432 9.627 ( -0.000 4.035 0.000) 4.035 9.997 ( 0.000 -6.448 0.000) 6.448 10.107 ( -0.000 2.801 0.000) 2.801 10.198 ( -0.000 14.204 0.000) 14.204 10.210 ( 0.000 -3.845 0.000) 3.845 10.380 ( -0.000 3.808 0.000) 3.808 10.679 ( 0.000 -2.514 0.000) 2.514 10.807 ( -0.000 0.316 0.000) 0.316 10.913 ( -0.000 4.104 0.000) 4.104 10.979 ( 0.000 -6.592 0.000) 6.592 11.024 ( 0.000 -2.967 0.000) 2.967 11.613 ( -0.000 10.050 0.000) 10.050 12.552 ( 0.000 -1.773 0.000) 1.773 12.807 ( 0.000 -15.040 0.000) 15.040 12.863 ( -0.000 1.307 0.000) 1.307 13.008 ( 0.000 -7.442 0.000) 7.442 13.557 ( -0.000 6.587 0.000) 6.587 13.932 ( -0.000 0.309 0.000) 0.309 14.548 ( -0.000 4.592 0.000) 4.592 15.333 ( 0.000 -8.412 0.000) 8.412 15.389 ( -0.000 5.632 0.000) 5.632 15.646 ( -0.000 2.007 0.000) 2.007 16.760 ( 0.000 -13.031 0.000) 13.031 16.863 ( -0.000 1.070 0.000) 1.070 17.357 ( 0.000 -0.168 0.000) 0.168 18.238 ( 0.000 -23.215 0.000) 23.215 18.470 ( -0.000 8.185 0.000) 8.185 19.438 ( -0.000 20.134 0.000) 20.134 19.895 ( -0.000 1.885 0.000) 1.885 20.100 ( 0.000 -1.310 0.000) 1.310 20.300 ( -0.000 2.017 0.000) 2.017 21.615 ( 0.000 -1.808 0.000) 1.808 ======================= Grid point 19 (13/84) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( 16.120 0.000 0.000) 16.120 1.837 ( -0.147 -0.000 0.000) 0.147 2.012 ( 20.689 0.000 0.000) 20.689 2.042 ( 1.132 0.000 0.000) 1.132 2.205 ( 10.111 0.000 0.000) 10.111 2.421 ( 14.398 0.000 0.000) 14.398 2.708 ( 4.021 0.000 0.000) 4.021 3.244 ( -0.549 -0.000 0.000) 0.549 3.296 ( -4.792 -0.000 0.000) 4.792 3.337 ( 23.952 0.000 0.000) 23.952 3.554 ( -2.051 -0.000 0.000) 2.051 3.558 ( -1.116 -0.000 0.000) 1.116 3.773 ( -3.049 -0.000 0.000) 3.049 4.061 ( -6.867 -0.000 0.000) 6.867 4.219 ( -6.994 -0.000 0.000) 6.994 4.233 ( -5.239 -0.000 0.000) 5.239 4.558 ( -1.802 -0.000 0.000) 1.802 4.577 ( -21.421 -0.000 0.000) 21.421 4.976 ( 13.784 0.000 0.000) 13.784 5.315 ( -12.561 -0.000 0.000) 12.561 5.335 ( -9.399 -0.000 0.000) 9.399 5.592 ( -5.065 -0.000 0.000) 5.065 5.998 ( 6.653 0.000 0.000) 6.653 6.151 ( 10.905 0.000 0.000) 10.905 6.312 ( -7.404 -0.000 0.000) 7.404 7.266 ( -0.566 -0.000 0.000) 0.566 7.450 ( -6.726 -0.000 0.000) 6.726 7.784 ( 9.780 0.000 0.000) 9.780 7.885 ( -5.052 -0.000 0.000) 5.052 8.014 ( 4.775 0.000 0.000) 4.775 8.394 ( -3.569 -0.000 0.000) 3.569 8.611 ( 5.408 0.000 0.000) 5.408 9.111 ( -4.739 -0.000 0.000) 4.739 9.218 ( -8.145 -0.000 0.000) 8.145 9.721 ( 1.106 0.000 0.000) 1.106 9.748 ( 23.783 0.000 0.000) 23.783 10.157 ( 2.302 0.000 0.000) 2.302 10.226 ( 11.805 0.000 0.000) 11.805 10.228 ( 0.112 0.000 0.000) 0.112 10.370 ( -1.392 -0.000 0.000) 1.392 10.556 ( -0.410 -0.000 0.000) 0.410 10.745 ( -1.175 -0.000 0.000) 1.175 10.746 ( -3.350 -0.000 0.000) 3.350 10.804 ( -4.481 -0.000 0.000) 4.481 11.963 ( 7.874 0.000 0.000) 7.874 12.127 ( -8.441 -0.000 0.000) 8.441 12.134 ( -7.503 -0.000 0.000) 7.503 12.337 ( 0.151 0.000 0.000) 0.151 12.432 ( -5.051 -0.000 0.000) 5.051 12.670 ( -5.801 -0.000 0.000) 5.801 13.794 ( 4.972 0.000 0.000) 4.972 14.401 ( -3.099 -0.000 0.000) 3.099 14.704 ( -3.001 -0.000 0.000) 3.001 15.090 ( 1.152 0.000 0.000) 1.152 15.654 ( -7.807 -0.000 0.000) 7.807 15.886 ( 2.766 0.000 0.000) 2.766 16.396 ( -8.598 -0.000 0.000) 8.598 16.968 ( -3.611 -0.000 0.000) 3.611 17.207 ( 3.334 0.000 0.000) 3.334 17.597 ( -5.463 -0.000 0.000) 5.463 18.776 ( 4.886 0.000 0.000) 4.886 19.587 ( 10.091 0.000 0.000) 10.091 19.953 ( 1.932 0.000 0.000) 1.932 20.188 ( -0.816 -0.000 0.000) 0.816 20.402 ( 0.514 0.000 0.000) 0.514 21.547 ( -1.855 -0.000 0.000) 1.855 ======================= Grid point 20 (14/84) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( -10.951 0.670 0.000) 10.971 1.927 ( -0.564 15.079 0.000) 15.089 2.121 ( 21.192 -3.197 0.000) 21.432 2.312 ( 11.558 -5.885 0.000) 12.969 2.413 ( 11.367 -0.271 0.000) 11.370 2.693 ( 3.164 13.379 0.000) 13.748 2.778 ( 12.844 -7.071 0.000) 14.662 3.193 ( -6.933 -1.308 0.000) 7.055 3.265 ( -4.141 -10.070 0.000) 10.888 3.360 ( -4.256 7.211 0.000) 8.374 3.537 ( -5.664 2.244 0.000) 6.092 3.676 ( 15.404 -0.288 0.000) 15.407 3.862 ( 7.562 -2.394 0.000) 7.932 3.959 ( -3.877 -0.352 0.000) 3.893 4.148 ( -3.519 0.650 0.000) 3.579 4.164 ( -14.275 -5.232 0.000) 15.204 4.279 ( -7.874 -9.871 0.000) 12.627 4.527 ( -0.807 2.204 0.000) 2.347 4.952 ( -7.278 25.472 0.000) 26.491 5.176 ( -11.268 -3.751 0.000) 11.876 5.214 ( 11.200 4.561 0.000) 12.093 5.628 ( -1.950 -17.433 0.000) 17.542 6.065 ( 2.903 2.393 0.000) 3.762 6.119 ( -9.445 -1.806 0.000) 9.616 6.403 ( 12.179 1.068 0.000) 12.225 7.236 ( -3.770 -2.317 0.000) 4.425 7.328 ( -7.048 0.559 0.000) 7.070 7.889 ( -0.267 -5.992 0.000) 5.998 7.949 ( 7.095 -3.121 0.000) 7.751 8.103 ( 3.796 -3.273 0.000) 5.012 8.367 ( 0.120 -1.007 0.000) 1.014 8.643 ( -0.196 1.795 0.000) 1.806 9.033 ( -5.505 7.995 0.000) 9.707 9.063 ( -3.983 -0.398 0.000) 4.003 9.770 ( 3.259 -1.782 0.000) 3.715 10.005 ( 20.324 16.280 0.000) 26.040 10.120 ( -1.304 5.453 0.000) 5.607 10.269 ( -0.329 -4.093 0.000) 4.106 10.356 ( -0.255 -1.177 0.000) 1.204 10.456 ( -12.225 -3.932 0.000) 12.841 10.535 ( 10.732 -14.897 0.000) 18.360 10.710 ( -2.687 0.836 0.000) 2.814 10.762 ( -1.056 -1.465 0.000) 1.806 10.832 ( 13.762 2.652 0.000) 14.015 11.775 ( -12.272 9.076 0.000) 15.263 11.993 ( -8.362 -3.338 0.000) 9.003 12.241 ( 6.533 -0.430 0.000) 6.547 12.294 ( -2.989 1.765 0.000) 3.471 12.400 ( -0.382 -2.270 0.000) 2.302 12.636 ( -0.959 -4.029 0.000) 4.142 13.855 ( 2.296 0.370 0.000) 2.326 14.335 ( -3.251 2.306 0.000) 3.986 14.667 ( -2.739 -2.870 0.000) 3.967 15.025 ( -2.727 6.632 0.000) 7.171 15.515 ( -5.891 2.684 0.000) 6.473 15.966 ( -0.016 -7.143 0.000) 7.143 16.273 ( -7.781 -2.768 0.000) 8.258 16.933 ( -1.034 -0.183 0.000) 1.050 17.248 ( 2.830 1.195 0.000) 3.072 17.566 ( -5.273 -8.146 0.000) 9.704 18.830 ( 2.331 1.154 0.000) 2.601 19.644 ( 10.630 15.909 0.000) 19.133 19.984 ( 1.618 0.118 0.000) 1.622 20.230 ( -0.360 -6.982 0.000) 6.992 20.409 ( -0.324 -0.455 0.000) 0.558 21.521 ( -1.381 -0.353 0.000) 1.425 ======================= Grid point 21 (15/84) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( -18.776 -0.489 0.000) 18.783 1.692 ( -6.494 15.257 0.000) 16.582 2.376 ( 0.905 16.880 0.000) 16.904 2.486 ( 11.250 -0.865 0.000) 11.283 2.529 ( 7.756 -2.157 0.000) 8.051 2.673 ( 8.097 0.975 0.000) 8.155 2.699 ( -19.745 4.500 0.000) 20.251 3.108 ( -7.724 -3.434 0.000) 8.453 3.280 ( -6.308 -4.260 0.000) 7.612 3.340 ( -3.221 -12.692 0.000) 13.094 3.528 ( 13.583 8.831 0.000) 16.201 3.818 ( -5.279 2.986 0.000) 6.065 3.832 ( 4.013 2.111 0.000) 4.535 4.017 ( 0.603 -6.276 0.000) 6.304 4.112 ( -8.576 -17.083 0.000) 19.115 4.199 ( 16.345 4.457 0.000) 16.942 4.366 ( -2.120 -11.178 0.000) 11.378 4.413 ( -11.792 34.852 0.000) 36.793 4.481 ( -0.807 2.659 0.000) 2.779 5.102 ( -4.761 -8.420 0.000) 9.673 5.395 ( 14.539 6.207 0.000) 15.809 5.823 ( 0.610 -15.688 0.000) 15.700 6.032 ( -1.959 4.961 0.000) 5.334 6.036 ( -6.787 -9.411 0.000) 11.603 6.548 ( 9.226 5.308 0.000) 10.644 7.198 ( -6.035 -2.171 0.000) 6.414 7.252 ( -2.001 -4.302 0.000) 4.745 7.963 ( 0.611 -5.080 0.000) 5.117 8.015 ( 1.742 5.760 0.000) 6.017 8.261 ( 3.514 -14.806 0.000) 15.217 8.414 ( 0.939 -2.496 0.000) 2.667 8.605 ( 2.125 3.089 0.000) 3.749 8.793 ( -4.718 16.174 0.000) 16.848 9.075 ( -0.301 -5.807 0.000) 5.815 9.856 ( 3.632 -2.798 0.000) 4.584 10.015 ( -3.099 5.611 0.000) 6.410 10.034 ( -1.639 9.324 0.000) 9.467 10.279 ( -1.743 -1.045 0.000) 2.032 10.357 ( 3.472 -0.185 0.000) 3.477 10.404 ( 2.546 -2.846 0.000) 3.819 10.647 ( -3.211 1.207 0.000) 3.431 10.795 ( 0.978 -3.601 0.000) 3.731 10.860 ( 6.884 -11.526 0.000) 13.425 10.969 ( 10.812 11.820 0.000) 16.019 11.461 ( -10.465 11.385 0.000) 15.464 11.983 ( -4.774 -8.263 0.000) 9.543 12.157 ( -2.836 -0.259 0.000) 2.848 12.361 ( 0.655 -3.544 0.000) 3.604 12.443 ( 1.686 -4.088 0.000) 4.422 12.717 ( 3.048 -5.523 0.000) 6.308 13.856 ( -0.184 2.359 0.000) 2.367 14.234 ( -3.221 6.167 0.000) 6.958 14.695 ( 0.095 -5.069 0.000) 5.070 14.910 ( -2.642 2.997 0.000) 3.996 15.427 ( -0.113 3.259 0.000) 3.260 15.996 ( -6.486 -5.660 0.000) 8.608 16.221 ( -5.368 -7.389 0.000) 9.134 16.927 ( 0.058 0.451 0.000) 0.455 17.281 ( 2.775 0.830 0.000) 2.897 17.589 ( -6.187 -11.706 0.000) 13.241 18.824 ( 0.244 3.379 0.000) 3.388 19.649 ( 14.467 16.865 0.000) 22.220 19.997 ( 0.784 1.178 0.000) 1.415 20.284 ( -2.606 -4.925 0.000) 5.572 20.396 ( -1.098 0.630 0.000) 1.266 21.514 ( -0.602 -1.322 0.000) 1.453 ======================= Grid point 22 (16/84) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( -16.753 -1.895 0.000) 16.860 1.392 ( -8.579 12.982 0.000) 15.561 2.050 ( -3.834 27.944 0.000) 28.205 2.171 ( -16.028 24.367 0.000) 29.166 2.659 ( 6.280 0.162 0.000) 6.282 2.700 ( -2.604 -13.848 0.000) 14.090 2.802 ( 3.807 -4.273 0.000) 5.723 3.021 ( -4.912 -2.483 0.000) 5.504 3.257 ( -1.632 4.172 0.000) 4.480 3.437 ( -2.119 -12.021 0.000) 12.206 3.509 ( -7.226 13.006 0.000) 14.878 3.715 ( 0.281 5.733 0.000) 5.740 3.911 ( 3.935 -5.790 0.000) 7.001 3.919 ( 5.156 25.604 0.000) 26.118 4.090 ( -0.309 -8.314 0.000) 8.319 4.199 ( -8.607 -17.672 0.000) 19.656 4.339 ( 9.372 13.298 0.000) 16.269 4.479 ( -1.030 -14.033 0.000) 14.071 4.481 ( -0.267 -4.623 0.000) 4.631 5.236 ( 8.752 -6.875 0.000) 11.130 5.481 ( 6.065 5.792 0.000) 8.386 5.883 ( -7.207 7.526 0.000) 10.420 5.968 ( -0.457 -6.635 0.000) 6.651 6.137 ( -0.188 -16.168 0.000) 16.169 6.579 ( 4.682 8.763 0.000) 9.936 7.130 ( -3.868 -1.235 0.000) 4.061 7.329 ( 0.896 -8.743 0.000) 8.789 7.906 ( -1.595 11.627 0.000) 11.736 8.022 ( 0.752 -3.671 0.000) 3.747 8.374 ( -4.288 2.306 0.000) 4.868 8.508 ( -0.540 4.873 0.000) 4.903 8.546 ( 0.495 -7.646 0.000) 7.662 8.717 ( 9.829 -0.856 0.000) 9.866 9.174 ( 1.386 -8.985 0.000) 9.092 9.843 ( -12.301 -2.955 0.000) 12.651 9.863 ( -1.966 6.640 0.000) 6.925 9.988 ( 2.559 -4.767 0.000) 5.411 10.246 ( -2.047 1.366 0.000) 2.461 10.477 ( 3.281 -0.334 0.000) 3.298 10.526 ( 17.969 4.974 0.000) 18.645 10.587 ( -3.332 -0.836 0.000) 3.435 10.863 ( 1.119 -4.788 0.000) 4.917 10.871 ( 2.151 17.818 0.000) 17.948 11.018 ( 0.654 -0.133 0.000) 0.667 11.208 ( -8.407 5.890 0.000) 10.265 11.897 ( -7.167 0.448 0.000) 7.181 12.246 ( 2.267 -8.900 0.000) 9.184 12.428 ( -3.054 -11.039 0.000) 11.454 12.570 ( 6.003 -8.169 0.000) 10.138 12.820 ( 2.150 -3.463 0.000) 4.077 13.801 ( -1.071 4.872 0.000) 4.989 14.096 ( -3.393 7.288 0.000) 8.039 14.724 ( 0.863 3.321 0.000) 3.431 14.932 ( 0.900 -9.601 0.000) 9.643 15.447 ( 6.646 2.828 0.000) 7.223 15.872 ( -12.486 -0.612 0.000) 12.501 16.272 ( -2.198 -12.143 0.000) 12.340 16.917 ( -0.034 1.358 0.000) 1.358 17.321 ( 2.277 -0.221 0.000) 2.288 17.636 ( -5.551 -13.959 0.000) 15.022 18.764 ( -0.775 6.043 0.000) 6.093 19.747 ( 18.522 13.349 0.000) 22.831 19.982 ( 0.055 2.355 0.000) 2.355 20.225 ( -9.349 -1.045 0.000) 9.407 20.371 ( -0.106 1.580 0.000) 1.584 21.531 ( -0.014 -2.288 0.000) 2.288 ======================= Grid point 23 (17/84) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( 0.000 -2.090 0.000) 2.090 1.164 ( -0.000 13.017 0.000) 13.017 1.658 ( -0.000 32.531 0.000) 32.531 1.706 ( -0.000 27.712 0.000) 27.712 2.693 ( -0.000 1.880 0.000) 1.880 2.728 ( -0.000 52.465 0.000) 52.465 2.796 ( 0.000 -8.289 0.000) 8.289 2.879 ( 0.000 -3.436 0.000) 3.436 3.150 ( 0.000 -16.004 0.000) 16.004 3.453 ( 0.000 -0.453 0.000) 0.453 3.560 ( 0.000 -11.545 0.000) 11.545 3.714 ( -0.000 13.261 0.000) 13.261 3.751 ( 0.000 -1.861 0.000) 1.861 4.056 ( 0.000 -10.012 0.000) 10.012 4.192 ( 0.000 -8.602 0.000) 8.602 4.269 ( -0.000 10.670 0.000) 10.670 4.308 ( 0.000 -15.112 0.000) 15.112 4.537 ( 0.000 -6.729 0.000) 6.729 4.658 ( 0.000 -17.552 0.000) 17.552 5.419 ( 0.000 -3.693 0.000) 3.693 5.484 ( -0.000 5.102 0.000) 5.102 5.678 ( -0.000 10.145 0.000) 10.145 6.004 ( 0.000 -3.747 0.000) 3.747 6.290 ( 0.000 -5.837 0.000) 5.837 6.523 ( -0.000 4.933 0.000) 4.933 7.108 ( 0.000 -1.070 0.000) 1.070 7.442 ( 0.000 -7.783 0.000) 7.783 7.733 ( -0.000 14.567 0.000) 14.567 8.083 ( 0.000 -5.683 0.000) 5.683 8.272 ( -0.000 19.281 0.000) 19.281 8.287 ( -0.000 4.576 0.000) 4.576 8.815 ( -0.000 0.899 0.000) 0.899 8.837 ( 0.000 -25.569 0.000) 25.569 9.303 ( 0.000 -10.106 0.000) 10.106 9.758 ( -0.000 7.057 0.000) 7.057 9.806 ( 0.000 -8.913 0.000) 8.913 10.091 ( 0.000 -6.382 0.000) 6.382 10.187 ( -0.000 3.748 0.000) 3.748 10.477 ( -0.000 4.386 0.000) 4.386 10.595 ( 0.000 -4.682 0.000) 4.682 10.618 ( -0.000 19.269 0.000) 19.269 10.831 ( -0.000 3.401 0.000) 3.401 10.891 ( 0.000 -0.997 0.000) 0.997 10.931 ( 0.000 -4.843 0.000) 4.843 11.046 ( -0.000 7.035 0.000) 7.035 11.803 ( -0.000 5.182 0.000) 5.182 12.423 ( 0.000 -16.164 0.000) 16.164 12.484 ( 0.000 -5.225 0.000) 5.225 12.765 ( 0.000 -12.291 0.000) 12.291 12.859 ( 0.000 -1.490 0.000) 1.490 13.722 ( -0.000 6.736 0.000) 6.736 13.988 ( -0.000 5.240 0.000) 5.240 14.674 ( -0.000 5.568 0.000) 5.568 15.087 ( 0.000 -12.412 0.000) 12.412 15.518 ( -0.000 4.691 0.000) 4.691 15.689 ( -0.000 1.670 0.000) 1.670 16.417 ( 0.000 -15.092 0.000) 15.092 16.897 ( -0.000 1.758 0.000) 1.758 17.348 ( 0.000 -0.641 0.000) 0.641 17.759 ( 0.000 -17.096 0.000) 17.096 18.671 ( -0.000 8.192 0.000) 8.192 19.847 ( -0.000 14.749 0.000) 14.749 19.951 ( -0.000 2.761 0.000) 2.761 20.068 ( 0.000 -1.348 0.000) 1.348 20.350 ( -0.000 2.023 0.000) 2.023 21.561 ( 0.000 -2.639 0.000) 2.639 ======================= Grid point 28 (18/84) ======================= q-point: ( 0.38 -0.62 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( -19.901 -0.000 0.000) 19.901 1.935 ( -8.819 -0.000 0.000) 8.819 2.289 ( -7.771 -0.000 0.000) 7.771 2.436 ( 17.206 0.000 0.000) 17.206 2.545 ( 5.014 0.000 0.000) 5.014 2.853 ( 3.618 0.000 0.000) 3.618 2.977 ( 10.130 0.000 0.000) 10.130 3.087 ( -6.597 -0.000 0.000) 6.597 3.107 ( -1.257 -0.000 0.000) 1.257 3.139 ( -18.706 -0.000 0.000) 18.706 3.731 ( 17.048 0.000 0.000) 17.048 3.749 ( -16.461 -0.000 0.000) 16.461 3.872 ( -4.529 -0.000 0.000) 4.529 3.906 ( -8.361 -0.000 0.000) 8.361 3.927 ( 3.758 0.000 0.000) 3.758 4.184 ( 1.848 0.000 0.000) 1.848 4.220 ( 16.736 0.000 0.000) 16.736 4.586 ( 7.860 0.000 0.000) 7.860 4.960 ( -10.694 -0.000 0.000) 10.694 5.100 ( -0.705 -0.000 0.000) 0.705 5.351 ( -7.284 -0.000 0.000) 7.284 5.522 ( 16.549 0.000 0.000) 16.549 5.906 ( -13.397 -0.000 0.000) 13.397 6.093 ( -1.438 -0.000 0.000) 1.438 6.614 ( 10.879 0.000 0.000) 10.879 7.143 ( -4.515 -0.000 0.000) 4.515 7.223 ( -5.760 -0.000 0.000) 5.760 7.903 ( 4.237 0.000 0.000) 4.237 8.018 ( 4.180 0.000 0.000) 4.180 8.154 ( 3.204 0.000 0.000) 3.204 8.381 ( 1.773 0.000 0.000) 1.773 8.646 ( 0.559 0.000 0.000) 0.559 8.998 ( -2.319 -0.000 0.000) 2.319 9.003 ( -4.580 -0.000 0.000) 4.580 9.802 ( 1.940 0.000 0.000) 1.940 10.118 ( -21.364 -0.000 0.000) 21.364 10.120 ( -3.135 -0.000 0.000) 3.135 10.242 ( 0.418 0.000 0.000) 0.418 10.359 ( 1.744 0.000 0.000) 1.744 10.474 ( 18.043 0.000 0.000) 18.043 10.615 ( 12.784 0.000 0.000) 12.784 10.680 ( -2.116 -0.000 0.000) 2.116 10.737 ( -0.254 -0.000 0.000) 0.254 11.114 ( 14.323 0.000 0.000) 14.323 11.678 ( -6.430 -0.000 0.000) 6.430 11.804 ( -7.208 -0.000 0.000) 7.208 12.163 ( -10.828 -0.000 0.000) 10.828 12.349 ( -0.395 -0.000 0.000) 0.395 12.363 ( -1.731 -0.000 0.000) 1.731 12.647 ( 6.692 0.000 0.000) 6.692 13.882 ( 0.657 0.000 0.000) 0.657 14.356 ( 3.006 0.000 0.000) 3.006 14.568 ( -5.522 -0.000 0.000) 5.522 14.979 ( -6.587 -0.000 0.000) 6.587 15.481 ( 0.093 0.000 0.000) 0.093 15.901 ( -3.240 -0.000 0.000) 3.240 16.131 ( -6.782 -0.000 0.000) 6.782 16.933 ( 0.716 0.000 0.000) 0.716 17.291 ( 1.741 0.000 0.000) 1.741 17.456 ( -3.478 -0.000 0.000) 3.478 18.865 ( 0.995 0.000 0.000) 0.995 19.890 ( 7.855 0.000 0.000) 7.855 20.011 ( 1.388 0.000 0.000) 1.388 20.182 ( 0.464 0.000 0.000) 0.464 20.404 ( -0.277 -0.000 0.000) 0.277 21.498 ( -1.037 -0.000 0.000) 1.037 ======================= Grid point 30 (19/84) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( -18.872 -1.296 0.000) 18.916 1.679 ( -11.054 11.011 0.000) 15.602 2.190 ( -13.505 -14.015 0.000) 19.463 2.557 ( 0.664 9.352 0.000) 9.375 2.659 ( 9.079 -0.153 0.000) 9.080 2.769 ( 0.427 8.771 0.000) 8.781 2.805 ( -9.274 10.990 0.000) 14.380 3.022 ( 1.996 5.978 0.000) 6.302 3.112 ( -3.565 -1.414 0.000) 3.835 3.136 ( -2.395 -14.357 0.000) 14.556 3.619 ( -7.598 -15.150 0.000) 16.948 3.815 ( 0.550 0.882 0.000) 1.040 3.823 ( -1.866 -1.891 0.000) 2.657 3.927 ( -2.435 -4.367 0.000) 5.000 3.993 ( 10.392 5.227 0.000) 11.632 4.239 ( 0.007 -5.046 0.000) 5.046 4.410 ( 3.470 -1.234 0.000) 3.683 4.680 ( 5.800 14.649 0.000) 15.756 4.747 ( -1.877 37.314 0.000) 37.361 5.010 ( 11.267 -12.198 0.000) 16.605 5.554 ( 0.740 -25.243 0.000) 25.254 5.626 ( -3.223 3.302 0.000) 4.614 5.826 ( 0.539 -8.818 0.000) 8.834 6.015 ( -5.427 3.229 0.000) 6.315 6.733 ( 5.801 3.635 0.000) 6.846 7.101 ( -2.563 -1.492 0.000) 2.966 7.165 ( -2.421 -3.592 0.000) 4.332 7.975 ( 3.051 -0.795 0.000) 3.153 8.083 ( 1.256 -0.331 0.000) 1.298 8.191 ( 1.427 -2.891 0.000) 3.224 8.393 ( -1.142 -0.105 0.000) 1.146 8.710 ( 7.543 0.111 0.000) 7.544 8.888 ( -2.376 9.855 0.000) 10.137 8.999 ( -0.796 -4.920 0.000) 4.984 9.777 ( -18.899 -1.759 0.000) 18.981 9.847 ( 0.909 -4.279 0.000) 4.374 10.037 ( -2.215 5.663 0.000) 6.081 10.257 ( -0.100 -1.094 0.000) 1.098 10.411 ( 2.315 -2.567 0.000) 3.457 10.632 ( -1.512 2.777 0.000) 3.162 10.665 ( 14.128 6.117 0.000) 15.395 10.761 ( 0.217 -3.588 0.000) 3.595 10.869 ( 6.990 -5.694 0.000) 9.016 11.215 ( 2.165 5.005 0.000) 5.454 11.501 ( -0.395 16.840 0.000) 16.845 11.810 ( -6.061 -4.968 0.000) 7.837 12.052 ( -2.905 -12.081 0.000) 12.425 12.261 ( -4.881 1.529 0.000) 5.115 12.391 ( -1.389 -7.368 0.000) 7.497 12.779 ( 6.440 -0.477 0.000) 6.458 13.876 ( -0.262 1.583 0.000) 1.605 14.316 ( -0.126 11.198 0.000) 11.198 14.601 ( 0.857 -11.875 0.000) 11.906 14.861 ( -5.365 1.615 0.000) 5.603 15.518 ( 5.855 2.154 0.000) 6.238 15.829 ( -7.645 -1.876 0.000) 7.871 16.069 ( -3.712 -4.737 0.000) 6.018 16.944 ( 0.734 0.707 0.000) 1.019 17.314 ( 1.064 -0.242 0.000) 1.091 17.431 ( -2.648 -4.170 0.000) 4.940 18.861 ( 0.124 2.195 0.000) 2.199 19.964 ( 7.583 5.242 0.000) 9.218 20.023 ( 0.659 0.977 0.000) 1.178 20.199 ( -1.911 -1.092 0.000) 2.201 20.396 ( -0.227 0.543 0.000) 0.589 21.491 ( -0.449 -0.971 0.000) 1.070 ======================= Grid point 31 (20/84) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( 0.000 -3.021 0.000) 3.021 1.440 ( -0.000 11.667 0.000) 11.667 2.159 ( 0.000 -0.217 0.000) 0.217 2.335 ( -0.000 24.951 0.000) 24.951 2.631 ( -0.000 4.745 0.000) 4.745 2.728 ( -0.000 1.039 0.000) 1.039 2.772 ( 0.000 -4.279 0.000) 4.279 2.964 ( -0.000 1.268 0.000) 1.268 3.164 ( 0.000 -10.266 0.000) 10.266 3.271 ( 0.000 -12.877 0.000) 12.877 3.692 ( 0.000 -5.583 0.000) 5.583 3.804 ( -0.000 32.669 0.000) 32.669 3.858 ( 0.000 -5.965 0.000) 5.965 3.928 ( 0.000 -15.325 0.000) 15.325 3.984 ( 0.000 -8.294 0.000) 8.294 4.308 ( -0.000 7.795 0.000) 7.795 4.359 ( -0.000 15.263 0.000) 15.263 4.445 ( 0.000 -1.930 0.000) 1.930 4.560 ( -0.000 13.058 0.000) 13.058 5.270 ( 0.000 -8.664 0.000) 8.664 5.550 ( -0.000 0.888 0.000) 0.888 5.868 ( 0.000 -18.968 0.000) 18.968 5.888 ( -0.000 7.074 0.000) 7.074 5.922 ( 0.000 -10.557 0.000) 10.557 6.718 ( -0.000 7.185 0.000) 7.185 7.086 ( 0.000 -0.736 0.000) 0.736 7.229 ( 0.000 -8.809 0.000) 8.809 8.011 ( 0.000 -1.203 0.000) 1.203 8.022 ( -0.000 9.674 0.000) 9.674 8.325 ( 0.000 -16.215 0.000) 16.215 8.363 ( -0.000 1.930 0.000) 1.930 8.712 ( -0.000 16.455 0.000) 16.455 8.808 ( 0.000 -0.949 0.000) 0.949 9.077 ( 0.000 -8.711 0.000) 8.711 9.637 ( 0.000 -5.018 0.000) 5.018 9.927 ( 0.000 -7.182 0.000) 7.182 9.936 ( -0.000 7.780 0.000) 7.780 10.254 ( -0.000 1.365 0.000) 1.365 10.477 ( 0.000 -4.812 0.000) 4.812 10.576 ( -0.000 4.032 0.000) 4.032 10.791 ( -0.000 0.940 0.000) 0.940 10.814 ( 0.000 -4.895 0.000) 4.895 10.910 ( -0.000 1.937 0.000) 1.937 11.131 ( -0.000 9.875 0.000) 9.875 11.286 ( -0.000 19.426 0.000) 19.426 11.788 ( 0.000 -6.408 0.000) 6.408 12.198 ( 0.000 -1.435 0.000) 1.435 12.251 ( 0.000 -15.283 0.000) 15.283 12.489 ( 0.000 -10.830 0.000) 10.830 12.835 ( 0.000 -0.119 0.000) 0.119 13.842 ( -0.000 3.521 0.000) 3.521 14.177 ( -0.000 10.696 0.000) 10.696 14.780 ( 0.000 -13.605 0.000) 13.605 14.780 ( -0.000 3.009 0.000) 3.009 15.590 ( -0.000 1.664 0.000) 1.664 15.720 ( -0.000 0.995 0.000) 0.995 16.122 ( 0.000 -9.487 0.000) 9.487 16.936 ( -0.000 1.484 0.000) 1.484 17.330 ( 0.000 -0.798 0.000) 0.798 17.473 ( 0.000 -7.738 0.000) 7.738 18.822 ( -0.000 4.576 0.000) 4.576 20.010 ( -0.000 2.036 0.000) 2.036 20.043 ( 0.000 -0.717 0.000) 0.717 20.107 ( -0.000 7.671 0.000) 7.671 20.386 ( -0.000 0.987 0.000) 0.987 21.505 ( 0.000 -1.939 0.000) 1.939 ======================= Grid point 39 (21/84) ======================= q-point: (-0.50 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( 0.000 -0.000 0.000) 0.000 1.648 ( -0.000 0.000 0.000) 0.000 1.973 ( 0.000 -0.000 0.000) 0.000 2.603 ( 0.000 -0.000 0.000) 0.000 2.738 ( 0.000 -0.000 0.000) 0.000 2.740 ( 0.000 -0.000 0.000) 0.000 2.913 ( -0.000 0.000 0.000) 0.000 2.953 ( 0.000 -0.000 0.000) 0.000 3.030 ( 0.000 -0.000 0.000) 0.000 3.236 ( -0.000 0.000 0.000) 0.000 3.382 ( 0.000 -0.000 0.000) 0.000 3.789 ( 0.000 -0.000 0.000) 0.000 3.790 ( 0.000 -0.000 0.000) 0.000 3.875 ( 0.000 -0.000 0.000) 0.000 4.172 ( 0.000 -0.000 0.000) 0.000 4.224 ( 0.000 -0.000 0.000) 0.000 4.425 ( 0.000 -0.000 0.000) 0.000 4.770 ( 0.000 -0.000 0.000) 0.000 5.091 ( -0.000 0.000 0.000) 0.000 5.111 ( 0.000 -0.000 0.000) 0.000 5.252 ( 0.000 -0.000 0.000) 0.000 5.553 ( 0.000 -0.000 0.000) 0.000 5.841 ( 0.000 -0.000 0.000) 0.000 5.973 ( 0.000 -0.000 0.000) 0.000 6.803 ( 0.000 -0.000 0.000) 0.000 7.078 ( 0.000 -0.000 0.000) 0.000 7.115 ( 0.000 -0.000 0.000) 0.000 8.001 ( 0.000 -0.000 0.000) 0.000 8.077 ( 0.000 -0.000 0.000) 0.000 8.202 ( 0.000 -0.000 0.000) 0.000 8.383 ( 0.000 -0.000 0.000) 0.000 8.794 ( 0.000 -0.000 0.000) 0.000 8.930 ( 0.000 -0.000 0.000) 0.000 8.958 ( 0.000 -0.000 0.000) 0.000 9.581 ( 0.000 -0.000 0.000) 0.000 9.823 ( 0.000 -0.000 0.000) 0.000 10.057 ( 0.000 -0.000 0.000) 0.000 10.245 ( 0.000 -0.000 0.000) 0.000 10.418 ( 0.000 -0.000 0.000) 0.000 10.643 ( 0.000 -0.000 0.000) 0.000 10.736 ( -0.000 0.000 0.000) 0.000 10.799 ( 0.000 -0.000 0.000) 0.000 10.941 ( 0.000 -0.000 0.000) 0.000 11.219 ( 0.000 -0.000 0.000) 0.000 11.678 ( 0.000 -0.000 0.000) 0.000 11.807 ( 0.000 -0.001 0.000) 0.001 11.809 ( -0.000 0.001 0.000) 0.001 12.259 ( 0.000 -0.000 0.000) 0.000 12.302 ( -0.000 0.000 0.000) 0.000 12.838 ( 0.000 -0.000 0.000) 0.000 13.883 ( 0.000 -0.000 0.000) 0.000 14.444 ( 0.000 -0.000 0.000) 0.000 14.477 ( -0.000 0.000 0.000) 0.000 14.818 ( 0.000 -0.000 0.000) 0.000 15.607 ( 0.000 -0.000 0.000) 0.000 15.732 ( 0.000 -0.000 0.000) 0.000 16.009 ( 0.000 -0.000 0.000) 0.000 16.955 ( 0.000 -0.000 0.000) 0.000 17.319 ( 0.000 -0.000 0.000) 0.000 17.387 ( 0.000 -0.000 0.000) 0.000 18.875 ( 0.000 -0.000 0.000) 0.000 20.035 ( 0.000 -0.000 0.000) 0.000 20.035 ( 0.000 -0.000 0.000) 0.000 20.196 ( 0.000 -0.000 0.000) 0.000 20.397 ( 0.000 -0.000 0.000) 0.000 21.481 ( 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: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.583 ( 0.000 0.000 28.128) 28.128 0.663 ( 0.000 0.000 35.368) 35.368 1.109 ( 0.000 0.000 2.090) 2.090 1.120 ( 0.000 0.000 6.623) 6.623 1.196 ( 0.000 0.000 63.167) 63.167 2.704 ( 0.000 0.000 4.490) 4.490 2.833 ( 0.000 0.000 5.476) 5.476 2.924 ( 0.000 0.000 0.245) 0.245 3.032 ( 0.000 0.000 5.835) 5.835 3.690 ( 0.000 0.000 1.123) 1.123 3.696 ( 0.000 0.000 -9.405) 9.405 3.861 ( 0.000 0.000 -1.986) 1.986 3.918 ( 0.000 0.000 -3.437) 3.437 3.969 ( 0.000 0.000 1.655) 1.655 4.502 ( 0.000 0.000 1.534) 1.534 4.604 ( 0.000 0.000 14.900) 14.900 4.698 ( 0.000 0.000 -1.205) 1.205 5.073 ( 0.000 0.000 13.133) 13.133 5.196 ( 0.000 0.000 -11.519) 11.519 5.204 ( 0.000 0.000 -0.821) 0.821 5.313 ( 0.000 0.000 -7.252) 7.252 5.369 ( 0.000 0.000 -4.467) 4.467 5.662 ( 0.000 0.000 8.014) 8.014 5.747 ( 0.000 0.000 -5.153) 5.153 6.628 ( 0.000 0.000 -3.512) 3.512 7.181 ( 0.000 0.000 4.080) 4.080 7.358 ( 0.000 0.000 3.572) 3.572 7.367 ( 0.000 0.000 -16.082) 16.082 8.069 ( 0.000 0.000 -5.480) 5.480 8.248 ( 0.000 0.000 -5.523) 5.523 8.763 ( 0.000 0.000 12.020) 12.020 8.906 ( 0.000 0.000 5.068) 5.068 9.311 ( 0.000 0.000 10.664) 10.664 9.629 ( 0.000 0.000 3.286) 3.286 9.636 ( 0.000 0.000 5.675) 5.675 9.750 ( 0.000 0.000 5.203) 5.203 9.978 ( 0.000 0.000 -5.148) 5.148 9.997 ( 0.000 0.000 -6.668) 6.668 10.071 ( 0.000 0.000 0.212) 0.212 10.303 ( 0.000 0.000 -2.397) 2.397 10.751 ( 0.000 0.000 2.404) 2.404 10.896 ( 0.000 0.000 3.764) 3.764 10.925 ( 0.000 0.000 -13.215) 13.215 11.105 ( 0.000 0.000 0.125) 0.125 11.432 ( 0.000 0.000 -1.043) 1.043 12.018 ( 0.000 0.000 4.664) 4.664 12.550 ( 0.000 0.000 -2.791) 2.791 12.908 ( 0.000 0.000 -17.766) 17.766 13.045 ( 0.000 0.000 0.429) 0.429 13.060 ( 0.000 0.000 0.571) 0.571 13.619 ( 0.000 0.000 13.148) 13.148 14.525 ( 0.000 0.000 3.565) 3.565 14.617 ( 0.000 0.000 2.627) 2.627 14.620 ( 0.000 0.000 -1.574) 1.574 15.254 ( 0.000 0.000 -5.948) 5.948 15.535 ( 0.000 0.000 -8.179) 8.179 17.034 ( 0.000 0.000 10.646) 10.646 17.468 ( 0.000 0.000 11.509) 11.509 17.939 ( 0.000 0.000 -0.028) 0.028 17.957 ( 0.000 0.000 -0.227) 0.227 18.320 ( 0.000 0.000 -4.362) 4.362 18.665 ( 0.000 0.000 0.224) 0.224 19.006 ( 0.000 0.000 -4.840) 4.840 19.885 ( 0.000 0.000 -27.929) 27.929 20.847 ( 0.000 0.000 19.104) 19.104 21.628 ( 0.000 0.000 -0.979) 0.979 ======================= Grid point 70 (23/84) ======================= q-point: ( 0.12 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( 17.988 -7.485 19.565) 27.611 0.935 ( 19.174 -15.477 20.874) 32.293 1.237 ( 14.321 0.332 2.014) 14.465 1.534 ( 25.867 1.486 -6.139) 26.627 1.682 ( 32.164 -22.370 38.133) 54.673 2.714 ( -0.990 -1.991 6.222) 6.607 2.816 ( -8.003 -9.096 4.564) 12.947 2.955 ( -7.869 0.609 4.740) 9.206 2.973 ( 5.336 0.902 -0.737) 5.462 3.648 ( -3.063 3.501 -4.575) 6.525 3.673 ( 0.723 3.373 -1.195) 3.651 3.770 ( -10.863 0.754 -7.403) 13.167 3.948 ( -4.648 -3.773 -0.154) 5.988 4.009 ( 12.290 10.976 0.332) 16.482 4.415 ( -5.423 6.821 2.346) 9.024 4.557 ( -1.815 3.077 16.043) 16.436 4.839 ( 10.191 9.430 -7.016) 15.557 4.929 ( -3.388 6.335 4.713) 8.592 5.017 ( -12.639 -7.813 -4.372) 15.489 5.270 ( 1.567 2.237 -12.523) 12.817 5.334 ( 1.533 13.983 -2.669) 14.318 5.525 ( 9.971 -3.599 -2.792) 10.962 5.672 ( 0.640 -14.482 -1.899) 14.620 5.901 ( 0.586 -14.481 -3.901) 15.008 6.591 ( -2.749 2.178 -3.411) 4.892 7.167 ( -1.015 -0.748 -0.937) 1.571 7.398 ( 3.778 1.055 -11.246) 11.911 7.467 ( 5.869 -7.589 4.087) 10.428 8.105 ( 1.045 1.598 -2.990) 3.547 8.162 ( -0.916 5.109 -1.121) 5.310 8.640 ( -5.691 16.210 27.064) 32.057 8.776 ( -2.090 -2.465 11.803) 12.237 9.273 ( -20.652 -29.019 6.396) 36.187 9.492 ( -9.136 0.573 4.171) 10.059 9.586 ( -7.118 9.325 4.810) 12.679 9.746 ( 5.954 0.753 3.955) 7.187 9.959 ( -3.344 -7.302 -5.096) 9.512 10.045 ( -2.906 -2.525 -0.626) 3.901 10.151 ( 7.123 -1.020 -6.849) 9.934 10.314 ( 2.111 0.860 -2.817) 3.624 10.732 ( -5.140 0.647 5.916) 7.864 10.805 ( -1.444 5.313 2.972) 6.257 10.878 ( -2.930 3.828 -6.252) 7.894 10.972 ( -5.032 -3.732 6.607) 9.105 11.510 ( 4.310 -4.078 0.812) 5.989 11.921 ( 8.136 16.059 7.695) 19.578 12.516 ( -6.414 1.165 0.808) 6.569 12.712 ( -9.286 1.100 5.032) 10.619 12.917 ( -4.016 -2.723 -12.426) 13.340 12.979 ( -8.394 3.089 0.869) 8.986 13.615 ( 0.903 -0.734 9.371) 9.443 14.313 ( 5.926 19.441 7.523) 21.672 14.661 ( 10.578 3.108 3.732) 11.640 14.929 ( -5.516 -9.813 -8.052) 13.841 15.398 ( 8.411 0.382 -18.501) 20.326 15.645 ( 9.953 -2.682 -9.737) 14.179 16.907 ( -8.553 7.459 10.380) 15.380 17.280 ( -2.660 18.183 22.141) 28.774 17.414 ( -7.565 -0.660 11.410) 13.706 18.197 ( -17.921 -29.130 -2.316) 34.279 18.413 ( 7.851 -2.507 -3.770) 9.063 18.881 ( 8.809 13.671 -12.430) 20.470 19.340 ( 11.183 -14.866 -23.996) 30.362 20.015 ( 11.709 -2.089 -25.387) 28.035 20.751 ( -4.946 2.628 25.156) 25.772 21.618 ( -0.874 0.597 -0.818) 1.338 ======================= Grid point 71 (24/84) ======================= q-point: ( 0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( 16.326 -1.973 7.835) 18.216 1.466 ( 19.397 -16.998 11.766) 28.349 1.502 ( 16.488 -0.343 1.549) 16.564 1.861 ( 15.101 -5.050 0.446) 15.930 2.532 ( 29.366 -23.842 20.320) 42.939 2.679 ( -11.361 -3.590 5.426) 13.092 2.733 ( -14.904 -3.061 5.884) 16.313 2.835 ( -2.004 -14.593 7.546) 16.550 3.087 ( 9.385 2.065 -3.896) 10.369 3.534 ( -6.658 -1.058 4.211) 7.949 3.594 ( -5.041 5.019 -10.299) 12.516 3.636 ( -1.589 1.950 -6.075) 6.575 3.909 ( -5.925 -1.523 2.431) 6.583 3.988 ( 6.903 14.348 1.146) 15.963 4.193 ( -7.012 12.045 4.511) 14.649 4.468 ( -3.469 4.986 14.187) 15.433 4.739 ( -5.254 2.483 5.553) 8.038 4.886 ( 0.672 3.216 0.925) 3.413 5.017 ( 6.666 9.038 -9.949) 15.003 5.105 ( -5.592 9.373 -0.100) 10.915 5.308 ( 3.420 1.622 -7.530) 8.428 5.696 ( 4.407 -4.615 -5.378) 8.345 5.823 ( -1.894 -10.926 -3.099) 11.514 6.036 ( -1.535 -9.508 -3.234) 10.160 6.498 ( -4.583 2.966 -3.422) 6.443 7.174 ( -0.152 -1.241 -7.544) 7.647 7.424 ( 2.448 3.301 -6.373) 7.583 7.674 ( 6.095 -8.001 5.275) 11.358 8.028 ( -0.517 -2.103 1.765) 2.793 8.261 ( 6.449 -3.596 -7.098) 10.242 8.483 ( -2.362 3.121 21.004) 21.366 8.732 ( -5.587 -0.342 11.532) 12.819 9.277 ( -7.589 13.950 3.333) 16.226 9.299 ( -9.286 -15.003 3.996) 18.091 9.379 ( -6.379 3.269 5.085) 8.788 9.813 ( 0.503 -1.803 3.493) 3.963 9.949 ( -1.021 -0.190 -3.634) 3.779 10.159 ( 3.649 -14.174 -2.225) 14.805 10.243 ( 2.725 -2.124 -4.301) 5.517 10.351 ( 1.935 -1.530 -3.032) 3.909 10.643 ( -0.805 2.657 2.459) 3.709 10.799 ( -1.381 1.896 -1.963) 3.058 10.813 ( 5.426 5.575 1.161) 7.866 10.935 ( -6.256 -5.049 6.638) 10.425 11.606 ( 5.475 3.317 6.170) 8.891 11.959 ( 10.126 4.450 -0.690) 11.082 12.378 ( -6.433 0.896 2.853) 7.094 12.623 ( -4.248 1.312 -1.246) 4.617 12.708 ( -15.128 7.943 2.980) 17.344 12.859 ( -6.600 -1.354 -10.136) 12.171 13.669 ( 2.416 -3.399 2.667) 4.950 14.285 ( 9.303 8.996 6.103) 14.308 14.744 ( 3.240 1.940 3.478) 5.134 14.880 ( -3.842 1.490 -5.568) 6.927 15.455 ( 4.191 5.565 -13.286) 15.002 15.844 ( 7.208 -6.536 -9.308) 13.465 16.698 ( -6.568 5.792 8.125) 11.946 17.152 ( 1.577 8.053 14.157) 16.363 17.315 ( -6.335 -2.024 10.808) 12.690 18.230 ( -10.625 -17.875 -1.696) 20.863 18.561 ( 7.211 1.242 -5.964) 9.439 18.832 ( 3.816 10.125 -4.974) 11.909 19.527 ( 2.201 -5.018 -24.926) 25.521 20.211 ( 7.548 -2.958 -17.137) 18.958 20.683 ( -1.841 -0.161 24.779) 24.848 21.590 ( -1.209 1.018 -0.420) 1.635 ======================= Grid point 72 (25/84) ======================= q-point: ( 0.38 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( 7.095 2.943 2.000) 7.937 1.709 ( 8.202 -0.382 -1.334) 8.319 1.952 ( 16.129 -14.126 10.692) 23.959 2.165 ( 8.817 -11.161 7.127) 15.909 2.380 ( -18.376 -1.883 6.662) 19.637 2.599 ( -7.555 4.211 9.093) 12.550 2.811 ( -2.767 -12.636 1.709) 13.048 3.170 ( 7.694 0.161 -2.774) 8.181 3.366 ( 6.227 -9.927 -5.508) 12.948 3.481 ( -0.942 0.629 -2.401) 2.655 3.540 ( -5.867 -3.117 -0.816) 6.693 3.610 ( 14.691 -3.842 6.213) 16.407 3.797 ( -0.956 1.132 0.550) 1.580 3.950 ( -0.304 10.839 3.457) 11.381 4.045 ( 5.382 0.703 2.888) 6.149 4.339 ( -4.280 5.035 11.568) 13.322 4.638 ( -2.914 3.837 6.029) 7.718 4.834 ( -3.523 11.609 -0.015) 12.132 4.867 ( 2.407 7.099 1.775) 7.703 5.012 ( -8.891 1.836 1.343) 9.177 5.346 ( 2.765 1.339 -5.506) 6.305 5.783 ( 1.338 -3.847 -7.625) 8.645 5.900 ( 0.468 -6.773 -0.929) 6.852 6.082 ( -1.681 -3.044 -0.842) 3.578 6.392 ( -4.449 1.539 -4.724) 6.670 7.179 ( -0.211 -0.304 -12.039) 12.045 7.412 ( 0.932 3.010 -0.776) 3.245 7.816 ( 4.081 -3.024 1.087) 5.194 8.162 ( 3.020 -12.745 -3.845) 13.650 8.375 ( -0.016 -3.046 0.311) 3.062 8.461 ( 4.202 1.714 5.792) 7.358 8.636 ( -4.319 -0.157 13.557) 14.229 8.956 ( -6.803 18.221 6.162) 20.402 9.236 ( -4.221 1.862 3.209) 5.620 9.362 ( -3.440 -7.759 5.217) 9.962 9.794 ( -3.393 -1.566 1.374) 3.982 9.975 ( 2.957 0.634 -1.817) 3.528 10.283 ( 0.837 -1.569 -5.900) 6.162 10.358 ( 1.016 -5.069 -1.530) 5.391 10.453 ( 5.293 -6.556 2.058) 8.673 10.630 ( 1.343 0.434 -1.218) 1.864 10.760 ( -1.670 0.879 -6.709) 6.970 10.851 ( 5.079 4.185 5.488) 8.569 10.924 ( -3.592 -9.713 9.203) 13.854 11.614 ( 5.003 8.530 8.370) 12.956 12.114 ( 9.440 -1.487 -4.491) 10.559 12.305 ( -1.229 1.224 1.506) 2.297 12.346 ( -15.091 7.289 4.520) 17.358 12.511 ( -7.476 2.420 -2.426) 8.224 12.760 ( -5.583 -0.346 -7.963) 9.731 13.750 ( 2.346 -2.708 -1.501) 3.885 14.360 ( 6.998 3.095 4.897) 9.085 14.745 ( -2.777 -2.659 -0.306) 3.857 14.802 ( 0.885 6.922 -1.517) 7.142 15.439 ( 1.953 4.944 -9.290) 10.703 16.015 ( 4.126 -5.752 -9.207) 11.614 16.564 ( -3.369 3.145 7.168) 8.522 17.107 ( 0.888 3.594 9.522) 10.217 17.254 ( -3.311 -1.226 11.947) 12.458 18.265 ( -6.821 -12.921 -2.000) 14.747 18.572 ( 3.729 10.807 -12.132) 16.669 18.823 ( 2.629 1.076 3.954) 4.868 19.590 ( 1.000 -2.034 -24.927) 25.030 20.329 ( 3.339 -2.034 -13.087) 13.659 20.675 ( -0.321 -0.734 23.231) 23.245 21.561 ( -0.839 0.755 -0.002) 1.129 ======================= Grid point 73 (26/84) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( 0.000 -0.000 0.958) 0.958 1.771 ( 0.000 -0.000 -1.240) 1.240 2.204 ( 0.000 -0.000 6.640) 6.640 2.311 ( -0.000 -0.000 6.859) 6.859 2.317 ( 0.000 0.000 14.735) 14.735 2.398 ( 0.000 -0.000 7.511) 7.511 2.876 ( 0.000 -0.000 -0.654) 0.654 3.279 ( 0.000 0.000 -3.146) 3.146 3.320 ( -0.000 -0.000 -5.874) 5.874 3.417 ( 0.000 -0.000 -8.750) 8.750 3.533 ( 0.000 -0.000 3.233) 3.233 3.765 ( 0.000 0.000 1.876) 1.876 3.786 ( 0.000 -0.000 -0.537) 0.537 4.059 ( -0.000 0.000 -3.363) 3.363 4.193 ( -0.000 -0.000 14.843) 14.843 4.236 ( 0.000 -0.000 7.647) 7.647 4.552 ( 0.000 -0.000 2.033) 2.033 4.715 ( 0.000 0.000 3.827) 3.827 4.831 ( 0.000 -0.000 9.979) 9.979 4.856 ( -0.000 -0.000 1.272) 1.272 5.362 ( 0.000 0.000 -4.900) 4.900 5.823 ( 0.000 -0.000 -8.659) 8.659 5.980 ( 0.000 -0.000 0.316) 0.316 6.059 ( 0.000 -0.000 0.237) 0.237 6.342 ( 0.000 -0.000 -6.581) 6.581 7.179 ( 0.000 -0.000 -13.974) 13.974 7.399 ( 0.000 -0.000 2.066) 2.066 7.874 ( 0.000 -0.000 -1.165) 1.165 8.289 ( 0.000 -0.000 -6.731) 6.731 8.371 ( 0.000 -0.000 6.170) 6.170 8.508 ( 0.000 -0.000 -5.091) 5.091 8.678 ( -0.000 0.000 11.790) 11.790 8.687 ( 0.000 -0.000 13.113) 13.113 9.187 ( 0.000 -0.000 2.860) 2.860 9.379 ( 0.000 -0.000 5.648) 5.648 9.773 ( 0.000 -0.000 0.674) 0.674 9.998 ( 0.000 -0.000 -1.508) 1.508 10.298 ( 0.000 -0.000 -6.558) 6.558 10.388 ( 0.000 -0.000 0.963) 0.963 10.531 ( 0.000 -0.000 4.610) 4.610 10.656 ( 0.000 -0.000 -2.270) 2.270 10.731 ( 0.000 -0.000 -6.400) 6.400 10.871 ( 0.000 -0.000 6.198) 6.198 10.989 ( 0.000 -0.000 7.149) 7.149 11.606 ( 0.000 -0.000 7.669) 7.669 12.133 ( 0.000 -0.000 6.483) 6.483 12.246 ( 0.000 -0.000 -4.891) 4.891 12.333 ( -0.000 -0.000 -0.838) 0.838 12.358 ( 0.000 -0.000 -2.533) 2.533 12.713 ( 0.000 0.000 -6.968) 6.968 13.787 ( 0.000 -0.000 -2.685) 2.685 14.406 ( 0.000 -0.000 4.473) 4.473 14.737 ( -0.000 -0.000 -7.516) 7.516 14.764 ( 0.000 0.000 5.730) 5.730 15.424 ( 0.000 -0.000 -7.865) 7.865 16.086 ( 0.000 -0.000 -9.526) 9.526 16.518 ( 0.000 -0.000 7.119) 7.119 17.094 ( 0.000 -0.000 8.152) 8.152 17.234 ( -0.000 -0.000 12.414) 12.414 18.290 ( 0.000 0.000 -1.954) 1.954 18.523 ( 0.000 -0.000 -12.502) 12.502 18.845 ( 0.000 -0.000 5.029) 5.029 19.610 ( 0.000 -0.000 -24.955) 24.955 20.368 ( 0.000 -0.000 -12.138) 12.138 20.678 ( 0.000 -0.000 22.688) 22.688 21.549 ( 0.000 -0.000 0.190) 0.190 ======================= Grid point 79 (27/84) ======================= q-point: ( 0.12 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( 23.826 0.000 12.231) 26.782 1.222 ( 26.264 0.000 14.582) 30.040 1.509 ( 16.465 0.000 0.817) 16.485 1.844 ( 12.752 0.000 -2.925) 13.083 2.221 ( 41.857 0.000 23.682) 48.092 2.523 ( -13.275 -0.000 3.541) 13.739 2.698 ( -21.955 -0.000 5.707) 22.684 2.751 ( 1.029 0.000 9.701) 9.755 3.120 ( 9.709 0.000 -3.641) 10.369 3.492 ( -12.232 -0.000 7.240) 14.214 3.669 ( -2.837 -0.000 1.724) 3.320 3.672 ( -2.971 -0.000 -13.668) 13.987 3.824 ( -7.043 -0.000 -5.336) 8.836 4.347 ( -7.351 -0.000 3.015) 7.946 4.360 ( 16.117 0.000 1.904) 16.229 4.537 ( -2.177 -0.000 13.970) 14.138 4.647 ( -17.012 -0.000 -0.199) 17.013 4.776 ( -8.099 -0.000 7.668) 11.153 5.226 ( 8.420 0.000 -25.424) 26.782 5.332 ( 2.507 0.000 -13.503) 13.734 5.421 ( -13.146 -0.000 7.162) 14.970 5.549 ( 6.019 0.000 -3.251) 6.841 5.678 ( 10.744 0.000 -1.809) 10.895 5.837 ( 3.393 0.000 -4.762) 5.847 6.532 ( -5.852 -0.000 -3.593) 6.867 7.152 ( 0.267 0.000 -7.002) 7.007 7.470 ( 2.288 0.000 -7.277) 7.628 7.545 ( 9.046 0.000 5.218) 10.443 8.126 ( -6.964 -0.000 -2.659) 7.454 8.181 ( 3.214 0.000 1.056) 3.383 8.426 ( -13.309 -0.000 32.176) 34.820 8.704 ( -4.107 -0.000 12.897) 13.535 9.117 ( 13.203 0.000 3.182) 13.581 9.366 ( -7.598 -0.000 4.154) 8.659 9.524 ( -7.990 -0.000 2.926) 8.509 9.790 ( -1.775 -0.000 3.632) 4.043 9.894 ( 2.275 0.000 -4.398) 4.952 10.019 ( 2.484 0.000 -1.299) 2.803 10.208 ( 1.823 0.000 -3.420) 3.876 10.339 ( 0.949 0.000 -3.525) 3.651 10.674 ( -1.331 -0.000 1.004) 1.667 10.827 ( -6.750 -0.000 12.676) 14.361 10.869 ( -3.045 -0.000 -10.428) 10.863 10.899 ( 4.211 0.000 4.700) 6.311 11.612 ( 9.942 0.000 1.565) 10.064 12.085 ( 4.038 0.000 0.669) 4.093 12.377 ( -8.566 -0.000 5.498) 10.179 12.622 ( -4.092 -0.000 1.266) 4.283 12.804 ( -11.705 -0.000 -3.189) 12.132 12.814 ( -9.168 -0.000 -6.013) 10.964 13.621 ( 2.171 0.000 4.216) 4.742 14.466 ( 1.434 0.000 5.026) 5.227 14.762 ( -3.722 -0.000 -5.442) 6.593 14.918 ( 9.510 0.000 2.260) 9.775 15.524 ( 5.754 0.000 -16.965) 17.915 15.751 ( 4.123 0.000 -11.423) 12.144 16.779 ( -10.546 -0.000 9.430) 14.147 17.270 ( -8.537 -0.000 9.695) 12.918 17.342 ( -1.930 -0.000 22.831) 22.912 17.783 ( -7.699 -0.000 -3.211) 8.342 18.564 ( 10.058 0.000 1.845) 10.226 19.183 ( 8.893 0.000 -6.623) 11.088 19.377 ( 6.085 0.000 -32.258) 32.827 20.157 ( 6.539 0.000 -19.588) 20.650 20.684 ( -3.313 -0.000 26.194) 26.403 21.602 ( -1.458 -0.000 -0.776) 1.651 ======================= Grid point 80 (28/84) ======================= q-point: ( 0.25 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( 18.146 4.328 2.207) 18.785 1.669 ( 16.946 -3.692 4.445) 17.904 1.746 ( 15.765 -0.752 5.104) 16.588 1.996 ( 6.964 -1.260 3.973) 8.116 2.317 ( -17.761 -2.101 5.766) 18.791 2.439 ( -3.527 -12.534 0.598) 13.035 2.756 ( 2.731 3.589 11.580) 12.427 2.960 ( 31.398 -9.796 13.796) 35.667 3.247 ( 5.942 1.775 -4.254) 7.520 3.398 ( -1.698 -5.717 7.228) 9.370 3.573 ( -4.960 3.505 -1.210) 6.193 3.619 ( -1.989 0.790 -8.912) 9.166 3.748 ( -5.922 -3.905 -2.438) 7.501 4.189 ( -6.272 5.914 4.185) 9.583 4.281 ( -2.450 14.867 0.690) 15.083 4.427 ( -6.524 1.722 10.464) 12.451 4.664 ( -7.645 -2.017 6.044) 9.952 4.734 ( 5.485 -7.393 3.595) 9.882 5.101 ( -12.862 7.176 10.936) 18.344 5.241 ( -0.539 8.935 -15.923) 18.267 5.345 ( -1.303 -0.666 -9.749) 9.858 5.660 ( 1.042 -6.051 -2.093) 6.487 5.825 ( 7.675 1.335 -4.098) 8.802 5.960 ( 5.393 -5.993 -4.197) 9.089 6.412 ( -7.914 0.316 -4.048) 8.895 7.168 ( 0.772 -0.454 -10.985) 11.021 7.467 ( -1.348 1.399 -3.550) 4.046 7.723 ( 8.337 -4.164 4.770) 10.469 7.989 ( -3.671 -0.165 0.757) 3.752 8.226 ( -4.710 -9.195 12.951) 16.567 8.424 ( 4.163 -2.396 0.280) 4.812 8.627 ( -4.971 -0.043 12.564) 13.512 9.233 ( -5.988 1.258 2.507) 6.613 9.311 ( -0.607 9.090 1.878) 9.302 9.384 ( 8.359 4.431 4.949) 10.677 9.750 ( -3.100 -1.748 1.498) 3.861 10.005 ( 6.322 -0.119 -4.542) 7.785 10.127 ( 7.342 -8.378 -1.093) 11.193 10.255 ( 3.214 -1.569 -1.146) 3.756 10.359 ( 1.162 -1.620 -2.291) 3.037 10.632 ( -4.791 -0.342 0.715) 4.856 10.750 ( -1.981 -0.808 7.043) 7.361 10.812 ( -4.350 -0.611 -5.625) 7.137 10.929 ( 0.999 1.892 7.361) 7.666 11.778 ( 10.781 3.773 3.946) 12.085 12.131 ( 5.043 3.053 -2.419) 6.372 12.284 ( -4.140 -2.198 3.214) 5.683 12.502 ( -17.054 4.134 4.404) 18.092 12.532 ( -7.695 -0.156 -0.816) 7.739 12.721 ( -6.535 -1.779 -8.713) 11.036 13.688 ( 3.942 -1.838 -1.060) 4.477 14.460 ( 1.623 3.774 5.177) 6.609 14.704 ( -3.832 -0.977 -5.201) 6.533 14.998 ( 5.286 7.600 1.976) 9.466 15.558 ( 0.368 3.827 -13.527) 14.062 15.832 ( 2.383 -7.219 -7.671) 10.800 16.611 ( -8.319 1.177 7.643) 11.358 17.146 ( -6.377 -0.384 9.304) 11.286 17.302 ( 1.712 4.947 15.525) 16.383 17.771 ( -9.773 -17.439 -2.331) 20.126 18.718 ( 7.960 -0.002 3.462) 8.680 19.183 ( 9.187 19.883 -12.331) 25.136 19.510 ( 3.053 -5.786 -25.889) 26.703 20.244 ( 1.926 -3.843 -13.369) 14.043 20.660 ( -0.158 -0.413 24.555) 24.559 21.574 ( -1.575 0.283 -0.400) 1.649 ======================= Grid point 81 (29/84) ======================= q-point: ( 0.38 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( 5.713 13.301 -2.641) 14.715 1.783 ( 1.400 1.211 -1.943) 2.684 2.054 ( 10.192 -7.273 13.164) 18.167 2.183 ( 8.117 -6.916 3.403) 11.194 2.271 ( 9.868 -1.708 5.869) 11.608 2.602 ( 2.566 2.405 4.564) 5.761 2.758 ( 7.233 -3.494 6.896) 10.587 3.258 ( 3.181 1.152 1.258) 3.609 3.339 ( -5.001 -0.326 -5.288) 7.286 3.391 ( -0.690 -6.024 -1.294) 6.200 3.537 ( 1.010 3.239 -5.409) 6.385 3.655 ( -4.765 -4.471 1.689) 6.749 3.741 ( 4.172 -4.406 3.854) 7.189 4.077 ( 3.656 3.763 7.506) 9.158 4.219 ( 6.304 -0.648 -1.336) 6.476 4.291 ( -6.455 1.594 6.540) 9.326 4.554 ( -11.607 -5.880 4.317) 13.709 4.711 ( -6.253 8.625 8.692) 13.749 4.879 ( -6.937 6.933 6.874) 11.977 5.078 ( -1.547 10.369 -1.784) 10.634 5.311 ( -5.483 -3.549 -5.836) 8.758 5.781 ( 3.508 -10.010 -1.097) 10.663 5.907 ( 5.128 3.111 -5.214) 7.947 6.099 ( 5.095 0.380 -2.613) 5.739 6.302 ( -4.742 -2.565 -5.658) 7.815 7.178 ( 0.101 -0.089 -12.883) 12.884 7.409 ( -3.764 0.620 0.497) 3.847 7.860 ( 3.302 -1.265 0.406) 3.559 8.057 ( 2.262 -12.454 -1.477) 12.743 8.253 ( -3.954 -8.091 11.636) 14.714 8.494 ( 0.175 -1.887 -2.136) 2.856 8.574 ( -0.435 0.485 8.925) 8.949 9.035 ( -6.515 14.360 4.096) 16.292 9.176 ( -3.881 -0.512 3.241) 5.082 9.533 ( 16.058 11.383 3.602) 20.011 9.748 ( 0.441 -1.886 0.185) 1.945 10.046 ( 2.472 3.568 -2.297) 4.911 10.313 ( 1.810 1.021 -4.565) 5.016 10.334 ( 3.434 -5.004 0.295) 6.076 10.503 ( 8.939 -4.232 2.660) 10.242 10.577 ( -3.343 -6.972 -0.060) 7.733 10.728 ( -2.213 -0.128 -4.582) 5.091 10.782 ( -2.696 -4.598 2.478) 5.878 10.916 ( 0.624 -0.809 11.386) 11.432 11.800 ( 1.008 11.837 5.298) 13.008 12.160 ( -6.069 0.937 4.586) 7.664 12.225 ( 0.055 -1.355 -1.728) 2.197 12.314 ( -1.486 -0.950 -0.745) 1.915 12.389 ( -5.777 1.876 -2.203) 6.461 12.667 ( -2.700 -3.237 -6.422) 7.682 13.766 ( 2.533 -1.415 -3.440) 4.501 14.429 ( -2.304 1.559 5.093) 5.803 14.669 ( -1.907 -1.911 -5.390) 6.028 14.942 ( 1.651 10.185 2.149) 10.540 15.474 ( -4.025 3.614 -9.572) 10.995 15.971 ( 1.412 -8.774 -8.340) 12.187 16.494 ( -5.762 -1.483 7.339) 9.448 17.073 ( -3.733 -1.176 9.008) 9.822 17.288 ( 2.645 3.786 11.727) 12.603 17.824 ( -10.403 -20.004 -2.349) 22.669 18.811 ( 4.904 2.284 3.639) 6.520 19.086 ( 9.976 22.661 -12.098) 27.557 19.592 ( 1.928 -1.738 -24.514) 24.651 20.307 ( -0.677 -4.778 -11.151) 12.151 20.674 ( 0.948 -0.281 22.979) 23.000 21.549 ( -1.088 -0.023 0.093) 1.092 ======================= Grid point 82 (30/84) ======================= q-point: (-0.50 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( 0.671 12.110 -1.114) 12.179 1.715 ( -8.754 0.389 -1.059) 8.827 2.225 ( -2.892 5.510 3.196) 6.996 2.366 ( 15.800 -1.510 6.450) 17.132 2.440 ( 0.817 9.235 8.766) 12.759 2.540 ( 11.819 2.263 9.769) 15.500 2.991 ( 8.209 -3.591 1.029) 9.019 3.144 ( -8.616 3.897 -3.671) 10.144 3.279 ( -0.810 -3.562 -0.128) 3.655 3.467 ( -0.433 -3.030 -1.431) 3.379 3.566 ( 2.093 -2.112 -0.531) 3.021 3.655 ( -2.510 -1.266 -3.809) 4.735 3.725 ( -0.454 -3.747 -1.274) 3.984 4.118 ( -0.463 2.687 7.678) 8.147 4.181 ( -3.527 11.305 2.363) 12.076 4.310 ( -3.787 13.350 12.171) 18.458 4.447 ( -7.588 -11.246 0.524) 13.577 4.503 ( -6.643 -12.748 0.542) 14.385 4.696 ( -6.870 -2.473 6.578) 9.827 5.118 ( 14.486 6.027 5.585) 16.654 5.263 ( -5.838 -5.564 -2.874) 8.561 5.907 ( 2.688 6.441 -6.697) 9.672 5.943 ( 0.402 -6.235 0.466) 6.265 6.105 ( 1.383 0.180 -2.485) 2.849 6.349 ( 4.353 -1.461 -5.294) 7.008 7.180 ( -0.006 -0.346 -13.107) 13.111 7.348 ( -4.180 -2.064 2.815) 5.446 7.870 ( -1.574 1.193 -3.148) 3.717 8.265 ( 1.073 -11.096 9.515) 14.656 8.285 ( 0.470 -5.557 -2.615) 6.160 8.473 ( -3.953 1.677 -7.412) 8.566 8.613 ( 2.677 -6.392 13.134) 14.850 8.776 ( -3.131 13.420 10.062) 17.063 9.170 ( 0.323 -3.471 3.073) 4.647 9.646 ( 15.432 13.931 1.963) 20.882 9.801 ( 3.764 -0.968 -0.157) 3.890 10.016 ( -0.409 4.170 0.196) 4.195 10.307 ( -0.762 0.610 -3.879) 4.000 10.408 ( 2.190 -0.227 2.291) 3.178 10.509 ( -4.297 -1.931 1.581) 4.970 10.673 ( 1.307 0.951 -2.246) 2.767 10.729 ( 1.402 -0.503 -4.327) 4.576 10.751 ( -5.341 -2.601 1.396) 6.102 11.037 ( 6.051 -4.487 11.488) 13.738 11.576 ( -9.049 8.358 7.104) 14.220 12.138 ( -3.399 -5.417 0.256) 6.400 12.176 ( -2.949 1.442 -1.675) 3.685 12.308 ( 5.096 -0.884 2.137) 5.596 12.436 ( 4.278 -3.322 -3.311) 6.348 12.713 ( 2.698 -4.085 -5.325) 7.233 13.790 ( -0.187 0.763 -3.487) 3.575 14.337 ( -7.062 0.674 5.188) 8.789 14.694 ( 0.864 -3.220 -4.342) 5.474 14.855 ( 0.848 7.016 0.902) 7.125 15.377 ( -4.551 0.013 -7.788) 9.020 16.035 ( -3.412 -4.131 -9.805) 11.173 16.462 ( -2.850 -5.199 7.869) 9.852 17.043 ( -2.247 -1.669 9.247) 9.661 17.304 ( 3.790 2.492 10.361) 11.310 17.888 ( -10.892 -21.180 -3.052) 24.011 18.827 ( 2.363 5.086 3.719) 6.729 19.016 ( 13.150 21.400 -11.772) 27.739 19.620 ( 0.933 0.697 -24.237) 24.265 20.319 ( -3.541 -2.774 -11.442) 12.295 20.690 ( 0.968 0.464 22.549) 22.575 21.542 ( -0.260 -0.795 0.371) 0.915 ======================= Grid point 83 (31/84) ======================= q-point: (-0.38 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( -5.496 10.276 0.829) 11.683 1.499 ( -16.427 -0.118 0.439) 16.433 1.928 ( -10.736 20.236 6.223) 23.738 2.143 ( -13.202 17.901 3.519) 22.519 2.669 ( 11.229 -1.203 10.582) 15.476 2.732 ( 11.016 -1.139 4.488) 11.950 2.983 ( -9.598 -5.533 -1.570) 11.189 3.078 ( 2.978 16.113 1.750) 16.479 3.297 ( -11.082 -10.190 3.814) 15.530 3.434 ( 2.027 3.748 -1.489) 4.514 3.538 ( -9.999 15.519 2.601) 18.644 3.634 ( 5.876 2.063 -7.952) 10.100 3.765 ( 0.169 3.211 6.232) 7.013 3.895 ( 7.580 -9.844 2.643) 12.702 4.121 ( 4.768 8.666 6.137) 11.640 4.315 ( 1.615 -7.425 13.036) 15.089 4.527 ( -6.390 -17.004 -1.603) 18.236 4.586 ( -5.785 -14.068 0.589) 15.222 4.690 ( -1.554 -9.751 0.746) 9.903 5.208 ( 0.811 -0.680 -2.953) 3.137 5.299 ( 6.677 4.575 3.195) 8.702 5.834 ( -2.224 7.166 -5.729) 9.441 5.966 ( 1.347 0.729 -3.194) 3.542 6.183 ( 4.887 0.271 -1.449) 5.104 6.422 ( 3.159 -0.908 -3.092) 4.512 7.188 ( 0.358 -0.149 -8.012) 8.021 7.327 ( -3.030 -4.756 -2.211) 6.058 7.807 ( -1.776 3.909 -1.007) 4.410 8.210 ( -6.461 5.586 -0.543) 8.558 8.348 ( -5.437 3.290 -6.036) 8.764 8.390 ( 1.271 -0.306 9.734) 9.821 8.709 ( 5.431 -0.882 12.948) 14.069 8.837 ( 5.380 -17.476 10.220) 20.948 9.259 ( 3.592 -5.708 3.257) 7.490 9.708 ( 12.025 13.981 -0.418) 18.445 9.874 ( 2.973 1.907 2.200) 4.161 9.957 ( 0.707 2.627 -0.111) 2.723 10.275 ( -2.390 0.792 -2.617) 3.632 10.374 ( -5.175 2.018 -3.203) 6.412 10.495 ( 2.664 3.134 2.238) 4.682 10.619 ( 0.016 6.476 1.525) 6.653 10.677 ( -6.444 -3.333 0.867) 7.307 10.764 ( 1.066 -0.978 -8.428) 8.551 11.099 ( 4.528 6.884 10.936) 13.693 11.447 ( -5.808 -6.393 10.263) 13.414 11.971 ( -9.819 2.943 -4.541) 11.211 12.302 ( 3.615 -6.901 1.331) 7.903 12.503 ( 12.867 -7.027 2.561) 14.883 12.539 ( 1.626 -6.143 -2.379) 6.786 12.819 ( 3.578 -3.888 -5.308) 7.490 13.746 ( -2.106 3.039 -1.520) 3.998 14.198 ( -8.356 0.559 6.002) 10.303 14.721 ( -1.321 0.067 2.536) 2.860 14.859 ( 5.605 -0.230 -6.256) 8.403 15.337 ( -2.626 -3.284 -8.448) 9.436 15.948 ( -9.026 1.120 -10.269) 13.718 16.521 ( -0.012 -9.085 8.320) 12.320 17.033 ( -1.743 -2.326 10.470) 10.866 17.354 ( 4.934 1.273 10.168) 11.373 17.948 ( -11.990 -21.587 -4.037) 25.021 18.772 ( -0.732 6.752 5.061) 8.470 19.035 ( 18.258 20.177 -15.168) 31.153 19.611 ( 0.616 2.855 -23.266) 23.449 20.246 ( -7.601 -0.081 -13.356) 15.367 20.697 ( 0.976 0.870 23.121) 23.158 21.558 ( 0.441 -1.570 0.264) 1.652 ======================= Grid point 84 (32/84) ======================= q-point: (-0.25 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( -7.441 11.532 4.437) 14.423 1.229 ( -14.751 -0.360 1.598) 14.842 1.464 ( -11.511 26.719 9.743) 30.681 1.659 ( -19.564 16.127 3.030) 25.534 2.520 ( -15.062 40.506 24.730) 49.791 2.767 ( -0.402 3.239 8.964) 9.540 2.902 ( 0.379 -3.591 0.553) 3.653 2.917 ( 0.318 -2.948 1.413) 3.285 3.183 ( 6.244 16.418 -1.472) 17.627 3.425 ( -6.981 -16.514 -0.724) 17.944 3.531 ( 2.382 -4.138 -4.545) 6.592 3.711 ( 2.972 -2.173 -6.098) 7.123 3.849 ( 4.336 -2.728 7.120) 8.772 4.103 ( 5.209 8.889 4.278) 11.156 4.162 ( 6.934 -12.665 2.033) 14.581 4.431 ( 0.981 -7.621 14.802) 16.677 4.556 ( -10.250 -14.053 -2.969) 17.646 4.684 ( -3.014 -15.564 3.400) 16.213 4.854 ( 3.081 -14.386 -1.073) 14.751 5.267 ( 7.731 1.922 -4.768) 9.284 5.328 ( 6.297 7.047 -0.337) 9.456 5.655 ( -8.982 7.467 -4.989) 12.701 5.946 ( -1.302 5.513 -7.369) 9.295 6.193 ( 3.086 9.819 -1.402) 10.388 6.496 ( 1.581 -5.148 -2.538) 5.953 7.181 ( -0.779 0.173 1.130) 1.383 7.352 ( -0.718 -3.435 -12.556) 13.038 7.706 ( -2.479 9.560 5.152) 11.139 8.058 ( -1.062 3.819 -2.240) 4.553 8.213 ( -4.497 4.498 -6.118) 8.825 8.410 ( -1.213 -4.338 21.481) 21.948 8.826 ( 5.700 0.893 10.353) 11.852 9.157 ( 4.142 -21.839 6.413) 23.135 9.403 ( 4.757 -6.665 3.199) 8.791 9.742 ( 4.292 5.215 -0.312) 6.761 9.813 ( 3.347 7.869 1.933) 8.767 10.031 ( 6.335 0.339 -1.336) 6.483 10.187 ( -4.411 5.518 -5.170) 8.754 10.275 ( -4.187 -0.358 -3.945) 5.763 10.370 ( 0.032 17.742 -3.994) 18.186 10.637 ( -3.455 -6.406 -1.208) 7.377 10.716 ( 12.917 -1.339 12.179) 17.804 10.798 ( 0.773 -2.656 -10.556) 10.912 11.087 ( 2.729 6.212 9.021) 11.288 11.433 ( -9.338 -11.044 14.440) 20.437 11.770 ( -9.069 4.832 -2.904) 10.678 12.456 ( 6.386 -4.876 1.050) 8.104 12.629 ( 1.164 -7.988 -0.884) 8.121 12.804 ( 8.629 -9.196 0.901) 12.643 12.892 ( -0.438 -4.217 -6.153) 7.472 13.664 ( -2.773 3.848 2.246) 5.248 14.084 ( -4.918 -1.455 8.884) 10.258 14.667 ( -2.950 2.681 3.904) 5.579 14.997 ( 7.877 -2.298 -9.713) 12.715 15.353 ( -0.020 -2.018 -9.854) 10.058 15.733 ( -12.733 3.477 -9.707) 16.385 16.669 ( 2.446 -12.654 9.022) 15.732 17.042 ( -1.552 -4.181 13.500) 14.217 17.429 ( 4.884 0.236 11.172) 12.196 18.003 ( -10.537 -21.194 -5.942) 24.403 18.656 ( -2.053 8.457 5.861) 10.492 19.128 ( 20.232 19.967 -22.870) 36.483 19.572 ( 0.759 7.132 -19.405) 20.688 20.067 ( -12.620 1.839 -18.194) 22.219 20.710 ( 1.288 -0.332 24.522) 24.558 21.588 ( 0.586 -1.861 -0.088) 1.953 ======================= Grid point 85 (33/84) ======================= q-point: (-0.12 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( -0.000 17.214 11.921) 20.939 1.022 ( -0.000 27.181 16.914) 32.014 1.096 ( 0.000 -0.309 1.822) 1.848 1.259 ( -0.000 12.763 7.346) 14.726 1.852 ( -0.000 44.566 40.191) 60.012 2.731 ( -0.000 2.035 4.181) 4.650 2.898 ( 0.000 -2.073 2.013) 2.890 2.985 ( 0.000 -0.064 4.773) 4.773 3.071 ( -0.000 13.309 0.405) 13.315 3.540 ( 0.000 -13.611 0.340) 13.615 3.610 ( 0.000 -5.889 -7.920) 9.870 3.769 ( 0.000 -4.958 -3.387) 6.005 3.912 ( 0.000 -0.889 1.911) 2.108 4.059 ( -0.000 7.179 2.499) 7.601 4.363 ( 0.000 -10.706 1.573) 10.821 4.520 ( 0.000 -6.132 16.001) 17.136 4.584 ( 0.000 -8.955 -0.971) 9.007 4.847 ( 0.000 -16.124 6.561) 17.408 5.077 ( 0.000 -16.841 -3.802) 17.265 5.314 ( -0.000 7.456 -1.206) 7.553 5.387 ( -0.000 9.192 -7.338) 11.762 5.401 ( -0.000 1.593 -3.876) 4.191 5.810 ( -0.000 12.879 -11.101) 17.002 6.075 ( -0.000 14.064 -0.786) 14.086 6.572 ( 0.000 -4.783 -3.098) 5.699 7.177 ( 0.000 -0.346 4.775) 4.787 7.362 ( 0.000 -0.272 -17.238) 17.240 7.536 ( -0.000 12.572 6.061) 13.957 8.088 ( 0.000 -5.978 2.732) 6.573 8.119 ( -0.000 3.971 -5.952) 7.155 8.485 ( 0.000 -11.397 24.227) 26.774 8.837 ( -0.000 4.115 9.845) 10.671 9.423 ( 0.000 -15.915 3.628) 16.324 9.542 ( 0.000 -7.573 2.951) 8.128 9.676 ( -0.000 3.343 4.843) 5.885 9.942 ( 0.000 -4.640 -4.883) 6.737 9.950 ( -0.000 17.948 -10.845) 20.970 10.104 ( -0.000 2.565 -0.042) 2.565 10.170 ( -0.000 15.095 -4.033) 15.624 10.255 ( 0.000 -3.349 -2.720) 4.315 10.676 ( 0.000 -5.839 -1.273) 5.976 10.843 ( 0.000 -3.335 -10.462) 10.981 10.981 ( -0.000 3.819 3.737) 5.343 11.022 ( 0.000 -3.579 4.681) 5.893 11.485 ( 0.000 -22.371 32.008) 39.051 11.588 ( -0.000 9.443 -2.726) 9.828 12.550 ( 0.000 -1.479 -1.863) 2.379 12.822 ( 0.000 -14.660 1.508) 14.737 12.848 ( -0.000 0.058 -5.529) 5.529 13.004 ( 0.000 -7.797 -0.497) 7.812 13.586 ( -0.000 2.838 6.673) 7.251 14.089 ( 0.000 -6.076 14.138) 15.388 14.582 ( -0.000 4.586 3.635) 5.852 15.108 ( -0.000 1.182 -17.651) 17.690 15.325 ( -0.000 5.221 -6.372) 8.237 15.562 ( -0.000 1.492 -8.828) 8.954 16.859 ( 0.000 -13.291 9.951) 16.603 17.102 ( 0.000 -10.667 18.793) 21.610 17.482 ( 0.000 -0.550 12.978) 12.990 18.140 ( 0.000 -19.686 -8.807) 21.566 18.547 ( -0.000 5.671 6.547) 8.661 19.135 ( -0.000 24.541 -41.925) 48.579 19.385 ( -0.000 19.832 -5.568) 20.599 19.902 ( -0.000 0.832 -24.588) 24.602 20.748 ( 0.000 -3.658 25.322) 25.585 21.614 ( 0.000 -1.447 -0.520) 1.537 ======================= Grid point 88 (34/84) ======================= q-point: ( 0.25 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( 0.253 0.000 -4.369) 4.376 1.811 ( 11.334 0.000 -1.660) 11.455 2.047 ( 3.277 0.000 7.826) 8.484 2.050 ( 16.123 0.000 3.783) 16.561 2.297 ( 12.060 0.000 6.577) 13.737 2.402 ( 12.493 0.000 0.007) 12.493 2.849 ( 6.167 0.000 11.993) 13.485 3.257 ( 3.873 0.000 1.713) 4.235 3.311 ( -1.526 -0.000 0.324) 1.560 3.351 ( 3.518 0.000 0.701) 3.587 3.530 ( -3.041 -0.000 -1.490) 3.387 3.596 ( -1.216 -0.000 -2.044) 2.378 3.735 ( 10.002 0.000 3.421) 10.571 4.091 ( -8.856 -0.000 2.991) 9.348 4.239 ( -5.883 -0.000 2.158) 6.267 4.315 ( -8.112 -0.000 5.579) 9.846 4.453 ( -14.367 -0.000 1.969) 14.502 4.837 ( -5.443 -0.000 15.209) 16.153 5.020 ( 9.377 0.000 5.551) 10.896 5.227 ( -4.809 -0.000 -6.876) 8.391 5.253 ( -8.243 -0.000 -8.465) 11.815 5.594 ( -4.293 -0.000 0.093) 4.294 5.973 ( 6.627 0.000 -2.681) 7.149 6.085 ( 11.570 0.000 -7.058) 13.552 6.267 ( -8.337 -0.000 -4.726) 9.584 7.176 ( -0.036 -0.000 -12.028) 12.028 7.417 ( -4.935 -0.000 -0.781) 4.996 7.841 ( 8.451 0.000 3.852) 9.288 7.887 ( -5.477 -0.000 0.793) 5.534 8.140 ( 0.600 0.000 13.346) 13.359 8.470 ( 0.387 0.000 0.191) 0.432 8.589 ( 0.719 0.000 5.240) 5.290 9.149 ( -4.665 -0.000 2.737) 5.408 9.244 ( -8.105 -0.000 2.828) 8.584 9.707 ( 1.569 0.000 -1.071) 1.900 9.750 ( 20.405 0.000 0.070) 20.405 10.147 ( 8.847 0.000 -3.010) 9.345 10.148 ( 3.529 0.000 -1.389) 3.792 10.347 ( -0.859 -0.000 -1.827) 2.019 10.359 ( 7.719 0.000 7.201) 10.556 10.527 ( -3.484 -0.000 1.397) 3.754 10.730 ( -0.954 -0.000 1.807) 2.043 10.742 ( -3.698 -0.000 -6.079) 7.116 10.913 ( -2.675 -0.000 11.532) 11.838 11.992 ( 6.787 0.000 2.678) 7.296 12.160 ( -3.473 -0.000 0.347) 3.490 12.171 ( -7.629 -0.000 3.874) 8.556 12.318 ( -4.721 -0.000 0.414) 4.739 12.416 ( -5.409 -0.000 -1.636) 5.651 12.616 ( -4.373 -0.000 -6.091) 7.498 13.746 ( 3.794 0.000 -4.060) 5.557 14.452 ( -3.566 -0.000 5.164) 6.276 14.646 ( -2.876 -0.000 -6.225) 6.857 15.108 ( 1.191 0.000 2.044) 2.366 15.529 ( -6.031 -0.000 -11.823) 13.273 15.818 ( 2.249 0.000 -6.937) 7.293 16.474 ( -8.357 -0.000 7.598) 11.295 17.058 ( -3.674 -0.000 9.180) 9.888 17.364 ( 1.626 0.000 15.682) 15.766 17.548 ( -5.922 -0.000 -4.813) 7.632 18.831 ( 5.577 0.000 5.589) 7.896 19.486 ( 2.246 0.000 -31.356) 31.437 19.486 ( 8.885 0.000 -10.350) 13.640 20.221 ( -0.951 -0.000 -9.206) 9.255 20.670 ( 1.362 0.000 23.250) 23.290 21.549 ( -1.528 -0.000 -0.010) 1.528 ======================= Grid point 89 (35/84) ======================= q-point: ( 0.38 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( -9.837 0.557 -3.370) 10.413 1.843 ( -0.253 9.665 -6.961) 11.913 2.237 ( 16.483 -0.201 9.421) 18.986 2.292 ( 11.515 -4.689 -0.026) 12.433 2.492 ( 12.846 2.055 6.135) 14.383 2.662 ( 3.708 -3.176 1.562) 5.126 2.938 ( 9.808 6.774 11.401) 16.495 3.201 ( -7.711 -0.341 0.102) 7.719 3.294 ( -2.114 -7.675 4.310) 9.052 3.392 ( 3.369 7.252 0.519) 8.014 3.522 ( -7.004 -0.226 -0.699) 7.042 3.580 ( 8.331 -4.531 -8.371) 12.649 3.808 ( 1.503 8.606 -1.167) 8.814 4.069 ( -3.001 -9.781 6.122) 11.923 4.150 ( -13.982 -6.936 -0.544) 15.617 4.198 ( -0.303 -2.740 -1.675) 3.226 4.268 ( -6.242 -2.017 9.021) 11.154 4.703 ( -5.489 4.424 13.561) 15.284 4.985 ( -4.818 23.844 4.018) 24.656 5.118 ( -10.453 -5.173 -5.478) 12.885 5.242 ( 13.850 3.779 3.679) 14.820 5.645 ( -0.836 -17.109 1.783) 17.222 6.033 ( 2.460 3.456 -3.764) 5.672 6.075 ( -8.542 -1.845 -4.336) 9.755 6.344 ( 12.223 0.369 -6.367) 13.787 7.162 ( -1.808 -0.780 -10.862) 11.039 7.325 ( -5.888 -0.184 2.361) 6.346 7.848 ( -0.879 -2.080 -1.748) 2.855 8.012 ( 6.795 -7.172 3.166) 10.375 8.172 ( 0.817 -1.967 8.854) 9.106 8.464 ( -0.883 -0.739 3.150) 3.354 8.603 ( 1.294 1.282 2.083) 2.768 9.068 ( -4.821 7.408 3.587) 9.539 9.104 ( -3.617 -0.822 3.538) 5.126 9.746 ( 2.849 -1.935 -2.433) 4.216 9.974 ( 13.263 11.477 -2.842) 17.769 10.147 ( 4.569 7.358 0.720) 8.691 10.316 ( -1.595 0.284 -1.807) 2.427 10.356 ( 4.530 -3.592 6.607) 8.779 10.414 ( -3.148 -8.437 -0.178) 9.007 10.537 ( -4.002 -5.311 2.412) 7.074 10.700 ( -2.042 -0.656 -5.073) 5.508 10.815 ( 14.842 2.091 -1.805) 15.097 10.906 ( 1.662 -3.086 15.133) 15.534 11.820 ( -11.692 8.745 4.469) 15.269 12.028 ( -9.633 -3.498 3.336) 10.777 12.234 ( -3.690 1.589 -6.361) 7.523 12.284 ( 6.506 -0.268 3.862) 7.571 12.378 ( -0.386 -1.596 -2.286) 2.814 12.608 ( 1.288 -3.653 -3.061) 4.937 13.795 ( 1.868 -0.031 -5.224) 5.548 14.374 ( -4.415 1.886 4.033) 6.270 14.616 ( -2.218 -3.002 -5.558) 6.695 15.042 ( -2.758 6.974 1.932) 7.745 15.413 ( -5.711 1.617 -9.989) 11.620 15.880 ( -1.059 -6.459 -8.427) 10.670 16.362 ( -6.663 -2.634 8.488) 11.108 17.022 ( -1.276 -0.370 9.054) 9.151 17.365 ( 1.690 2.932 10.183) 10.730 17.527 ( -5.328 -9.569 -2.032) 11.139 18.893 ( 2.854 1.453 6.418) 7.173 19.446 ( 6.261 12.172 -23.948) 27.584 19.627 ( 4.875 -0.030 -18.695) 19.320 20.224 ( -2.209 -4.099 -8.349) 9.559 20.696 ( 1.627 0.101 22.515) 22.574 21.528 ( -1.046 -0.338 0.526) 1.219 ======================= Grid point 90 (36/84) ======================= q-point: (-0.50 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( -17.460 -0.714 -1.069) 17.508 1.652 ( -6.619 12.376 -4.042) 14.605 2.343 ( 2.950 14.060 -1.818) 14.481 2.488 ( -1.088 1.408 1.822) 2.546 2.634 ( 2.896 -1.935 8.993) 9.644 2.670 ( 6.092 -2.304 0.685) 6.549 2.846 ( -4.955 6.775 11.473) 14.216 3.123 ( -5.438 -1.936 1.829) 6.056 3.249 ( -12.246 -2.802 0.783) 12.587 3.443 ( 2.546 -7.404 5.957) 9.838 3.527 ( 11.252 5.034 -1.051) 12.371 3.697 ( 4.637 0.481 -8.933) 10.076 3.833 ( 4.130 2.256 0.140) 4.708 4.060 ( -2.860 -12.383 0.698) 12.728 4.115 ( -7.448 -7.966 5.341) 12.143 4.254 ( -0.479 -5.197 -7.173) 8.871 4.332 ( 6.824 -3.294 8.134) 11.117 4.487 ( -6.330 27.091 9.384) 29.360 4.593 ( -6.012 8.339 7.138) 12.516 5.073 ( -3.600 -8.638 -1.930) 9.555 5.443 ( 13.347 6.021 5.076) 15.497 5.832 ( -0.386 -13.062 1.063) 13.111 5.998 ( -1.568 -4.549 -3.573) 5.994 6.008 ( -3.951 -0.071 -2.869) 4.883 6.499 ( 9.158 4.246 -5.230) 11.369 7.156 ( -1.020 -2.852 -10.457) 10.887 7.243 ( -5.017 -1.571 4.980) 7.241 7.861 ( 0.391 0.459 -5.042) 5.078 8.189 ( 0.251 -1.982 11.813) 11.981 8.239 ( 4.796 -11.773 -2.027) 12.873 8.419 ( -4.640 1.553 -5.041) 7.026 8.639 ( 4.220 0.489 9.877) 10.751 8.891 ( -0.329 11.517 9.550) 14.965 9.119 ( -0.040 -5.551 3.582) 6.606 9.834 ( 3.457 -3.544 -2.700) 5.639 9.952 ( 0.144 8.239 -2.354) 8.570 10.088 ( -5.092 5.092 1.220) 7.304 10.294 ( -1.514 0.720 0.021) 1.676 10.363 ( -2.137 -0.857 0.368) 2.332 10.471 ( 8.370 -2.325 9.059) 12.551 10.581 ( -1.557 -1.411 -4.047) 4.560 10.690 ( -0.608 -1.636 -7.149) 7.358 10.967 ( 11.158 9.770 0.116) 14.832 11.063 ( 5.833 -6.147 14.808) 17.061 11.519 ( -10.237 10.161 6.079) 15.652 11.976 ( -6.536 -5.377 -1.397) 8.578 12.144 ( -1.491 -2.310 -1.320) 3.050 12.365 ( -1.109 -4.801 0.001) 4.928 12.424 ( 2.659 -3.995 -2.061) 5.223 12.721 ( 5.588 -3.871 -0.060) 6.798 13.801 ( -0.092 1.594 -4.708) 4.971 14.263 ( -4.327 4.776 3.175) 7.184 14.656 ( 0.362 -6.345 -4.648) 7.874 14.916 ( -2.772 4.972 1.126) 5.803 15.333 ( -0.733 2.117 -9.213) 9.482 15.887 ( -7.126 -5.327 -10.202) 13.536 16.326 ( -4.360 -6.806 9.550) 12.512 17.014 ( -0.221 -0.018 8.954) 8.956 17.375 ( 2.259 0.672 7.517) 7.878 17.556 ( -6.248 -11.433 -0.943) 13.063 18.891 ( 0.669 3.744 6.835) 7.822 19.429 ( 8.974 11.935 -24.349) 28.563 19.678 ( 4.626 3.503 -18.489) 19.378 20.212 ( -4.797 -2.562 -9.749) 11.164 20.716 ( 1.265 0.657 22.517) 22.562 21.525 ( -0.369 -1.140 0.848) 1.468 ======================= Grid point 91 (37/84) ======================= q-point: (-0.38 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( -15.976 -1.786 0.778) 16.095 1.379 ( -8.495 10.898 -1.567) 13.906 2.077 ( -3.562 25.627 1.855) 25.940 2.151 ( -14.057 21.096 1.048) 25.372 2.723 ( -3.020 -9.795 2.270) 10.498 2.801 ( 2.817 -4.801 -2.236) 5.998 2.835 ( 4.067 1.372 15.178) 15.773 3.037 ( -6.678 -5.973 1.402) 9.069 3.184 ( -0.861 -3.444 -2.506) 4.345 3.486 ( -3.445 16.557 8.877) 19.100 3.618 ( 3.992 -2.700 -2.062) 5.242 3.723 ( -2.390 -2.137 7.117) 7.806 3.870 ( 5.003 10.325 -0.969) 11.514 3.963 ( 2.139 7.120 3.120) 8.062 4.174 ( -4.835 -15.494 -1.645) 16.314 4.239 ( -0.315 -5.896 11.273) 12.725 4.356 ( 2.647 1.020 -1.353) 3.142 4.399 ( 0.338 2.427 1.803) 3.043 4.570 ( -0.243 -9.945 3.532) 10.557 5.215 ( 9.237 -5.796 -1.569) 11.018 5.490 ( 3.564 5.935 0.694) 6.958 5.848 ( -6.388 7.785 -3.246) 10.581 5.951 ( 0.358 -3.993 -1.530) 4.291 6.134 ( 0.251 -13.938 -0.007) 13.940 6.540 ( 4.367 7.442 -3.932) 9.482 7.174 ( -1.243 -0.766 1.670) 2.218 7.229 ( -0.759 -6.510 -7.257) 9.779 7.847 ( 0.933 3.769 -4.081) 5.633 8.156 ( -2.989 2.274 6.819) 7.785 8.306 ( -4.073 3.034 -7.041) 8.681 8.438 ( 2.594 -3.231 -0.381) 4.161 8.678 ( 1.062 -6.354 14.228) 15.619 8.889 ( 8.335 2.508 14.400) 16.826 9.218 ( 1.615 -8.563 3.613) 9.433 9.826 ( -7.495 -0.304 -1.073) 7.577 9.881 ( -3.319 3.596 1.252) 5.051 9.991 ( 1.157 -4.380 -0.079) 4.531 10.238 ( -3.431 0.538 -0.643) 3.532 10.385 ( 4.567 5.375 -4.328) 8.275 10.524 ( -3.931 -0.414 -5.263) 6.582 10.682 ( 8.138 -1.708 4.194) 9.313 10.708 ( 7.983 1.819 -3.268) 8.816 10.912 ( 3.982 19.131 -0.520) 19.548 11.181 ( -0.428 -5.494 14.842) 15.832 11.282 ( -8.496 5.335 7.596) 12.584 11.870 ( -6.238 1.673 -3.055) 7.145 12.253 ( 2.470 -9.980 0.721) 10.307 12.420 ( -3.148 -10.340 -1.259) 10.881 12.564 ( 5.161 -9.506 -0.988) 10.862 12.835 ( 3.577 -1.569 0.463) 3.933 13.760 ( -0.856 3.726 -2.940) 4.822 14.134 ( -3.672 5.169 4.255) 7.636 14.734 ( 2.016 0.139 -0.083) 2.023 14.874 ( -0.944 -5.366 -4.665) 7.173 15.355 ( 6.421 1.966 -9.047) 11.267 15.762 ( -12.318 -1.128 -10.761) 16.395 16.378 ( -1.845 -11.180 9.987) 15.104 17.010 ( -0.084 0.249 9.573) 9.577 17.422 ( 3.008 -0.921 9.036) 9.568 17.589 ( -6.581 -13.184 -3.318) 15.104 18.832 ( -0.504 6.388 7.032) 9.513 19.456 ( 7.649 8.500 -29.397) 31.543 19.725 ( 8.916 6.186 -14.648) 18.229 20.103 ( -9.753 1.527 -11.772) 15.363 20.722 ( 0.745 0.978 23.048) 23.081 21.541 ( 0.090 -1.945 0.766) 2.093 ======================= Grid point 92 (38/84) ======================= q-point: (-0.25 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( 0.000 -1.665 1.147) 2.022 1.179 ( -0.000 10.061 0.938) 10.104 1.710 ( -0.000 30.244 5.057) 30.664 1.736 ( -0.000 25.017 4.475) 25.414 2.754 ( 0.000 -2.565 -1.494) 2.968 2.856 ( -0.000 0.036 12.832) 12.832 2.876 ( -0.000 5.228 1.257) 5.377 2.948 ( -0.000 33.064 16.579) 36.988 3.147 ( 0.000 -16.655 0.114) 16.655 3.273 ( 0.000 -2.420 -4.740) 5.322 3.684 ( 0.000 -2.692 -6.172) 6.733 3.710 ( -0.000 19.892 2.250) 20.019 3.812 ( 0.000 -9.412 13.210) 16.220 4.081 ( 0.000 -11.853 1.707) 11.976 4.262 ( -0.000 4.152 -0.655) 4.203 4.322 ( 0.000 -8.088 1.155) 8.170 4.333 ( 0.000 -9.188 12.368) 15.407 4.473 ( 0.000 -12.362 -2.779) 12.671 4.712 ( 0.000 -13.931 3.145) 14.281 5.390 ( 0.000 -3.007 -2.649) 4.007 5.469 ( -0.000 4.977 -1.593) 5.226 5.639 ( -0.000 11.550 -3.915) 12.195 5.959 ( -0.000 1.278 -3.657) 3.874 6.264 ( 0.000 -5.060 -1.647) 5.321 6.493 ( -0.000 4.488 -2.554) 5.164 7.166 ( 0.000 -0.586 6.042) 6.070 7.304 ( 0.000 -5.331 -14.078) 15.054 7.792 ( -0.000 7.268 2.024) 7.545 8.089 ( -0.000 3.666 -1.459) 3.945 8.223 ( -0.000 4.388 -6.670) 7.984 8.408 ( -0.000 4.775 16.078) 16.772 8.862 ( 0.000 -11.990 8.445) 14.666 8.975 ( 0.000 -7.863 11.867) 14.235 9.345 ( 0.000 -9.547 3.300) 10.101 9.783 ( -0.000 4.762 2.140) 5.220 9.799 ( 0.000 -6.000 -0.234) 6.004 10.097 ( 0.000 -6.321 0.554) 6.345 10.175 ( -0.000 3.121 -1.108) 3.312 10.318 ( -0.000 11.512 -9.143) 14.701 10.533 ( 0.000 -5.786 -5.183) 7.768 10.608 ( -0.000 17.828 -4.981) 18.511 10.783 ( -0.000 1.612 -8.516) 8.667 10.985 ( -0.000 0.155 8.435) 8.437 11.052 ( 0.000 -1.038 12.138) 12.183 11.211 ( 0.000 -1.471 17.096) 17.159 11.773 ( -0.000 5.649 -3.196) 6.491 12.442 ( 0.000 -16.299 2.105) 16.434 12.474 ( 0.000 -5.646 -1.810) 5.929 12.753 ( 0.000 -12.572 -1.254) 12.635 12.866 ( -0.000 0.428 -0.939) 1.032 13.698 ( -0.000 5.245 -0.709) 5.293 14.055 ( -0.000 2.350 7.195) 7.569 14.704 ( -0.000 5.247 3.257) 6.176 14.979 ( 0.000 -9.655 -10.592) 14.332 15.440 ( -0.000 3.858 -7.521) 8.453 15.587 ( -0.000 0.787 -10.638) 10.667 16.517 ( 0.000 -14.586 9.843) 17.596 17.009 ( 0.000 -0.526 11.229) 11.241 17.467 ( 0.000 -0.859 12.295) 12.325 17.691 ( 0.000 -16.674 -6.982) 18.077 18.738 ( -0.000 8.461 6.858) 10.891 19.443 ( -0.000 7.130 -34.429) 35.159 19.788 ( -0.000 14.589 -6.158) 15.836 19.904 ( 0.000 -0.579 -19.507) 19.515 20.720 ( -0.000 0.456 23.920) 23.925 21.568 ( 0.000 -2.261 0.384) 2.293 ======================= Grid point 97 (39/84) ======================= q-point: ( 0.38 -0.62 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( -18.465 -0.000 -1.483) 18.525 1.834 ( -7.919 -0.000 -8.901) 11.914 2.330 ( -4.604 -0.000 4.136) 6.189 2.510 ( 13.699 0.000 6.194) 15.034 2.647 ( 4.891 0.000 9.654) 10.823 2.709 ( 4.818 0.000 -7.264) 8.716 3.062 ( -7.888 -0.000 0.393) 7.898 3.136 ( -0.462 -0.000 3.000) 3.036 3.174 ( 2.226 0.000 12.601) 12.796 3.258 ( -15.772 -0.000 9.289) 18.304 3.693 ( 15.792 0.000 -3.757) 16.233 3.700 ( 5.302 0.000 -15.200) 16.098 3.783 ( -18.529 -0.000 1.633) 18.601 3.870 ( -1.719 -0.000 -0.126) 1.724 3.998 ( 3.347 0.000 5.308) 6.275 4.192 ( 0.738 0.000 0.805) 1.092 4.264 ( 7.397 0.000 2.819) 7.916 4.717 ( 4.830 0.000 12.703) 13.590 4.895 ( -10.648 -0.000 -6.671) 12.565 5.156 ( 0.170 0.000 6.324) 6.327 5.397 ( -5.698 -0.000 4.694) 7.382 5.564 ( 17.203 0.000 4.730) 17.842 5.867 ( -12.611 -0.000 -4.047) 13.245 6.078 ( -0.683 -0.000 -1.757) 1.885 6.551 ( 10.859 0.000 -6.762) 12.793 7.110 ( -3.120 -0.000 -7.359) 7.993 7.232 ( -4.948 -0.000 4.194) 6.486 7.856 ( 2.817 0.000 -3.644) 4.606 8.070 ( 5.027 0.000 3.422) 6.081 8.187 ( 1.311 0.000 5.173) 5.337 8.438 ( -2.933 -0.000 -0.837) 3.050 8.653 ( 4.614 0.000 6.751) 8.178 9.046 ( -1.822 -0.000 3.840) 4.250 9.058 ( -1.906 -0.000 5.784) 6.089 9.776 ( 2.146 0.000 -2.781) 3.513 10.082 ( -1.639 -0.000 -4.044) 4.363 10.124 ( -17.246 -0.000 0.771) 17.263 10.308 ( -6.926 -0.000 5.117) 8.611 10.330 ( 1.896 0.000 -2.991) 3.542 10.509 ( 15.368 0.000 3.241) 15.706 10.517 ( 9.215 0.000 -0.067) 9.215 10.681 ( 0.054 0.000 -5.234) 5.234 10.916 ( 3.019 0.000 16.090) 16.371 11.126 ( 17.083 0.000 1.514) 17.150 11.723 ( -6.541 -0.000 4.381) 7.873 11.824 ( -8.776 -0.000 2.417) 9.102 12.139 ( -8.899 -0.000 -3.493) 9.560 12.330 ( -2.333 -0.000 -1.810) 2.953 12.346 ( -1.658 -0.000 -1.695) 2.371 12.672 ( 8.763 0.000 2.143) 9.022 13.819 ( 0.853 0.000 -5.665) 5.729 14.366 ( 1.206 0.000 1.126) 1.650 14.527 ( -4.924 -0.000 -4.353) 6.572 14.998 ( -6.654 -0.000 2.126) 6.986 15.368 ( -0.273 -0.000 -11.085) 11.089 15.799 ( -4.465 -0.000 -9.602) 10.589 16.242 ( -5.403 -0.000 10.109) 11.463 17.015 ( 0.372 0.000 8.631) 8.639 17.396 ( -3.666 -0.000 -6.050) 7.074 17.414 ( 1.170 0.000 12.689) 12.743 18.936 ( 1.324 0.000 7.331) 7.450 19.553 ( 1.840 0.000 -31.750) 31.803 19.749 ( 6.764 0.000 -14.460) 15.964 20.167 ( -1.732 -0.000 -6.715) 6.935 20.724 ( 1.512 0.000 22.434) 22.485 21.511 ( -0.709 -0.000 1.076) 1.288 ======================= Grid point 99 (40/84) ======================= q-point: (-0.50 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( -17.559 -1.305 0.961) 17.634 1.615 ( -10.398 8.186 -6.363) 14.684 2.230 ( -12.215 -9.525 5.150) 16.323 2.585 ( 2.499 13.566 0.557) 13.806 2.678 ( 1.374 4.239 3.372) 5.588 2.757 ( 3.031 2.934 0.102) 4.220 2.928 ( -4.940 2.272 9.996) 11.379 3.020 ( -2.290 0.670 1.529) 2.834 3.110 ( -3.027 8.340 2.464) 9.208 3.258 ( -1.811 -15.300 8.146) 17.428 3.620 ( -7.289 -7.754 -2.108) 10.848 3.761 ( 0.890 -6.623 -3.612) 7.597 3.798 ( -0.301 -3.797 -1.852) 4.236 3.991 ( 5.645 2.842 3.468) 7.210 4.029 ( 4.663 -0.367 5.883) 7.516 4.213 ( 0.481 -1.289 -2.684) 3.016 4.390 ( 1.763 -3.392 -1.745) 4.202 4.667 ( -0.120 11.875 -2.344) 12.104 4.834 ( -1.256 32.156 9.067) 33.433 5.028 ( 13.030 -8.174 3.128) 15.696 5.583 ( -0.613 -18.808 2.904) 19.041 5.628 ( -5.499 -1.556 0.289) 5.722 5.850 ( 4.525 -7.145 3.068) 8.997 6.015 ( -4.061 3.492 -0.463) 5.376 6.671 ( 5.608 3.063 -6.578) 9.171 7.089 ( -1.392 -3.615 -7.139) 8.123 7.170 ( -2.728 -0.259 6.140) 6.724 7.901 ( 2.524 1.054 -5.785) 6.399 8.180 ( 2.645 -7.516 5.983) 9.964 8.200 ( 0.799 0.756 2.054) 2.330 8.361 ( -4.397 1.400 -5.052) 6.843 8.737 ( 4.770 2.035 8.245) 9.740 9.033 ( 4.358 6.207 12.280) 14.434 9.053 ( -0.072 -4.172 4.630) 6.233 9.792 ( -11.601 -0.514 0.364) 11.618 9.846 ( -5.611 -5.199 0.916) 7.704 10.018 ( -2.060 4.694 -2.037) 5.516 10.234 ( -3.133 -1.498 -2.134) 4.076 10.377 ( 2.081 -1.560 -3.419) 4.295 10.626 ( 2.858 4.043 1.510) 5.176 10.647 ( 1.345 -0.905 -7.278) 7.456 10.739 ( 11.819 2.113 4.571) 12.847 11.025 ( 3.104 -5.328 12.641) 14.065 11.276 ( 5.838 6.805 6.306) 10.962 11.531 ( -2.640 15.811 3.391) 16.385 11.811 ( -5.471 -5.239 0.061) 7.575 12.054 ( -2.306 -10.908 -0.352) 11.155 12.243 ( -5.216 0.219 -1.745) 5.505 12.370 ( -1.177 -7.282 -2.163) 7.687 12.815 ( 6.589 -0.299 2.771) 7.154 13.820 ( 0.107 1.306 -4.862) 5.035 14.310 ( -0.887 9.642 -0.402) 9.691 14.561 ( 0.674 -10.966 -4.213) 11.767 14.877 ( -5.412 1.752 1.875) 5.990 15.404 ( 5.656 1.448 -10.841) 12.314 15.712 ( -8.217 -1.993 -11.215) 14.045 16.196 ( -3.035 -4.123 11.225) 12.338 17.022 ( 0.537 0.442 8.405) 8.433 17.364 ( -1.958 -3.130 -5.531) 6.650 17.435 ( 0.025 -1.287 11.238) 11.312 18.936 ( 0.314 2.347 7.684) 8.040 19.567 ( 1.569 2.035 -31.841) 31.944 19.827 ( 5.423 2.228 -15.535) 16.605 20.137 ( -2.528 1.067 -7.225) 7.729 20.741 ( 0.861 0.476 22.570) 22.591 21.508 ( -0.262 -0.819 1.384) 1.630 ======================= Grid point 100 (41/84) ======================= q-point: (-0.38 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( 0.000 -2.721 1.936) 3.339 1.408 ( -0.000 9.824 -3.503) 10.430 2.164 ( -0.000 3.264 2.154) 3.910 2.361 ( -0.000 24.887 1.904) 24.960 2.630 ( -0.000 0.246 1.604) 1.622 2.770 ( 0.000 -2.440 -1.603) 2.920 2.888 ( -0.000 0.364 10.808) 10.814 2.975 ( -0.000 4.444 3.427) 5.612 3.096 ( 0.000 -7.949 0.103) 7.949 3.430 ( 0.000 -15.180 11.098) 18.804 3.629 ( 0.000 -3.131 -6.233) 6.976 3.851 ( 0.000 -7.440 -1.375) 7.566 3.890 ( -0.000 25.840 8.077) 27.073 3.929 ( 0.000 -16.560 0.781) 16.578 4.051 ( 0.000 -3.649 5.009) 6.197 4.238 ( 0.000 -0.262 -5.673) 5.680 4.411 ( -0.000 5.407 4.619) 7.111 4.521 ( -0.000 11.947 8.902) 14.899 4.540 ( -0.000 10.995 -2.672) 11.316 5.265 ( 0.000 -7.155 -0.127) 7.156 5.534 ( -0.000 0.966 -1.647) 1.910 5.820 ( 0.000 -7.900 -1.273) 8.002 5.917 ( 0.000 -1.031 0.948) 1.400 5.973 ( 0.000 -8.569 4.218) 9.551 6.663 ( -0.000 6.213 -5.689) 8.424 7.144 ( 0.000 -6.915 -8.942) 11.304 7.152 ( 0.000 -0.555 6.859) 6.882 7.900 ( -0.000 2.876 -6.217) 6.850 8.170 ( -0.000 3.416 6.845) 7.650 8.301 ( -0.000 2.120 -6.687) 7.015 8.338 ( 0.000 -13.857 1.149) 13.904 8.714 ( -0.000 6.714 10.043) 12.081 9.031 ( -0.000 5.832 16.262) 17.276 9.129 ( 0.000 -8.174 4.303) 9.238 9.658 ( 0.000 -4.378 2.147) 4.876 9.921 ( 0.000 -7.935 -0.712) 7.967 9.931 ( -0.000 6.473 -0.429) 6.487 10.220 ( -0.000 0.037 -3.193) 3.193 10.424 ( 0.000 -3.301 -4.596) 5.659 10.555 ( -0.000 8.811 -1.109) 8.881 10.667 ( 0.000 -1.919 -10.148) 10.328 10.936 ( 0.000 -5.882 8.971) 10.728 11.017 ( -0.000 2.248 9.939) 10.190 11.193 ( -0.000 17.777 4.391) 18.312 11.326 ( -0.000 11.422 6.628) 13.206 11.795 ( 0.000 -4.413 0.292) 4.423 12.190 ( 0.000 -3.123 -0.516) 3.166 12.245 ( 0.000 -14.701 -1.055) 14.739 12.472 ( 0.000 -11.008 -1.834) 11.160 12.869 ( -0.000 0.192 2.327) 2.335 13.795 ( -0.000 2.932 -3.815) 4.811 14.187 ( -0.000 8.678 1.373) 8.786 14.719 ( 0.000 -12.288 -6.278) 13.799 14.801 ( -0.000 2.841 2.274) 3.639 15.489 ( -0.000 0.589 -9.067) 9.087 15.601 ( -0.000 0.420 -12.490) 12.497 16.243 ( 0.000 -8.389 11.110) 13.921 17.019 ( -0.000 0.836 8.790) 8.829 17.410 ( 0.000 -7.663 -6.563) 10.090 17.445 ( 0.000 -0.872 11.943) 11.975 18.895 ( -0.000 4.819 7.626) 9.021 19.554 ( -0.000 3.014 -32.343) 32.483 19.885 ( 0.000 -0.842 -17.147) 17.167 20.046 ( -0.000 7.598 -6.448) 9.966 20.740 ( -0.000 0.895 22.816) 22.834 21.520 ( 0.000 -1.635 1.240) 2.053 ======================= Grid point 108 (42/84) ======================= q-point: (-0.50 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( 0.000 -0.000 2.405) 2.405 1.566 ( -0.000 0.000 -7.709) 7.709 2.056 ( 0.000 -0.000 8.639) 8.639 2.676 ( 0.000 -0.000 6.831) 6.831 2.695 ( 0.000 -0.000 0.401) 0.401 2.838 ( 0.000 -0.000 -4.890) 4.890 2.890 ( 0.000 -0.000 9.554) 9.554 3.002 ( 0.000 -0.000 4.891) 4.891 3.110 ( 0.000 -0.000 5.554) 5.554 3.220 ( -0.000 0.000 -1.744) 1.744 3.444 ( 0.000 -0.000 6.429) 6.429 3.729 ( 0.000 -0.000 -5.593) 5.593 3.763 ( 0.000 -0.000 -2.838) 2.838 3.962 ( 0.000 -0.000 7.778) 7.778 4.189 ( 0.000 -0.000 1.133) 1.133 4.223 ( 0.000 -0.000 0.242) 0.242 4.383 ( 0.000 -0.000 -4.014) 4.014 4.703 ( 0.000 -0.000 -6.942) 6.942 5.136 ( -0.000 0.000 6.108) 6.108 5.145 ( 0.000 -0.000 3.436) 3.436 5.323 ( 0.000 -0.000 7.428) 7.428 5.540 ( 0.000 -0.000 -1.510) 1.510 5.888 ( 0.000 -0.000 5.040) 5.040 5.989 ( 0.000 -0.000 1.185) 1.185 6.736 ( 0.000 -0.000 -7.195) 7.195 7.055 ( 0.000 -0.000 -6.562) 6.562 7.145 ( 0.000 -0.000 7.065) 7.065 7.933 ( 0.000 -0.000 -5.957) 5.957 8.155 ( 0.000 -0.000 5.553) 5.553 8.222 ( 0.000 -0.000 2.093) 2.093 8.323 ( 0.000 -0.000 -6.402) 6.402 8.797 ( 0.000 -0.000 7.414) 7.414 9.017 ( 0.000 -0.000 4.883) 4.883 9.144 ( 0.000 -0.000 16.843) 16.843 9.607 ( 0.000 -0.000 2.776) 2.776 9.803 ( 0.000 -0.000 -2.072) 2.072 10.034 ( 0.000 -0.000 -2.380) 2.380 10.190 ( 0.000 -0.000 -4.452) 4.452 10.391 ( 0.000 -0.000 -2.827) 2.827 10.642 ( 0.000 -0.000 -9.062) 9.062 10.693 ( 0.000 -0.000 5.571) 5.571 10.831 ( 0.000 -0.000 2.649) 2.649 11.053 ( 0.000 -0.000 10.597) 10.597 11.322 ( 0.000 -0.000 10.972) 10.972 11.705 ( 0.000 -0.000 2.547) 2.547 11.771 ( 0.000 -0.000 -3.735) 3.735 11.845 ( -0.000 0.000 3.474) 3.474 12.228 ( 0.000 -0.000 -3.149) 3.149 12.289 ( -0.000 0.000 -1.382) 1.382 12.874 ( 0.000 -0.000 2.717) 2.717 13.829 ( 0.000 -0.000 -4.624) 4.624 14.413 ( 0.000 -0.000 -3.319) 3.319 14.452 ( -0.000 0.000 -2.341) 2.341 14.833 ( 0.000 -0.000 1.686) 1.686 15.491 ( 0.000 -0.000 -9.850) 9.850 15.606 ( 0.000 -0.000 -13.219) 13.219 16.145 ( 0.000 -0.000 11.986) 11.986 17.031 ( 0.000 -0.000 8.182) 8.182 17.324 ( 0.000 -0.000 -6.504) 6.504 17.434 ( 0.000 -0.000 11.864) 11.864 18.952 ( 0.000 -0.000 7.935) 7.935 19.589 ( 0.000 -0.000 -32.113) 32.113 19.874 ( 0.000 -0.000 -16.513) 16.513 20.134 ( 0.000 -0.000 -6.540) 6.540 20.751 ( 0.000 -0.000 22.584) 22.584 21.500 ( 0.000 -0.000 1.624) 1.624 ======================= Grid point 138 (43/84) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( 0.000 0.000 9.781) 9.781 1.135 ( 0.000 0.000 0.255) 0.255 1.310 ( 0.000 0.000 34.158) 34.158 1.402 ( 0.000 0.000 23.604) 23.604 2.326 ( 0.000 0.000 57.513) 57.513 2.608 ( 0.000 0.000 -12.915) 12.915 2.952 ( 0.000 0.000 -16.530) 16.530 2.975 ( 0.000 0.000 9.392) 9.392 3.127 ( 0.000 0.000 18.740) 18.740 3.533 ( 0.000 0.000 -7.343) 7.343 3.720 ( 0.000 0.000 2.066) 2.066 3.822 ( 0.000 0.000 -2.278) 2.278 3.971 ( 0.000 0.000 -2.396) 2.396 4.017 ( 0.000 0.000 15.513) 15.513 4.536 ( 0.000 0.000 1.918) 1.918 4.662 ( 0.000 0.000 -2.636) 2.636 4.821 ( 0.000 0.000 -27.682) 27.682 4.970 ( 0.000 0.000 22.305) 22.305 5.149 ( 0.000 0.000 -11.910) 11.910 5.185 ( 0.000 0.000 -1.054) 1.054 5.269 ( 0.000 0.000 -5.454) 5.454 5.340 ( 0.000 0.000 15.871) 15.871 5.624 ( 0.000 0.000 -7.402) 7.402 5.876 ( 0.000 0.000 14.371) 14.371 6.521 ( 0.000 0.000 -8.442) 8.442 6.960 ( 0.000 0.000 -26.319) 26.319 7.295 ( 0.000 0.000 8.074) 8.074 7.466 ( 0.000 0.000 8.098) 8.098 7.920 ( 0.000 0.000 -10.251) 10.251 8.099 ( 0.000 0.000 -10.243) 10.243 9.050 ( 0.000 0.000 10.141) 10.141 9.064 ( 0.000 0.000 19.247) 19.247 9.508 ( 0.000 0.000 8.134) 8.134 9.687 ( 0.000 0.000 2.359) 2.359 9.751 ( 0.000 0.000 5.181) 5.181 9.844 ( 0.000 0.000 -8.060) 8.060 9.879 ( 0.000 0.000 -5.159) 5.159 9.924 ( 0.000 0.000 12.799) 12.799 10.111 ( 0.000 0.000 5.283) 5.283 10.217 ( 0.000 0.000 -7.847) 7.847 10.628 ( 0.000 0.000 -16.825) 16.825 10.716 ( 0.000 0.000 -6.769) 6.769 11.036 ( 0.000 0.000 12.378) 12.378 11.151 ( 0.000 0.000 4.834) 4.834 11.401 ( 0.000 0.000 -2.371) 2.371 12.115 ( 0.000 0.000 5.036) 5.036 12.476 ( 0.000 0.000 -5.027) 5.027 12.492 ( 0.000 0.000 -25.924) 25.924 13.057 ( 0.000 0.000 0.861) 0.861 13.072 ( 0.000 0.000 0.627) 0.627 13.908 ( 0.000 0.000 17.155) 17.155 14.570 ( 0.000 0.000 -4.014) 4.014 14.620 ( 0.000 0.000 6.628) 6.628 14.690 ( 0.000 0.000 5.273) 5.273 15.111 ( 0.000 0.000 -8.899) 8.899 15.323 ( 0.000 0.000 -13.982) 13.982 17.297 ( 0.000 0.000 16.853) 16.853 17.772 ( 0.000 0.000 20.728) 20.728 17.939 ( 0.000 0.000 0.010) 0.010 17.952 ( 0.000 0.000 -0.223) 0.223 18.190 ( 0.000 0.000 -9.853) 9.853 18.675 ( 0.000 0.000 1.029) 1.029 18.893 ( 0.000 0.000 -6.662) 6.662 19.335 ( 0.000 0.000 -30.631) 30.631 21.161 ( 0.000 0.000 14.447) 14.447 21.596 ( 0.000 0.000 -2.664) 2.664 ======================= Grid point 139 (44/84) ======================= q-point: ( 0.12 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( 14.290 -2.228 5.635) 15.521 1.233 ( 11.303 -1.199 1.360) 11.448 1.431 ( 11.040 -4.100 26.777) 29.252 1.605 ( 17.679 -4.642 16.838) 24.852 2.566 ( 16.209 -14.186 48.321) 52.904 2.674 ( 6.939 -0.977 -11.450) 13.424 2.897 ( -5.232 0.363 -6.564) 8.402 2.929 ( -9.229 -5.422 3.041) 11.127 3.145 ( 1.172 -0.185 17.434) 17.474 3.462 ( -8.809 -1.254 -9.530) 13.038 3.681 ( -0.154 6.816 0.871) 6.873 3.754 ( -4.325 3.609 1.844) 5.927 3.936 ( -5.429 -6.011 -1.500) 8.238 4.113 ( 9.835 7.019 11.583) 16.738 4.465 ( -3.743 5.439 2.652) 7.115 4.695 ( 6.336 5.707 -6.227) 10.558 4.841 ( -1.009 -1.011 -15.493) 15.558 4.912 ( -4.362 1.329 13.136) 13.905 4.987 ( -8.519 -0.415 -9.284) 12.607 5.128 ( -8.637 -2.724 10.948) 14.208 5.240 ( 3.784 9.094 -7.655) 12.475 5.500 ( 10.052 -0.906 1.511) 10.205 5.672 ( 3.707 -3.223 -0.930) 5.000 5.925 ( -4.411 -12.896 7.645) 15.627 6.491 ( -2.829 1.133 -7.763) 8.340 6.914 ( -4.220 -0.063 -24.638) 24.996 7.347 ( 5.049 0.173 5.901) 7.768 7.560 ( 5.754 -6.672 6.454) 10.921 7.961 ( 3.586 -1.398 -10.565) 11.245 8.069 ( -1.013 2.974 -7.881) 8.484 9.017 ( 1.035 8.948 15.201) 17.670 9.068 ( -1.268 -1.230 19.079) 19.161 9.427 ( -13.134 -9.756 7.552) 18.020 9.551 ( -9.509 2.322 1.477) 9.900 9.706 ( -8.434 4.121 6.299) 11.305 9.800 ( 0.137 0.976 -0.643) 1.177 9.898 ( 2.442 -7.800 -0.455) 8.186 10.046 ( -5.891 -0.484 1.897) 6.208 10.061 ( 7.592 -0.599 -1.319) 7.729 10.227 ( 0.613 0.162 -7.185) 7.213 10.623 ( 1.351 2.698 -13.790) 14.116 10.752 ( 6.958 4.832 -5.660) 10.188 10.927 ( -9.872 -1.931 12.662) 16.171 11.172 ( -0.778 -2.308 11.536) 11.790 11.484 ( 5.747 -4.570 -3.346) 8.069 12.057 ( 1.196 9.063 6.414) 11.167 12.458 ( -1.105 1.129 -8.047) 8.201 12.519 ( -1.323 -3.706 -20.705) 21.075 12.875 ( -11.638 4.720 5.012) 13.522 12.995 ( -7.143 3.835 0.494) 8.122 13.856 ( -3.663 1.395 15.780) 16.259 14.461 ( 1.103 11.292 7.067) 13.367 14.714 ( 1.803 -6.259 -3.137) 7.230 14.811 ( 7.085 1.766 1.747) 7.507 15.112 ( 1.945 -1.811 -12.988) 13.257 15.432 ( 9.095 -2.447 -13.138) 16.165 17.144 ( -10.243 7.736 14.619) 19.454 17.605 ( -4.570 17.627 11.297) 21.430 17.681 ( -7.775 -0.646 17.340) 19.014 18.135 ( -11.420 -24.403 -3.850) 27.217 18.301 ( 15.008 9.527 -6.902) 19.069 18.708 ( 5.881 3.800 -5.174) 8.706 19.029 ( 1.315 -10.615 -12.944) 16.792 19.515 ( 16.056 -5.313 -26.558) 31.486 21.128 ( -2.387 1.226 16.182) 16.403 21.588 ( -0.738 0.337 -2.596) 2.720 ======================= Grid point 140 (45/84) ======================= q-point: ( 0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( 11.586 1.338 3.869) 12.288 1.477 ( 13.705 -1.293 -1.871) 13.892 1.754 ( 16.823 -10.643 16.925) 26.130 1.987 ( 17.935 -8.942 13.297) 24.051 2.748 ( -8.814 1.254 -5.195) 10.308 2.795 ( -12.648 -11.233 6.454) 18.105 2.840 ( 5.301 -2.986 -6.069) 8.594 3.053 ( 8.331 -3.833 22.839) 24.611 3.152 ( -0.572 -10.228 9.453) 13.939 3.389 ( 3.658 -6.020 1.464) 7.195 3.566 ( -3.336 6.256 -1.817) 7.319 3.647 ( -3.158 2.315 4.755) 6.160 3.935 ( -5.172 -7.208 -0.448) 8.883 4.070 ( 3.533 16.668 8.856) 19.203 4.291 ( -5.847 10.825 5.823) 13.612 4.664 ( -4.035 6.542 -0.965) 7.746 4.763 ( 0.030 4.183 -7.132) 8.268 4.873 ( 0.189 1.975 10.159) 10.351 4.964 ( 4.696 7.346 -16.441) 18.609 5.091 ( -1.727 -6.533 13.647) 15.228 5.193 ( 4.321 4.544 -2.848) 6.887 5.633 ( 2.411 -2.169 -0.334) 3.260 5.764 ( -0.602 -7.723 -2.507) 8.142 6.004 ( -3.293 -10.989 0.377) 11.478 6.403 ( -5.555 2.069 -6.828) 9.042 6.854 ( -3.484 -0.725 -24.964) 25.216 7.422 ( 4.271 0.825 5.332) 6.881 7.752 ( 6.093 -6.599 4.198) 9.915 8.009 ( 0.793 0.220 -3.505) 3.600 8.078 ( 4.691 -2.271 -11.837) 12.933 8.869 ( -6.198 6.677 17.494) 19.724 9.025 ( -4.200 0.728 18.777) 19.255 9.324 ( -7.824 6.267 0.319) 10.030 9.415 ( -9.976 -10.708 7.963) 16.661 9.498 ( -4.778 7.219 8.379) 12.048 9.844 ( 2.334 -2.845 -5.424) 6.555 9.916 ( -6.637 -0.554 3.742) 7.639 10.080 ( 1.545 -10.169 -6.665) 12.256 10.179 ( 5.607 -2.724 -1.712) 6.465 10.265 ( 4.527 -2.894 -6.469) 8.409 10.616 ( 1.465 2.426 -7.986) 8.474 10.757 ( -1.209 3.445 0.458) 3.679 10.890 ( 5.962 2.103 11.831) 13.414 11.167 ( -5.256 -5.813 15.195) 17.096 11.653 ( 7.992 -3.294 -2.891) 9.115 11.990 ( 3.622 8.655 4.721) 10.503 12.390 ( -4.054 2.265 -3.080) 5.572 12.523 ( -2.963 -3.054 -18.074) 18.568 12.668 ( -8.477 3.650 -0.386) 9.238 12.762 ( -12.411 7.818 2.074) 14.814 13.788 ( -3.312 -0.706 10.521) 11.052 14.414 ( 5.059 6.522 5.679) 10.019 14.700 ( -5.410 -1.063 -7.391) 9.221 14.887 ( 6.723 5.495 6.785) 11.020 15.196 ( 5.626 1.093 -12.967) 14.177 15.625 ( 7.898 -5.389 -13.592) 16.619 16.900 ( -8.061 6.240 13.049) 16.559 17.381 ( -4.607 7.810 7.656) 11.867 17.606 ( -2.888 0.248 20.066) 20.274 18.184 ( -11.136 -18.130 -2.997) 21.487 18.375 ( 11.315 15.926 -11.036) 22.438 18.783 ( 3.874 -1.999 -3.681) 5.706 19.132 ( 1.905 -4.350 -14.793) 15.537 19.827 ( 11.533 -5.780 -22.356) 25.811 21.081 ( -1.714 0.446 17.685) 17.773 21.567 ( -0.992 0.546 -2.269) 2.536 ======================= Grid point 141 (46/84) ======================= q-point: ( 0.38 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( 4.774 2.408 3.086) 6.174 1.666 ( 7.216 -0.722 -3.202) 7.928 2.157 ( 16.021 -9.707 11.209) 21.830 2.362 ( 12.011 -11.241 12.820) 20.856 2.522 ( -14.624 -2.266 7.480) 16.581 2.731 ( -9.648 -7.547 2.670) 12.536 2.908 ( -3.645 0.478 6.270) 7.268 3.050 ( 5.904 -0.208 -9.610) 11.280 3.244 ( 0.166 -1.308 -3.591) 3.825 3.389 ( -8.369 3.083 -5.766) 10.621 3.601 ( -0.078 -0.750 5.909) 5.957 3.831 ( 6.724 -8.413 10.125) 14.782 3.848 ( 1.950 -2.232 8.821) 9.305 3.985 ( 2.314 11.322 2.865) 11.906 4.143 ( 4.759 1.421 6.957) 8.547 4.510 ( -5.291 3.177 3.615) 7.153 4.695 ( -1.297 5.989 -4.734) 7.743 4.843 ( 0.919 8.025 7.172) 10.802 4.900 ( 3.513 9.611 -3.061) 10.681 5.166 ( -2.602 -5.731 14.782) 16.066 5.267 ( 4.502 -0.557 0.368) 4.551 5.631 ( -3.755 -2.518 -6.570) 7.976 5.859 ( 2.923 -6.808 -3.440) 8.169 6.057 ( -1.494 -4.516 -1.593) 5.016 6.269 ( -7.034 2.432 -7.954) 10.893 6.818 ( -1.681 -0.460 -25.282) 25.342 7.465 ( 2.205 0.747 6.265) 6.684 7.858 ( 2.957 -0.054 3.529) 4.604 8.093 ( 2.448 -7.988 -3.620) 9.105 8.185 ( 4.262 -1.781 -14.210) 14.942 8.707 ( -5.429 4.064 13.333) 14.959 8.948 ( -3.630 -0.642 18.836) 19.193 9.106 ( -5.707 9.267 7.713) 13.339 9.277 ( -5.919 3.999 2.116) 7.450 9.494 ( -1.611 -5.565 8.501) 10.288 9.823 ( -3.897 -0.136 0.291) 3.910 9.899 ( 0.793 -0.984 -6.710) 6.828 10.141 ( -0.290 -2.299 -9.173) 9.461 10.353 ( 5.119 -6.444 1.163) 8.312 10.456 ( 8.965 -7.146 -2.116) 11.659 10.616 ( 0.151 -0.327 -4.593) 4.607 10.702 ( -1.029 2.178 3.220) 4.022 10.978 ( 7.492 3.522 12.251) 14.786 11.151 ( -5.716 -8.068 14.888) 17.872 11.770 ( 5.278 3.748 5.061) 8.217 12.001 ( 5.964 1.991 -5.120) 8.109 12.314 ( -1.597 2.218 -2.010) 3.393 12.438 ( -11.124 6.301 2.410) 13.010 12.475 ( -8.792 4.062 -0.315) 9.690 12.516 ( -4.742 -1.171 -16.511) 17.219 13.770 ( -0.730 -1.317 4.981) 5.204 14.439 ( 2.487 1.463 -1.435) 3.222 14.632 ( -1.386 1.800 -2.841) 3.638 14.906 ( 2.909 4.070 7.560) 9.065 15.249 ( 3.198 1.967 -9.229) 9.963 15.788 ( 4.418 -4.278 -14.494) 15.745 16.749 ( -3.865 2.957 12.408) 13.329 17.266 ( -2.092 2.996 5.227) 6.378 17.567 ( -1.477 0.259 20.994) 21.048 18.209 ( -10.204 -17.041 -4.005) 20.262 18.332 ( 8.745 18.462 -11.465) 23.426 18.852 ( 1.689 -1.530 -6.567) 6.951 19.203 ( 1.964 -2.068 -10.350) 10.735 20.011 ( 4.992 -2.910 -19.926) 20.747 21.062 ( -0.586 -0.156 17.765) 17.776 21.547 ( -0.646 0.384 -1.821) 1.970 ======================= Grid point 142 (47/84) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( 0.000 -0.000 3.002) 3.002 1.726 ( 0.000 -0.000 -3.700) 3.700 2.368 ( 0.000 -0.000 10.620) 10.620 2.458 ( -0.000 -0.000 8.284) 8.284 2.583 ( 0.000 0.000 10.215) 10.215 2.591 ( 0.000 -0.000 12.078) 12.078 2.870 ( 0.000 -0.000 -0.508) 0.508 3.197 ( -0.000 0.000 -9.377) 9.377 3.201 ( 0.000 -0.000 -5.474) 5.474 3.246 ( 0.000 -0.000 -4.429) 4.429 3.614 ( -0.000 -0.000 5.515) 5.515 3.783 ( 0.000 -0.000 1.695) 1.695 3.886 ( 0.000 0.000 9.059) 9.059 3.988 ( -0.000 -0.000 -3.778) 3.778 4.348 ( -0.000 0.000 3.333) 3.333 4.462 ( 0.000 -0.000 12.832) 12.832 4.608 ( 0.000 -0.000 3.432) 3.432 4.757 ( 0.000 -0.000 -0.230) 0.230 4.889 ( 0.000 -0.000 0.188) 0.188 5.132 ( 0.000 -0.000 22.363) 22.363 5.316 ( 0.000 -0.000 3.995) 3.995 5.614 ( 0.000 -0.000 -13.693) 13.693 5.988 ( 0.000 -0.000 0.523) 0.523 6.038 ( 0.000 -0.000 -2.625) 2.625 6.172 ( 0.000 -0.000 -10.940) 10.940 6.807 ( 0.000 -0.000 -25.226) 25.226 7.479 ( 0.000 -0.000 6.908) 6.908 7.883 ( 0.000 -0.000 2.574) 2.574 8.178 ( 0.000 -0.000 -5.590) 5.590 8.232 ( 0.000 -0.000 -14.862) 14.862 8.628 ( 0.000 -0.000 11.803) 11.803 8.956 ( -0.000 0.000 14.900) 14.900 8.962 ( 0.000 -0.000 17.354) 17.354 9.200 ( 0.000 -0.000 -1.770) 1.770 9.512 ( 0.000 -0.000 7.875) 7.875 9.793 ( 0.000 -0.000 0.633) 0.633 9.908 ( 0.000 -0.000 -8.813) 8.813 10.153 ( 0.000 -0.000 -8.954) 8.954 10.437 ( 0.000 -0.000 4.394) 4.394 10.606 ( 0.000 0.000 -5.513) 5.513 10.606 ( -0.000 -0.000 1.270) 1.270 10.680 ( 0.000 -0.000 3.206) 3.206 11.026 ( 0.000 -0.000 14.405) 14.405 11.163 ( 0.000 -0.000 11.488) 11.488 11.775 ( 0.000 -0.000 8.876) 8.876 12.075 ( 0.000 -0.000 -11.487) 11.487 12.261 ( 0.000 -0.000 2.233) 2.233 12.296 ( -0.000 -0.000 -0.443) 0.443 12.356 ( 0.000 -0.000 2.232) 2.232 12.489 ( 0.000 -0.000 -17.426) 17.426 13.775 ( 0.000 -0.000 2.883) 2.883 14.449 ( 0.000 -0.000 -6.767) 6.767 14.615 ( 0.000 -0.000 1.467) 1.467 14.904 ( 0.000 0.000 7.958) 7.958 15.263 ( 0.000 -0.000 -7.575) 7.575 15.851 ( 0.000 -0.000 -15.014) 15.014 16.701 ( 0.000 -0.000 12.297) 12.297 17.233 ( 0.000 -0.000 4.478) 4.478 17.553 ( 0.000 -0.000 21.219) 21.219 18.239 ( 0.000 0.000 -3.396) 3.396 18.277 ( -0.000 -0.000 -12.030) 12.030 18.874 ( 0.000 -0.000 -8.451) 8.451 19.232 ( 0.000 -0.000 -8.261) 8.261 20.067 ( 0.000 -0.000 -19.197) 19.197 21.059 ( 0.000 -0.000 17.636) 17.636 21.540 ( 0.000 -0.000 -1.608) 1.608 ======================= Grid point 148 (48/84) ======================= q-point: ( 0.12 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( 15.664 0.000 2.436) 15.852 1.443 ( 14.504 0.000 1.381) 14.570 1.645 ( 16.493 0.000 20.335) 26.182 1.881 ( 17.468 0.000 11.680) 21.013 2.632 ( -15.709 -0.000 7.731) 17.508 2.760 ( -15.630 -0.000 -1.514) 15.703 2.805 ( 7.990 0.000 -8.018) 11.319 2.870 ( 24.794 0.000 38.796) 46.042 3.181 ( 2.938 0.000 13.234) 13.556 3.306 ( -5.038 -0.000 -17.892) 18.588 3.667 ( -6.549 -0.000 7.536) 9.984 3.714 ( -2.340 -0.000 2.871) 3.704 3.765 ( -7.615 -0.000 -2.452) 8.000 4.412 ( -5.386 -0.000 3.454) 6.399 4.455 ( 19.490 0.000 8.549) 21.283 4.642 ( -14.742 -0.000 -0.316) 14.745 4.738 ( -7.873 -0.000 1.390) 7.995 4.878 ( 0.270 0.000 -8.141) 8.145 4.984 ( 4.924 0.000 -23.343) 23.857 5.033 ( 0.406 0.000 21.875) 21.879 5.422 ( 8.012 0.000 -10.879) 13.511 5.600 ( -2.555 -0.000 4.294) 4.997 5.717 ( -0.947 -0.000 11.731) 11.769 5.730 ( 1.908 0.000 -5.974) 6.271 6.425 ( -5.966 -0.000 -8.111) 10.069 6.844 ( -3.503 -0.000 -24.941) 25.186 7.435 ( 4.363 0.000 3.768) 5.764 7.644 ( 8.459 0.000 6.312) 10.555 8.040 ( 6.465 0.000 -11.381) 13.089 8.052 ( -3.002 -0.000 -5.323) 6.111 8.961 ( -18.015 -0.000 19.575) 26.603 9.038 ( -8.269 -0.000 21.957) 23.463 9.209 ( 9.496 0.000 6.487) 11.500 9.421 ( -8.462 -0.000 1.094) 8.533 9.598 ( -7.746 -0.000 4.331) 8.875 9.808 ( 3.565 0.000 -4.543) 5.775 9.892 ( -4.465 -0.000 6.247) 7.678 9.970 ( 1.050 0.000 -4.352) 4.477 10.152 ( 4.235 0.000 -1.707) 4.566 10.237 ( 1.450 0.000 -7.513) 7.652 10.660 ( 0.720 0.000 -9.701) 9.728 10.781 ( -4.391 -0.000 6.478) 7.826 10.927 ( 7.665 0.000 3.923) 8.611 11.102 ( -4.753 -0.000 15.251) 15.975 11.602 ( 10.977 0.000 -3.345) 11.475 12.115 ( 0.323 0.000 2.268) 2.291 12.418 ( -4.778 -0.000 -1.715) 5.077 12.477 ( -1.615 -0.000 -22.655) 22.712 12.698 ( -10.370 -0.000 6.348) 12.158 12.859 ( -12.360 -0.000 1.910) 12.507 13.773 ( -4.989 -0.000 12.174) 13.157 14.591 ( 2.576 0.000 8.046) 8.449 14.611 ( -4.892 -0.000 -10.820) 11.875 14.986 ( 9.109 0.000 5.225) 10.502 15.203 ( 7.726 0.000 -15.571) 17.382 15.537 ( 5.812 0.000 -12.160) 13.477 16.986 ( -12.421 -0.000 12.512) 17.630 17.482 ( -10.969 -0.000 8.691) 13.995 17.735 ( -7.627 -0.000 1.913) 7.863 17.768 ( -2.612 -0.000 21.806) 21.962 18.589 ( 13.450 0.000 -0.757) 13.472 18.841 ( 3.041 0.000 -25.615) 25.795 19.042 ( 7.199 0.000 -6.249) 9.533 19.733 ( 13.198 0.000 -23.891) 27.294 21.090 ( -2.467 -0.000 17.561) 17.733 21.573 ( -1.173 -0.000 -2.496) 2.758 ======================= Grid point 149 (49/84) ======================= q-point: ( 0.25 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 9.996 4.349 -1.039) 10.950 1.645 ( 7.906 -0.783 -3.174) 8.555 1.968 ( 18.811 -4.870 15.475) 24.841 2.166 ( 13.437 -3.876 13.216) 19.242 2.450 ( -14.799 -3.576 6.842) 16.692 2.477 ( -9.664 -8.478 3.764) 13.396 2.926 ( 5.458 -0.341 0.257) 5.474 3.129 ( 1.754 2.984 -11.310) 11.828 3.210 ( 7.366 1.714 8.246) 11.189 3.425 ( 2.404 -3.259 2.776) 4.910 3.571 ( -4.073 -0.737 6.656) 7.838 3.621 ( 5.368 0.860 8.515) 10.102 3.782 ( 0.498 -7.155 4.978) 8.731 4.274 ( -4.039 7.477 5.185) 9.955 4.332 ( -5.934 12.469 4.355) 14.479 4.556 ( -10.326 0.373 1.702) 10.472 4.786 ( -6.892 1.557 -2.412) 7.466 4.839 ( 7.473 -6.729 8.212) 12.983 5.047 ( 1.423 1.399 -18.166) 18.275 5.101 ( 6.390 1.242 11.928) 13.589 5.371 ( -4.528 7.670 11.376) 14.448 5.582 ( 2.526 -3.233 -6.037) 7.299 5.732 ( 2.642 -0.434 -5.013) 5.683 5.884 ( 4.106 -9.062 -2.438) 10.244 6.300 ( -8.648 0.420 -7.995) 11.785 6.809 ( -1.155 -0.278 -26.250) 26.277 7.478 ( 1.225 0.321 4.747) 4.913 7.806 ( 7.606 -3.642 4.727) 9.667 7.990 ( -3.080 -0.090 -0.543) 3.129 8.153 ( 5.865 -0.851 -12.765) 14.073 8.694 ( -13.206 -3.048 17.921) 22.469 8.939 ( -5.751 -0.143 19.766) 20.586 9.238 ( -6.759 1.225 -2.723) 7.389 9.382 ( 0.769 7.062 5.931) 9.255 9.494 ( 3.457 0.337 6.223) 7.127 9.793 ( -6.178 -1.494 1.778) 6.600 9.915 ( 6.745 2.117 -5.313) 8.843 10.058 ( 6.177 -5.564 -6.477) 10.538 10.229 ( 4.977 -1.217 -0.673) 5.168 10.310 ( 5.712 -4.399 -2.950) 7.790 10.644 ( -1.064 1.595 -5.988) 6.288 10.731 ( -2.484 0.249 5.519) 6.057 10.969 ( -4.964 -2.605 13.145) 14.290 11.084 ( 4.154 0.996 12.096) 12.828 11.802 ( 11.789 -0.177 -3.846) 12.402 12.096 ( 0.586 4.085 0.077) 4.127 12.338 ( -3.626 0.118 0.975) 3.757 12.448 ( -3.317 -1.513 -18.945) 19.293 12.532 ( -10.209 0.888 1.847) 10.413 12.605 ( -14.179 4.025 4.053) 15.287 13.728 ( -1.471 -1.448 6.592) 6.907 14.509 ( -2.089 3.039 -8.658) 9.410 14.626 ( -1.338 -1.040 5.331) 5.594 15.066 ( 5.154 6.811 4.971) 9.882 15.289 ( 2.694 0.961 -13.855) 14.147 15.647 ( 3.599 -5.840 -11.621) 13.495 16.794 ( -9.136 1.121 11.660) 14.855 17.322 ( -6.909 1.240 5.082) 8.666 17.589 ( -3.797 2.021 13.192) 13.876 17.818 ( -6.032 -11.920 12.089) 18.017 18.739 ( 10.284 9.763 -8.593) 16.581 18.856 ( 3.383 2.324 -16.946) 17.436 19.164 ( 5.399 -0.890 -8.598) 10.192 19.920 ( 6.520 -3.641 -20.038) 21.384 21.062 ( -0.802 0.047 18.051) 18.069 21.553 ( -1.106 0.101 -2.122) 2.395 ======================= Grid point 150 (50/84) ======================= q-point: ( 0.38 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( 3.110 8.111 -1.057) 8.751 1.720 ( 0.485 -0.356 -4.252) 4.294 2.273 ( 5.584 -7.736 8.362) 12.687 2.354 ( 1.117 -5.791 13.420) 14.659 2.403 ( 11.505 -4.117 8.653) 14.973 2.649 ( 10.886 -7.178 1.912) 13.179 2.930 ( 1.286 7.079 7.261) 10.222 3.176 ( 8.386 0.056 -11.561) 14.282 3.259 ( -2.923 3.138 -2.110) 4.780 3.297 ( -4.704 3.019 -4.575) 7.223 3.564 ( -0.103 -3.307 5.903) 6.767 3.721 ( -4.871 -8.070 4.261) 10.344 3.843 ( -3.944 4.153 8.059) 9.887 4.139 ( -0.895 8.256 0.683) 8.332 4.302 ( 9.863 -5.335 8.443) 14.037 4.402 ( -8.199 -2.807 4.627) 9.824 4.625 ( -11.084 -1.620 -0.039) 11.202 4.867 ( -4.143 9.792 7.466) 12.993 4.957 ( -4.229 5.892 -3.378) 8.001 5.179 ( 6.424 2.609 15.791) 17.246 5.277 ( -4.786 -2.799 7.882) 9.637 5.684 ( 8.806 3.076 -10.665) 14.169 5.826 ( 3.889 -7.525 -2.194) 8.750 6.035 ( 4.005 -3.370 -3.789) 6.462 6.156 ( -7.130 -0.863 -9.472) 11.887 6.807 ( 0.576 -0.060 -25.773) 25.780 7.475 ( -1.355 -0.262 6.647) 6.789 7.894 ( -0.025 0.720 3.223) 3.303 8.040 ( 3.692 -8.259 -0.741) 9.077 8.230 ( 2.152 -0.374 -13.759) 13.931 8.578 ( -6.982 -4.079 13.496) 15.733 8.876 ( -2.211 -1.602 19.064) 19.259 9.119 ( -3.240 5.068 1.430) 6.183 9.229 ( -5.245 4.064 5.017) 8.318 9.603 ( 9.230 6.035 2.514) 11.311 9.762 ( 0.204 -2.117 0.694) 2.237 9.952 ( 3.635 3.831 -7.295) 9.006 10.189 ( 4.560 1.973 -7.763) 9.217 10.372 ( 6.293 -5.293 3.289) 8.856 10.529 ( 9.868 -6.166 0.094) 11.637 10.608 ( -0.871 0.502 -5.104) 5.202 10.679 ( -3.412 -0.046 4.909) 5.978 10.907 ( -8.080 -6.652 13.908) 17.406 11.158 ( 6.047 0.217 15.211) 16.370 11.909 ( 1.893 7.664 3.479) 8.627 12.059 ( -0.681 -0.374 -9.295) 9.328 12.296 ( -7.369 0.112 5.290) 9.072 12.320 ( -3.391 2.648 -4.891) 6.514 12.366 ( -6.106 1.125 3.180) 6.975 12.470 ( 0.529 -1.192 -13.792) 13.854 13.743 ( 0.205 -2.061 2.805) 3.487 14.471 ( 0.131 0.857 -10.358) 10.394 14.586 ( -4.848 -1.099 6.236) 7.975 15.016 ( 0.417 8.227 4.415) 9.346 15.279 ( -2.019 0.866 -9.260) 9.517 15.765 ( 0.932 -6.605 -13.098) 14.699 16.676 ( -5.392 -1.585 11.861) 13.125 17.234 ( -3.064 0.026 4.220) 5.215 17.538 ( -2.783 -1.916 14.317) 14.710 17.849 ( -6.670 -12.015 8.316) 16.062 18.720 ( 8.074 16.212 -18.739) 26.060 18.903 ( 3.936 2.152 -6.458) 7.863 19.234 ( 3.006 0.577 -8.247) 8.797 20.025 ( 1.333 -3.242 -18.152) 18.487 21.059 ( 0.375 0.006 17.721) 17.725 21.538 ( -0.617 -0.103 -1.623) 1.739 ======================= Grid point 151 (51/84) ======================= q-point: (-0.50 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( -1.025 7.123 0.324) 7.203 1.670 ( -7.283 -0.310 -3.536) 8.102 2.309 ( -6.465 2.300 5.852) 9.018 2.514 ( 10.575 -1.455 6.932) 12.728 2.607 ( 1.655 2.024 8.877) 9.254 2.733 ( 6.172 3.552 9.212) 11.644 3.024 ( 13.633 3.179 0.574) 14.010 3.076 ( -8.578 2.848 -2.175) 9.296 3.269 ( 2.616 1.928 -0.634) 3.311 3.349 ( 9.803 -0.526 -10.032) 14.036 3.569 ( -9.165 -1.750 4.985) 10.579 3.697 ( -1.868 -5.028 5.214) 7.481 3.753 ( 0.699 -5.972 2.762) 6.617 4.131 ( 4.480 1.627 -3.248) 5.768 4.273 ( -8.589 5.806 6.026) 11.992 4.449 ( -9.228 -2.716 2.963) 10.065 4.538 ( -1.019 -9.522 4.911) 10.762 4.628 ( -6.839 4.026 8.955) 11.965 4.790 ( -8.220 0.913 5.640) 10.011 5.223 ( -5.091 -2.011 3.605) 6.554 5.327 ( 12.673 3.630 14.099) 19.302 5.745 ( 5.985 7.246 -9.494) 13.358 5.947 ( -3.650 -0.975 -1.112) 3.938 6.037 ( 2.349 -5.944 -3.913) 7.494 6.215 ( 7.127 -1.403 -8.486) 11.170 6.827 ( 1.942 0.215 -24.112) 24.191 7.445 ( -2.900 -0.883 7.891) 8.454 7.860 ( -2.804 0.260 2.226) 3.589 8.171 ( 1.164 -2.639 -7.273) 7.824 8.234 ( -1.148 0.970 -13.283) 13.368 8.552 ( -2.029 -6.261 14.441) 15.870 8.921 ( 2.687 -5.364 17.993) 18.967 9.017 ( 0.410 5.962 14.718) 15.885 9.191 ( 0.881 -3.081 -1.226) 3.431 9.669 ( 7.719 5.591 -0.966) 9.580 9.814 ( 4.264 0.810 1.769) 4.687 9.964 ( 3.478 4.650 -6.353) 8.607 10.204 ( 1.819 2.870 -6.864) 7.659 10.450 ( -0.824 1.890 2.903) 3.561 10.545 ( -4.455 0.925 -4.419) 6.343 10.638 ( -1.689 -1.938 2.716) 3.740 10.702 ( 5.375 4.256 -0.909) 6.916 10.858 ( -7.624 -6.701 14.779) 17.929 11.289 ( 8.344 0.308 15.868) 17.931 11.741 ( -7.292 4.980 9.358) 12.867 11.999 ( -7.540 0.574 -11.170) 13.489 12.217 ( -1.615 -4.703 0.503) 4.998 12.341 ( 5.199 -1.789 -0.031) 5.498 12.379 ( 3.327 -3.427 -1.347) 4.963 12.537 ( 5.767 -0.089 -13.521) 14.700 13.767 ( 0.193 -1.303 2.895) 3.181 14.455 ( -3.266 1.932 2.576) 4.587 14.538 ( -1.609 -4.883 -6.732) 8.471 14.923 ( -1.947 4.618 4.060) 6.450 15.221 ( -4.219 -0.308 -6.619) 7.855 15.801 ( -3.977 -3.226 -14.691) 15.558 16.654 ( -2.053 -4.918 12.377) 13.476 17.212 ( -0.768 -1.469 5.324) 5.576 17.536 ( -1.367 -3.607 13.725) 14.257 17.881 ( -7.257 -13.333 5.413) 16.117 18.671 ( 9.590 16.597 -19.279) 27.186 18.922 ( 2.888 4.344 -3.938) 6.536 19.250 ( 1.032 2.202 -9.604) 9.907 20.035 ( -3.058 -0.715 -18.098) 18.369 21.068 ( 0.801 0.292 17.449) 17.470 21.537 ( 0.004 -0.503 -1.379) 1.468 ======================= Grid point 152 (52/84) ======================= q-point: (-0.38 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( -7.094 5.079 1.460) 8.846 1.491 ( -14.004 0.059 -1.419) 14.076 2.056 ( -11.459 13.275 8.033) 19.289 2.284 ( -15.305 16.255 10.690) 24.753 2.690 ( 2.955 -2.771 -7.262) 8.316 2.879 ( -4.504 -0.814 -0.032) 4.577 2.975 ( 7.829 0.548 6.182) 9.991 3.115 ( 6.560 8.208 3.812) 11.177 3.365 ( 5.254 -1.666 3.089) 6.318 3.407 ( -0.162 -4.457 -1.357) 4.662 3.539 ( 2.945 -2.133 0.313) 3.650 3.769 ( -7.227 12.214 17.790) 22.757 3.877 ( 1.812 0.358 5.754) 6.043 3.934 ( 4.515 0.691 3.297) 5.633 4.184 ( 4.545 3.008 1.525) 5.660 4.437 ( -6.461 -13.977 -2.371) 15.580 4.566 ( -1.953 -8.575 -2.532) 9.152 4.641 ( -4.596 -12.200 6.759) 14.685 4.749 ( -1.487 -7.059 9.773) 12.147 5.162 ( -2.102 1.009 -1.822) 2.959 5.380 ( 3.390 9.853 5.580) 11.819 5.727 ( -0.619 6.355 -3.627) 7.343 5.896 ( 1.303 2.343 -3.580) 4.473 6.155 ( 4.943 -0.231 -1.169) 5.085 6.340 ( 5.715 -1.554 -5.485) 8.073 6.868 ( 3.409 0.258 -23.323) 23.572 7.402 ( -3.604 -0.859 8.097) 8.904 7.814 ( -2.148 0.025 2.036) 2.960 8.122 ( -4.291 6.431 -6.243) 9.938 8.143 ( -4.355 3.291 -13.496) 14.558 8.676 ( 3.248 -9.982 15.465) 18.691 9.020 ( 4.531 0.332 19.530) 20.052 9.084 ( 5.924 -9.389 13.734) 17.661 9.300 ( 4.399 -6.887 1.224) 8.264 9.711 ( 6.745 8.432 -0.039) 10.798 9.894 ( 5.481 -1.652 0.487) 5.745 9.942 ( 0.983 5.947 -2.621) 6.573 10.204 ( 1.748 2.032 -5.334) 5.970 10.325 ( -7.319 5.883 -1.588) 9.523 10.422 ( -4.753 6.552 -8.225) 11.541 10.628 ( -0.991 3.722 -4.703) 6.079 10.653 ( -5.237 -0.806 -1.457) 5.496 10.846 ( 2.051 -1.566 18.859) 19.035 11.348 ( 5.234 8.381 15.904) 18.724 11.656 ( -4.030 -4.525 9.542) 11.303 11.858 ( -8.280 -0.171 -5.893) 10.165 12.301 ( 2.562 -6.268 -3.376) 7.567 12.482 ( 3.331 -7.113 -1.477) 7.992 12.545 ( 8.429 -9.283 -1.022) 12.581 12.632 ( 6.342 1.856 -13.878) 15.371 13.784 ( 0.587 -0.887 7.009) 7.089 14.350 ( -6.282 -0.136 9.365) 11.278 14.628 ( 3.745 -5.357 -11.581) 13.298 14.857 ( -1.512 2.199 4.695) 5.400 15.159 ( -4.155 -1.429 -8.670) 9.720 15.705 ( -9.258 0.648 -15.109) 17.732 16.723 ( 1.048 -8.657 12.978) 15.636 17.242 ( 0.797 -3.646 8.702) 9.469 17.574 ( 0.183 -4.553 11.502) 12.372 17.911 ( -8.999 -14.512 3.599) 17.451 18.656 ( 10.820 15.525 -20.941) 28.224 18.895 ( 1.333 6.708 2.288) 7.212 19.229 ( 1.728 4.338 -14.861) 15.578 19.932 ( -8.159 3.027 -19.069) 20.961 21.079 ( 1.047 0.277 17.435) 17.468 21.549 ( 0.487 -0.922 -1.583) 1.896 ======================= Grid point 153 (53/84) ======================= q-point: (-0.25 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( -9.477 3.757 2.240) 10.438 1.254 ( -12.724 0.569 0.307) 12.740 1.688 ( -9.871 16.915 14.774) 24.532 1.831 ( -15.179 15.036 14.843) 26.015 2.706 ( -6.591 1.176 -10.867) 12.764 2.765 ( -1.722 -4.692 -14.793) 15.615 3.071 ( -0.425 16.152 24.797) 29.597 3.112 ( 6.007 3.406 14.078) 15.680 3.311 ( -4.067 21.815 20.789) 30.408 3.431 ( -5.005 -14.437 2.007) 15.411 3.524 ( 9.017 4.509 1.002) 10.131 3.616 ( 1.480 -5.382 -3.382) 6.526 3.988 ( 3.716 -1.348 9.157) 9.974 4.079 ( 4.894 1.581 -5.040) 7.201 4.261 ( 3.493 -7.166 6.147) 10.067 4.494 ( -4.918 -11.326 -3.263) 12.771 4.680 ( -6.201 -21.292 -4.160) 22.563 4.762 ( 4.105 -8.168 9.510) 13.191 4.831 ( 0.428 -7.008 3.180) 7.708 5.169 ( 8.082 4.711 -4.362) 10.322 5.318 ( 4.255 8.506 0.111) 9.512 5.569 ( -9.428 5.302 -3.231) 11.289 5.853 ( -1.136 8.121 -1.149) 8.280 6.187 ( 4.035 7.684 1.063) 8.744 6.435 ( 2.485 -3.222 -4.124) 5.794 6.924 ( 3.476 0.482 -24.174) 24.427 7.347 ( -3.473 0.082 8.313) 9.010 7.759 ( -2.424 6.354 1.955) 7.076 7.987 ( -1.866 1.948 -5.822) 6.417 8.044 ( -3.464 2.809 -10.716) 11.607 8.820 ( 1.281 -7.794 19.378) 20.926 9.103 ( 4.681 1.133 18.543) 19.159 9.319 ( 5.295 -13.243 8.219) 16.461 9.462 ( 3.324 -9.165 4.639) 10.796 9.731 ( 7.939 6.138 -0.307) 10.039 9.859 ( -2.984 3.884 1.283) 5.063 10.027 ( 7.848 -0.782 0.992) 7.949 10.109 ( -6.855 7.256 -2.946) 10.408 10.212 ( -0.226 3.338 -3.473) 4.823 10.258 ( -1.004 12.326 -8.542) 15.030 10.552 ( -3.163 -2.077 -9.578) 10.298 10.603 ( -6.209 -5.231 -6.156) 10.189 10.969 ( 11.798 1.372 15.563) 19.577 11.293 ( -0.829 7.705 13.336) 15.424 11.618 ( -2.276 4.558 -2.190) 5.545 11.783 ( -6.684 -10.890 10.418) 16.487 12.410 ( 2.568 -3.700 -7.092) 8.401 12.610 ( 4.099 -0.795 -8.289) 9.282 12.688 ( 1.683 -6.387 -7.501) 9.995 12.812 ( 6.534 -11.253 -0.767) 13.035 13.806 ( -0.178 -1.897 13.130) 13.268 14.298 ( -1.187 -3.128 13.113) 13.533 14.737 ( 0.375 -3.807 -5.396) 6.614 14.807 ( -0.805 2.593 -0.959) 2.880 15.141 ( 1.993 0.239 -12.222) 12.386 15.500 ( -12.566 2.383 -14.570) 19.387 16.889 ( 3.634 -12.990 13.903) 19.371 17.322 ( 1.240 -7.032 14.669) 16.315 17.658 ( 3.974 -5.228 8.326) 10.604 17.915 ( -11.291 -14.862 1.686) 18.741 18.644 ( 8.604 15.691 -23.576) 29.598 18.804 ( -1.113 8.814 7.544) 11.655 19.234 ( 7.569 7.440 -19.057) 21.813 19.685 ( -14.547 7.760 -20.644) 26.420 21.099 ( 1.169 -0.703 17.213) 17.267 21.571 ( 0.538 -1.105 -2.059) 2.398 ======================= Grid point 154 (54/84) ======================= q-point: (-0.12 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( -0.000 5.589 4.501) 7.176 1.132 ( 0.000 -0.075 0.954) 0.957 1.428 ( -0.000 11.606 25.220) 27.762 1.529 ( -0.000 11.326 20.816) 23.698 2.624 ( -0.000 1.248 -12.303) 12.366 2.681 ( -0.000 24.041 39.741) 46.447 2.873 ( 0.000 -3.122 -11.244) 11.669 3.136 ( -0.000 0.799 18.934) 18.951 3.147 ( -0.000 12.873 8.669) 15.520 3.554 ( 0.000 -13.271 1.272) 13.332 3.559 ( -0.000 2.591 -1.324) 2.910 3.706 ( 0.000 -7.537 -2.999) 8.112 4.013 ( -0.000 0.095 11.996) 11.997 4.064 ( -0.000 6.110 -3.287) 6.939 4.404 ( 0.000 -10.049 2.889) 10.456 4.557 ( 0.000 -7.983 -1.869) 8.198 4.803 ( 0.000 -6.708 -11.011) 12.894 4.905 ( 0.000 -5.411 17.358) 18.182 4.938 ( 0.000 -15.962 -9.556) 18.604 5.285 ( -0.000 6.690 -1.825) 6.934 5.319 ( -0.000 2.909 -4.284) 5.179 5.331 ( -0.000 2.673 3.269) 4.223 5.707 ( -0.000 10.613 -0.192) 10.615 6.108 ( -0.000 11.701 4.508) 12.539 6.492 ( 0.000 -2.658 -5.899) 6.470 6.954 ( -0.000 0.056 -25.670) 25.670 7.305 ( -0.000 0.800 8.890) 8.926 7.617 ( -0.000 10.727 4.342) 11.573 7.961 ( -0.000 3.252 -10.756) 11.237 8.026 ( 0.000 -4.719 -6.848) 8.317 8.913 ( 0.000 -7.626 19.501) 20.939 9.111 ( -0.000 3.252 18.777) 19.056 9.501 ( 0.000 -8.211 2.845) 8.689 9.600 ( 0.000 -8.024 3.321) 8.684 9.773 ( -0.000 1.825 4.370) 4.736 9.856 ( 0.000 -1.924 -3.644) 4.120 9.916 ( -0.000 7.622 4.057) 8.634 10.065 ( -0.000 15.494 -6.909) 16.965 10.130 ( -0.000 1.432 3.803) 4.064 10.192 ( 0.000 -2.371 -4.253) 4.870 10.576 ( 0.000 -2.963 -16.289) 16.556 10.607 ( 0.000 -7.795 -6.220) 9.972 11.135 ( -0.000 7.313 13.532) 15.382 11.140 ( 0.000 -0.039 7.427) 7.428 11.515 ( -0.000 7.613 -4.950) 9.081 11.887 ( 0.000 -15.142 14.244) 20.788 12.455 ( 0.000 -1.149 -9.237) 9.308 12.589 ( -0.000 5.730 -19.377) 20.206 12.861 ( 0.000 -13.584 2.638) 13.838 12.989 ( 0.000 -8.822 -1.148) 8.896 13.829 ( 0.000 -3.852 17.439) 17.860 14.371 ( 0.000 -7.382 14.780) 16.521 14.680 ( -0.000 4.536 6.683) 8.077 14.807 ( -0.000 0.912 -14.053) 14.082 15.175 ( -0.000 4.633 -9.210) 10.309 15.332 ( -0.000 0.047 -15.291) 15.291 17.100 ( 0.000 -14.481 15.154) 20.960 17.439 ( 0.000 -12.339 17.375) 21.310 17.797 ( 0.000 -0.908 19.421) 19.442 17.942 ( 0.000 -18.681 -12.258) 22.344 18.531 ( -0.000 19.540 -24.045) 30.984 18.686 ( -0.000 7.753 8.297) 11.355 19.241 ( -0.000 18.655 -9.449) 20.912 19.378 ( -0.000 3.138 -30.103) 30.266 21.128 ( 0.000 -1.913 16.289) 16.401 21.587 ( 0.000 -0.833 -2.472) 2.608 ======================= Grid point 157 (55/84) ======================= q-point: ( 0.25 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( -0.322 -0.000 -4.492) 4.503 1.715 ( 4.893 0.000 -5.798) 7.587 2.151 ( 6.399 0.000 7.202) 9.634 2.292 ( 2.645 0.000 12.790) 13.060 2.415 ( 15.239 0.000 7.423) 16.951 2.452 ( 13.725 0.000 5.208) 14.680 3.038 ( 8.869 0.000 4.448) 9.921 3.191 ( 2.424 0.000 -11.612) 11.862 3.281 ( 0.968 0.000 -0.707) 1.199 3.362 ( -6.705 -0.000 0.664) 6.738 3.550 ( 1.689 0.000 3.075) 3.508 3.557 ( -5.895 -0.000 3.906) 7.072 3.947 ( 10.973 0.000 15.284) 18.815 4.159 ( -12.031 -0.000 4.064) 12.699 4.297 ( -4.426 -0.000 4.082) 6.021 4.359 ( -12.406 -0.000 1.429) 12.488 4.579 ( -13.458 -0.000 3.722) 13.963 5.035 ( -4.870 -0.000 -14.630) 15.420 5.065 ( 13.575 0.000 10.004) 16.863 5.200 ( 0.198 0.000 11.958) 11.960 5.245 ( -2.021 -0.000 14.463) 14.603 5.588 ( -1.771 -0.000 -0.920) 1.996 5.895 ( 12.662 0.000 -13.014) 18.158 5.911 ( 5.715 0.000 -3.342) 6.620 6.143 ( -9.721 -0.000 -8.244) 12.746 6.806 ( 0.786 0.000 -26.302) 26.313 7.471 ( -1.857 -0.000 6.393) 6.657 7.910 ( 7.246 0.000 3.576) 8.080 7.922 ( -4.219 -0.000 2.713) 5.016 8.222 ( 2.501 0.000 -12.122) 12.377 8.515 ( -5.689 -0.000 14.778) 15.835 8.865 ( -2.745 -0.000 19.061) 19.258 9.150 ( -4.316 -0.000 -3.607) 5.625 9.327 ( -7.471 -0.000 6.273) 9.755 9.678 ( 0.812 0.000 -3.305) 3.404 9.738 ( 10.498 0.000 -1.837) 10.657 10.099 ( 7.322 0.000 -3.310) 8.035 10.101 ( 8.232 0.000 -1.915) 8.452 10.328 ( 2.400 0.000 0.000) 2.400 10.415 ( 16.734 0.000 -0.782) 16.752 10.621 ( -2.392 -0.000 -5.331) 5.843 10.677 ( -4.388 -0.000 7.481) 8.673 10.825 ( -8.730 -0.000 13.548) 16.117 11.163 ( 3.742 0.000 16.089) 16.519 11.984 ( 8.400 0.000 -9.680) 12.816 12.097 ( -4.631 -0.000 -0.095) 4.632 12.267 ( -6.298 -0.000 5.824) 8.578 12.371 ( -5.493 -0.000 -4.691) 7.223 12.375 ( -7.595 -0.000 -2.441) 7.977 12.459 ( -2.920 -0.000 -4.187) 5.105 13.714 ( 0.595 0.000 2.752) 2.816 14.472 ( -2.420 -0.000 -12.457) 12.690 14.582 ( -4.555 -0.000 8.608) 9.739 15.171 ( 1.292 0.000 4.802) 4.973 15.273 ( -4.622 -0.000 -14.785) 15.491 15.651 ( 1.685 0.000 -10.407) 10.543 16.655 ( -7.825 -0.000 11.373) 13.805 17.234 ( -4.070 -0.000 3.563) 5.409 17.489 ( -6.598 -0.000 4.597) 8.042 17.729 ( -0.426 -0.000 21.917) 21.921 18.909 ( 1.653 0.000 -29.766) 29.812 18.939 ( 7.776 0.000 1.951) 8.017 19.259 ( 5.341 0.000 -9.500) 10.899 19.969 ( 2.437 0.000 -16.524) 16.702 21.059 ( 0.482 0.000 17.813) 17.820 21.537 ( -0.859 -0.000 -1.637) 1.849 ======================= Grid point 158 (56/84) ======================= q-point: ( 0.38 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( -7.487 0.538 -3.444) 8.259 1.712 ( -1.869 4.693 -6.491) 8.225 2.287 ( 7.606 -2.548 2.409) 8.375 2.453 ( 12.216 -2.192 8.753) 15.187 2.595 ( 9.226 3.131 5.647) 11.261 2.750 ( 8.520 -7.079 6.042) 12.618 3.114 ( 5.438 8.452 5.464) 11.439 3.213 ( -5.034 4.574 0.714) 6.839 3.296 ( 2.848 -0.710 -6.906) 7.504 3.337 ( 13.118 -1.669 -4.488) 13.964 3.476 ( -6.928 -3.204 4.239) 8.731 3.622 ( -0.338 -2.762 7.263) 7.778 3.813 ( -6.122 9.988 1.359) 11.794 4.054 ( -10.711 -7.875 -3.167) 13.666 4.227 ( -10.137 -6.116 4.641) 12.716 4.250 ( -2.460 -4.085 6.406) 7.986 4.427 ( -5.460 -2.313 6.051) 8.472 4.847 ( -10.170 7.726 -4.944) 13.695 5.101 ( -3.568 0.019 11.254) 11.806 5.125 ( -1.845 14.531 10.177) 17.836 5.393 ( 15.853 1.836 13.709) 21.038 5.686 ( 2.630 -16.403 2.099) 16.745 5.920 ( -1.171 4.827 -7.545) 9.033 5.980 ( -3.754 0.003 -5.873) 6.970 6.175 ( 11.903 -2.181 -11.230) 16.509 6.828 ( 1.685 -0.062 -23.930) 23.989 7.430 ( -3.108 -0.364 8.603) 9.154 7.861 ( -3.042 -0.137 3.111) 4.353 8.045 ( 5.268 -4.655 0.225) 7.033 8.235 ( -0.860 -0.380 -11.615) 11.653 8.471 ( -2.125 -1.349 11.888) 12.151 8.860 ( 1.960 -0.699 18.590) 18.706 9.106 ( -1.314 -0.667 -2.353) 2.776 9.202 ( -3.579 4.396 8.859) 10.517 9.677 ( 1.104 -1.810 -5.550) 5.941 9.890 ( 7.020 2.817 -6.985) 10.296 10.120 ( 6.382 8.269 -1.933) 10.623 10.245 ( 0.546 -0.286 -4.348) 4.391 10.431 ( 7.304 -3.587 5.043) 9.573 10.552 ( -6.006 0.944 -1.717) 6.318 10.598 ( -2.943 -1.509 0.266) 3.318 10.707 ( -3.913 -4.407 20.546) 21.375 10.763 ( 16.893 0.836 -3.669) 17.307 11.235 ( 5.128 -2.055 20.142) 20.886 11.923 ( -10.434 6.215 5.830) 13.472 12.012 ( -4.292 2.036 -12.382) 13.262 12.132 ( -8.390 -3.784 2.195) 9.462 12.323 ( -0.006 0.061 -2.867) 2.868 12.333 ( -0.385 -0.853 -1.613) 1.865 12.518 ( 7.609 -0.981 -6.275) 9.911 13.736 ( 1.047 -0.925 1.249) 1.874 14.453 ( -2.117 -1.984 -9.666) 10.092 14.485 ( -5.215 0.411 5.582) 7.650 15.080 ( -4.008 7.774 -1.384) 8.855 15.208 ( -5.187 -2.107 -7.468) 9.333 15.682 ( -2.431 -4.860 -12.034) 13.204 16.558 ( -5.338 -2.504 12.206) 13.556 17.192 ( -1.538 -0.485 2.201) 2.729 17.417 ( -5.217 -4.023 5.706) 8.716 17.734 ( -0.544 -1.718 19.506) 19.589 18.911 ( 2.254 4.309 -29.281) 29.682 19.027 ( 5.396 3.138 3.726) 7.269 19.317 ( 3.981 2.992 -12.854) 13.785 19.998 ( -0.513 -1.624 -14.968) 15.064 21.073 ( 1.119 0.125 17.319) 17.355 21.527 ( -0.405 -0.241 -1.069) 1.168 ======================= Grid point 159 (57/84) ======================= q-point: (-0.50 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( -14.350 -0.629 -0.965) 14.396 1.562 ( -7.617 7.021 -4.989) 11.498 2.343 ( 1.865 10.830 2.058) 11.181 2.575 ( -6.267 2.022 7.225) 9.776 2.653 ( 2.547 -0.113 -3.164) 4.064 2.803 ( -1.456 0.790 8.254) 8.419 3.037 ( 1.117 5.178 7.977) 9.576 3.208 ( 0.137 0.457 2.962) 3.000 3.283 ( -14.516 0.213 3.096) 14.844 3.380 ( 9.764 -0.952 -9.057) 13.352 3.555 ( -0.581 -5.651 4.856) 7.474 3.646 ( 16.264 -1.329 2.253) 16.473 3.850 ( 6.512 0.555 1.479) 6.701 4.055 ( -5.046 -13.498 -2.028) 14.553 4.138 ( -4.780 -2.482 -2.434) 5.911 4.249 ( -5.557 -4.754 7.143) 10.223 4.447 ( 0.648 -6.572 3.871) 7.655 4.595 ( -8.683 6.777 -3.471) 11.548 4.812 ( -2.729 22.454 18.622) 29.298 5.108 ( -0.984 -5.184 7.207) 8.932 5.569 ( 5.714 6.585 7.171) 11.289 5.855 ( 0.921 -4.520 1.075) 4.737 5.913 ( 0.439 6.792 -6.306) 9.279 5.950 ( 2.455 -14.178 -0.292) 14.392 6.361 ( 9.194 1.071 -9.120) 12.994 6.862 ( 2.133 -0.631 -20.695) 20.814 7.384 ( -2.984 -0.582 10.147) 10.593 7.819 ( -1.809 0.512 0.965) 2.114 8.148 ( -0.155 -2.942 -7.107) 7.694 8.209 ( -2.702 0.426 -12.708) 12.999 8.477 ( 0.586 -4.732 15.457) 16.176 8.940 ( 4.808 -2.048 18.970) 19.677 9.114 ( 3.658 3.565 9.919) 11.157 9.161 ( 1.234 -3.007 3.599) 4.850 9.753 ( 3.807 -3.217 -6.119) 7.892 9.917 ( 1.690 3.632 -3.004) 5.007 10.081 ( -3.466 4.716 -0.945) 5.928 10.239 ( 1.471 1.028 -5.433) 5.722 10.381 ( -9.342 -0.959 0.875) 9.431 10.499 ( -2.626 1.985 -5.679) 6.564 10.597 ( -0.240 1.509 1.332) 2.027 10.748 ( 5.409 -1.870 16.158) 17.142 10.959 ( 12.050 10.150 1.172) 15.799 11.390 ( 6.622 -4.741 20.030) 21.623 11.672 ( -8.756 7.568 9.918) 15.242 11.890 ( -6.445 1.113 -8.654) 10.848 12.119 ( -1.130 -7.585 -1.694) 7.853 12.334 ( -2.148 -5.129 -3.213) 6.422 12.378 ( 2.275 -4.930 -2.833) 6.124 12.665 ( 8.504 0.668 -7.856) 11.597 13.763 ( 1.054 -0.721 3.183) 3.430 14.356 ( -6.417 0.771 6.733) 9.333 14.513 ( 1.653 -4.817 -10.457) 11.631 14.945 ( -2.062 5.381 -0.548) 5.788 15.142 ( -3.852 -0.560 -7.829) 8.744 15.653 ( -8.147 -4.333 -14.139) 16.884 16.540 ( -3.078 -6.237 13.033) 14.773 17.192 ( 0.277 -1.366 3.501) 3.768 17.400 ( -5.049 -7.078 3.969) 9.558 17.747 ( -0.726 -2.278 17.911) 18.070 18.895 ( 3.154 5.864 -28.527) 29.294 19.051 ( 3.509 5.340 6.701) 9.259 19.336 ( 4.356 4.592 -17.103) 18.237 19.973 ( -3.633 0.777 -15.093) 15.544 21.089 ( 1.098 0.427 17.015) 17.056 21.530 ( 0.028 -0.685 -0.811) 1.062 ======================= Grid point 160 (58/84) ======================= q-point: (-0.38 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( -13.796 -1.041 1.279) 13.894 1.334 ( -8.979 6.487 -2.955) 11.465 2.128 ( -3.091 20.330 4.617) 21.076 2.247 ( -12.799 17.787 8.434) 23.480 2.663 ( -0.990 -1.118 -10.775) 10.878 2.743 ( -7.340 -0.576 -1.548) 7.523 3.037 ( -2.502 -6.712 2.096) 7.463 3.152 ( 1.405 -1.628 12.589) 12.772 3.279 ( 2.036 -2.646 11.714) 12.180 3.503 ( 2.660 -2.346 -5.632) 6.656 3.686 ( 7.035 4.111 6.630) 10.505 3.845 ( 4.994 0.451 4.334) 6.628 3.891 ( 1.254 0.243 4.203) 4.393 4.069 ( -2.420 5.246 7.821) 9.723 4.158 ( -2.087 -13.530 -0.665) 13.706 4.210 ( -1.013 -5.599 -3.103) 6.481 4.405 ( -4.688 4.656 -2.530) 7.075 4.573 ( 1.248 -8.189 4.208) 9.291 4.666 ( 1.330 0.151 16.724) 16.778 5.213 ( 8.343 -1.738 1.952) 8.743 5.489 ( -1.853 5.756 -1.318) 6.189 5.756 ( -5.964 10.128 -7.356) 13.866 5.954 ( 3.217 -0.146 3.691) 4.899 6.151 ( 2.749 -10.074 2.173) 10.666 6.445 ( 4.346 3.443 -5.955) 8.136 6.914 ( 2.398 -1.532 -20.081) 20.282 7.347 ( -2.102 -0.139 10.733) 10.938 7.798 ( -0.054 0.383 -0.568) 0.687 8.112 ( -3.412 3.555 -7.829) 9.250 8.118 ( -3.333 3.632 -12.420) 13.362 8.611 ( 2.757 -10.531 14.517) 18.145 9.034 ( 2.681 -4.147 21.274) 21.840 9.183 ( 8.051 2.100 13.780) 16.097 9.267 ( 2.581 -7.465 3.520) 8.647 9.810 ( -1.441 0.387 -1.115) 1.863 9.898 ( -3.094 1.282 0.091) 3.351 9.973 ( -0.321 -3.208 -1.425) 3.525 10.224 ( -4.345 0.303 -1.272) 4.538 10.323 ( 2.950 1.361 -3.921) 5.092 10.388 ( -4.288 4.964 -10.444) 12.333 10.531 ( -4.320 1.935 -3.395) 5.825 10.808 ( 5.029 15.651 -3.405) 16.788 11.014 ( 12.184 4.798 15.537) 20.319 11.474 ( -9.600 1.649 12.920) 16.180 11.508 ( 3.017 -1.624 19.652) 19.949 11.776 ( -4.155 3.491 -7.107) 8.942 12.252 ( 3.262 -10.140 -3.010) 11.069 12.379 ( -3.105 -10.030 -1.584) 10.618 12.528 ( 4.041 -11.309 -2.950) 12.367 12.750 ( 4.088 3.162 -11.632) 12.729 13.785 ( 0.754 -0.232 7.686) 7.727 14.263 ( -3.622 -0.024 9.795) 10.443 14.620 ( 3.060 -6.317 -11.619) 13.574 14.873 ( -2.361 2.933 3.965) 5.468 15.141 ( 4.810 0.167 -13.175) 14.027 15.512 ( -12.790 -1.456 -15.023) 19.784 16.603 ( -0.978 -10.544 13.605) 17.241 17.233 ( 2.144 -2.027 10.138) 10.558 17.414 ( -5.307 -10.756 -3.185) 12.409 17.761 ( -0.775 -2.141 17.886) 18.030 18.878 ( 3.035 6.243 -28.672) 29.501 19.012 ( 0.588 7.545 10.125) 12.641 19.376 ( 7.332 4.531 -22.550) 24.141 19.847 ( -7.129 6.140 -14.820) 17.554 21.099 ( 0.733 0.437 16.981) 17.002 21.543 ( 0.222 -1.150 -1.036) 1.564 ======================= Grid point 161 (59/84) ======================= q-point: (-0.25 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 0.000 -0.580 1.700) 1.796 1.179 ( -0.000 5.355 -0.887) 5.428 1.842 ( -0.000 22.674 9.437) 24.559 1.900 ( -0.000 19.145 12.805) 23.033 2.659 ( -0.000 1.537 -8.251) 8.393 2.685 ( 0.000 -4.878 -16.206) 16.924 3.147 ( 0.000 -5.770 9.476) 11.095 3.192 ( 0.000 -9.779 11.083) 14.780 3.288 ( -0.000 8.217 12.737) 15.157 3.509 ( -0.000 22.761 28.429) 36.418 3.560 ( 0.000 -4.706 -5.904) 7.550 3.734 ( -0.000 14.498 0.091) 14.499 4.031 ( -0.000 0.575 9.698) 9.715 4.069 ( 0.000 -10.626 -4.361) 11.486 4.260 ( 0.000 -1.538 0.947) 1.806 4.336 ( 0.000 -6.184 0.069) 6.184 4.358 ( 0.000 -21.055 -3.336) 21.317 4.688 ( 0.000 -9.366 8.585) 12.705 4.742 ( 0.000 -8.245 8.424) 11.788 5.343 ( 0.000 -0.960 -1.834) 2.071 5.428 ( -0.000 4.569 -2.742) 5.329 5.528 ( -0.000 12.820 -8.460) 15.360 5.933 ( -0.000 6.594 2.645) 7.105 6.256 ( 0.000 -2.854 1.013) 3.028 6.442 ( -0.000 1.775 -2.956) 3.448 6.954 ( 0.000 -0.844 -22.556) 22.572 7.324 ( -0.000 0.614 10.591) 10.609 7.794 ( -0.000 1.618 -0.396) 1.666 8.011 ( -0.000 5.491 -5.994) 8.129 8.049 ( -0.000 3.875 -11.683) 12.309 8.747 ( 0.000 -8.139 16.971) 18.822 9.132 ( 0.000 -6.407 19.003) 20.054 9.256 ( 0.000 -2.514 15.608) 15.809 9.385 ( 0.000 -8.978 2.321) 9.273 9.790 ( 0.000 -3.168 0.297) 3.182 9.836 ( -0.000 2.995 1.989) 3.595 10.072 ( 0.000 -5.146 -5.005) 7.178 10.164 ( -0.000 1.218 0.626) 1.370 10.218 ( -0.000 12.169 -2.197) 12.366 10.423 ( -0.000 7.629 -12.651) 14.773 10.430 ( 0.000 -6.532 -5.789) 8.728 10.631 ( -0.000 14.881 -7.629) 16.722 11.163 ( -0.000 2.068 10.261) 10.467 11.305 ( -0.000 5.032 16.843) 17.579 11.580 ( 0.000 -8.839 20.054) 21.916 11.682 ( -0.000 6.121 -6.544) 8.961 12.384 ( 0.000 -5.328 -8.431) 9.974 12.500 ( 0.000 -16.168 3.932) 16.639 12.718 ( 0.000 -13.334 -2.531) 13.572 12.727 ( -0.000 5.479 -15.232) 16.187 13.790 ( 0.000 -0.099 11.736) 11.737 14.254 ( 0.000 -2.969 13.989) 14.301 14.735 ( 0.000 -6.049 -15.009) 16.182 14.792 ( -0.000 4.439 6.065) 7.516 15.273 ( -0.000 3.011 -9.794) 10.247 15.312 ( 0.000 -1.470 -18.235) 18.294 16.745 ( 0.000 -14.454 13.909) 20.060 17.283 ( 0.000 -2.792 17.790) 18.008 17.517 ( 0.000 -16.045 -11.355) 19.656 17.771 ( 0.000 -1.303 18.927) 18.972 18.830 ( -0.000 7.974 -29.703) 30.755 18.910 ( -0.000 9.636 11.227) 14.795 19.442 ( -0.000 1.889 -28.332) 28.395 19.626 ( -0.000 14.047 -10.944) 17.807 21.103 ( 0.000 -0.153 17.050) 17.051 21.560 ( 0.000 -1.363 -1.567) 2.077 ======================= Grid point 166 (60/84) ======================= q-point: ( 0.38 -0.62 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( -15.143 -0.000 -0.606) 15.155 1.662 ( -8.136 -0.000 -8.778) 11.969 2.423 ( 5.851 0.000 5.386) 7.953 2.614 ( 7.958 0.000 3.854) 8.842 2.653 ( -2.499 -0.000 1.814) 3.088 2.838 ( 6.213 0.000 9.322) 11.203 3.110 ( -5.408 -0.000 4.492) 7.030 3.187 ( -2.526 -0.000 1.700) 3.045 3.359 ( -5.911 -0.000 4.868) 7.658 3.364 ( -0.912 -0.000 -15.634) 15.660 3.457 ( -10.631 -0.000 8.437) 13.572 3.631 ( 15.482 0.000 -0.827) 15.505 3.864 ( -5.840 -0.000 5.773) 8.212 3.868 ( 2.721 0.000 -0.126) 2.724 4.072 ( 5.532 0.000 2.297) 5.990 4.209 ( -1.569 -0.000 0.928) 1.823 4.316 ( -5.382 -0.000 2.809) 6.071 4.726 ( -10.691 -0.000 -11.121) 15.427 5.005 ( 1.377 0.000 16.878) 16.934 5.347 ( 2.124 0.000 14.690) 14.843 5.502 ( -2.021 -0.000 5.150) 5.532 5.711 ( 17.489 0.000 11.280) 20.811 5.773 ( -10.495 -0.000 -4.895) 11.580 6.022 ( 0.720 0.000 -4.246) 4.307 6.366 ( 10.701 0.000 -12.984) 16.825 6.852 ( 1.205 0.000 -19.522) 19.559 7.377 ( -2.767 -0.000 10.728) 11.079 7.827 ( -0.837 -0.000 1.336) 1.577 8.083 ( 2.257 0.000 -2.237) 3.178 8.207 ( -1.953 -0.000 -11.229) 11.398 8.442 ( -1.311 -0.000 11.613) 11.686 8.922 ( 5.823 0.000 18.087) 19.001 9.079 ( -0.769 -0.000 -1.669) 1.838 9.221 ( 2.879 0.000 11.745) 12.093 9.696 ( 2.593 0.000 -6.138) 6.663 9.971 ( 1.612 0.000 -8.099) 8.258 10.136 ( -9.977 -0.000 0.309) 9.982 10.251 ( 0.881 0.000 -5.198) 5.272 10.360 ( -12.955 -0.000 1.522) 13.044 10.510 ( -1.265 -0.000 -4.853) 5.015 10.654 ( 11.911 0.000 5.082) 12.950 10.704 ( 5.410 0.000 17.619) 18.431 11.079 ( 15.079 0.000 0.249) 15.081 11.322 ( 9.208 0.000 20.670) 22.628 11.810 ( -6.645 -0.000 3.442) 7.484 11.901 ( -10.491 -0.000 5.793) 11.984 12.003 ( -3.588 -0.000 -10.686) 11.272 12.283 ( -4.424 -0.000 -3.798) 5.831 12.307 ( -1.603 -0.000 -2.115) 2.654 12.670 ( 9.777 0.000 -4.690) 10.844 13.754 ( 1.730 0.000 1.560) 2.330 14.407 ( -2.864 -0.000 -8.614) 9.078 14.409 ( -2.759 -0.000 3.937) 4.808 15.061 ( -6.933 -0.000 4.823) 8.446 15.103 ( -1.196 -0.000 -16.752) 16.795 15.582 ( -6.434 -0.000 -12.725) 14.259 16.465 ( -3.924 -0.000 13.257) 13.825 17.171 ( -0.649 -0.000 -2.662) 2.740 17.322 ( -3.632 -0.000 9.005) 9.710 17.726 ( 0.113 0.000 19.375) 19.376 18.960 ( 1.433 0.000 -30.438) 30.472 19.111 ( 2.911 0.000 9.170) 9.621 19.399 ( 3.462 0.000 -20.207) 20.501 19.980 ( -0.799 -0.000 -12.791) 12.816 21.094 ( 1.222 0.000 16.857) 16.901 21.521 ( -0.135 -0.000 -0.475) 0.494 ======================= Grid point 168 (61/84) ======================= q-point: (-0.50 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( -14.532 -0.999 2.444) 14.770 1.475 ( -9.818 4.271 -7.887) 13.298 2.388 ( -9.992 -3.530 11.342) 15.522 2.577 ( 5.090 15.292 -0.100) 16.118 2.711 ( 1.135 3.821 -0.384) 4.004 2.814 ( -2.909 7.010 4.369) 8.757 3.062 ( -6.436 -0.986 3.243) 7.274 3.099 ( -2.977 3.473 5.266) 6.975 3.191 ( -1.015 -1.523 5.064) 5.384 3.392 ( -1.611 -16.484 4.475) 17.157 3.490 ( 3.545 0.411 -7.047) 7.900 3.715 ( -1.576 -5.481 -3.173) 6.526 3.838 ( -3.935 -12.376 7.149) 14.824 4.037 ( 10.848 7.674 2.213) 13.470 4.153 ( 2.086 2.546 -1.721) 3.715 4.159 ( -0.463 -2.082 4.832) 5.282 4.358 ( 0.915 -8.169 -1.654) 8.385 4.550 ( -5.760 4.747 -9.925) 12.419 5.103 ( 1.188 24.801 19.165) 31.365 5.139 ( 9.121 -0.593 7.956) 12.118 5.574 ( -7.608 0.863 -3.328) 8.349 5.719 ( -0.412 -18.987 9.156) 21.083 5.940 ( 3.754 1.280 2.121) 4.498 5.999 ( 3.343 1.532 2.901) 4.683 6.494 ( 5.046 0.577 -12.285) 13.294 6.873 ( 0.741 -1.294 -15.708) 15.778 7.343 ( -1.531 -0.126 11.914) 12.013 7.822 ( 0.518 1.125 -1.689) 2.094 8.110 ( -0.579 -2.000 -6.918) 7.225 8.167 ( -2.626 0.630 -12.601) 12.887 8.441 ( 0.174 -2.957 15.119) 15.406 9.016 ( 4.457 0.811 17.700) 18.271 9.101 ( 0.715 -4.469 0.440) 4.547 9.300 ( 9.615 4.496 15.256) 18.585 9.755 ( 1.063 -3.103 -3.994) 5.169 9.905 ( -14.749 -1.758 4.514) 15.524 9.961 ( -0.775 2.436 -4.212) 4.927 10.204 ( -6.976 -1.739 -0.427) 7.202 10.284 ( 2.696 -0.585 -7.059) 7.579 10.458 ( -3.869 0.437 -10.822) 11.501 10.711 ( 3.049 9.852 6.844) 12.378 10.889 ( 10.545 -4.209 10.002) 15.131 11.225 ( 6.250 2.926 6.902) 9.760 11.457 ( 5.267 7.077 13.344) 15.996 11.659 ( -3.763 7.537 12.036) 14.691 11.801 ( -4.302 -1.722 -2.067) 5.074 12.014 ( 0.010 -10.119 -4.180) 10.948 12.208 ( -5.390 -2.605 -1.783) 6.246 12.317 ( -0.925 -6.537 -3.259) 7.362 12.797 ( 5.573 0.929 -7.573) 9.449 13.784 ( 1.620 0.056 3.929) 4.250 14.311 ( -2.790 4.132 0.249) 4.992 14.459 ( 0.889 -6.946 -5.576) 8.952 14.933 ( -5.399 1.835 3.973) 6.949 15.145 ( 5.634 -0.007 -16.757) 17.678 15.460 ( -10.208 -1.958 -14.356) 17.724 16.436 ( -2.080 -3.667 14.008) 14.628 17.177 ( 0.159 -2.325 -6.221) 6.643 17.283 ( -2.630 -1.379 12.055) 12.416 17.732 ( 0.096 -0.623 18.609) 18.620 18.969 ( 1.138 1.884 -30.315) 30.395 19.129 ( 1.066 2.561 11.858) 12.178 19.440 ( 2.895 1.226 -24.405) 24.607 19.952 ( -1.396 2.532 -12.295) 12.631 21.109 ( 0.751 0.315 16.608) 16.628 21.523 ( 0.033 -0.468 -0.223) 0.520 ======================= Grid point 169 (62/84) ======================= q-point: (-0.38 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( 0.000 -1.746 3.410) 3.831 1.319 ( -0.000 6.039 -5.481) 8.156 2.271 ( -0.000 7.582 8.989) 11.760 2.391 ( -0.000 22.837 1.714) 22.901 2.671 ( -0.000 0.997 1.477) 1.782 2.687 ( -0.000 6.099 -6.509) 8.920 2.941 ( -0.000 0.170 1.028) 1.042 3.185 ( -0.000 0.083 10.277) 10.277 3.215 ( 0.000 -9.406 10.828) 14.344 3.503 ( 0.000 -0.045 -4.453) 4.453 3.621 ( 0.000 -20.172 7.837) 21.641 3.805 ( 0.000 -10.141 -3.402) 10.697 3.969 ( 0.000 -15.163 3.698) 15.607 4.000 ( -0.000 10.686 -0.563) 10.701 4.103 ( -0.000 7.812 2.346) 8.157 4.194 ( 0.000 -0.812 3.461) 3.555 4.443 ( -0.000 6.001 -7.840) 9.873 4.462 ( 0.000 -9.490 0.674) 9.514 4.830 ( -0.000 20.973 22.696) 30.903 5.282 ( 0.000 -3.582 2.155) 4.180 5.489 ( -0.000 1.023 -3.176) 3.337 5.816 ( -0.000 8.325 -2.982) 8.843 5.930 ( 0.000 -9.279 3.793) 10.024 6.083 ( 0.000 -4.650 7.866) 9.138 6.519 ( -0.000 2.292 -9.392) 9.668 6.905 ( 0.000 -2.679 -16.291) 16.510 7.330 ( -0.000 0.035 11.987) 11.987 7.811 ( -0.000 1.416 -2.469) 2.846 8.110 ( -0.000 0.759 -8.802) 8.835 8.122 ( -0.000 2.242 -12.167) 12.371 8.518 ( 0.000 -8.777 14.986) 17.367 9.040 ( -0.000 0.275 19.294) 19.296 9.181 ( 0.000 -7.060 1.807) 7.287 9.352 ( -0.000 6.489 17.237) 18.418 9.714 ( 0.000 -2.788 3.774) 4.692 9.897 ( 0.000 -8.708 -1.973) 8.929 9.917 ( -0.000 3.615 -1.412) 3.881 10.165 ( 0.000 -1.494 -1.922) 2.434 10.332 ( 0.000 -1.855 -5.120) 5.446 10.401 ( -0.000 1.860 -16.115) 16.222 10.595 ( -0.000 11.797 3.984) 12.452 11.029 ( -0.000 5.616 -2.131) 6.006 11.231 ( -0.000 3.439 12.302) 12.773 11.322 ( -0.000 8.465 13.320) 15.783 11.582 ( -0.000 4.702 19.497) 20.056 11.770 ( -0.000 0.740 -3.690) 3.764 12.186 ( 0.000 -12.271 -6.168) 13.733 12.199 ( 0.000 -7.715 1.944) 7.956 12.423 ( 0.000 -11.342 -3.384) 11.835 12.821 ( -0.000 2.582 -10.256) 10.575 13.796 ( -0.000 0.354 6.498) 6.508 14.245 ( -0.000 2.365 5.206) 5.718 14.564 ( 0.000 -8.118 -9.584) 12.560 14.865 ( -0.000 1.810 4.633) 4.974 15.280 ( 0.000 -1.128 -21.185) 21.215 15.303 ( 0.000 -0.040 -10.208) 10.208 16.484 ( 0.000 -7.646 14.120) 16.058 17.243 ( 0.000 -7.529 -10.968) 13.303 17.259 ( 0.000 -0.051 16.824) 16.824 17.742 ( 0.000 -1.062 18.485) 18.516 18.952 ( -0.000 3.163 -30.472) 30.636 19.089 ( -0.000 5.471 12.684) 13.814 19.464 ( -0.000 0.261 -26.681) 26.683 19.875 ( -0.000 7.362 -11.608) 13.745 21.111 ( -0.000 0.512 16.661) 16.669 21.532 ( 0.000 -0.942 -0.469) 1.052 ======================= Grid point 177 (63/84) ======================= q-point: (-0.50 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( 0.000 -0.000 4.408) 4.408 1.405 ( 0.000 -0.000 -8.767) 8.767 2.273 ( 0.000 -0.000 13.925) 13.925 2.728 ( 0.000 -0.000 2.238) 2.238 2.779 ( -0.000 0.000 -1.025) 1.025 2.804 ( 0.000 -0.000 5.455) 5.455 3.041 ( 0.000 -0.000 5.309) 5.309 3.106 ( -0.000 0.000 5.476) 5.476 3.173 ( 0.000 -0.000 -3.259) 3.259 3.197 ( 0.000 -0.000 3.447) 3.447 3.528 ( 0.000 -0.000 -2.403) 2.403 3.689 ( -0.000 0.000 -5.014) 5.014 3.707 ( 0.000 -0.000 9.409) 9.409 4.080 ( 0.000 -0.000 3.379) 3.379 4.183 ( -0.000 0.000 -1.385) 1.385 4.250 ( 0.000 -0.000 2.089) 2.089 4.320 ( 0.000 -0.000 -1.647) 1.647 4.523 ( 0.000 -0.000 -12.133) 12.133 5.228 ( 0.000 -0.000 5.217) 5.217 5.362 ( -0.000 0.000 18.333) 18.333 5.496 ( 0.000 -0.000 -3.159) 3.159 5.509 ( 0.000 -0.000 11.793) 11.793 5.973 ( 0.000 -0.000 -0.672) 0.672 6.048 ( 0.000 -0.000 9.342) 9.342 6.537 ( 0.000 -0.000 -14.235) 14.235 6.869 ( 0.000 -0.000 -13.235) 13.235 7.330 ( 0.000 -0.000 12.472) 12.472 7.837 ( 0.000 -0.000 -3.107) 3.107 8.092 ( 0.000 -0.000 -7.737) 7.737 8.148 ( 0.000 -0.000 -12.198) 12.198 8.422 ( 0.000 -0.000 15.351) 15.351 9.071 ( 0.000 -0.000 -0.548) 0.548 9.073 ( 0.000 -0.000 19.174) 19.174 9.480 ( 0.000 -0.000 18.220) 18.220 9.680 ( 0.000 -0.000 4.812) 4.812 9.749 ( 0.000 -0.000 -3.849) 3.849 9.972 ( 0.000 -0.000 -4.207) 4.207 10.130 ( 0.000 -0.000 -1.368) 1.368 10.318 ( 0.000 -0.000 -4.793) 4.793 10.415 ( 0.000 -0.000 -14.910) 14.910 10.848 ( 0.000 -0.000 10.493) 10.493 10.897 ( 0.000 -0.000 4.479) 4.479 11.284 ( 0.000 -0.000 13.235) 13.235 11.604 ( 0.000 -0.000 14.976) 14.976 11.706 ( 0.000 -0.000 1.550) 1.550 11.748 ( 0.000 -0.000 1.031) 1.031 11.892 ( -0.000 0.000 0.098) 0.098 12.160 ( 0.000 -0.000 -3.366) 3.366 12.251 ( -0.000 0.000 -2.738) 2.738 12.850 ( 0.000 -0.000 -8.232) 8.232 13.801 ( 0.000 -0.000 4.447) 4.447 14.326 ( 0.000 -0.000 -5.911) 5.911 14.415 ( 0.000 -0.000 -0.516) 0.516 14.883 ( 0.000 -0.000 3.819) 3.819 15.266 ( 0.000 -0.000 -22.362) 22.362 15.298 ( 0.000 -0.000 -10.314) 10.314 16.397 ( 0.000 -0.000 14.422) 14.422 17.159 ( 0.000 -0.000 -10.905) 10.905 17.261 ( 0.000 -0.000 16.460) 16.460 17.729 ( 0.000 -0.000 18.379) 18.379 18.988 ( 0.000 -0.000 -30.639) 30.639 19.153 ( 0.000 -0.000 13.167) 13.167 19.466 ( 0.000 -0.000 -26.112) 26.112 19.961 ( 0.000 -0.000 -11.810) 11.810 21.118 ( 0.000 -0.000 16.448) 16.448 21.521 ( 0.000 -0.000 0.025) 0.025 ======================= Grid point 207 (64/84) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 0.000 0.000 4.261) 4.261 1.115 ( 0.000 0.000 -2.299) 2.299 1.873 ( 0.000 0.000 24.953) 24.953 1.928 ( 0.000 0.000 32.102) 32.102 2.296 ( 0.000 0.000 -20.135) 20.135 2.493 ( 0.000 0.000 -28.111) 28.111 3.169 ( 0.000 0.000 11.047) 11.047 3.345 ( 0.000 0.000 42.115) 42.115 3.374 ( 0.000 0.000 -2.416) 2.416 3.501 ( 0.000 0.000 19.454) 19.454 3.760 ( 0.000 0.000 -6.079) 6.079 3.766 ( 0.000 0.000 2.892) 2.892 3.860 ( 0.000 0.000 -8.385) 8.385 4.189 ( 0.000 0.000 -39.958) 39.958 4.417 ( 0.000 0.000 24.336) 24.336 4.570 ( 0.000 0.000 1.805) 1.805 4.610 ( 0.000 0.000 -2.595) 2.595 4.845 ( 0.000 0.000 -20.530) 20.530 5.172 ( 0.000 0.000 -0.121) 0.121 5.192 ( 0.000 0.000 -2.547) 2.547 5.310 ( 0.000 0.000 12.593) 12.593 5.486 ( 0.000 0.000 -7.704) 7.704 5.740 ( 0.000 0.000 27.775) 27.775 6.163 ( 0.000 0.000 15.801) 15.801 6.259 ( 0.000 0.000 -22.907) 22.907 6.480 ( 0.000 0.000 -21.088) 21.088 7.477 ( 0.000 0.000 11.360) 11.360 7.652 ( 0.000 0.000 11.659) 11.659 7.704 ( 0.000 0.000 -12.473) 12.473 7.882 ( 0.000 0.000 -12.532) 12.532 9.263 ( 0.000 0.000 11.914) 11.914 9.385 ( 0.000 0.000 7.423) 7.423 9.593 ( 0.000 0.000 5.162) 5.162 9.699 ( 0.000 0.000 -1.626) 1.626 9.749 ( 0.000 0.000 1.844) 1.844 9.801 ( 0.000 0.000 0.796) 0.796 9.817 ( 0.000 0.000 -1.660) 1.660 9.975 ( 0.000 0.000 -17.399) 17.399 10.169 ( 0.000 0.000 11.801) 11.801 10.284 ( 0.000 0.000 12.443) 12.443 10.367 ( 0.000 0.000 -10.936) 10.936 10.527 ( 0.000 0.000 -12.572) 12.572 11.253 ( 0.000 0.000 5.478) 5.478 11.342 ( 0.000 0.000 -3.998) 3.998 11.388 ( 0.000 0.000 25.238) 25.238 11.918 ( 0.000 0.000 -29.352) 29.352 12.258 ( 0.000 0.000 5.065) 5.065 12.370 ( 0.000 0.000 -6.200) 6.200 13.073 ( 0.000 0.000 0.700) 0.700 13.079 ( 0.000 0.000 0.040) 0.040 14.224 ( 0.000 0.000 15.678) 15.678 14.455 ( 0.000 0.000 -8.952) 8.952 14.765 ( 0.000 0.000 8.719) 8.719 14.822 ( 0.000 0.000 9.382) 9.382 14.937 ( 0.000 0.000 -9.552) 9.552 15.048 ( 0.000 0.000 -14.473) 14.473 17.631 ( 0.000 0.000 18.332) 18.332 17.940 ( 0.000 0.000 0.136) 0.136 17.943 ( 0.000 0.000 -0.231) 0.231 17.952 ( 0.000 0.000 -15.532) 15.532 18.225 ( 0.000 0.000 27.074) 27.074 18.708 ( 0.000 0.000 2.706) 2.706 18.764 ( 0.000 0.000 -30.332) 30.332 18.780 ( 0.000 0.000 -5.081) 5.081 21.384 ( 0.000 0.000 9.557) 9.557 21.522 ( 0.000 0.000 -5.507) 5.507 ======================= Grid point 208 (65/84) ======================= q-point: ( 0.12 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( 11.469 -1.253 2.652) 11.838 1.216 ( 10.799 -0.758 -2.139) 11.035 1.955 ( 5.799 0.581 27.353) 27.967 2.002 ( 10.841 -3.489 23.259) 25.898 2.385 ( 8.975 -1.297 -18.553) 20.651 2.493 ( 2.932 2.958 -25.383) 25.722 3.096 ( -12.248 -6.073 10.275) 17.102 3.281 ( -13.004 -4.054 -8.934) 16.290 3.471 ( 2.224 -1.915 29.679) 29.824 3.515 ( 5.900 -7.061 31.567) 32.881 3.680 ( -1.571 8.155 -2.445) 8.658 3.776 ( 0.888 3.129 1.584) 3.618 3.861 ( -2.133 -4.415 -6.363) 8.033 4.266 ( 4.635 -4.924 -34.753) 35.405 4.411 ( 2.528 6.865 16.091) 17.676 4.545 ( 0.880 1.772 0.674) 2.090 4.618 ( 3.281 6.934 -0.798) 7.713 4.806 ( -3.425 6.975 -12.624) 14.824 5.041 ( -11.511 -4.409 1.499) 12.417 5.096 ( -4.785 -1.870 -5.687) 7.664 5.413 ( 6.041 1.157 11.752) 13.264 5.541 ( 6.630 2.980 -2.753) 7.772 5.773 ( -0.332 -5.966 20.536) 21.388 6.131 ( -4.988 -2.178 9.868) 11.270 6.263 ( -2.358 -3.393 -17.542) 18.022 6.441 ( -4.801 -0.371 -20.775) 21.325 7.512 ( 3.209 -0.775 11.058) 11.540 7.710 ( 4.309 -3.246 9.422) 10.857 7.739 ( 3.110 -1.207 -12.710) 13.140 7.896 ( 1.824 0.123 -10.135) 10.298 9.268 ( 0.656 3.512 12.304) 12.812 9.409 ( -0.809 -1.617 7.476) 7.692 9.499 ( -7.785 5.423 5.463) 10.948 9.575 ( -7.482 -2.919 2.514) 8.415 9.686 ( -7.721 -7.494 -2.610) 11.072 9.834 ( -0.377 -3.705 -8.851) 9.603 9.855 ( -1.743 3.109 5.593) 6.632 10.004 ( 3.460 1.123 -11.228) 11.802 10.114 ( -2.094 0.771 3.535) 4.180 10.135 ( -8.635 1.139 2.433) 9.043 10.477 ( 8.194 1.974 0.321) 8.434 10.597 ( 8.078 2.997 -9.536) 12.852 11.210 ( -2.971 -1.623 13.766) 14.177 11.390 ( 3.812 -2.664 -6.813) 8.249 11.449 ( 1.566 -4.339 21.345) 21.838 11.940 ( 0.113 -3.004 -26.891) 27.058 12.237 ( -0.080 3.120 4.433) 5.421 12.357 ( -0.809 1.534 -6.860) 7.075 12.951 ( -8.357 5.839 3.075) 10.648 12.990 ( -6.908 4.868 -1.136) 8.527 14.169 ( -5.318 1.455 16.885) 17.762 14.442 ( -3.058 1.604 -10.900) 11.434 14.710 ( -0.732 0.606 7.137) 7.200 14.883 ( -0.549 0.609 -9.527) 9.563 14.959 ( 10.237 -0.277 8.940) 13.594 15.179 ( 10.085 -1.358 -13.368) 16.800 17.423 ( -12.984 7.047 14.579) 20.756 17.641 ( -14.076 6.792 -6.918) 17.091 18.002 ( 7.402 6.363 11.717) 15.250 18.110 ( 3.649 -1.935 -0.670) 4.185 18.249 ( 2.626 2.350 8.041) 8.780 18.555 ( -10.386 -6.824 -15.534) 19.893 18.900 ( 9.751 -4.764 2.341) 11.102 19.092 ( 17.283 -8.381 -17.373) 25.899 21.369 ( -1.141 0.508 10.116) 10.193 21.514 ( -0.742 0.288 -5.626) 5.682 ======================= Grid point 209 (66/84) ======================= q-point: ( 0.25 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 11.297 -0.491 2.337) 11.546 1.432 ( 12.150 -1.214 -2.756) 12.518 2.106 ( 11.396 -3.104 20.119) 23.330 2.279 ( 14.008 -6.374 14.823) 21.368 2.511 ( 6.687 1.704 -15.990) 17.415 2.621 ( 11.418 -3.817 -14.751) 19.041 2.936 ( -17.885 -10.123 7.606) 21.913 3.069 ( -18.739 -6.586 -6.564) 20.919 3.409 ( -4.866 3.437 10.158) 11.776 3.511 ( -6.409 7.041 -2.375) 9.813 3.745 ( 0.011 1.622 7.028) 7.213 3.830 ( 5.404 -9.395 15.684) 19.064 3.913 ( 6.750 -7.162 11.713) 15.299 4.290 ( -0.054 11.630 11.571) 16.406 4.373 ( -0.924 6.714 -2.456) 7.209 4.530 ( -1.675 4.718 -19.861) 20.482 4.560 ( 3.010 4.958 -4.877) 7.578 4.645 ( -0.560 2.827 -10.372) 10.765 5.004 ( -0.113 -2.853 5.191) 5.924 5.103 ( 5.408 4.105 -5.247) 8.581 5.473 ( 3.531 -0.932 17.324) 17.705 5.635 ( 5.576 -1.964 -2.868) 6.571 5.816 ( -4.797 -5.667 13.821) 15.689 6.065 ( -7.046 -4.541 4.126) 9.343 6.244 ( -5.065 -2.298 -10.486) 11.869 6.348 ( -6.292 -1.225 -24.807) 25.622 7.581 ( 3.701 -0.641 11.244) 11.855 7.819 ( 4.592 -1.166 -13.287) 14.107 7.842 ( 5.269 -4.255 4.814) 8.309 7.940 ( 2.871 -1.139 -5.097) 5.960 9.121 ( -8.897 6.408 10.302) 15.045 9.267 ( -9.550 5.288 -5.056) 12.031 9.390 ( -3.717 -0.291 17.812) 18.198 9.582 ( -4.301 -3.649 8.512) 10.212 9.659 ( -6.674 -1.981 1.537) 7.129 9.700 ( -1.919 1.858 -2.619) 3.741 9.909 ( -0.943 -7.434 -9.972) 12.473 9.912 ( -8.605 0.728 -7.108) 11.184 10.168 ( 8.007 -3.289 -0.417) 8.666 10.171 ( 7.888 -3.283 -0.662) 8.570 10.562 ( 4.580 1.456 2.660) 5.493 10.669 ( 4.477 3.193 -7.043) 8.936 11.234 ( 3.943 -0.623 19.244) 19.654 11.492 ( -0.906 -5.146 10.623) 11.839 11.525 ( 4.731 -4.353 0.780) 6.476 11.976 ( -0.506 -3.560 -21.015) 21.320 12.187 ( -0.919 4.260 0.529) 4.389 12.302 ( -2.233 3.408 -7.100) 8.186 12.723 ( -9.370 7.243 3.585) 12.374 12.771 ( -10.145 7.798 -1.173) 12.849 14.043 ( -7.027 0.867 15.914) 17.418 14.333 ( -6.248 1.629 -13.541) 15.001 14.715 ( 3.834 3.585 8.585) 10.062 14.900 ( 4.503 3.985 -9.337) 11.106 15.128 ( 8.211 -1.427 9.336) 12.515 15.361 ( 8.176 -3.263 -14.139) 16.656 17.160 ( -9.180 5.406 14.204) 17.755 17.381 ( -8.901 4.867 -7.594) 12.672 18.018 ( 2.786 4.373 22.087) 22.688 18.152 ( -2.294 -4.235 0.473) 4.839 18.234 ( 3.760 8.636 -3.050) 9.901 18.507 ( -4.685 -4.769 -22.535) 23.506 19.131 ( 9.255 -5.575 11.221) 15.577 19.429 ( 11.861 -6.907 -19.594) 23.923 21.344 ( -1.105 0.310 10.867) 10.928 21.496 ( -0.870 0.294 -5.705) 5.778 ======================= Grid point 210 (67/84) ======================= q-point: ( 0.38 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( 4.655 0.890 4.161) 6.306 1.594 ( 5.859 -0.317 -4.424) 7.348 2.377 ( 14.409 -4.752 12.106) 19.410 2.546 ( 8.573 -3.200 -1.240) 9.234 2.633 ( 3.477 -6.703 9.030) 11.772 2.750 ( -11.324 -9.942 0.561) 15.080 2.870 ( 6.454 -4.638 -6.883) 10.514 2.885 ( -9.778 -4.151 -6.463) 12.435 3.267 ( -5.662 3.711 2.595) 7.250 3.309 ( -8.708 5.730 -2.727) 10.775 3.735 ( -0.487 -0.053 7.616) 7.631 3.851 ( -2.279 -0.665 -4.338) 4.945 4.063 ( -2.211 8.282 14.091) 16.493 4.168 ( -6.633 7.243 6.950) 12.031 4.291 ( 10.452 -1.127 9.052) 13.873 4.498 ( 4.281 -0.203 -9.378) 10.311 4.553 ( 3.121 2.774 -1.026) 4.300 4.712 ( 2.382 -0.293 -11.612) 11.858 5.019 ( 1.549 3.210 8.946) 9.630 5.188 ( 11.097 3.150 -8.119) 14.106 5.550 ( 0.106 -3.050 16.226) 16.511 5.713 ( -11.124 -1.349 17.037) 20.392 5.765 ( 5.786 -5.042 -4.394) 8.843 6.033 ( -2.455 -3.566 -1.929) 4.740 6.129 ( -8.237 1.225 -5.500) 9.980 6.299 ( -2.995 -2.216 -27.733) 27.982 7.639 ( 2.419 -0.340 12.137) 12.381 7.900 ( 3.431 -0.732 -15.073) 15.476 7.938 ( 2.611 -0.786 4.285) 5.079 8.021 ( 2.821 -3.664 -4.190) 6.240 8.927 ( -6.558 3.421 10.511) 12.853 9.092 ( -5.518 2.234 -6.530) 8.837 9.312 ( -4.953 -0.438 17.838) 18.518 9.413 ( -5.977 7.632 9.327) 13.452 9.622 ( -3.577 -1.697 1.234) 4.147 9.693 ( -1.239 -1.129 -11.741) 11.860 9.823 ( -2.413 -0.739 0.955) 2.699 9.957 ( -0.328 -2.995 -10.028) 10.471 10.388 ( 9.404 -7.490 1.949) 12.179 10.414 ( 10.981 -6.638 -1.279) 12.895 10.598 ( 0.646 -0.622 2.348) 2.513 10.675 ( 0.261 1.791 -4.624) 4.966 11.326 ( 7.539 2.047 19.867) 21.347 11.495 ( -6.462 -6.670 21.045) 23.003 11.665 ( 6.581 -1.878 -10.258) 12.332 12.006 ( -0.567 -2.999 -13.953) 14.283 12.108 ( -2.241 4.711 -5.953) 7.915 12.222 ( -1.170 4.604 -7.019) 8.475 12.498 ( -7.797 5.850 2.013) 9.953 12.512 ( -9.686 6.256 0.928) 11.568 13.949 ( -3.597 0.020 13.593) 14.061 14.233 ( -3.949 0.524 -15.599) 16.099 14.741 ( 3.743 3.092 9.817) 10.952 14.921 ( 3.294 3.556 -7.779) 9.165 15.243 ( 4.080 -0.833 10.328) 11.136 15.502 ( 4.357 -2.520 -15.599) 16.391 17.006 ( -4.272 2.436 14.442) 15.257 17.237 ( -3.979 2.060 -8.539) 9.643 18.006 ( 0.373 1.785 25.343) 25.409 18.149 ( -4.632 -5.829 -0.555) 7.466 18.192 ( 4.265 9.274 -4.358) 11.099 18.494 ( -1.512 -1.535 -25.457) 25.548 19.299 ( 4.821 -3.029 14.306) 15.398 19.629 ( 5.495 -3.351 -20.102) 21.107 21.329 ( -0.507 0.002 11.079) 11.090 21.482 ( -0.494 0.127 -5.565) 5.588 ======================= Grid point 211 (68/84) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( 0.000 -0.000 4.996) 4.996 1.639 ( 0.000 -0.000 -5.389) 5.389 2.581 ( 0.000 -0.000 10.651) 10.651 2.601 ( -0.000 -0.000 7.633) 7.633 2.661 ( 0.000 0.000 -0.568) 0.568 2.793 ( -0.000 0.000 -8.557) 8.557 2.808 ( 0.000 -0.000 10.632) 10.632 2.993 ( 0.000 -0.000 -10.242) 10.242 3.151 ( 0.000 -0.000 0.522) 0.522 3.201 ( 0.000 -0.000 -3.255) 3.255 3.730 ( -0.000 -0.000 6.493) 6.493 3.828 ( 0.000 -0.000 -2.141) 2.141 3.986 ( 0.000 0.000 6.467) 6.467 4.029 ( -0.000 -0.000 4.379) 4.379 4.387 ( 0.000 0.000 3.185) 3.185 4.542 ( 0.000 -0.000 -9.138) 9.138 4.659 ( -0.000 0.000 1.817) 1.817 4.678 ( 0.000 -0.000 -1.739) 1.739 5.006 ( 0.000 -0.000 14.320) 14.320 5.320 ( 0.000 -0.000 -17.379) 17.379 5.522 ( 0.000 -0.000 14.754) 14.754 5.596 ( 0.000 -0.000 21.326) 21.326 5.911 ( 0.000 -0.000 -6.720) 6.720 5.996 ( 0.000 -0.000 0.032) 0.032 6.043 ( 0.000 -0.000 -1.758) 1.758 6.286 ( 0.000 -0.000 -29.030) 29.030 7.662 ( 0.000 -0.000 12.629) 12.629 7.934 ( 0.000 -0.000 -16.130) 16.130 7.962 ( 0.000 -0.000 5.487) 5.487 8.072 ( 0.000 -0.000 -5.922) 5.922 8.850 ( 0.000 -0.000 11.559) 11.559 9.038 ( 0.000 -0.000 -7.586) 7.586 9.276 ( 0.000 0.000 14.684) 14.684 9.302 ( 0.000 -0.000 12.839) 12.839 9.593 ( 0.000 -0.000 -2.084) 2.084 9.689 ( 0.000 -0.000 -13.230) 13.230 9.812 ( 0.000 -0.000 4.996) 4.996 9.972 ( 0.000 -0.000 -10.095) 10.095 10.533 ( 0.000 0.000 5.185) 5.185 10.576 ( 0.000 -0.000 2.313) 2.313 10.601 ( -0.000 -0.000 -1.762) 1.762 10.656 ( 0.000 -0.000 -4.698) 4.698 11.412 ( -0.000 -0.000 14.789) 14.789 11.446 ( 0.000 0.000 25.921) 25.921 11.744 ( -0.000 -0.000 -11.126) 11.126 12.028 ( 0.000 0.000 7.703) 7.703 12.032 ( 0.000 -0.000 -26.093) 26.093 12.184 ( 0.000 -0.000 -8.860) 8.860 12.379 ( 0.000 -0.000 2.861) 2.861 12.391 ( 0.000 -0.000 1.092) 1.092 13.921 ( 0.000 0.000 12.400) 12.400 14.197 ( 0.000 -0.000 -16.010) 16.010 14.756 ( 0.000 -0.000 9.820) 9.820 14.927 ( 0.000 -0.000 -6.938) 6.938 15.281 ( 0.000 0.000 10.989) 10.989 15.553 ( 0.000 -0.000 -16.342) 16.342 16.958 ( 0.000 -0.000 14.564) 14.564 17.194 ( 0.000 0.000 -8.924) 8.924 17.998 ( 0.000 0.000 25.919) 25.919 18.144 ( 0.000 0.000 -1.771) 1.771 18.172 ( -0.000 -0.000 -3.387) 3.387 18.490 ( 0.000 0.000 -26.145) 26.145 19.356 ( 0.000 -0.000 14.992) 14.992 19.692 ( 0.000 -0.000 -20.107) 20.107 21.326 ( 0.000 -0.000 11.063) 11.063 21.477 ( 0.000 -0.000 -5.458) 5.458 ======================= Grid point 217 (69/84) ======================= q-point: ( 0.12 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 12.916 0.000 1.190) 12.971 1.413 ( 12.466 0.000 -2.575) 12.729 2.092 ( 10.029 0.000 24.768) 26.721 2.190 ( 13.716 0.000 17.926) 22.571 2.559 ( 11.328 0.000 -16.050) 19.644 2.563 ( 3.259 0.000 -18.785) 19.066 2.794 ( -18.066 -0.000 9.233) 20.289 2.974 ( -19.136 -0.000 -10.792) 21.970 3.464 ( -2.808 -0.000 14.073) 14.351 3.596 ( -0.243 -0.000 14.230) 14.232 3.758 ( 1.722 0.000 6.561) 6.783 3.762 ( -2.514 -0.000 1.809) 3.098 3.772 ( 5.896 0.000 14.401) 15.561 4.354 ( 7.497 0.000 -23.845) 24.996 4.553 ( 1.944 0.000 -3.440) 3.951 4.592 ( 8.241 0.000 -0.028) 8.241 4.678 ( -12.596 -0.000 -0.638) 12.612 4.689 ( -5.807 -0.000 -0.860) 5.870 4.873 ( 1.782 0.000 9.053) 9.227 5.153 ( 9.143 0.000 -16.933) 19.244 5.479 ( 1.775 0.000 16.492) 16.588 5.628 ( 1.816 0.000 -5.218) 5.525 5.729 ( -0.670 -0.000 18.264) 18.276 6.005 ( -8.052 -0.000 16.203) 18.094 6.199 ( -3.145 -0.000 -19.868) 20.115 6.335 ( -7.150 -0.000 -24.415) 25.440 7.573 ( 4.104 0.000 10.465) 11.241 7.775 ( 5.320 0.000 4.009) 6.661 7.808 ( 5.915 0.000 -9.254) 10.983 7.931 ( 2.191 0.000 -7.505) 7.818 9.220 ( -16.450 -0.000 8.913) 18.709 9.307 ( -5.759 -0.000 0.716) 5.803 9.432 ( -7.089 -0.000 19.307) 20.567 9.444 ( -1.234 -0.000 4.411) 4.580 9.597 ( 4.142 0.000 -4.668) 6.241 9.801 ( -0.780 -0.000 -14.158) 14.179 9.802 ( -4.254 -0.000 5.406) 6.879 9.929 ( -9.249 -0.000 -5.823) 10.930 10.136 ( 5.363 0.000 -0.243) 5.368 10.143 ( 3.579 0.000 0.018) 3.579 10.588 ( 3.900 0.000 2.638) 4.708 10.712 ( 3.063 0.000 -8.393) 8.935 11.224 ( 6.130 0.000 19.252) 20.204 11.417 ( -2.549 -0.000 21.417) 21.568 11.481 ( 8.579 0.000 -9.594) 12.870 11.917 ( -0.726 -0.000 -27.849) 27.858 12.251 ( -0.533 -0.000 3.597) 3.636 12.346 ( -1.868 -0.000 -5.187) 5.513 12.808 ( -11.583 -0.000 4.760) 12.523 12.865 ( -11.113 -0.000 -1.322) 11.191 14.052 ( -8.199 -0.000 16.860) 18.748 14.362 ( -7.309 -0.000 -15.622) 17.247 14.757 ( 4.225 0.000 9.698) 10.578 14.953 ( 6.262 0.000 -11.655) 13.231 15.116 ( 8.390 0.000 8.780) 12.144 15.309 ( 7.157 0.000 -11.782) 13.786 17.225 ( -13.640 -0.000 12.676) 18.620 17.436 ( -13.453 -0.000 -9.304) 16.357 17.989 ( -6.757 -0.000 20.505) 21.589 18.146 ( 2.248 0.000 18.800) 18.934 18.398 ( -2.575 -0.000 -22.643) 22.789 18.458 ( 10.150 0.000 -13.425) 16.830 19.056 ( 11.508 0.000 8.558) 14.342 19.323 ( 15.206 0.000 -19.125) 24.433 21.349 ( -1.416 -0.000 10.705) 10.798 21.499 ( -1.054 -0.000 -5.732) 5.828 ======================= Grid point 218 (70/84) ======================= q-point: ( 0.25 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( 7.483 1.208 0.636) 7.607 1.583 ( 6.888 -0.441 -3.091) 7.563 2.293 ( 13.209 -1.457 18.106) 22.459 2.421 ( 8.982 -4.486 11.510) 15.274 2.530 ( -9.527 -5.832 1.357) 11.252 2.541 ( -9.108 -3.561 1.371) 9.875 2.777 ( 9.424 -1.311 -10.883) 14.456 2.818 ( 2.669 -2.006 -15.732) 16.083 3.380 ( -4.473 4.214 7.569) 9.750 3.456 ( -8.284 5.534 -1.094) 10.023 3.695 ( -4.079 -1.979 4.974) 6.730 3.743 ( -3.823 -5.713 0.490) 6.891 4.083 ( 16.393 -1.822 25.892) 30.699 4.383 ( -3.341 5.372 4.429) 7.723 4.417 ( -7.455 8.391 4.199) 11.984 4.520 ( -6.137 1.731 -6.920) 9.410 4.624 ( -0.175 2.024 -10.742) 10.932 4.669 ( 3.848 -2.367 -16.046) 16.670 5.042 ( 10.290 -1.131 13.366) 16.906 5.308 ( 12.092 4.445 -13.833) 18.903 5.502 ( 1.056 -0.814 17.169) 17.220 5.649 ( 0.180 -3.297 -4.403) 5.504 5.693 ( -5.442 -0.461 20.408) 21.126 5.925 ( -2.904 -4.187 7.105) 8.744 6.122 ( -7.820 -0.954 -10.653) 13.249 6.255 ( -2.233 -1.149 -31.513) 31.613 7.630 ( 2.412 -0.257 11.291) 11.548 7.865 ( 3.745 -1.836 -8.282) 9.273 7.915 ( 5.921 -0.740 -2.051) 6.310 7.965 ( 1.531 -0.729 -2.361) 2.907 8.962 ( -12.651 0.209 11.378) 17.016 9.137 ( -9.547 1.134 -7.615) 12.264 9.310 ( -6.377 0.104 18.559) 19.624 9.518 ( 2.329 -1.396 4.604) 5.345 9.563 ( -6.326 2.145 1.435) 6.833 9.730 ( -6.252 0.239 -9.090) 11.035 9.839 ( 7.515 3.414 -0.419) 8.264 9.920 ( 7.654 -1.720 -6.992) 10.508 10.237 ( 6.598 -3.649 1.178) 7.632 10.263 ( 8.056 -4.793 -1.714) 9.529 10.613 ( 0.120 0.892 3.201) 3.325 10.715 ( -1.099 1.163 -5.696) 5.916 11.356 ( 2.719 -0.170 15.569) 15.806 11.374 ( 1.241 -2.116 28.345) 28.451 11.632 ( 7.699 -0.915 -12.686) 14.867 11.924 ( 0.147 -2.436 -26.558) 26.670 12.221 ( -0.701 3.232 2.605) 4.209 12.302 ( -1.691 1.915 -4.076) 4.810 12.598 ( -12.024 2.375 3.966) 12.881 12.644 ( -12.615 3.553 -0.404) 13.112 13.940 ( -5.064 -0.361 15.327) 16.146 14.249 ( -5.108 0.589 -16.594) 17.372 14.797 ( 1.109 1.412 10.777) 10.926 15.011 ( 2.028 3.026 -11.803) 12.353 15.230 ( 5.286 -0.155 8.379) 9.908 15.424 ( 4.509 -3.039 -11.718) 12.918 17.028 ( -9.580 0.091 12.908) 16.075 17.249 ( -8.989 -0.407 -9.954) 13.419 17.902 ( -6.761 -4.024 20.231) 21.707 18.127 ( -2.918 -0.133 13.141) 13.461 18.386 ( 3.312 4.741 -15.854) 16.876 18.571 ( 7.425 5.235 -18.327) 20.455 19.237 ( 8.244 -1.788 12.790) 15.322 19.545 ( 8.897 -2.935 -19.269) 21.426 21.331 ( -0.693 0.060 11.085) 11.107 21.483 ( -0.745 0.034 -5.666) 5.715 ======================= Grid point 219 (71/84) ======================= q-point: ( 0.38 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 1.215 3.178 1.758) 3.829 1.640 ( 0.236 0.131 -3.990) 3.999 2.434 ( -3.858 -9.504 7.372) 12.631 2.479 ( -0.733 -6.774 2.455) 7.243 2.602 ( 11.418 -3.228 8.702) 14.714 2.697 ( 11.465 -4.875 1.458) 12.543 2.921 ( 8.587 2.934 -4.744) 10.239 2.978 ( 11.007 -0.849 -7.556) 13.378 3.247 ( -6.042 6.628 0.083) 8.969 3.252 ( -4.152 5.052 -0.630) 6.569 3.681 ( -2.182 -3.775 5.796) 7.254 3.753 ( -3.714 -5.971 -1.300) 7.151 4.047 ( -10.253 6.626 11.413) 16.712 4.154 ( -8.721 7.105 -0.314) 11.253 4.418 ( 1.207 2.012 4.443) 5.024 4.509 ( 3.032 -6.898 4.903) 8.990 4.555 ( -5.824 -1.338 -3.577) 6.964 4.718 ( -1.779 0.449 -12.905) 13.035 5.119 ( 4.385 8.885 14.858) 17.858 5.409 ( 0.645 5.741 -12.894) 14.129 5.517 ( 5.824 0.327 11.208) 12.635 5.614 ( 0.718 1.167 19.670) 19.717 5.787 ( 6.578 -8.513 1.754) 10.901 5.979 ( 1.293 -4.932 -1.733) 5.386 5.996 ( -7.767 -0.918 -5.473) 9.546 6.269 ( 1.807 -1.130 -30.539) 30.613 7.655 ( 0.069 -0.427 12.586) 12.594 7.924 ( 1.079 -0.931 -15.150) 15.217 7.966 ( 0.079 0.212 3.780) 3.787 8.028 ( 2.924 -2.669 -3.035) 4.988 8.823 ( -5.558 -1.969 12.272) 13.615 9.026 ( -3.204 -0.714 -9.079) 9.654 9.231 ( -3.056 -0.713 18.050) 18.321 9.406 ( -4.030 4.963 9.239) 11.235 9.551 ( -1.099 -1.718 -6.647) 6.952 9.684 ( -0.199 -1.629 -10.710) 10.835 9.902 ( 7.656 7.253 4.596) 11.504 10.036 ( 6.827 4.373 -8.353) 11.641 10.446 ( 8.515 -6.773 4.112) 11.632 10.508 ( 10.468 -6.910 -2.332) 12.758 10.582 ( -2.269 0.733 2.682) 3.588 10.665 ( -3.282 0.617 -4.490) 5.596 11.304 ( -6.724 -4.646 23.766) 25.132 11.498 ( 8.266 1.819 20.321) 22.013 11.722 ( 0.972 -2.096 -15.645) 15.815 11.975 ( 2.629 -1.077 -18.884) 19.096 12.148 ( -2.387 5.526 0.767) 6.068 12.249 ( -2.223 3.494 -6.271) 7.515 12.393 ( -8.166 0.901 3.531) 8.942 12.428 ( -6.024 2.774 0.348) 6.642 13.900 ( -1.137 -1.311 13.519) 13.630 14.196 ( -0.968 -0.180 -16.776) 16.805 14.761 ( -3.866 0.409 10.731) 11.413 14.962 ( -3.274 2.524 -9.902) 10.731 15.284 ( 1.120 0.196 9.402) 9.470 15.510 ( 0.914 -3.243 -13.687) 14.096 16.919 ( -5.339 -2.521 13.700) 14.918 17.156 ( -4.737 -2.700 -10.515) 11.845 17.854 ( -6.426 -6.201 19.177) 21.155 18.083 ( -3.205 -1.469 7.522) 8.308 18.377 ( 4.576 7.888 -9.547) 13.203 18.605 ( 6.529 7.788 -20.408) 22.799 19.349 ( 3.530 -0.501 14.458) 14.891 19.670 ( 3.036 -1.648 -19.067) 19.378 21.326 ( 0.089 0.007 11.014) 11.014 21.476 ( -0.198 -0.070 -5.406) 5.410 ======================= Grid point 220 (72/84) ======================= q-point: (-0.50 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( -3.224 2.756 2.568) 4.959 1.597 ( -5.452 0.138 -3.977) 6.750 2.434 ( -6.721 -0.638 7.066) 9.772 2.543 ( -1.122 -2.241 -3.471) 4.282 2.788 ( 1.899 -1.841 9.711) 10.065 2.866 ( 5.325 4.586 4.464) 8.325 2.980 ( 11.324 4.820 -3.298) 12.741 3.024 ( -2.678 9.694 -5.278) 11.358 3.223 ( 10.279 -1.509 -1.737) 10.533 3.246 ( 5.955 -0.204 -2.233) 6.363 3.685 ( -2.545 -3.305 5.684) 7.050 3.757 ( -2.651 -5.347 -1.464) 6.145 3.879 ( -3.260 -4.340 11.925) 13.102 4.055 ( -0.232 -3.512 -5.790) 6.776 4.361 ( -5.407 0.683 4.301) 6.943 4.462 ( -7.214 -1.353 -4.283) 8.498 4.601 ( -4.691 -0.941 1.744) 5.093 4.626 ( -4.252 -3.752 -1.418) 5.845 5.016 ( -2.715 7.437 14.628) 16.633 5.245 ( -7.416 6.615 -6.622) 11.942 5.616 ( 2.701 2.859 9.082) 9.897 5.741 ( 14.578 0.719 15.465) 21.265 5.836 ( -7.082 0.819 -6.051) 9.351 6.038 ( 6.483 -6.462 3.667) 9.861 6.063 ( 5.748 -1.405 -7.493) 9.548 6.330 ( 4.561 0.231 -27.086) 27.468 7.642 ( -1.895 -0.035 13.098) 13.234 7.909 ( -3.032 0.288 -10.599) 11.028 7.955 ( -1.034 0.464 0.640) 1.302 8.069 ( -0.807 -0.177 -6.918) 6.967 8.820 ( 0.427 -4.802 13.726) 14.548 9.039 ( 1.648 -2.731 -8.801) 9.362 9.257 ( 3.355 -4.567 15.037) 16.069 9.343 ( 1.577 2.304 13.280) 13.571 9.580 ( 2.138 -2.505 -6.027) 6.868 9.727 ( 2.848 -1.107 -13.596) 13.935 9.931 ( 6.999 8.381 5.666) 12.302 10.064 ( 4.333 5.515 -7.813) 10.499 10.496 ( -6.079 1.405 1.188) 6.352 10.511 ( -5.589 2.424 1.064) 6.184 10.642 ( -0.212 -0.217 -0.309) 0.433 10.669 ( 3.435 2.292 -2.314) 4.733 11.259 ( -4.511 -3.718 23.828) 24.535 11.597 ( 4.660 1.467 3.739) 6.153 11.729 ( 0.751 1.952 1.201) 2.412 11.961 ( -5.021 -1.331 7.921) 9.472 12.120 ( 3.918 -1.224 -15.576) 16.108 12.146 ( -2.086 2.399 -14.865) 15.201 12.373 ( 2.039 -3.882 2.959) 5.290 12.416 ( 3.374 -1.897 -1.454) 4.135 13.926 ( 2.005 -1.783 13.543) 13.806 14.221 ( 3.114 -0.917 -16.703) 17.016 14.676 ( -7.028 -2.036 10.862) 13.097 14.872 ( -5.573 -0.636 -9.125) 10.711 15.262 ( -3.148 0.662 10.516) 10.997 15.515 ( -3.848 -1.443 -15.335) 15.876 16.907 ( -1.862 -5.463 14.295) 15.416 17.150 ( -1.428 -5.024 -10.418) 11.654 17.830 ( -6.365 -7.711 17.673) 20.305 18.061 ( -2.842 -3.100 3.722) 5.616 18.363 ( 5.816 8.963 -4.931) 11.768 18.624 ( 7.237 8.005 -21.156) 23.749 19.361 ( -0.864 2.206 14.606) 14.797 19.682 ( -1.852 1.272 -18.947) 19.079 21.331 ( 0.515 0.086 10.854) 10.866 21.478 ( 0.252 -0.176 -5.244) 5.253 ======================= Grid point 221 (73/84) ======================= q-point: (-0.38 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( -9.191 1.892 2.290) 9.659 1.452 ( -11.547 0.481 -2.510) 11.826 2.238 ( -9.957 7.384 11.424) 16.858 2.446 ( -8.374 5.311 -5.327) 11.257 2.551 ( -12.448 8.218 5.503) 15.899 2.753 ( -12.621 7.520 -10.452) 18.030 3.098 ( 14.486 -0.692 4.742) 15.258 3.148 ( 10.164 -0.250 -0.756) 10.195 3.392 ( 6.945 -1.586 -0.107) 7.124 3.392 ( 11.095 2.502 -0.140) 11.375 3.686 ( -2.231 -2.513 11.212) 11.705 3.838 ( 2.240 -7.227 -4.866) 8.996 4.018 ( 6.554 -9.472 10.471) 15.566 4.179 ( 2.497 -6.425 0.294) 6.899 4.218 ( -4.223 7.338 11.743) 14.476 4.372 ( -5.866 -5.234 -7.164) 10.636 4.456 ( -5.709 -0.340 2.544) 6.259 4.649 ( -3.756 -3.390 -8.010) 9.474 4.947 ( -1.475 -2.792 8.610) 9.171 5.083 ( -1.204 5.616 -6.707) 8.830 5.541 ( -5.651 3.521 10.684) 12.589 5.693 ( -7.827 2.513 -4.457) 9.351 5.943 ( 10.942 4.426 13.377) 17.840 6.150 ( 6.692 1.088 0.056) 6.780 6.237 ( 8.024 -2.597 -4.634) 9.624 6.396 ( 5.055 2.251 -24.791) 25.401 7.599 ( -2.660 0.784 12.717) 13.016 7.843 ( -3.566 0.898 -8.325) 9.101 7.910 ( -3.000 1.541 -1.534) 3.705 8.003 ( -4.335 3.184 -6.428) 8.382 8.942 ( 4.268 -8.562 12.997) 16.138 9.138 ( 4.879 -5.428 -6.971) 10.093 9.387 ( 4.772 0.010 16.536) 17.211 9.437 ( 7.990 -8.553 12.349) 17.014 9.661 ( 4.186 -0.430 -4.614) 6.245 9.802 ( 5.204 -0.811 -12.901) 13.935 9.941 ( 5.310 6.946 5.005) 10.074 10.069 ( 3.154 4.117 -8.013) 9.545 10.310 ( -9.398 7.922 -0.298) 12.295 10.322 ( -8.593 7.178 -1.538) 11.301 10.582 ( -3.826 4.376 -0.254) 5.818 10.610 ( -5.723 0.576 -2.603) 6.313 11.245 ( 0.397 0.169 21.318) 21.323 11.576 ( -2.761 2.788 -13.247) 13.816 11.704 ( 3.089 9.095 21.397) 23.454 11.948 ( -2.829 -5.966 9.984) 11.970 12.137 ( 0.917 -2.801 -14.243) 14.545 12.240 ( 6.427 0.363 -19.157) 20.209 12.509 ( 4.330 -9.824 2.759) 11.085 12.557 ( 5.942 -8.920 -1.862) 10.878 14.005 ( 4.534 -2.369 15.590) 16.408 14.310 ( 5.862 -0.992 -15.434) 16.540 14.604 ( -5.656 -4.906 11.004) 13.309 14.816 ( -3.109 -2.872 -9.873) 10.742 15.165 ( -7.187 1.411 9.948) 12.353 15.414 ( -8.723 0.758 -15.411) 17.724 16.985 ( 1.342 -9.048 14.621) 17.246 17.227 ( 1.873 -7.983 -9.586) 12.615 17.815 ( -7.321 -8.726 15.813) 19.489 18.055 ( -3.292 -4.148 -0.409) 5.311 18.366 ( 6.941 8.638 0.108) 11.082 18.665 ( 9.042 7.845 -21.159) 24.311 19.269 ( -4.723 5.769 13.471) 15.397 19.576 ( -6.572 5.433 -18.526) 20.394 21.340 ( 0.741 -0.001 10.779) 10.804 21.488 ( 0.540 -0.352 -5.337) 5.376 ======================= Grid point 222 (74/84) ======================= q-point: (-0.25 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( -10.467 1.935 1.786) 10.793 1.240 ( -11.334 1.120 -1.421) 11.477 2.011 ( -6.223 6.334 19.348) 21.288 2.147 ( -11.516 9.593 17.374) 22.946 2.398 ( -4.157 -1.133 -19.630) 20.097 2.478 ( -10.232 4.701 -15.830) 19.426 3.287 ( 11.126 6.179 6.951) 14.502 3.335 ( 7.414 -5.945 3.495) 10.125 3.477 ( 0.232 -5.216 0.195) 5.225 3.499 ( 5.885 5.305 -1.980) 8.167 3.669 ( -2.822 -3.384 12.084) 12.862 3.893 ( -3.564 16.175 23.480) 28.734 3.929 ( -1.288 3.974 -1.484) 4.433 4.212 ( 4.149 -7.951 13.491) 16.200 4.349 ( 2.922 -5.462 -0.256) 6.200 4.425 ( -1.032 -9.252 -4.883) 10.513 4.486 ( -2.457 -5.001 -14.495) 15.529 4.565 ( -4.169 -4.764 -15.308) 16.565 5.041 ( 7.401 -4.665 7.349) 11.426 5.122 ( 8.962 0.158 -2.425) 9.285 5.404 ( -6.685 1.934 8.080) 10.664 5.517 ( -10.614 1.419 -3.710) 11.333 5.969 ( 2.810 9.300 14.996) 17.868 6.226 ( 5.243 4.241 0.574) 6.768 6.339 ( 3.374 1.546 -5.953) 7.015 6.455 ( 4.503 1.239 -21.891) 22.383 7.543 ( -2.161 1.682 12.261) 12.563 7.780 ( -1.869 2.198 -10.026) 10.433 7.819 ( -3.809 4.238 0.455) 5.716 7.902 ( -3.147 1.425 -5.622) 6.598 9.115 ( 2.947 -9.144 12.982) 16.151 9.307 ( 4.630 -8.397 -7.114) 11.940 9.468 ( 5.100 1.001 18.876) 19.578 9.674 ( 5.367 -8.921 13.861) 17.335 9.705 ( 6.090 4.176 -4.249) 8.519 9.851 ( 0.653 4.100 -0.704) 4.211 9.976 ( 0.805 1.260 -8.186) 8.321 10.003 ( -5.764 2.790 -11.899) 13.513 10.136 ( 2.126 7.665 1.874) 8.172 10.172 ( 5.232 5.742 -1.266) 7.871 10.443 ( -8.203 1.452 -0.385) 8.339 10.503 ( -9.270 -3.636 -5.258) 11.261 11.266 ( 3.902 2.838 14.447) 15.231 11.486 ( -2.079 4.924 -9.659) 11.039 11.618 ( -0.674 8.992 22.270) 24.027 11.973 ( -1.048 -3.339 0.178) 3.505 12.179 ( 0.984 -0.460 -11.266) 11.318 12.308 ( 2.202 -0.911 -13.526) 13.735 12.720 ( 4.301 -13.076 3.598) 14.228 12.780 ( 4.863 -12.266 -2.613) 13.451 14.109 ( 3.134 -3.319 17.935) 18.506 14.415 ( 5.302 -0.672 -11.434) 12.621 14.622 ( -0.287 -6.591 9.332) 11.428 14.851 ( 4.076 -1.712 -9.408) 10.395 15.002 ( -9.091 2.525 6.608) 11.519 15.223 ( -12.017 1.960 -14.351) 18.820 17.163 ( 4.102 -13.770 15.017) 20.784 17.407 ( 6.037 -12.313 -8.672) 16.225 17.786 ( -8.795 -8.964 13.764) 18.632 18.041 ( -3.753 -3.318 -4.963) 7.052 18.382 ( 6.156 8.026 6.947) 12.271 18.739 ( 10.771 7.634 -21.199) 24.973 19.081 ( -6.954 9.459 9.858) 15.330 19.339 ( -10.293 11.074 -16.424) 22.323 21.355 ( 0.719 -0.479 10.570) 10.605 21.502 ( 0.522 -0.582 -5.520) 5.575 ======================= Grid point 223 (75/84) ======================= q-point: (-0.12 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( -0.000 2.257 2.693) 3.514 1.124 ( -0.000 0.747 -1.510) 1.685 1.920 ( -0.000 1.177 27.077) 27.102 1.946 ( -0.000 6.571 22.474) 23.415 2.332 ( -0.000 3.320 -18.599) 18.893 2.415 ( 0.000 -4.948 -25.623) 26.096 3.291 ( -0.000 9.237 10.680) 14.120 3.461 ( -0.000 7.445 -6.657) 9.987 3.472 ( 0.000 -3.958 13.322) 13.897 3.575 ( 0.000 -11.028 -0.399) 11.035 3.603 ( -0.000 19.606 41.259) 45.680 3.697 ( 0.000 -5.895 5.378) 7.980 3.914 ( -0.000 2.378 -12.417) 12.643 4.324 ( -0.000 7.895 -27.214) 28.336 4.343 ( 0.000 -3.716 13.564) 14.064 4.464 ( 0.000 -7.728 3.213) 8.369 4.517 ( 0.000 -6.975 -2.469) 7.399 4.696 ( 0.000 -12.771 -16.666) 20.997 5.243 ( 0.000 -6.518 13.153) 14.679 5.256 ( -0.000 5.326 -0.881) 5.399 5.262 ( -0.000 4.808 -1.649) 5.083 5.380 ( 0.000 -6.703 -1.797) 6.939 5.869 ( -0.000 9.845 19.156) 21.538 6.213 ( -0.000 4.798 0.606) 4.836 6.332 ( -0.000 3.958 -9.329) 10.134 6.487 ( -0.000 0.445 -19.383) 19.388 7.501 ( -0.000 1.852 11.938) 12.081 7.723 ( -0.000 5.163 7.166) 8.832 7.736 ( -0.000 2.589 -12.898) 13.155 7.875 ( 0.000 -0.473 -8.706) 8.719 9.220 ( 0.000 -5.166 14.007) 14.929 9.416 ( 0.000 -2.137 -2.426) 3.233 9.519 ( 0.000 -2.202 14.611) 14.776 9.699 ( -0.000 3.785 4.585) 5.945 9.812 ( -0.000 0.654 0.254) 0.702 9.817 ( -0.000 0.235 -0.683) 0.723 9.898 ( 0.000 -1.077 -7.718) 7.793 9.929 ( -0.000 4.761 -8.720) 9.935 10.171 ( -0.000 2.608 4.728) 5.399 10.262 ( 0.000 -1.753 9.760) 9.916 10.313 ( 0.000 -1.790 -10.584) 10.734 10.453 ( 0.000 -5.518 -9.910) 11.342 11.280 ( -0.000 2.322 7.361) 7.719 11.409 ( -0.000 4.951 -6.412) 8.101 11.499 ( -0.000 8.346 24.947) 26.306 11.973 ( -0.000 2.037 -18.058) 18.172 12.198 ( 0.000 -2.714 0.310) 2.732 12.343 ( 0.000 -2.035 -9.548) 9.762 12.913 ( 0.000 -12.038 2.795) 12.358 12.959 ( 0.000 -10.338 -2.058) 10.541 14.172 ( 0.000 -3.541 18.241) 18.582 14.468 ( -0.000 0.382 -11.419) 11.426 14.728 ( 0.000 -7.141 12.064) 14.019 14.825 ( -0.000 4.429 8.739) 9.797 14.997 ( -0.000 4.390 -9.650) 10.602 15.021 ( 0.000 -2.527 -17.273) 17.457 17.397 ( 0.000 -16.407 16.263) 23.102 17.689 ( 0.000 -18.012 -14.869) 23.356 17.752 ( 0.000 -6.615 16.283) 17.575 18.020 ( 0.000 -0.447 -7.836) 7.849 18.350 ( -0.000 8.140 15.563) 17.563 18.819 ( -0.000 3.980 -29.247) 29.517 18.855 ( -0.000 12.023 9.906) 15.578 19.050 ( -0.000 16.055 -10.743) 19.318 21.371 ( 0.000 -0.851 10.140) 10.175 21.514 ( 0.000 -0.591 -5.585) 5.616 ======================= Grid point 226 (76/84) ======================= q-point: ( 0.25 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( 0.292 0.000 -2.010) 2.031 1.638 ( 2.244 0.000 -2.176) 3.126 2.299 ( -1.963 -0.000 7.582) 7.832 2.386 ( 0.094 0.000 -0.886) 0.891 2.579 ( 13.900 0.000 7.618) 15.850 2.606 ( 10.730 0.000 8.402) 13.629 2.948 ( 11.158 0.000 -10.046) 15.014 2.964 ( 13.237 0.000 -7.986) 15.459 3.342 ( -3.772 -0.000 3.823) 5.371 3.372 ( -6.303 -0.000 0.112) 6.304 3.626 ( -1.806 -0.000 2.748) 3.288 3.626 ( -4.169 -0.000 2.494) 4.858 4.206 ( -9.315 -0.000 8.174) 12.392 4.228 ( -14.808 -0.000 2.691) 15.050 4.394 ( -4.731 -0.000 6.460) 8.007 4.434 ( 1.147 0.000 10.099) 10.163 4.525 ( -7.984 -0.000 -6.772) 10.469 4.727 ( 1.054 0.000 -17.809) 17.840 5.290 ( 16.243 0.000 14.397) 21.705 5.464 ( -5.470 -0.000 11.392) 12.637 5.535 ( 6.555 0.000 -7.380) 9.871 5.637 ( 7.006 0.000 -11.980) 13.878 5.655 ( 2.563 0.000 28.951) 29.064 5.885 ( 0.879 0.000 1.954) 2.143 5.978 ( -8.274 -0.000 -8.775) 12.061 6.252 ( 2.348 0.000 -31.854) 31.941 7.649 ( 0.171 0.000 12.492) 12.494 7.906 ( 2.166 0.000 -11.572) 11.773 7.970 ( -0.449 -0.000 1.960) 2.010 7.993 ( 3.704 0.000 -3.142) 4.857 8.793 ( -6.877 -0.000 13.745) 15.369 9.017 ( -5.093 -0.000 -10.096) 11.308 9.228 ( -3.311 -0.000 18.885) 19.173 9.478 ( -4.974 -0.000 9.649) 10.856 9.531 ( -1.939 -0.000 -12.753) 12.899 9.653 ( -0.126 -0.000 -7.804) 7.805 10.062 ( 11.053 0.000 -0.321) 11.058 10.074 ( 9.505 0.000 -1.166) 9.576 10.342 ( 8.513 0.000 1.429) 8.632 10.379 ( 14.474 0.000 -2.379) 14.668 10.595 ( -2.730 -0.000 2.619) 3.783 10.673 ( -4.726 -0.000 -4.174) 6.306 11.248 ( -6.071 -0.000 25.983) 26.683 11.524 ( 8.422 0.000 22.568) 24.089 11.686 ( -0.320 -0.000 -20.308) 20.311 11.964 ( 5.223 0.000 -21.490) 22.116 12.225 ( -1.993 -0.000 1.700) 2.620 12.290 ( -1.548 -0.000 -3.482) 3.810 12.405 ( -11.967 -0.000 5.209) 13.051 12.472 ( -8.984 -0.000 -1.139) 9.056 13.882 ( -1.603 -0.000 14.524) 14.612 14.192 ( -1.980 -0.000 -17.070) 17.185 14.768 ( -5.156 -0.000 11.359) 12.475 15.003 ( -4.930 -0.000 -13.812) 14.666 15.288 ( 1.399 0.000 7.781) 7.906 15.456 ( 1.480 0.000 -10.078) 10.186 16.884 ( -7.278 -0.000 12.861) 14.778 17.115 ( -6.363 -0.000 -11.373) 13.032 17.783 ( -5.124 -0.000 21.342) 21.948 18.066 ( -3.569 -0.000 4.521) 5.760 18.472 ( 3.567 0.000 -7.795) 8.572 18.718 ( 6.066 0.000 -20.080) 20.976 19.341 ( 5.253 0.000 13.725) 14.696 19.644 ( 4.895 0.000 -17.704) 18.368 21.326 ( 0.101 0.000 10.958) 10.958 21.475 ( -0.280 -0.000 -5.348) 5.355 ======================= Grid point 227 (77/84) ======================= q-point: ( 0.38 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( -5.327 0.763 -0.519) 5.407 1.618 ( -3.568 1.847 -3.421) 5.277 2.373 ( 6.040 -2.838 6.430) 9.267 2.487 ( 7.498 -1.752 -4.105) 8.726 2.735 ( 6.041 0.398 7.950) 9.992 2.826 ( 9.909 -5.194 0.052) 11.188 3.100 ( 5.642 1.711 -0.469) 5.914 3.191 ( 9.025 -1.385 -7.599) 11.879 3.246 ( -3.520 6.396 2.593) 7.747 3.277 ( 3.487 4.622 -0.129) 5.792 3.605 ( -0.252 -2.343 6.960) 7.348 3.691 ( 6.871 -2.340 -1.335) 7.380 3.888 ( -16.963 4.604 6.489) 18.736 3.991 ( -13.482 -2.386 -4.118) 14.297 4.320 ( -8.263 -2.636 4.914) 9.968 4.353 ( -8.888 -6.590 2.844) 11.424 4.497 ( -2.770 -1.764 4.136) 5.281 4.656 ( -7.854 1.902 -11.615) 14.149 5.330 ( -2.165 10.417 10.461) 14.921 5.371 ( -0.755 8.422 10.980) 13.858 5.677 ( 6.141 -6.782 -1.836) 9.331 5.734 ( 8.833 3.521 12.498) 15.704 5.831 ( 9.104 0.335 2.889) 9.557 5.876 ( -3.492 -3.388 0.080) 4.866 5.975 ( 6.693 -6.144 -7.485) 11.772 6.322 ( 5.464 -0.485 -29.038) 29.552 7.640 ( -1.244 -0.083 13.766) 13.822 7.919 ( -1.096 0.533 -12.451) 12.510 7.951 ( -1.517 -0.599 2.270) 2.796 8.038 ( 0.707 -1.323 -4.548) 4.789 8.738 ( -1.717 -1.932 14.584) 14.811 8.979 ( -0.766 -1.666 -10.642) 10.799 9.208 ( 1.036 -0.515 17.860) 17.898 9.412 ( -0.167 3.144 10.473) 10.936 9.519 ( 0.456 -2.682 -9.169) 9.564 9.698 ( 3.548 -0.793 -13.261) 13.750 10.118 ( 4.733 6.477 1.679) 8.196 10.170 ( 2.033 2.436 -3.553) 4.763 10.521 ( -3.160 0.210 1.624) 3.559 10.535 ( 0.100 1.302 2.142) 2.509 10.592 ( 2.497 -3.347 1.184) 4.340 10.678 ( 15.373 -1.130 -5.351) 16.317 11.185 ( -2.016 -1.884 27.343) 27.481 11.624 ( 3.656 1.679 5.360) 6.702 11.688 ( 1.218 -3.296 -4.880) 6.014 11.996 ( -3.399 1.400 -5.085) 6.274 12.139 ( -5.835 2.954 -3.705) 7.517 12.187 ( -4.767 -0.217 -6.503) 8.066 12.322 ( -0.572 -0.849 3.435) 3.585 12.414 ( 1.834 0.793 -5.225) 5.594 13.887 ( 1.362 -1.107 14.161) 14.270 14.190 ( 1.065 -1.171 -16.526) 16.602 14.653 ( -8.064 -0.220 10.891) 13.553 14.883 ( -7.634 0.959 -13.436) 15.483 15.271 ( -3.309 0.117 8.404) 9.033 15.459 ( -3.190 -2.264 -11.473) 12.121 16.802 ( -4.538 -2.739 13.617) 14.613 17.048 ( -3.812 -2.784 -12.284) 13.160 17.722 ( -3.973 -1.992 21.377) 21.834 18.019 ( -2.705 -0.779 0.718) 2.905 18.508 ( 3.483 3.274 -4.090) 6.291 18.783 ( 5.531 4.273 -21.819) 22.911 19.397 ( 1.922 0.848 14.276) 14.430 19.696 ( 1.278 0.131 -16.862) 16.911 21.332 ( 0.630 0.044 10.620) 10.639 21.475 ( 0.160 -0.090 -4.937) 4.940 ======================= Grid point 228 (78/84) ======================= q-point: (-0.50 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( -11.293 0.412 0.802) 11.329 1.483 ( -9.170 2.819 -3.262) 10.134 2.420 ( 0.518 7.796 6.024) 9.866 2.547 ( 0.476 4.987 -6.909) 8.534 2.752 ( -6.839 2.224 10.581) 12.793 2.903 ( -5.839 4.691 -0.954) 7.550 3.094 ( -2.119 3.608 -3.260) 5.305 3.121 ( 2.389 2.153 -2.313) 3.962 3.318 ( 4.608 -6.313 2.541) 8.219 3.362 ( 6.036 -5.778 -0.200) 8.358 3.667 ( -4.733 -2.492 5.922) 7.980 3.700 ( 8.959 -1.160 2.075) 9.269 3.880 ( 9.329 -2.219 2.332) 9.869 3.962 ( 1.504 -6.257 -5.879) 8.716 4.204 ( -8.372 -3.635 7.470) 11.795 4.333 ( -4.160 -5.395 -1.459) 6.967 4.474 ( -8.049 -3.278 -2.589) 9.069 4.480 ( -6.557 -4.217 -1.964) 8.040 5.139 ( 0.201 17.203 14.414) 22.444 5.265 ( -0.446 6.343 3.917) 7.469 5.626 ( -6.128 3.812 1.832) 7.446 5.760 ( -3.736 4.784 -9.598) 11.357 6.001 ( 14.834 0.033 14.278) 20.589 6.032 ( 4.139 -9.410 10.148) 14.445 6.180 ( 9.130 -3.690 -9.742) 13.852 6.426 ( 6.540 0.433 -24.703) 25.558 7.613 ( -1.675 0.420 14.157) 14.262 7.867 ( -2.767 1.354 -3.550) 4.700 7.929 ( -2.338 -0.049 -6.233) 6.657 8.033 ( -2.989 -0.482 -7.774) 8.343 8.773 ( 1.156 -5.167 15.500) 16.379 9.021 ( 1.242 -4.430 -10.154) 11.148 9.293 ( 6.409 -3.589 16.353) 17.927 9.416 ( 4.580 2.534 12.453) 13.508 9.610 ( 5.424 -3.755 -6.700) 9.403 9.771 ( 4.160 -0.705 -13.094) 13.757 10.086 ( -1.299 4.623 1.657) 5.080 10.138 ( -1.418 2.322 -4.131) 4.947 10.391 ( -9.179 0.442 0.735) 9.218 10.421 ( -7.418 1.214 -2.556) 7.939 10.685 ( 2.954 6.778 6.680) 9.965 10.807 ( 5.286 8.686 -5.358) 11.493 11.240 ( 5.672 -0.487 22.924) 23.620 11.626 ( 0.242 1.608 -15.684) 15.769 11.799 ( 1.309 -5.450 17.004) 17.904 11.884 ( -0.496 4.574 13.990) 14.727 12.033 ( -4.597 -3.300 -7.588) 9.466 12.226 ( 4.326 -3.429 -13.652) 14.725 12.342 ( -0.278 -4.107 2.141) 4.639 12.453 ( 2.661 0.351 -10.541) 10.877 13.947 ( 3.380 -2.227 15.183) 15.713 14.252 ( 2.823 -3.586 -15.815) 16.461 14.538 ( -5.900 -0.902 11.300) 12.779 14.777 ( -3.532 -0.401 -13.548) 14.006 15.183 ( -7.028 0.087 8.794) 11.258 15.392 ( -8.171 -2.178 -13.163) 15.645 16.796 ( -2.499 -6.277 14.183) 15.710 17.051 ( -2.072 -6.106 -12.624) 14.175 17.690 ( -3.515 -2.625 20.962) 21.416 17.994 ( -1.940 -1.442 -1.816) 3.023 18.521 ( 3.861 4.534 -1.315) 6.099 18.822 ( 6.256 5.070 -22.998) 24.367 19.380 ( -0.907 3.603 14.312) 14.786 19.675 ( -1.779 3.067 -16.489) 16.866 21.343 ( 0.720 0.153 10.372) 10.398 21.481 ( 0.372 -0.208 -4.736) 4.755 ======================= Grid point 229 (79/84) ======================= q-point: (-0.38 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( -11.469 0.399 1.859) 11.626 1.281 ( -9.930 2.778 -2.592) 10.632 2.253 ( -2.843 14.060 8.664) 16.759 2.419 ( -6.636 11.437 0.869) 13.252 2.469 ( -8.047 9.015 -0.840) 12.113 2.643 ( -10.960 8.676 -8.848) 16.543 3.104 ( -0.480 -9.204 5.565) 10.766 3.218 ( 3.002 -6.069 -4.983) 8.407 3.477 ( 5.208 -3.594 8.472) 10.574 3.564 ( 7.201 -2.240 6.212) 9.770 3.691 ( 2.207 -1.414 1.017) 2.812 3.826 ( 2.925 -2.751 -6.056) 7.266 4.027 ( 1.974 -6.689 5.684) 8.997 4.092 ( 2.126 -10.673 -2.715) 11.216 4.190 ( -0.083 -6.212 4.480) 7.659 4.294 ( -2.328 0.355 -4.059) 4.692 4.345 ( -6.195 1.910 9.472) 11.478 4.528 ( -2.231 -6.924 -6.656) 9.860 5.022 ( 6.231 9.359 17.059) 20.431 5.236 ( 7.434 7.526 -3.823) 11.247 5.467 ( -7.259 3.262 2.062) 8.221 5.591 ( -9.004 5.825 -9.179) 14.116 6.128 ( 4.276 2.543 14.807) 15.621 6.220 ( 5.843 -4.520 5.346) 9.119 6.329 ( 4.753 -1.885 -6.280) 8.098 6.506 ( 4.628 2.261 -22.225) 22.814 7.579 ( -1.198 1.254 13.876) 13.984 7.819 ( -0.972 1.192 -2.604) 3.024 7.874 ( -3.119 1.467 -7.674) 8.413 7.961 ( -3.790 1.976 -7.790) 8.885 8.889 ( 2.151 -9.195 14.492) 17.298 9.118 ( 1.965 -7.443 -9.018) 11.857 9.462 ( 5.166 -4.922 18.377) 19.714 9.501 ( 8.205 -0.434 12.423) 14.894 9.751 ( 6.694 -1.390 -4.611) 8.246 9.846 ( 2.221 -1.676 -8.271) 8.726 9.973 ( -6.123 0.910 2.121) 6.544 10.077 ( -3.900 2.334 -10.686) 11.612 10.257 ( -6.403 -0.514 0.809) 6.474 10.295 ( -3.362 1.895 -2.742) 4.734 10.565 ( -2.758 11.507 5.486) 13.043 10.694 ( 0.677 17.006 -7.443) 18.576 11.333 ( 6.623 2.898 16.571) 18.079 11.595 ( 0.050 4.230 -11.379) 12.140 11.757 ( -5.625 -1.376 16.503) 17.490 11.902 ( 2.676 3.049 19.581) 19.997 12.089 ( 1.338 -7.070 -10.679) 12.877 12.361 ( 5.655 -0.968 -18.290) 19.168 12.418 ( -0.019 -9.673 1.808) 9.841 12.502 ( 0.217 -8.307 -6.760) 10.712 14.032 ( 2.570 -3.064 16.962) 17.427 14.349 ( 1.697 -5.940 -15.496) 16.682 14.505 ( 0.222 -1.992 14.403) 14.542 14.803 ( 5.077 -1.978 -15.420) 16.354 15.048 ( -8.111 1.091 7.372) 11.015 15.245 ( -11.147 -0.348 -12.946) 17.087 16.867 ( -0.678 -10.613 14.451) 17.943 17.126 ( -0.278 -10.475 -12.868) 16.595 17.663 ( -3.172 -2.364 21.005) 21.374 17.985 ( -1.368 -1.629 -4.458) 4.940 18.531 ( 3.462 4.622 2.133) 6.156 18.875 ( 6.290 3.993 -24.982) 26.069 19.286 ( -2.584 7.583 13.789) 15.947 19.564 ( -3.739 8.004 -15.432) 17.782 21.351 ( 0.499 0.091 10.335) 10.348 21.491 ( 0.329 -0.400 -4.874) 4.901 ======================= Grid point 230 (80/84) ======================= q-point: (-0.25 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( -0.000 0.750 1.629) 1.794 1.156 ( -0.000 2.444 -1.465) 2.849 2.065 ( -0.000 12.067 14.404) 18.791 2.176 ( -0.000 12.760 15.769) 20.285 2.365 ( -0.000 2.303 -17.307) 17.459 2.454 ( -0.000 7.098 -13.487) 15.241 3.239 ( 0.000 -13.478 5.258) 14.467 3.337 ( 0.000 -9.188 -3.446) 9.813 3.503 ( -0.000 6.250 10.481) 12.203 3.624 ( 0.000 -1.119 14.962) 15.004 3.664 ( -0.000 9.112 -6.317) 11.087 3.905 ( 0.000 -4.250 -12.896) 13.578 4.073 ( -0.000 9.341 26.465) 28.065 4.192 ( -0.000 1.137 8.725) 8.799 4.292 ( 0.000 -6.989 2.008) 7.272 4.294 ( 0.000 -18.308 -3.933) 18.725 4.324 ( 0.000 -7.917 -1.292) 8.022 4.532 ( -0.000 2.072 -16.520) 16.650 5.077 ( 0.000 -3.652 16.609) 17.006 5.334 ( -0.000 6.163 -11.867) 13.372 5.335 ( -0.000 1.681 1.057) 1.985 5.374 ( -0.000 3.592 -2.779) 4.542 6.099 ( -0.000 7.973 15.231) 17.192 6.297 ( 0.000 -0.235 2.394) 2.405 6.378 ( 0.000 -0.083 -3.846) 3.847 6.516 ( -0.000 2.602 -22.201) 22.353 7.549 ( -0.000 1.982 13.344) 13.490 7.806 ( -0.000 3.093 -13.923) 14.262 7.812 ( -0.000 1.084 2.730) 2.937 7.895 ( -0.000 2.879 -5.872) 6.540 9.026 ( 0.000 -10.353 13.462) 16.983 9.237 ( 0.000 -9.313 -8.355) 12.512 9.536 ( 0.000 -0.254 20.420) 20.422 9.640 ( 0.000 -6.515 15.591) 16.898 9.810 ( 0.000 -0.453 1.736) 1.794 9.842 ( -0.000 1.321 -1.208) 1.790 9.920 ( -0.000 3.525 -10.417) 10.997 10.015 ( 0.000 -0.536 -17.343) 17.352 10.215 ( 0.000 -2.132 4.672) 5.135 10.319 ( 0.000 -5.241 -6.064) 8.015 10.366 ( -0.000 14.194 4.876) 15.008 10.488 ( -0.000 16.880 -7.527) 18.482 11.355 ( -0.000 4.030 10.204) 10.971 11.536 ( -0.000 5.564 -9.021) 10.599 11.689 ( -0.000 5.132 23.131) 23.694 11.917 ( 0.000 -3.080 12.942) 13.303 12.166 ( 0.000 -3.846 -12.037) 12.637 12.358 ( -0.000 4.991 -21.341) 21.917 12.581 ( 0.000 -15.425 4.496) 16.067 12.659 ( 0.000 -14.372 -3.778) 14.860 14.090 ( 0.000 -3.356 18.591) 18.892 14.431 ( 0.000 -4.937 -17.451) 18.136 14.563 ( 0.000 -4.916 18.776) 19.409 14.925 ( -0.000 3.531 8.180) 8.909 14.939 ( 0.000 -4.079 -21.003) 21.395 15.091 ( -0.000 2.953 -9.521) 9.968 17.014 ( 0.000 -14.936 14.695) 20.953 17.281 ( 0.000 -15.510 -13.749) 20.727 17.654 ( 0.000 -2.232 21.435) 21.551 17.990 ( 0.000 -1.506 -6.438) 6.611 18.510 ( -0.000 5.256 5.762) 7.799 18.905 ( -0.000 2.909 -28.081) 28.231 19.142 ( -0.000 11.399 13.433) 17.617 19.396 ( -0.000 12.990 -13.440) 18.692 21.357 ( 0.000 -0.246 10.413) 10.416 21.499 ( 0.000 -0.604 -5.207) 5.242 ======================= Grid point 235 (81/84) ======================= q-point: ( 0.38 -0.62 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( -11.704 -0.000 2.305) 11.928 1.524 ( -9.333 -0.000 -5.865) 11.023 2.529 ( 11.748 0.000 6.105) 13.239 2.624 ( 7.994 0.000 -2.923) 8.512 2.761 ( -4.923 -0.000 8.801) 10.085 2.922 ( 5.112 0.000 -4.095) 6.550 3.125 ( -3.299 -0.000 -2.881) 4.380 3.174 ( -2.177 -0.000 -3.255) 3.916 3.224 ( -2.325 -0.000 6.132) 6.558 3.334 ( -3.553 -0.000 -5.053) 6.177 3.617 ( -14.886 -0.000 6.538) 16.258 3.668 ( -4.040 -0.000 1.423) 4.283 3.877 ( 13.911 0.000 1.813) 14.029 3.923 ( 15.964 0.000 -1.128) 16.004 4.144 ( -6.714 -0.000 6.334) 9.231 4.217 ( -4.536 -0.000 -0.760) 4.599 4.367 ( -9.776 -0.000 3.574) 10.408 4.507 ( -10.961 -0.000 -11.244) 15.703 5.289 ( -1.981 -0.000 13.088) 13.237 5.488 ( -2.977 -0.000 -7.488) 8.059 5.698 ( 5.584 0.000 21.401) 22.117 5.776 ( -3.236 -0.000 5.629) 6.493 5.893 ( 2.658 0.000 -3.735) 4.584 6.020 ( 12.487 0.000 16.380) 20.596 6.075 ( 9.497 0.000 -18.198) 20.527 6.429 ( 7.421 0.000 -24.336) 25.442 7.618 ( -1.312 -0.000 14.829) 14.887 7.900 ( -3.119 -0.000 5.827) 6.610 7.912 ( -1.104 -0.000 -15.963) 16.001 8.018 ( -2.203 -0.000 -6.450) 6.816 8.715 ( -0.019 -0.000 15.288) 15.288 8.963 ( 0.159 0.000 -10.504) 10.505 9.256 ( 5.300 0.000 16.987) 17.794 9.480 ( 5.286 0.000 15.507) 16.383 9.530 ( 3.823 0.000 -11.985) 12.580 9.765 ( 4.782 0.000 -14.041) 14.833 10.142 ( -5.283 -0.000 0.555) 5.312 10.169 ( -2.512 -0.000 -2.844) 3.795 10.390 ( -11.380 -0.000 1.709) 11.508 10.430 ( -7.081 -0.000 -3.008) 7.694 10.785 ( 12.576 0.000 7.743) 14.768 10.902 ( 8.677 0.000 -2.530) 9.038 11.234 ( 9.459 0.000 21.369) 23.369 11.650 ( 0.872 0.000 -19.942) 19.961 11.722 ( 2.953 0.000 19.402) 19.625 11.910 ( -6.115 -0.000 -1.248) 6.241 12.024 ( -5.342 -0.000 6.908) 8.733 12.171 ( -0.121 -0.000 -8.264) 8.265 12.300 ( -2.092 -0.000 3.077) 3.721 12.473 ( 3.798 0.000 -13.884) 14.394 13.919 ( 3.147 0.000 14.522) 14.859 14.200 ( 0.931 0.000 -13.787) 13.818 14.532 ( -5.637 -0.000 9.788) 11.295 14.780 ( -4.133 -0.000 -16.538) 17.047 15.180 ( -7.360 -0.000 7.951) 10.835 15.357 ( -7.465 -0.000 -11.044) 13.330 16.722 ( -3.103 -0.000 14.116) 14.453 16.978 ( -2.655 -0.000 -13.102) 13.369 17.664 ( -2.228 -0.000 22.059) 22.172 17.979 ( -1.691 -0.000 -2.085) 2.684 18.574 ( 2.502 0.000 -1.421) 2.877 18.882 ( 4.015 0.000 -24.280) 24.610 19.424 ( 0.503 0.000 14.554) 14.563 19.712 ( 0.252 0.000 -15.548) 15.550 21.345 ( 0.777 0.000 10.166) 10.195 21.479 ( 0.347 0.000 -4.448) 4.462 ======================= Grid point 237 (82/84) ======================= q-point: (-0.50 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( -11.644 0.004 4.296) 12.412 1.341 ( -10.083 1.725 -6.299) 12.013 2.597 ( -0.700 11.359 4.656) 12.296 2.632 ( -2.848 3.328 11.039) 11.877 2.673 ( 2.622 9.406 -2.711) 10.134 2.834 ( -9.313 7.253 -5.400) 12.981 3.064 ( -3.797 3.668 1.200) 5.414 3.138 ( -1.373 0.506 -4.220) 4.466 3.265 ( 1.088 -10.443 5.731) 11.962 3.352 ( 4.938 -13.101 -3.270) 14.378 3.541 ( -2.078 -6.761 5.904) 9.214 3.641 ( -2.144 -7.808 -4.775) 9.400 4.016 ( -0.836 -2.847 9.191) 9.658 4.094 ( 2.296 5.960 6.072) 8.813 4.104 ( 3.884 5.499 -2.799) 7.291 4.242 ( 2.479 -6.035 1.256) 6.645 4.315 ( -0.533 -7.222 -4.579) 8.568 4.341 ( -6.022 -1.324 -8.357) 10.386 5.293 ( 3.235 1.503 8.019) 8.777 5.395 ( 1.846 9.696 1.860) 10.044 5.573 ( -5.336 10.507 11.490) 16.459 5.826 ( -1.241 10.866 -10.776) 15.353 5.939 ( 1.906 -14.537 14.144) 20.372 6.207 ( 8.646 0.402 15.198) 17.490 6.227 ( 3.937 -6.171 -15.665) 17.291 6.536 ( 5.149 0.474 -19.212) 19.895 7.598 ( -0.825 0.392 15.124) 15.151 7.847 ( -1.702 1.134 2.822) 3.485 7.894 ( -1.466 0.180 -13.916) 13.994 7.973 ( -3.102 -0.339 -7.862) 8.459 8.739 ( 0.654 -3.370 15.744) 16.114 8.988 ( 0.522 -3.221 -10.111) 10.625 9.370 ( 6.162 -1.950 16.494) 17.715 9.555 ( 7.133 3.791 6.403) 10.308 9.659 ( 6.800 -4.958 -1.234) 8.506 9.841 ( 4.066 0.285 -9.710) 10.531 9.993 ( -11.069 0.533 5.031) 12.170 10.116 ( -2.320 1.004 -8.976) 9.325 10.227 ( -8.265 -1.100 2.787) 8.791 10.304 ( -7.433 0.072 -5.681) 9.356 10.859 ( 3.456 10.752 8.405) 14.078 10.981 ( 4.507 4.181 -2.628) 6.686 11.398 ( 9.738 2.621 14.408) 17.586 11.668 ( 1.815 1.872 -11.304) 11.601 11.703 ( -5.172 0.413 11.502) 12.618 11.896 ( -1.050 -8.104 -7.498) 11.090 12.004 ( 4.038 2.607 19.781) 20.356 12.187 ( -1.025 -5.331 -0.900) 5.503 12.268 ( -2.973 -4.009 0.059) 4.992 12.513 ( 2.013 2.101 -20.599) 20.803 13.978 ( 2.581 -1.365 14.398) 14.691 14.222 ( -0.461 -3.424 -10.411) 10.969 14.486 ( -0.115 -0.335 9.925) 9.931 14.777 ( 3.539 -0.350 -19.395) 19.719 15.052 ( -7.594 -0.305 7.143) 10.430 15.221 ( -9.358 -1.008 -10.972) 14.456 16.703 ( -1.627 -3.512 14.443) 14.952 16.963 ( -1.463 -3.458 -13.341) 13.860 17.639 ( -1.235 -0.295 22.072) 22.108 17.961 ( -0.841 -0.499 -3.571) 3.702 18.599 ( 1.691 1.404 0.198) 2.207 18.930 ( 2.886 1.057 -25.954) 26.135 19.409 ( -0.421 2.807 14.962) 15.229 19.694 ( -0.550 2.949 -15.081) 15.377 21.355 ( 0.503 0.133 9.920) 9.934 21.485 ( 0.271 -0.120 -4.240) 4.251 ======================= Grid point 238 (83/84) ======================= q-point: (-0.38 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( -0.000 0.040 4.290) 4.290 1.220 ( -0.000 2.649 -5.040) 5.694 2.446 ( -0.000 19.229 4.571) 19.764 2.464 ( -0.000 9.313 10.729) 14.207 2.557 ( -0.000 14.050 -6.937) 15.669 2.631 ( -0.000 7.072 -6.235) 9.428 3.013 ( 0.000 -3.206 6.901) 7.609 3.168 ( 0.000 -4.598 -8.364) 9.545 3.437 ( 0.000 -12.241 12.130) 17.234 3.585 ( 0.000 -3.209 9.191) 9.735 3.631 ( 0.000 -18.377 -7.121) 19.709 3.724 ( 0.000 -9.600 -5.560) 11.094 4.009 ( -0.000 4.721 4.089) 6.246 4.077 ( 0.000 -8.659 8.148) 11.890 4.092 ( -0.000 1.554 -3.399) 3.737 4.262 ( 0.000 -0.124 -10.861) 10.862 4.328 ( 0.000 -1.064 7.827) 7.899 4.437 ( 0.000 -7.499 -3.593) 8.315 5.274 ( -0.000 19.236 23.059) 30.029 5.341 ( 0.000 -0.677 4.007) 4.064 5.420 ( -0.000 0.659 -4.155) 4.207 5.637 ( -0.000 16.309 -15.224) 22.310 6.101 ( 0.000 -9.848 12.294) 15.752 6.269 ( -0.000 0.903 11.851) 11.886 6.328 ( 0.000 -4.796 -10.270) 11.334 6.570 ( -0.000 1.374 -18.458) 18.509 7.583 ( -0.000 0.934 14.812) 14.841 7.824 ( -0.000 0.735 3.848) 3.918 7.865 ( -0.000 1.802 -15.006) 15.113 7.942 ( -0.000 0.612 -8.345) 8.367 8.809 ( 0.000 -7.238 15.283) 16.910 9.050 ( 0.000 -6.298 -9.657) 11.529 9.460 ( 0.000 -3.685 17.622) 18.003 9.605 ( -0.000 1.741 6.041) 6.287 9.792 ( 0.000 -0.943 4.436) 4.535 9.866 ( 0.000 -4.290 1.769) 4.641 9.870 ( -0.000 0.971 -3.611) 3.740 10.077 ( -0.000 2.883 -17.295) 17.533 10.169 ( 0.000 -1.769 2.328) 2.924 10.238 ( 0.000 -1.672 -4.716) 5.003 10.723 ( -0.000 15.220 9.190) 17.779 10.905 ( -0.000 14.885 -9.399) 17.604 11.457 ( -0.000 4.407 11.639) 12.446 11.648 ( 0.000 -3.684 19.491) 19.836 11.651 ( -0.000 4.048 -8.846) 9.728 11.956 ( 0.000 -1.155 -1.364) 1.788 12.042 ( 0.000 -2.180 11.733) 11.934 12.262 ( 0.000 -10.774 4.463) 11.661 12.349 ( 0.000 -11.465 -4.515) 12.322 12.487 ( -0.000 4.687 -23.638) 24.098 14.022 ( 0.000 -2.349 15.173) 15.354 14.274 ( 0.000 -6.376 -9.284) 11.263 14.507 ( 0.000 -1.242 11.340) 11.407 14.856 ( 0.000 -2.695 -22.829) 22.987 14.973 ( -0.000 0.741 6.993) 7.032 15.123 ( -0.000 0.072 -9.027) 9.028 16.752 ( 0.000 -7.433 14.488) 16.283 17.014 ( 0.000 -7.429 -13.435) 15.353 17.630 ( 0.000 -0.265 22.182) 22.184 17.962 ( 0.000 -0.845 -4.717) 4.792 18.594 ( -0.000 2.241 1.739) 2.837 18.948 ( -0.000 0.933 -27.191) 27.207 19.350 ( -0.000 6.260 14.948) 16.206 19.628 ( -0.000 6.922 -14.569) 16.130 21.357 ( -0.000 0.188 9.996) 9.998 21.489 ( 0.000 -0.274 -4.425) 4.433 ======================= Grid point 246 (84/84) ======================= q-point: (-0.50 0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.61e-05 6.61e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( 0.000 -0.000 5.874) 5.874 1.255 ( 0.000 -0.000 -7.300) 7.300 2.541 ( 0.000 -0.000 13.756) 13.756 2.725 ( 0.000 -0.000 -4.529) 4.529 2.799 ( -0.000 0.000 2.763) 2.763 2.846 ( -0.000 0.000 -0.976) 0.976 3.074 ( -0.000 0.000 0.007) 0.007 3.107 ( 0.000 -0.000 -3.338) 3.338 3.191 ( 0.000 -0.000 3.489) 3.489 3.228 ( 0.000 -0.000 -0.265) 0.265 3.503 ( 0.000 -0.000 2.199) 2.199 3.586 ( 0.000 -0.000 -5.638) 5.638 3.969 ( 0.000 -0.000 16.022) 16.022 4.113 ( 0.000 -0.000 1.519) 1.519 4.149 ( -0.000 0.000 -2.143) 2.143 4.265 ( 0.000 -0.000 -15.267) 15.267 4.285 ( 0.000 -0.000 1.663) 1.663 4.308 ( 0.000 -0.000 -0.628) 0.628 5.329 ( 0.000 -0.000 5.424) 5.424 5.424 ( 0.000 -0.000 -4.598) 4.598 5.729 ( -0.000 0.000 10.982) 10.982 5.772 ( 0.000 -0.000 23.186) 23.186 5.903 ( 0.000 -0.000 -5.586) 5.586 6.209 ( 0.000 -0.000 -20.874) 20.874 6.282 ( 0.000 -0.000 14.950) 14.950 6.583 ( 0.000 -0.000 -16.687) 16.687 7.593 ( 0.000 -0.000 15.441) 15.441 7.838 ( 0.000 -0.000 3.155) 3.155 7.886 ( 0.000 -0.000 -15.483) 15.483 7.942 ( 0.000 -0.000 -7.512) 7.512 8.723 ( 0.000 -0.000 15.865) 15.865 8.972 ( 0.000 -0.000 -9.996) 9.996 9.417 ( 0.000 -0.000 16.206) 16.206 9.644 ( 0.000 -0.000 -8.245) 8.245 9.779 ( 0.000 -0.000 5.631) 5.631 9.800 ( 0.000 -0.000 16.463) 16.463 9.882 ( 0.000 -0.000 -5.328) 5.328 10.111 ( 0.000 -0.000 -17.055) 17.055 10.146 ( 0.000 -0.000 2.885) 2.885 10.223 ( 0.000 -0.000 -5.043) 5.043 10.989 ( -0.000 0.000 4.678) 4.678 11.011 ( 0.000 -0.000 4.238) 4.238 11.521 ( 0.000 -0.000 11.833) 11.833 11.666 ( 0.000 -0.000 4.965) 4.965 11.700 ( 0.000 -0.000 -6.630) 6.630 11.816 ( 0.000 -0.000 -8.014) 8.014 12.076 ( 0.000 -0.000 25.686) 25.686 12.139 ( 0.000 -0.000 1.425) 1.425 12.191 ( 0.000 -0.000 -3.481) 3.481 12.544 ( 0.000 -0.000 -22.896) 22.896 13.993 ( 0.000 -0.000 13.039) 13.039 14.194 ( 0.000 -0.000 -8.470) 8.470 14.492 ( 0.000 -0.000 10.583) 10.583 14.825 ( 0.000 -0.000 -23.251) 23.251 14.978 ( 0.000 -0.000 6.355) 6.355 15.119 ( 0.000 -0.000 -8.744) 8.744 16.668 ( 0.000 -0.000 14.577) 14.577 16.931 ( 0.000 -0.000 -13.418) 13.418 17.628 ( 0.000 -0.000 22.114) 22.114 17.952 ( 0.000 -0.000 -3.832) 3.832 18.619 ( 0.000 -0.000 0.422) 0.422 18.957 ( 0.000 -0.000 -26.802) 26.802 19.423 ( 0.000 -0.000 15.409) 15.409 19.709 ( 0.000 -0.000 -14.906) 14.906 21.360 ( 0.000 -0.000 9.740) 9.740 21.486 ( 0.000 -0.000 -4.037) 4.037 =================== 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 10.0 218.108 250.057 390.366 0.000 0.000 -0.000 3/29568 20.0 42.157 71.465 86.172 0.000 0.000 -0.000 3/29568 30.0 18.439 36.018 39.682 0.000 0.000 -0.000 3/29568 40.0 11.153 22.645 23.597 0.000 0.000 -0.000 3/29568 50.0 7.944 16.151 16.494 0.000 0.000 -0.000 3/29568 60.0 6.200 12.479 12.729 0.000 0.000 -0.000 3/29568 70.0 5.115 10.156 10.436 0.000 0.000 -0.000 3/29568 80.0 4.375 8.562 8.897 0.000 0.000 -0.000 3/29568 90.0 3.837 7.402 7.788 0.000 0.000 -0.000 3/29568 100.0 3.427 6.523 6.950 0.000 0.000 -0.000 3/29568 110.0 3.104 5.833 6.293 0.000 0.000 -0.000 3/29568 120.0 2.842 5.278 5.762 0.000 0.000 -0.000 3/29568 130.0 2.624 4.822 5.324 0.000 0.000 -0.000 3/29568 140.0 2.440 4.441 4.956 0.000 0.000 -0.000 3/29568 150.0 2.282 4.117 4.642 0.000 0.000 -0.000 3/29568 160.0 2.145 3.839 4.370 0.000 0.000 -0.000 3/29568 170.0 2.024 3.597 4.133 0.000 0.000 -0.000 3/29568 180.0 1.917 3.385 3.923 0.000 0.000 -0.000 3/29568 190.0 1.821 3.198 3.735 0.000 0.000 -0.000 3/29568 200.0 1.735 3.030 3.567 0.000 0.000 -0.000 3/29568 210.0 1.657 2.880 3.414 0.000 0.000 -0.000 3/29568 220.0 1.586 2.745 3.275 0.000 0.000 -0.000 3/29568 230.0 1.520 2.622 3.148 0.000 0.000 -0.000 3/29568 240.0 1.460 2.510 3.031 0.000 0.000 -0.000 3/29568 250.0 1.405 2.407 2.924 0.000 0.000 -0.000 3/29568 260.0 1.354 2.313 2.823 0.000 0.000 -0.000 3/29568 270.0 1.306 2.225 2.730 0.000 0.000 -0.000 3/29568 280.0 1.262 2.145 2.643 0.000 0.000 -0.000 3/29568 290.0 1.221 2.070 2.562 0.000 0.000 -0.000 3/29568 300.0 1.182 2.000 2.485 0.000 0.000 -0.000 3/29568 310.0 1.146 1.935 2.413 0.000 0.000 -0.000 3/29568 320.0 1.111 1.874 2.345 0.000 0.000 -0.000 3/29568 330.0 1.079 1.817 2.281 0.000 0.000 -0.000 3/29568 340.0 1.049 1.763 2.220 0.000 0.000 -0.000 3/29568 350.0 1.020 1.713 2.163 0.000 0.000 -0.000 3/29568 360.0 0.993 1.665 2.108 0.000 0.000 -0.000 3/29568 370.0 0.967 1.620 2.056 0.000 0.000 -0.000 3/29568 380.0 0.943 1.577 2.007 0.000 0.000 -0.000 3/29568 390.0 0.919 1.536 1.960 0.000 0.000 -0.000 3/29568 400.0 0.897 1.498 1.915 0.000 0.000 -0.000 3/29568 410.0 0.876 1.461 1.872 0.000 0.000 -0.000 3/29568 420.0 0.856 1.426 1.831 0.000 0.000 -0.000 3/29568 430.0 0.837 1.393 1.791 0.000 0.000 -0.000 3/29568 440.0 0.818 1.362 1.754 0.000 0.000 -0.000 3/29568 450.0 0.800 1.331 1.717 0.000 0.000 -0.000 3/29568 460.0 0.784 1.302 1.683 0.000 0.000 -0.000 3/29568 470.0 0.767 1.275 1.649 0.000 0.000 -0.000 3/29568 480.0 0.752 1.248 1.617 0.000 0.000 -0.000 3/29568 490.0 0.737 1.223 1.586 0.000 0.000 -0.000 3/29568 500.0 0.723 1.198 1.556 0.000 0.000 -0.000 3/29568 510.0 0.709 1.175 1.528 0.000 0.000 -0.000 3/29568 520.0 0.695 1.152 1.500 0.000 0.000 -0.000 3/29568 530.0 0.683 1.131 1.473 0.000 0.000 -0.000 3/29568 540.0 0.670 1.110 1.447 0.000 0.000 -0.000 3/29568 550.0 0.658 1.090 1.423 0.000 0.000 -0.000 3/29568 560.0 0.647 1.070 1.399 0.000 0.000 -0.000 3/29568 570.0 0.636 1.051 1.375 0.000 0.000 -0.000 3/29568 580.0 0.625 1.033 1.353 0.000 0.000 -0.000 3/29568 590.0 0.615 1.016 1.331 0.000 0.000 -0.000 3/29568 600.0 0.605 0.999 1.310 0.000 0.000 -0.000 3/29568 610.0 0.595 0.983 1.289 0.000 0.000 -0.000 3/29568 620.0 0.585 0.967 1.269 0.000 0.000 -0.000 3/29568 630.0 0.576 0.951 1.250 0.000 0.000 -0.000 3/29568 640.0 0.567 0.937 1.231 0.000 0.000 -0.000 3/29568 650.0 0.559 0.922 1.213 0.000 0.000 -0.000 3/29568 660.0 0.551 0.908 1.196 0.000 0.000 -0.000 3/29568 670.0 0.542 0.895 1.178 0.000 0.000 -0.000 3/29568 680.0 0.535 0.882 1.162 0.000 0.000 -0.000 3/29568 690.0 0.527 0.869 1.146 0.000 0.000 -0.000 3/29568 700.0 0.520 0.856 1.130 0.000 0.000 -0.000 3/29568 710.0 0.512 0.844 1.114 0.000 0.000 -0.000 3/29568 720.0 0.505 0.833 1.099 0.000 0.000 -0.000 3/29568 730.0 0.498 0.821 1.085 0.000 0.000 -0.000 3/29568 740.0 0.492 0.810 1.071 0.000 0.000 -0.000 3/29568 750.0 0.485 0.799 1.057 0.000 0.000 -0.000 3/29568 760.0 0.479 0.789 1.043 0.000 0.000 -0.000 3/29568 770.0 0.473 0.779 1.030 0.000 0.000 -0.000 3/29568 780.0 0.467 0.769 1.018 0.000 0.000 -0.000 3/29568 790.0 0.461 0.759 1.005 0.000 0.000 -0.000 3/29568 800.0 0.455 0.750 0.993 0.000 0.000 -0.000 3/29568 810.0 0.450 0.740 0.981 0.000 0.000 -0.000 3/29568 820.0 0.444 0.731 0.969 0.000 0.000 -0.000 3/29568 830.0 0.439 0.723 0.958 0.000 0.000 -0.000 3/29568 840.0 0.434 0.714 0.947 0.000 0.000 -0.000 3/29568 850.0 0.429 0.706 0.936 0.000 0.000 -0.000 3/29568 860.0 0.424 0.697 0.925 0.000 0.000 -0.000 3/29568 870.0 0.419 0.689 0.915 0.000 0.000 -0.000 3/29568 880.0 0.414 0.682 0.905 0.000 0.000 -0.000 3/29568 890.0 0.410 0.674 0.895 0.000 0.000 -0.000 3/29568 900.0 0.405 0.666 0.885 0.000 0.000 -0.000 3/29568 910.0 0.401 0.659 0.876 0.000 0.000 -0.000 3/29568 920.0 0.397 0.652 0.866 0.000 0.000 -0.000 3/29568 930.0 0.392 0.645 0.857 0.000 0.000 -0.000 3/29568 940.0 0.388 0.638 0.848 0.000 0.000 -0.000 3/29568 950.0 0.384 0.631 0.840 0.000 0.000 -0.000 3/29568 960.0 0.380 0.625 0.831 0.000 0.000 -0.000 3/29568 970.0 0.376 0.618 0.823 0.000 0.000 -0.000 3/29568 980.0 0.373 0.612 0.814 0.000 0.000 -0.000 3/29568 990.0 0.369 0.606 0.806 0.000 0.000 -0.000 3/29568 1000.0 0.365 0.600 0.799 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 2026-01-09 01:33:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|