# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/bcbb2aa8-167e-4381-9681-0c37acbe6894/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for Rb2CuBr3 / Pnma (62) / materials id 569531](https://mdr.nims.go.jp/datasets/2bf61fcb-97d9-497b-a10f-610f21094759) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 18:38:48]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [1 4 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pnma (62)Number of symmetry operations in supercell: 32------------------------------ primitive cell ------------------------------Lattice vectors: a 13.042521450000001 0.000000000000000 0.000000000000000 b 0.000000000000000 4.337919439999999 0.000000000000000 c 0.000000000000000 0.000000000000000 13.517134289999998Atomic positions (fractional): *1 Rb 0.48695313732989 0.75000000000000 0.82454483728213 85.468 2 Rb 0.51304686267011 0.25000000000000 0.17545516271787 85.468 *3 Rb 0.32544280704100 0.75000000000000 0.47432920067472 85.468 4 Rb 0.67455719295900 0.25000000000000 0.52567079932528 85.468 5 Rb 0.98695313732989 0.75000000000000 0.67545516271787 85.468 6 Rb 0.17455719295900 0.25000000000000 0.97432920067472 85.468 7 Rb 0.82544280704100 0.75000000000000 0.02567079932528 85.468 8 Rb 0.01304686267011 0.25000000000000 0.32454483728213 85.468 *9 Cu 0.25628865167162 0.25000000000000 0.68867861229936 63.546 10 Cu 0.75628865167162 0.25000000000000 0.81132138770064 63.546 11 Cu 0.74371134832838 0.75000000000000 0.31132138770064 63.546 12 Cu 0.24371134832838 0.75000000000000 0.18867861229936 63.546 *13 Br 0.72769563534086 0.75000000000000 0.72288835799255 79.904 14 Br 0.77230436465914 0.25000000000000 0.22288835799254 79.904 *15 Br 0.93529579688065 0.25000000000000 0.86228752183211 79.904 *16 Br 0.86203786380557 0.75000000000000 0.44963992699372 79.904 17 Br 0.27230436465914 0.25000000000000 0.27711164200745 79.904 18 Br 0.06470420311935 0.75000000000000 0.13771247816789 79.904 19 Br 0.56470420311935 0.75000000000000 0.36228752183211 79.904 20 Br 0.43529579688065 0.25000000000000 0.63771247816789 79.904 21 Br 0.22769563534086 0.75000000000000 0.77711164200745 79.904 22 Br 0.63796213619443 0.25000000000000 0.94963992699372 79.904 23 Br 0.36203786380557 0.75000000000000 0.05036007300628 79.904 24 Br 0.13796213619443 0.25000000000000 0.55036007300628 79.904-------------------------------- unit cell ---------------------------------Lattice vectors: a 13.042521450000001 0.000000000000000 0.000000000000000 b 0.000000000000000 4.337919439999999 0.000000000000000 c 0.000000000000000 0.000000000000000 13.517134289999998Atomic positions (fractional): *1 Rb 0.48695313732989 0.75000000000000 0.82454483728213 85.468 > 1 2 Rb 0.51304686267011 0.25000000000000 0.17545516271787 85.468 > 2 *3 Rb 0.32544280704100 0.75000000000000 0.47432920067472 85.468 > 3 4 Rb 0.67455719295900 0.25000000000000 0.52567079932528 85.468 > 4 5 Rb 0.98695313732989 0.75000000000000 0.67545516271787 85.468 > 5 6 Rb 0.17455719295900 0.25000000000000 0.97432920067472 85.468 > 6 7 Rb 0.82544280704100 0.75000000000000 0.02567079932528 85.468 > 7 8 Rb 0.01304686267011 0.25000000000000 0.32454483728213 85.468 > 8 *9 Cu 0.25628865167162 0.25000000000000 0.68867861229936 63.546 > 9 10 Cu 0.75628865167162 0.25000000000000 0.81132138770064 63.546 > 10 11 Cu 0.74371134832838 0.75000000000000 0.31132138770064 63.546 > 11 12 Cu 0.24371134832838 0.75000000000000 0.18867861229936 63.546 > 12 *13 Br 0.72769563534086 0.75000000000000 0.72288835799255 79.904 > 13 14 Br 0.77230436465914 0.25000000000000 0.22288835799254 79.904 > 14 *15 Br 0.93529579688065 0.25000000000000 0.86228752183211 79.904 > 15 *16 Br 0.86203786380557 0.75000000000000 0.44963992699372 79.904 > 16 17 Br 0.27230436465914 0.25000000000000 0.27711164200745 79.904 > 17 18 Br 0.06470420311935 0.75000000000000 0.13771247816789 79.904 > 18 19 Br 0.56470420311935 0.75000000000000 0.36228752183211 79.904 > 19 20 Br 0.43529579688065 0.25000000000000 0.63771247816789 79.904 > 20 21 Br 0.22769563534086 0.75000000000000 0.77711164200745 79.904 > 21 22 Br 0.63796213619443 0.25000000000000 0.94963992699372 79.904 > 22 23 Br 0.36203786380557 0.75000000000000 0.05036007300628 79.904 > 23 24 Br 0.13796213619443 0.25000000000000 0.55036007300628 79.904 > 24-------------------------------- super cell --------------------------------Lattice vectors: a 13.042521450000001 0.000000000000000 0.000000000000000 b 0.000000000000000 17.351677759999998 0.000000000000000 c 0.000000000000000 0.000000000000000 13.517134289999998Atomic positions (fractional): *1 Rb 0.48695313732989 0.18750000000000 0.82454483728213 85.468 > 1 2 Rb 0.48695313732989 0.43750000000000 0.82454483728213 85.468 > 1 3 Rb 0.48695313732989 0.68750000000000 0.82454483728213 85.468 > 1 4 Rb 0.48695313732989 0.93750000000000 0.82454483728213 85.468 > 1 5 Rb 0.51304686267011 0.06250000000000 0.17545516271787 85.468 > 2 6 Rb 0.51304686267011 0.31250000000000 0.17545516271787 85.468 > 2 7 Rb 0.51304686267011 0.56250000000000 0.17545516271787 85.468 > 2 8 Rb 0.51304686267011 0.81250000000000 0.17545516271787 85.468 > 2 *9 Rb 0.32544280704100 0.18750000000000 0.47432920067472 85.468 > 3 10 Rb 0.32544280704100 0.43750000000000 0.47432920067472 85.468 > 3 11 Rb 0.32544280704100 0.68750000000000 0.47432920067472 85.468 > 3 12 Rb 0.32544280704100 0.93750000000000 0.47432920067472 85.468 > 3 13 Rb 0.67455719295900 0.06250000000000 0.52567079932528 85.468 > 4 14 Rb 0.67455719295900 0.31250000000000 0.52567079932528 85.468 > 4 15 Rb 0.67455719295900 0.56250000000000 0.52567079932528 85.468 > 4 16 Rb 0.67455719295900 0.81250000000000 0.52567079932528 85.468 > 4 17 Rb 0.98695313732989 0.18750000000000 0.67545516271787 85.468 > 5 18 Rb 0.98695313732989 0.43750000000000 0.67545516271787 85.468 > 5 19 Rb 0.98695313732989 0.68750000000000 0.67545516271787 85.468 > 5 20 Rb 0.98695313732989 0.93750000000000 0.67545516271787 85.468 > 5 21 Rb 0.17455719295900 0.06250000000000 0.97432920067472 85.468 > 6 22 Rb 0.17455719295900 0.31250000000000 0.97432920067472 85.468 > 6 23 Rb 0.17455719295900 0.56250000000000 0.97432920067472 85.468 > 6 24 Rb 0.17455719295900 0.81250000000000 0.97432920067472 85.468 > 6 25 Rb 0.82544280704100 0.18750000000000 0.02567079932528 85.468 > 7 26 Rb 0.82544280704100 0.43750000000000 0.02567079932528 85.468 > 7 27 Rb 0.82544280704100 0.68750000000000 0.02567079932528 85.468 > 7 28 Rb 0.82544280704100 0.93750000000000 0.02567079932528 85.468 > 7 29 Rb 0.01304686267011 0.06250000000000 0.32454483728213 85.468 > 8 30 Rb 0.01304686267011 0.31250000000000 0.32454483728213 85.468 > 8 31 Rb 0.01304686267011 0.56250000000000 0.32454483728213 85.468 > 8 32 Rb 0.01304686267011 0.81250000000000 0.32454483728213 85.468 > 8 *33 Cu 0.25628865167162 0.06250000000000 0.68867861229936 63.546 > 9 34 Cu 0.25628865167162 0.31250000000000 0.68867861229936 63.546 > 9 35 Cu 0.25628865167162 0.56250000000000 0.68867861229936 63.546 > 9 36 Cu 0.25628865167162 0.81250000000000 0.68867861229936 63.546 > 9 37 Cu 0.75628865167162 0.06250000000000 0.81132138770064 63.546 > 10 38 Cu 0.75628865167162 0.31250000000000 0.81132138770064 63.546 > 10 39 Cu 0.75628865167162 0.56250000000000 0.81132138770064 63.546 > 10 40 Cu 0.75628865167162 0.81250000000000 0.81132138770064 63.546 > 10 41 Cu 0.74371134832838 0.18750000000000 0.31132138770064 63.546 > 11 42 Cu 0.74371134832838 0.43750000000000 0.31132138770064 63.546 > 11 43 Cu 0.74371134832838 0.68750000000000 0.31132138770064 63.546 > 11 44 Cu 0.74371134832838 0.93750000000000 0.31132138770064 63.546 > 11 45 Cu 0.24371134832838 0.18750000000000 0.18867861229936 63.546 > 12 46 Cu 0.24371134832838 0.43750000000000 0.18867861229936 63.546 > 12 47 Cu 0.24371134832838 0.68750000000000 0.18867861229936 63.546 > 12 48 Cu 0.24371134832838 0.93750000000000 0.18867861229936 63.546 > 12 *49 Br 0.72769563534086 0.18750000000000 0.72288835799255 79.904 > 13 50 Br 0.72769563534086 0.43750000000000 0.72288835799255 79.904 > 13 51 Br 0.72769563534086 0.68750000000000 0.72288835799255 79.904 > 13 52 Br 0.72769563534086 0.93750000000000 0.72288835799255 79.904 > 13 53 Br 0.77230436465914 0.06250000000000 0.22288835799254 79.904 > 14 54 Br 0.77230436465914 0.31250000000000 0.22288835799254 79.904 > 14 55 Br 0.77230436465914 0.56250000000000 0.22288835799254 79.904 > 14 56 Br 0.77230436465914 0.81250000000000 0.22288835799254 79.904 > 14 *57 Br 0.93529579688065 0.06250000000000 0.86228752183211 79.904 > 15 58 Br 0.93529579688065 0.31250000000000 0.86228752183211 79.904 > 15 59 Br 0.93529579688065 0.56250000000000 0.86228752183211 79.904 > 15 60 Br 0.93529579688065 0.81250000000000 0.86228752183211 79.904 > 15 *61 Br 0.86203786380557 0.18750000000000 0.44963992699372 79.904 > 16 62 Br 0.86203786380557 0.43750000000000 0.44963992699372 79.904 > 16 63 Br 0.86203786380557 0.68750000000000 0.44963992699372 79.904 > 16 64 Br 0.86203786380557 0.93750000000000 0.44963992699372 79.904 > 16 65 Br 0.27230436465914 0.06250000000000 0.27711164200745 79.904 > 17 66 Br 0.27230436465914 0.31250000000000 0.27711164200745 79.904 > 17 67 Br 0.27230436465914 0.56250000000000 0.27711164200745 79.904 > 17 68 Br 0.27230436465914 0.81250000000000 0.27711164200745 79.904 > 17 69 Br 0.06470420311935 0.18750000000000 0.13771247816789 79.904 > 18 70 Br 0.06470420311935 0.43750000000000 0.13771247816789 79.904 > 18 71 Br 0.06470420311935 0.68750000000000 0.13771247816789 79.904 > 18 72 Br 0.06470420311935 0.93750000000000 0.13771247816789 79.904 > 18 73 Br 0.56470420311935 0.18750000000000 0.36228752183211 79.904 > 19 74 Br 0.56470420311935 0.43750000000000 0.36228752183211 79.904 > 19 75 Br 0.56470420311935 0.68750000000000 0.36228752183211 79.904 > 19 76 Br 0.56470420311935 0.93750000000000 0.36228752183211 79.904 > 19 77 Br 0.43529579688065 0.06250000000000 0.63771247816789 79.904 > 20 78 Br 0.43529579688065 0.31250000000000 0.63771247816789 79.904 > 20 79 Br 0.43529579688065 0.56250000000000 0.63771247816789 79.904 > 20 80 Br 0.43529579688065 0.81250000000000 0.63771247816789 79.904 > 20 81 Br 0.22769563534086 0.18750000000000 0.77711164200745 79.904 > 21 82 Br 0.22769563534086 0.43750000000000 0.77711164200745 79.904 > 21 83 Br 0.22769563534086 0.68750000000000 0.77711164200745 79.904 > 21 84 Br 0.22769563534086 0.93750000000000 0.77711164200745 79.904 > 21 85 Br 0.63796213619443 0.06250000000000 0.94963992699372 79.904 > 22 86 Br 0.63796213619443 0.31250000000000 0.94963992699372 79.904 > 22 87 Br 0.63796213619443 0.56250000000000 0.94963992699372 79.904 > 22 88 Br 0.63796213619443 0.81250000000000 0.94963992699372 79.904 > 22 89 Br 0.36203786380557 0.18750000000000 0.05036007300628 79.904 > 23 90 Br 0.36203786380557 0.43750000000000 0.05036007300628 79.904 > 23 91 Br 0.36203786380557 0.68750000000000 0.05036007300628 79.904 > 23 92 Br 0.36203786380557 0.93750000000000 0.05036007300628 79.904 > 23 93 Br 0.13796213619443 0.06250000000000 0.55036007300628 79.904 > 24 94 Br 0.13796213619443 0.31250000000000 0.55036007300628 79.904 > 24 95 Br 0.13796213619443 0.56250000000000 0.55036007300628 79.904 > 24 96 Br 0.13796213619443 0.81250000000000 0.55036007300628 79.904 > 24----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 3.2954212 0.0000000 0.0000000 0.0000000 3.6418323 0.0000000 0.0000000 0.0000000 3.2734874-------------------------- Born effective charges -------------------------- 1 Rb 1.4139669 0.0000000 0.1732873 0.0000000 1.0592026 0.0000000 0.1703196 0.0000000 1.2029423 2 Rb 1.4139669 0.0000000 0.1732873 0.0000000 1.0592026 0.0000000 0.1703196 0.0000000 1.2029423 3 Rb 1.1135750 0.0000000 -0.0970757 0.0000000 1.2211326 0.0000000 -0.0484894 0.0000000 1.4258910 4 Rb 1.1135750 0.0000000 -0.0970757 0.0000000 1.2211326 0.0000000 -0.0484894 0.0000000 1.4258910 5 Rb 1.4139669 0.0000000 -0.1732873 0.0000000 1.0592026 0.0000000 -0.1703196 0.0000000 1.2029423 6 Rb 1.1135750 0.0000000 0.0970757 0.0000000 1.2211326 0.0000000 0.0484894 0.0000000 1.4258910 7 Rb 1.1135750 0.0000000 0.0970757 0.0000000 1.2211326 0.0000000 0.0484894 0.0000000 1.4258910 8 Rb 1.4139669 0.0000000 -0.1732873 0.0000000 1.0592026 0.0000000 -0.1703196 0.0000000 1.2029423 9 Cu 0.9026011 0.0000000 0.0286803 0.0000000 1.3121945 0.0000000 0.0712775 0.0000000 0.7211299 10 Cu 0.9026011 0.0000000 -0.0286803 0.0000000 1.3121945 0.0000000 -0.0712775 0.0000000 0.7211299 11 Cu 0.9026011 0.0000000 0.0286803 0.0000000 1.3121945 0.0000000 0.0712775 0.0000000 0.7211299 12 Cu 0.9026011 0.0000000 -0.0286803 0.0000000 1.3121945 0.0000000 -0.0712775 0.0000000 0.7211299 13 Br -0.8782504 0.0000000 -0.0552323 0.0000000 -1.6876046 0.0000000 -0.0101355 0.0000000 -1.0268536 14 Br -0.8782504 0.0000000 0.0552323 0.0000000 -1.6876046 0.0000000 0.0101355 0.0000000 -1.0268536 15 Br -1.3600433 0.0000000 -0.0727650 0.0000000 -0.9566940 0.0000000 0.0069653 0.0000000 -1.0582324 16 Br -1.1918494 0.0000000 -0.1282211 0.0000000 -0.9482311 0.0000000 -0.1387150 0.0000000 -1.2648772 17 Br -0.8782504 0.0000000 -0.0552323 0.0000000 -1.6876046 0.0000000 -0.0101355 0.0000000 -1.0268536 18 Br -1.3600433 0.0000000 -0.0727650 0.0000000 -0.9566940 0.0000000 0.0069653 0.0000000 -1.0582324 19 Br -1.3600433 0.0000000 0.0727650 0.0000000 -0.9566940 0.0000000 -0.0069653 0.0000000 -1.0582324 20 Br -1.3600433 0.0000000 0.0727650 0.0000000 -0.9566940 0.0000000 -0.0069653 0.0000000 -1.0582324 21 Br -0.8782504 0.0000000 0.0552323 0.0000000 -1.6876046 0.0000000 0.0101355 0.0000000 -1.0268536 22 Br -1.1918494 0.0000000 0.1282211 0.0000000 -0.9482311 0.0000000 0.1387150 0.0000000 -1.2648772 23 Br -1.1918494 0.0000000 0.1282211 0.0000000 -0.9482311 0.0000000 0.1387150 0.0000000 -1.2648772 24 Br -1.1918494 0.0000000 -0.1282211 0.0000000 -0.9482311 0.0000000 -0.1387150 0.0000000 -1.2648772----------------------------------------------------------------------------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: 288/288Permutation basis: 10656/10656Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1422Number of blocks in projector: 1422Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 360Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 216Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 216Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 210Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 210Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 210Use standard eigh solver.Tree of FC basis block matrices:- (1422, 1392), data: False|-- (210, 204), data: True|-- (210, 204), data: True|-- (210, 204), data: True|-- (216, 216), data: True|-- (216, 216), data: True|-- (360, 348), data: True-----Solver_atoms: 1 -- 96 / 96Time (Solver_compr_matrix_reshape): 0.003Solver_block: 100 / 400 - Time: 1.590Solver_block: 200 / 400 - Time: 1.558Solver_block: 300 / 400 - Time: 1.561Solver_block: 400 / 400 - Time: 1.561Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.306--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 288/288Permutation basis: 10656/10656Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1422Number of blocks in projector: 1422Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 360Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 216Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 216Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 210Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 210Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 210Use standard eigh solver.Tree of FC basis block matrices:- (1422, 1392), data: False|-- (210, 204), data: True|-- (210, 204), data: True|-- (210, 204), data: True|-- (216, 216), data: True|-- (216, 216), data: True|-- (360, 348), data: TrueMax drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 18:39:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 18:39:10]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [1 4 1]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pnma (62)------------------------------ primitive cell ------------------------------Lattice vectors: a 13.042521450000001 0.000000000000000 0.000000000000000 b 0.000000000000000 4.337919439999999 0.000000000000000 c 0.000000000000000 0.000000000000000 13.517134289999998Atomic positions (fractional): 1 Rb 0.48695313732989 0.75000000000000 0.82454483728213 85.468 2 Rb 0.51304686267011 0.25000000000000 0.17545516271787 85.468 3 Rb 0.32544280704100 0.75000000000000 0.47432920067472 85.468 4 Rb 0.67455719295900 0.25000000000000 0.52567079932528 85.468 5 Rb 0.98695313732989 0.75000000000000 0.67545516271787 85.468 6 Rb 0.17455719295900 0.25000000000000 0.97432920067472 85.468 7 Rb 0.82544280704100 0.75000000000000 0.02567079932528 85.468 8 Rb 0.01304686267011 0.25000000000000 0.32454483728213 85.468 9 Cu 0.25628865167162 0.25000000000000 0.68867861229936 63.546 10 Cu 0.75628865167162 0.25000000000000 0.81132138770064 63.546 11 Cu 0.74371134832838 0.75000000000000 0.31132138770064 63.546 12 Cu 0.24371134832838 0.75000000000000 0.18867861229936 63.546 13 Br 0.72769563534086 0.75000000000000 0.72288835799255 79.904 14 Br 0.77230436465914 0.25000000000000 0.22288835799254 79.904 15 Br 0.93529579688065 0.25000000000000 0.86228752183211 79.904 16 Br 0.86203786380557 0.75000000000000 0.44963992699372 79.904 17 Br 0.27230436465914 0.25000000000000 0.27711164200745 79.904 18 Br 0.06470420311935 0.75000000000000 0.13771247816789 79.904 19 Br 0.56470420311935 0.75000000000000 0.36228752183211 79.904 20 Br 0.43529579688065 0.25000000000000 0.63771247816789 79.904 21 Br 0.22769563534086 0.75000000000000 0.77711164200745 79.904 22 Br 0.63796213619443 0.25000000000000 0.94963992699372 79.904 23 Br 0.36203786380557 0.75000000000000 0.05036007300628 79.904 24 Br 0.13796213619443 0.25000000000000 0.55036007300628 79.904-------------------------------- supercell ---------------------------------Lattice vectors: a 13.042521450000001 0.000000000000000 0.000000000000000 b 0.000000000000000 17.351677759999998 0.000000000000000 c 0.000000000000000 0.000000000000000 13.517134289999998Atomic positions (fractional): 1 Rb 0.48695313732989 0.18750000000000 0.82454483728213 85.468 > 1 2 Rb 0.48695313732989 0.43750000000000 0.82454483728213 85.468 > 1 3 Rb 0.48695313732989 0.68750000000000 0.82454483728213 85.468 > 1 4 Rb 0.48695313732989 0.93750000000000 0.82454483728213 85.468 > 1 5 Rb 0.51304686267011 0.06250000000000 0.17545516271787 85.468 > 5 6 Rb 0.51304686267011 0.31250000000000 0.17545516271787 85.468 > 5 7 Rb 0.51304686267011 0.56250000000000 0.17545516271787 85.468 > 5 8 Rb 0.51304686267011 0.81250000000000 0.17545516271787 85.468 > 5 9 Rb 0.32544280704100 0.18750000000000 0.47432920067472 85.468 > 9 10 Rb 0.32544280704100 0.43750000000000 0.47432920067472 85.468 > 9 11 Rb 0.32544280704100 0.68750000000000 0.47432920067472 85.468 > 9 12 Rb 0.32544280704100 0.93750000000000 0.47432920067472 85.468 > 9 13 Rb 0.67455719295900 0.06250000000000 0.52567079932528 85.468 > 13 14 Rb 0.67455719295900 0.31250000000000 0.52567079932528 85.468 > 13 15 Rb 0.67455719295900 0.56250000000000 0.52567079932528 85.468 > 13 16 Rb 0.67455719295900 0.81250000000000 0.52567079932528 85.468 > 13 17 Rb 0.98695313732989 0.18750000000000 0.67545516271787 85.468 > 17 18 Rb 0.98695313732989 0.43750000000000 0.67545516271787 85.468 > 17 19 Rb 0.98695313732989 0.68750000000000 0.67545516271787 85.468 > 17 20 Rb 0.98695313732989 0.93750000000000 0.67545516271787 85.468 > 17 21 Rb 0.17455719295900 0.06250000000000 0.97432920067472 85.468 > 21 22 Rb 0.17455719295900 0.31250000000000 0.97432920067472 85.468 > 21 23 Rb 0.17455719295900 0.56250000000000 0.97432920067472 85.468 > 21 24 Rb 0.17455719295900 0.81250000000000 0.97432920067472 85.468 > 21 25 Rb 0.82544280704100 0.18750000000000 0.02567079932528 85.468 > 25 26 Rb 0.82544280704100 0.43750000000000 0.02567079932528 85.468 > 25 27 Rb 0.82544280704100 0.68750000000000 0.02567079932528 85.468 > 25 28 Rb 0.82544280704100 0.93750000000000 0.02567079932528 85.468 > 25 29 Rb 0.01304686267011 0.06250000000000 0.32454483728213 85.468 > 29 30 Rb 0.01304686267011 0.31250000000000 0.32454483728213 85.468 > 29 31 Rb 0.01304686267011 0.56250000000000 0.32454483728213 85.468 > 29 32 Rb 0.01304686267011 0.81250000000000 0.32454483728213 85.468 > 29 33 Cu 0.25628865167162 0.06250000000000 0.68867861229936 63.546 > 33 34 Cu 0.25628865167162 0.31250000000000 0.68867861229936 63.546 > 33 35 Cu 0.25628865167162 0.56250000000000 0.68867861229936 63.546 > 33 36 Cu 0.25628865167162 0.81250000000000 0.68867861229936 63.546 > 33 37 Cu 0.75628865167162 0.06250000000000 0.81132138770064 63.546 > 37 38 Cu 0.75628865167162 0.31250000000000 0.81132138770064 63.546 > 37 39 Cu 0.75628865167162 0.56250000000000 0.81132138770064 63.546 > 37 40 Cu 0.75628865167162 0.81250000000000 0.81132138770064 63.546 > 37 41 Cu 0.74371134832838 0.18750000000000 0.31132138770064 63.546 > 41 42 Cu 0.74371134832838 0.43750000000000 0.31132138770064 63.546 > 41 43 Cu 0.74371134832838 0.68750000000000 0.31132138770064 63.546 > 41 44 Cu 0.74371134832838 0.93750000000000 0.31132138770064 63.546 > 41 45 Cu 0.24371134832838 0.18750000000000 0.18867861229936 63.546 > 45 46 Cu 0.24371134832838 0.43750000000000 0.18867861229936 63.546 > 45 47 Cu 0.24371134832838 0.68750000000000 0.18867861229936 63.546 > 45 48 Cu 0.24371134832838 0.93750000000000 0.18867861229936 63.546 > 45 49 Br 0.72769563534086 0.18750000000000 0.72288835799255 79.904 > 49 50 Br 0.72769563534086 0.43750000000000 0.72288835799255 79.904 > 49 51 Br 0.72769563534086 0.68750000000000 0.72288835799255 79.904 > 49 52 Br 0.72769563534086 0.93750000000000 0.72288835799255 79.904 > 49 53 Br 0.77230436465914 0.06250000000000 0.22288835799254 79.904 > 53 54 Br 0.77230436465914 0.31250000000000 0.22288835799254 79.904 > 53 55 Br 0.77230436465914 0.56250000000000 0.22288835799254 79.904 > 53 56 Br 0.77230436465914 0.81250000000000 0.22288835799254 79.904 > 53 57 Br 0.93529579688065 0.06250000000000 0.86228752183211 79.904 > 57 58 Br 0.93529579688065 0.31250000000000 0.86228752183211 79.904 > 57 59 Br 0.93529579688065 0.56250000000000 0.86228752183211 79.904 > 57 60 Br 0.93529579688065 0.81250000000000 0.86228752183211 79.904 > 57 61 Br 0.86203786380557 0.18750000000000 0.44963992699372 79.904 > 61 62 Br 0.86203786380557 0.43750000000000 0.44963992699372 79.904 > 61 63 Br 0.86203786380557 0.68750000000000 0.44963992699372 79.904 > 61 64 Br 0.86203786380557 0.93750000000000 0.44963992699372 79.904 > 61 65 Br 0.27230436465914 0.06250000000000 0.27711164200745 79.904 > 65 66 Br 0.27230436465914 0.31250000000000 0.27711164200745 79.904 > 65 67 Br 0.27230436465914 0.56250000000000 0.27711164200745 79.904 > 65 68 Br 0.27230436465914 0.81250000000000 0.27711164200745 79.904 > 65 69 Br 0.06470420311935 0.18750000000000 0.13771247816789 79.904 > 69 70 Br 0.06470420311935 0.43750000000000 0.13771247816789 79.904 > 69 71 Br 0.06470420311935 0.68750000000000 0.13771247816789 79.904 > 69 72 Br 0.06470420311935 0.93750000000000 0.13771247816789 79.904 > 69 73 Br 0.56470420311935 0.18750000000000 0.36228752183211 79.904 > 73 74 Br 0.56470420311935 0.43750000000000 0.36228752183211 79.904 > 73 75 Br 0.56470420311935 0.68750000000000 0.36228752183211 79.904 > 73 76 Br 0.56470420311935 0.93750000000000 0.36228752183211 79.904 > 73 77 Br 0.43529579688065 0.06250000000000 0.63771247816789 79.904 > 77 78 Br 0.43529579688065 0.31250000000000 0.63771247816789 79.904 > 77 79 Br 0.43529579688065 0.56250000000000 0.63771247816789 79.904 > 77 80 Br 0.43529579688065 0.81250000000000 0.63771247816789 79.904 > 77 81 Br 0.22769563534086 0.18750000000000 0.77711164200745 79.904 > 81 82 Br 0.22769563534086 0.43750000000000 0.77711164200745 79.904 > 81 83 Br 0.22769563534086 0.68750000000000 0.77711164200745 79.904 > 81 84 Br 0.22769563534086 0.93750000000000 0.77711164200745 79.904 > 81 85 Br 0.63796213619443 0.06250000000000 0.94963992699372 79.904 > 85 86 Br 0.63796213619443 0.31250000000000 0.94963992699372 79.904 > 85 87 Br 0.63796213619443 0.56250000000000 0.94963992699372 79.904 > 85 88 Br 0.63796213619443 0.81250000000000 0.94963992699372 79.904 > 85 89 Br 0.36203786380557 0.18750000000000 0.05036007300628 79.904 > 89 90 Br 0.36203786380557 0.43750000000000 0.05036007300628 79.904 > 89 91 Br 0.36203786380557 0.68750000000000 0.05036007300628 79.904 > 89 92 Br 0.36203786380557 0.93750000000000 0.05036007300628 79.904 > 89 93 Br 0.13796213619443 0.06250000000000 0.55036007300628 79.904 > 93 94 Br 0.13796213619443 0.31250000000000 0.55036007300628 79.904 > 93 95 Br 0.13796213619443 0.56250000000000 0.55036007300628 79.904 > 93 96 Br 0.13796213619443 0.81250000000000 0.55036007300628 79.904 > 93----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 3.2954212 0.0000000 0.0000000 0.0000000 3.6418323 0.0000000 0.0000000 0.0000000 3.2734874-------------------------- Born effective charges -------------------------- 1 Rb 1.4139669 0.0000000 0.1732873 0.0000000 1.0592026 0.0000000 0.1703196 0.0000000 1.2029423 2 Rb 1.4139669 0.0000000 0.1732873 0.0000000 1.0592026 0.0000000 0.1703196 0.0000000 1.2029423 3 Rb 1.1135750 0.0000000 -0.0970757 0.0000000 1.2211326 0.0000000 -0.0484894 0.0000000 1.4258910 4 Rb 1.1135750 0.0000000 -0.0970757 0.0000000 1.2211326 0.0000000 -0.0484894 0.0000000 1.4258910 5 Rb 1.4139669 0.0000000 -0.1732873 0.0000000 1.0592026 0.0000000 -0.1703196 0.0000000 1.2029423 6 Rb 1.1135750 0.0000000 0.0970757 0.0000000 1.2211326 0.0000000 0.0484894 0.0000000 1.4258910 7 Rb 1.1135750 0.0000000 0.0970757 0.0000000 1.2211326 0.0000000 0.0484894 0.0000000 1.4258910 8 Rb 1.4139669 0.0000000 -0.1732873 0.0000000 1.0592026 0.0000000 -0.1703196 0.0000000 1.2029423 9 Cu 0.9026011 0.0000000 0.0286803 0.0000000 1.3121945 0.0000000 0.0712775 0.0000000 0.7211299 10 Cu 0.9026011 0.0000000 -0.0286803 0.0000000 1.3121945 0.0000000 -0.0712775 0.0000000 0.7211299 11 Cu 0.9026011 0.0000000 0.0286803 0.0000000 1.3121945 0.0000000 0.0712775 0.0000000 0.7211299 12 Cu 0.9026011 0.0000000 -0.0286803 0.0000000 1.3121945 0.0000000 -0.0712775 0.0000000 0.7211299 13 Br -0.8782504 0.0000000 -0.0552323 0.0000000 -1.6876046 0.0000000 -0.0101355 0.0000000 -1.0268536 14 Br -0.8782504 0.0000000 0.0552323 0.0000000 -1.6876046 0.0000000 0.0101355 0.0000000 -1.0268536 15 Br -1.3600433 0.0000000 -0.0727650 0.0000000 -0.9566940 0.0000000 0.0069653 0.0000000 -1.0582324 16 Br -1.1918494 0.0000000 -0.1282211 0.0000000 -0.9482311 0.0000000 -0.1387150 0.0000000 -1.2648772 17 Br -0.8782504 0.0000000 -0.0552323 0.0000000 -1.6876046 0.0000000 -0.0101355 0.0000000 -1.0268536 18 Br -1.3600433 0.0000000 -0.0727650 0.0000000 -0.9566940 0.0000000 0.0069653 0.0000000 -1.0582324 19 Br -1.3600433 0.0000000 0.0727650 0.0000000 -0.9566940 0.0000000 -0.0069653 0.0000000 -1.0582324 20 Br -1.3600433 0.0000000 0.0727650 0.0000000 -0.9566940 0.0000000 -0.0069653 0.0000000 -1.0582324 21 Br -0.8782504 0.0000000 0.0552323 0.0000000 -1.6876046 0.0000000 0.0101355 0.0000000 -1.0268536 22 Br -1.1918494 0.0000000 0.1282211 0.0000000 -0.9482311 0.0000000 0.1387150 0.0000000 -1.2648772 23 Br -1.1918494 0.0000000 0.1282211 0.0000000 -0.9482311 0.0000000 0.1387150 0.0000000 -1.2648772 24 Br -1.1918494 0.0000000 -0.1282211 0.0000000 -0.9482311 0.0000000 -0.1387150 0.0000000 -1.2648772----------------------------------------------------------------------------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[ 9, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 33, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 49, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 57, 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[ 61, 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 (yzy) -0.00000000 (yzy) -0.00000000 (yyz)fc3 was written into "fc3.hdf5".Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 18:39:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 18:39:26]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [1 4 1]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pnma (62)------------------------------ primitive cell ------------------------------Lattice vectors: a 13.042521450000001 0.000000000000000 0.000000000000000 b 0.000000000000000 4.337919439999999 0.000000000000000 c 0.000000000000000 0.000000000000000 13.517134289999998Atomic positions (fractional): 1 Rb 0.48695313732989 0.75000000000000 0.82454483728213 85.468 2 Rb 0.51304686267011 0.25000000000000 0.17545516271787 85.468 3 Rb 0.32544280704100 0.75000000000000 0.47432920067472 85.468 4 Rb 0.67455719295900 0.25000000000000 0.52567079932528 85.468 5 Rb 0.98695313732989 0.75000000000000 0.67545516271787 85.468 6 Rb 0.17455719295900 0.25000000000000 0.97432920067472 85.468 7 Rb 0.82544280704100 0.75000000000000 0.02567079932528 85.468 8 Rb 0.01304686267011 0.25000000000000 0.32454483728213 85.468 9 Cu 0.25628865167162 0.25000000000000 0.68867861229936 63.546 10 Cu 0.75628865167162 0.25000000000000 0.81132138770064 63.546 11 Cu 0.74371134832838 0.75000000000000 0.31132138770064 63.546 12 Cu 0.24371134832838 0.75000000000000 0.18867861229936 63.546 13 Br 0.72769563534086 0.75000000000000 0.72288835799255 79.904 14 Br 0.77230436465914 0.25000000000000 0.22288835799254 79.904 15 Br 0.93529579688065 0.25000000000000 0.86228752183211 79.904 16 Br 0.86203786380557 0.75000000000000 0.44963992699372 79.904 17 Br 0.27230436465914 0.25000000000000 0.27711164200745 79.904 18 Br 0.06470420311935 0.75000000000000 0.13771247816789 79.904 19 Br 0.56470420311935 0.75000000000000 0.36228752183211 79.904 20 Br 0.43529579688065 0.25000000000000 0.63771247816789 79.904 21 Br 0.22769563534086 0.75000000000000 0.77711164200745 79.904 22 Br 0.63796213619443 0.25000000000000 0.94963992699372 79.904 23 Br 0.36203786380557 0.75000000000000 0.05036007300628 79.904 24 Br 0.13796213619443 0.25000000000000 0.55036007300628 79.904-------------------------------- supercell ---------------------------------Lattice vectors: a 13.042521450000001 0.000000000000000 0.000000000000000 b 0.000000000000000 17.351677759999998 0.000000000000000 c 0.000000000000000 0.000000000000000 13.517134289999998Atomic positions (fractional): 1 Rb 0.48695313732989 0.18750000000000 0.82454483728213 85.468 > 1 2 Rb 0.48695313732989 0.43750000000000 0.82454483728213 85.468 > 1 3 Rb 0.48695313732989 0.68750000000000 0.82454483728213 85.468 > 1 4 Rb 0.48695313732989 0.93750000000000 0.82454483728213 85.468 > 1 5 Rb 0.51304686267011 0.06250000000000 0.17545516271787 85.468 > 5 6 Rb 0.51304686267011 0.31250000000000 0.17545516271787 85.468 > 5 7 Rb 0.51304686267011 0.56250000000000 0.17545516271787 85.468 > 5 8 Rb 0.51304686267011 0.81250000000000 0.17545516271787 85.468 > 5 9 Rb 0.32544280704100 0.18750000000000 0.47432920067472 85.468 > 9 10 Rb 0.32544280704100 0.43750000000000 0.47432920067472 85.468 > 9 11 Rb 0.32544280704100 0.68750000000000 0.47432920067472 85.468 > 9 12 Rb 0.32544280704100 0.93750000000000 0.47432920067472 85.468 > 9 13 Rb 0.67455719295900 0.06250000000000 0.52567079932528 85.468 > 13 14 Rb 0.67455719295900 0.31250000000000 0.52567079932528 85.468 > 13 15 Rb 0.67455719295900 0.56250000000000 0.52567079932528 85.468 > 13 16 Rb 0.67455719295900 0.81250000000000 0.52567079932528 85.468 > 13 17 Rb 0.98695313732989 0.18750000000000 0.67545516271787 85.468 > 17 18 Rb 0.98695313732989 0.43750000000000 0.67545516271787 85.468 > 17 19 Rb 0.98695313732989 0.68750000000000 0.67545516271787 85.468 > 17 20 Rb 0.98695313732989 0.93750000000000 0.67545516271787 85.468 > 17 21 Rb 0.17455719295900 0.06250000000000 0.97432920067472 85.468 > 21 22 Rb 0.17455719295900 0.31250000000000 0.97432920067472 85.468 > 21 23 Rb 0.17455719295900 0.56250000000000 0.97432920067472 85.468 > 21 24 Rb 0.17455719295900 0.81250000000000 0.97432920067472 85.468 > 21 25 Rb 0.82544280704100 0.18750000000000 0.02567079932528 85.468 > 25 26 Rb 0.82544280704100 0.43750000000000 0.02567079932528 85.468 > 25 27 Rb 0.82544280704100 0.68750000000000 0.02567079932528 85.468 > 25 28 Rb 0.82544280704100 0.93750000000000 0.02567079932528 85.468 > 25 29 Rb 0.01304686267011 0.06250000000000 0.32454483728213 85.468 > 29 30 Rb 0.01304686267011 0.31250000000000 0.32454483728213 85.468 > 29 31 Rb 0.01304686267011 0.56250000000000 0.32454483728213 85.468 > 29 32 Rb 0.01304686267011 0.81250000000000 0.32454483728213 85.468 > 29 33 Cu 0.25628865167162 0.06250000000000 0.68867861229936 63.546 > 33 34 Cu 0.25628865167162 0.31250000000000 0.68867861229936 63.546 > 33 35 Cu 0.25628865167162 0.56250000000000 0.68867861229936 63.546 > 33 36 Cu 0.25628865167162 0.81250000000000 0.68867861229936 63.546 > 33 37 Cu 0.75628865167162 0.06250000000000 0.81132138770064 63.546 > 37 38 Cu 0.75628865167162 0.31250000000000 0.81132138770064 63.546 > 37 39 Cu 0.75628865167162 0.56250000000000 0.81132138770064 63.546 > 37 40 Cu 0.75628865167162 0.81250000000000 0.81132138770064 63.546 > 37 41 Cu 0.74371134832838 0.18750000000000 0.31132138770064 63.546 > 41 42 Cu 0.74371134832838 0.43750000000000 0.31132138770064 63.546 > 41 43 Cu 0.74371134832838 0.68750000000000 0.31132138770064 63.546 > 41 44 Cu 0.74371134832838 0.93750000000000 0.31132138770064 63.546 > 41 45 Cu 0.24371134832838 0.18750000000000 0.18867861229936 63.546 > 45 46 Cu 0.24371134832838 0.43750000000000 0.18867861229936 63.546 > 45 47 Cu 0.24371134832838 0.68750000000000 0.18867861229936 63.546 > 45 48 Cu 0.24371134832838 0.93750000000000 0.18867861229936 63.546 > 45 49 Br 0.72769563534086 0.18750000000000 0.72288835799255 79.904 > 49 50 Br 0.72769563534086 0.43750000000000 0.72288835799255 79.904 > 49 51 Br 0.72769563534086 0.68750000000000 0.72288835799255 79.904 > 49 52 Br 0.72769563534086 0.93750000000000 0.72288835799255 79.904 > 49 53 Br 0.77230436465914 0.06250000000000 0.22288835799254 79.904 > 53 54 Br 0.77230436465914 0.31250000000000 0.22288835799254 79.904 > 53 55 Br 0.77230436465914 0.56250000000000 0.22288835799254 79.904 > 53 56 Br 0.77230436465914 0.81250000000000 0.22288835799254 79.904 > 53 57 Br 0.93529579688065 0.06250000000000 0.86228752183211 79.904 > 57 58 Br 0.93529579688065 0.31250000000000 0.86228752183211 79.904 > 57 59 Br 0.93529579688065 0.56250000000000 0.86228752183211 79.904 > 57 60 Br 0.93529579688065 0.81250000000000 0.86228752183211 79.904 > 57 61 Br 0.86203786380557 0.18750000000000 0.44963992699372 79.904 > 61 62 Br 0.86203786380557 0.43750000000000 0.44963992699372 79.904 > 61 63 Br 0.86203786380557 0.68750000000000 0.44963992699372 79.904 > 61 64 Br 0.86203786380557 0.93750000000000 0.44963992699372 79.904 > 61 65 Br 0.27230436465914 0.06250000000000 0.27711164200745 79.904 > 65 66 Br 0.27230436465914 0.31250000000000 0.27711164200745 79.904 > 65 67 Br 0.27230436465914 0.56250000000000 0.27711164200745 79.904 > 65 68 Br 0.27230436465914 0.81250000000000 0.27711164200745 79.904 > 65 69 Br 0.06470420311935 0.18750000000000 0.13771247816789 79.904 > 69 70 Br 0.06470420311935 0.43750000000000 0.13771247816789 79.904 > 69 71 Br 0.06470420311935 0.68750000000000 0.13771247816789 79.904 > 69 72 Br 0.06470420311935 0.93750000000000 0.13771247816789 79.904 > 69 73 Br 0.56470420311935 0.18750000000000 0.36228752183211 79.904 > 73 74 Br 0.56470420311935 0.43750000000000 0.36228752183211 79.904 > 73 75 Br 0.56470420311935 0.68750000000000 0.36228752183211 79.904 > 73 76 Br 0.56470420311935 0.93750000000000 0.36228752183211 79.904 > 73 77 Br 0.43529579688065 0.06250000000000 0.63771247816789 79.904 > 77 78 Br 0.43529579688065 0.31250000000000 0.63771247816789 79.904 > 77 79 Br 0.43529579688065 0.56250000000000 0.63771247816789 79.904 > 77 80 Br 0.43529579688065 0.81250000000000 0.63771247816789 79.904 > 77 81 Br 0.22769563534086 0.18750000000000 0.77711164200745 79.904 > 81 82 Br 0.22769563534086 0.43750000000000 0.77711164200745 79.904 > 81 83 Br 0.22769563534086 0.68750000000000 0.77711164200745 79.904 > 81 84 Br 0.22769563534086 0.93750000000000 0.77711164200745 79.904 > 81 85 Br 0.63796213619443 0.06250000000000 0.94963992699372 79.904 > 85 86 Br 0.63796213619443 0.31250000000000 0.94963992699372 79.904 > 85 87 Br 0.63796213619443 0.56250000000000 0.94963992699372 79.904 > 85 88 Br 0.63796213619443 0.81250000000000 0.94963992699372 79.904 > 85 89 Br 0.36203786380557 0.18750000000000 0.05036007300628 79.904 > 89 90 Br 0.36203786380557 0.43750000000000 0.05036007300628 79.904 > 89 91 Br 0.36203786380557 0.68750000000000 0.05036007300628 79.904 > 89 92 Br 0.36203786380557 0.93750000000000 0.05036007300628 79.904 > 89 93 Br 0.13796213619443 0.06250000000000 0.55036007300628 79.904 > 93 94 Br 0.13796213619443 0.31250000000000 0.55036007300628 79.904 > 93 95 Br 0.13796213619443 0.56250000000000 0.55036007300628 79.904 > 93 96 Br 0.13796213619443 0.81250000000000 0.55036007300628 79.904 > 93----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 3.2954212 0.0000000 0.0000000 0.0000000 3.6418323 0.0000000 0.0000000 0.0000000 3.2734874-------------------------- Born effective charges -------------------------- 1 Rb 1.4139669 0.0000000 0.1732873 0.0000000 1.0592026 0.0000000 0.1703196 0.0000000 1.2029423 2 Rb 1.4139669 0.0000000 0.1732873 0.0000000 1.0592026 0.0000000 0.1703196 0.0000000 1.2029423 3 Rb 1.1135750 0.0000000 -0.0970757 0.0000000 1.2211326 0.0000000 -0.0484894 0.0000000 1.4258910 4 Rb 1.1135750 0.0000000 -0.0970757 0.0000000 1.2211326 0.0000000 -0.0484894 0.0000000 1.4258910 5 Rb 1.4139669 0.0000000 -0.1732873 0.0000000 1.0592026 0.0000000 -0.1703196 0.0000000 1.2029423 6 Rb 1.1135750 0.0000000 0.0970757 0.0000000 1.2211326 0.0000000 0.0484894 0.0000000 1.4258910 7 Rb 1.1135750 0.0000000 0.0970757 0.0000000 1.2211326 0.0000000 0.0484894 0.0000000 1.4258910 8 Rb 1.4139669 0.0000000 -0.1732873 0.0000000 1.0592026 0.0000000 -0.1703196 0.0000000 1.2029423 9 Cu 0.9026011 0.0000000 0.0286803 0.0000000 1.3121945 0.0000000 0.0712775 0.0000000 0.7211299 10 Cu 0.9026011 0.0000000 -0.0286803 0.0000000 1.3121945 0.0000000 -0.0712775 0.0000000 0.7211299 11 Cu 0.9026011 0.0000000 0.0286803 0.0000000 1.3121945 0.0000000 0.0712775 0.0000000 0.7211299 12 Cu 0.9026011 0.0000000 -0.0286803 0.0000000 1.3121945 0.0000000 -0.0712775 0.0000000 0.7211299 13 Br -0.8782504 0.0000000 -0.0552323 0.0000000 -1.6876046 0.0000000 -0.0101355 0.0000000 -1.0268536 14 Br -0.8782504 0.0000000 0.0552323 0.0000000 -1.6876046 0.0000000 0.0101355 0.0000000 -1.0268536 15 Br -1.3600433 0.0000000 -0.0727650 0.0000000 -0.9566940 0.0000000 0.0069653 0.0000000 -1.0582324 16 Br -1.1918494 0.0000000 -0.1282211 0.0000000 -0.9482311 0.0000000 -0.1387150 0.0000000 -1.2648772 17 Br -0.8782504 0.0000000 -0.0552323 0.0000000 -1.6876046 0.0000000 -0.0101355 0.0000000 -1.0268536 18 Br -1.3600433 0.0000000 -0.0727650 0.0000000 -0.9566940 0.0000000 0.0069653 0.0000000 -1.0582324 19 Br -1.3600433 0.0000000 0.0727650 0.0000000 -0.9566940 0.0000000 -0.0069653 0.0000000 -1.0582324 20 Br -1.3600433 0.0000000 0.0727650 0.0000000 -0.9566940 0.0000000 -0.0069653 0.0000000 -1.0582324 21 Br -0.8782504 0.0000000 0.0552323 0.0000000 -1.6876046 0.0000000 0.0101355 0.0000000 -1.0268536 22 Br -1.1918494 0.0000000 0.1282211 0.0000000 -0.9482311 0.0000000 0.1387150 0.0000000 -1.2648772 23 Br -1.1918494 0.0000000 0.1282211 0.0000000 -0.9482311 0.0000000 0.1387150 0.0000000 -1.2648772 24 Br -1.1918494 0.0000000 -0.1282211 0.0000000 -0.9482311 0.0000000 -0.1387150 0.0000000 -1.2648772----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000000 (yzy) -0.00000000 (yzy) -0.00000000 (yyz)Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 4 12 4 ]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: 0.45, Number of G-points: 293, Lambda: 0.09Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/63) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 63Calculating Gamma of ph-isotope with tetrahedron methodFrequency 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 0.722 ( 0.000 0.000 0.000) 0.000 0.815 ( 0.000 0.000 0.000) 0.000 0.910 ( 0.000 0.000 0.000) 0.000 1.089 ( 0.000 0.000 0.000) 0.000 1.093 ( 0.000 0.000 0.000) 0.000 1.111 ( 0.000 0.000 0.000) 0.000 1.116 ( 0.000 0.000 0.000) 0.000 1.158 ( 0.000 0.000 0.000) 0.000 1.186 ( 0.000 0.000 0.000) 0.000 1.261 ( 0.000 0.000 0.000) 0.000 1.284 ( 0.000 0.000 0.000) 0.000 1.341 ( 0.000 0.000 0.000) 0.000 1.343 ( 0.000 0.000 0.000) 0.000 1.482 ( 0.000 0.000 0.000) 0.000 1.528 ( 0.000 0.000 0.000) 0.000 1.555 ( 0.000 0.000 0.000) 0.000 1.591 ( 0.000 0.000 0.000) 0.000 1.593 ( 0.000 0.000 0.000) 0.000 1.674 ( 0.000 0.000 0.000) 0.000 1.704 ( 0.000 0.000 0.000) 0.000 1.734 ( 0.000 0.000 0.000) 0.000 1.906 ( 0.000 0.000 0.000) 0.000 1.938 ( 0.000 0.000 0.000) 0.000 1.953 ( 0.000 0.000 0.000) 0.000 2.019 ( 0.000 0.000 0.000) 0.000 2.066 ( 0.000 0.000 0.000) 0.000 2.074 ( 0.000 0.000 0.000) 0.000 2.078 ( 0.000 0.000 0.000) 0.000 2.082 ( 0.000 0.000 0.000) 0.000 2.103 ( 0.000 0.000 0.000) 0.000 2.241 ( 0.000 0.000 0.000) 0.000 2.308 ( 0.000 0.000 0.000) 0.000 2.382 ( 0.000 0.000 0.000) 0.000 2.433 ( 0.000 0.000 0.000) 0.000 2.477 ( 0.000 0.000 0.000) 0.000 2.484 ( 0.000 0.000 0.000) 0.000 2.528 ( 0.000 0.000 0.000) 0.000 2.532 ( 0.000 0.000 0.000) 0.000 2.548 ( 0.000 0.000 0.000) 0.000 2.557 ( 0.000 0.000 0.000) 0.000 2.625 ( 0.000 0.000 0.000) 0.000 2.643 ( 0.000 0.000 0.000) 0.000 2.669 ( 0.000 0.000 0.000) 0.000 2.711 ( 0.000 0.000 0.000) 0.000 2.832 ( 0.000 0.000 0.000) 0.000 2.939 ( 0.000 0.000 0.000) 0.000 2.990 ( 0.000 0.000 0.000) 0.000 3.091 ( 0.000 0.000 0.000) 0.000 3.130 ( 0.000 0.000 0.000) 0.000 3.160 ( 0.000 0.000 0.000) 0.000 3.212 ( 0.000 0.000 0.000) 0.000 3.214 ( 0.000 0.000 0.000) 0.000 3.288 ( 0.000 0.000 0.000) 0.000 3.440 ( 0.000 0.000 0.000) 0.000 3.487 ( 0.000 0.000 0.000) 0.000 3.491 ( 0.000 0.000 0.000) 0.000 3.654 ( 0.000 0.000 0.000) 0.000 3.660 ( 0.000 0.000 0.000) 0.000 3.683 ( 0.000 0.000 0.000) 0.000 3.686 ( 0.000 0.000 0.000) 0.000 3.693 ( 0.000 0.000 0.000) 0.000 4.555 ( 0.000 0.000 0.000) 0.000 4.579 ( 0.000 0.000 0.000) 0.000 4.655 ( 0.000 0.000 0.000) 0.000 4.693 ( 0.000 0.000 0.000) 0.000 4.899 ( 0.000 0.000 0.000) 0.000 4.963 ( 0.000 0.000 0.000) 0.000 5.044 ( 0.000 0.000 0.000) 0.000 5.089 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/63) =======================q-point: ( 0.25 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 42Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.258 ( 13.229 0.000 0.000) 13.229 0.299 ( 15.289 0.000 0.000) 15.289 0.515 ( 25.584 0.000 0.000) 25.584 0.711 ( -9.217 0.000 0.000) 9.217 0.763 ( 4.161 0.000 0.000) 4.161 0.808 ( -9.514 0.000 0.000) 9.514 1.010 ( -7.262 0.000 0.000) 7.262 1.021 ( -4.492 0.000 0.000) 4.492 1.082 ( -0.882 0.000 0.000) 0.882 1.144 ( 2.332 0.000 0.000) 2.332 1.209 ( 3.679 0.000 0.000) 3.679 1.242 ( 2.991 0.000 0.000) 2.991 1.260 ( -0.149 0.000 0.000) 0.149 1.295 ( -3.138 0.000 0.000) 3.138 1.331 ( -1.089 0.000 0.000) 1.089 1.357 ( 2.683 0.000 0.000) 2.683 1.416 ( -9.670 0.000 0.000) 9.670 1.491 ( -7.897 0.000 0.000) 7.897 1.548 ( 4.491 0.000 0.000) 4.491 1.581 ( 5.172 0.000 0.000) 5.172 1.643 ( 4.515 0.000 0.000) 4.515 1.704 ( 3.064 0.000 0.000) 3.064 1.747 ( -0.350 0.000 0.000) 0.350 1.766 ( 3.967 0.000 0.000) 3.967 1.846 ( -7.015 0.000 0.000) 7.015 1.914 ( -6.890 0.000 0.000) 6.890 1.938 ( -5.203 0.000 0.000) 5.203 1.942 ( 4.877 0.000 0.000) 4.877 2.061 ( -2.645 0.000 0.000) 2.645 2.078 ( 2.018 0.000 0.000) 2.018 2.157 ( 5.744 0.000 0.000) 5.744 2.183 ( 5.014 0.000 0.000) 5.014 2.201 ( -5.834 0.000 0.000) 5.834 2.203 ( 6.477 0.000 0.000) 6.477 2.260 ( -3.387 0.000 0.000) 3.387 2.347 ( -3.379 0.000 0.000) 3.379 2.422 ( -4.623 0.000 0.000) 4.623 2.471 ( -0.582 0.000 0.000) 0.582 2.496 ( 2.745 0.000 0.000) 2.745 2.545 ( -2.060 0.000 0.000) 2.060 2.553 ( 0.008 0.000 0.000) 0.008 2.572 ( 1.873 0.000 0.000) 1.873 2.574 ( 1.931 0.000 0.000) 1.931 2.618 ( -0.677 0.000 0.000) 0.677 2.635 ( -0.778 0.000 0.000) 0.778 2.667 ( -0.993 0.000 0.000) 0.993 2.681 ( 2.886 0.000 0.000) 2.886 2.806 ( -2.881 0.000 0.000) 2.881 2.910 ( -1.189 0.000 0.000) 1.189 3.008 ( -4.740 0.000 0.000) 4.740 3.103 ( 6.047 0.000 0.000) 6.047 3.153 ( 2.803 0.000 0.000) 2.803 3.233 ( 0.918 0.000 0.000) 0.918 3.241 ( 0.910 0.000 0.000) 0.910 3.320 ( 5.209 0.000 0.000) 5.209 3.434 ( -0.496 0.000 0.000) 0.496 3.478 ( -0.815 0.000 0.000) 0.815 3.487 ( 0.200 0.000 0.000) 0.200 3.655 ( 0.089 0.000 0.000) 0.089 3.659 ( -0.087 0.000 0.000) 0.087 3.660 ( -2.572 0.000 0.000) 2.572 3.661 ( -2.259 0.000 0.000) 2.259 3.685 ( 0.138 0.000 0.000) 0.138 3.691 ( -0.135 0.000 0.000) 0.135 4.588 ( 0.675 0.000 0.000) 0.675 4.618 ( 1.107 0.000 0.000) 1.107 4.628 ( -1.863 0.000 0.000) 1.863 4.689 ( -1.061 0.000 0.000) 1.061 4.920 ( 2.163 0.000 0.000) 2.163 5.023 ( -2.012 0.000 0.000) 2.012 5.117 ( 2.564 0.000 0.000) 2.564 5.209 ( -1.398 0.000 0.000) 1.398======================= Grid point 2 (3/63) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 42Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.502 ( -12.112 0.000 0.000) 12.112 0.502 ( 12.112 0.000 0.000) 12.112 0.578 ( -13.571 0.000 0.000) 13.571 0.578 ( 13.571 0.000 0.000) 13.571 0.871 ( -6.773 0.000 0.000) 6.773 0.871 ( 6.773 0.000 0.000) 6.773 0.920 ( -11.489 0.000 0.000) 11.489 0.920 ( 11.489 0.000 0.000) 11.489 1.098 ( -8.645 0.000 0.000) 8.645 1.098 ( 8.645 0.000 0.000) 8.645 1.250 ( -7.608 0.000 0.000) 7.608 1.250 ( 7.608 0.000 0.000) 7.608 1.252 ( -0.940 0.000 0.000) 0.940 1.252 ( 0.940 0.000 0.000) 0.940 1.297 ( -2.545 0.000 0.000) 2.545 1.297 ( 2.545 0.000 0.000) 2.545 1.409 ( -2.276 0.000 0.000) 2.276 1.409 ( 2.276 0.000 0.000) 2.276 1.640 ( -4.922 0.000 0.000) 4.922 1.640 ( 4.922 0.000 0.000) 4.922 1.705 ( -7.275 0.000 0.000) 7.275 1.705 ( 7.275 0.000 0.000) 7.275 1.788 ( -5.094 0.000 0.000) 5.094 1.788 ( 5.094 0.000 0.000) 5.094 1.790 ( -5.746 0.000 0.000) 5.746 1.790 ( 5.746 0.000 0.000) 5.746 1.928 ( -6.630 0.000 0.000) 6.630 1.928 ( 6.630 0.000 0.000) 6.630 2.084 ( -4.958 0.000 0.000) 4.958 2.084 ( 4.958 0.000 0.000) 4.958 2.146 ( -0.094 0.000 0.000) 0.094 2.146 ( 0.094 0.000 0.000) 0.094 2.264 ( -5.112 0.000 0.000) 5.112 2.264 ( 5.112 0.000 0.000) 5.112 2.322 ( -5.787 0.000 0.000) 5.787 2.322 ( 5.787 0.000 0.000) 5.787 2.352 ( -7.967 0.000 0.000) 7.967 2.352 ( 7.967 0.000 0.000) 7.967 2.543 ( -0.864 0.000 0.000) 0.864 2.543 ( 0.864 0.000 0.000) 0.864 2.595 ( -5.869 0.000 0.000) 5.869 2.595 ( 5.869 0.000 0.000) 5.869 2.599 ( -1.255 0.000 0.000) 1.255 2.599 ( 1.255 0.000 0.000) 1.255 2.612 ( -1.612 0.000 0.000) 1.612 2.612 ( 1.612 0.000 0.000) 1.612 2.754 ( -2.863 0.000 0.000) 2.863 2.754 ( 2.863 0.000 0.000) 2.863 2.926 ( -2.849 0.000 0.000) 2.849 2.926 ( 2.849 0.000 0.000) 2.849 3.207 ( -2.638 0.000 0.000) 2.638 3.207 ( 2.638 0.000 0.000) 2.638 3.214 ( -1.713 0.000 0.000) 1.713 3.214 ( 1.713 0.000 0.000) 1.713 3.418 ( -2.488 0.000 0.000) 2.488 3.418 ( 2.488 0.000 0.000) 2.488 3.473 ( -1.061 0.000 0.000) 1.061 3.473 ( 1.061 0.000 0.000) 1.061 3.627 ( -0.247 0.000 0.000) 0.247 3.627 ( 0.247 0.000 0.000) 0.247 3.657 ( -0.124 0.000 0.000) 0.124 3.657 ( 0.124 0.000 0.000) 0.124 3.688 ( -0.193 0.000 0.000) 0.193 3.688 ( 0.193 0.000 0.000) 0.193 4.601 ( -0.905 0.000 0.000) 0.905 4.601 ( 0.905 0.000 0.000) 0.905 4.654 ( -2.255 0.000 0.000) 2.255 4.654 ( 2.255 0.000 0.000) 2.255 4.973 ( -2.996 0.000 0.000) 2.996 4.973 ( 2.996 0.000 0.000) 2.996 5.170 ( -2.586 0.000 0.000) 2.586 5.170 ( 2.586 0.000 0.000) 2.586======================= Grid point 5 (4/63) =======================q-point: ( 0.00 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 54Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.259 ( 0.000 13.263 0.000) 13.263 0.276 ( 0.000 15.171 0.000) 15.171 0.510 ( 0.000 25.475 0.000) 25.475 0.747 ( 0.000 2.132 0.000) 2.132 0.948 ( 0.000 3.963 0.000) 3.963 0.969 ( 0.000 13.623 0.000) 13.623 1.023 ( 0.000 -2.562 0.000) 2.562 1.086 ( 0.000 -2.421 0.000) 2.421 1.116 ( 0.000 2.386 0.000) 2.386 1.144 ( 0.000 -1.436 0.000) 1.436 1.171 ( 0.000 6.220 0.000) 6.220 1.271 ( 0.000 7.217 0.000) 7.217 1.337 ( 0.000 6.014 0.000) 6.014 1.367 ( 0.000 3.494 0.000) 3.494 1.376 ( 0.000 0.770 0.000) 0.770 1.427 ( 0.000 1.200 0.000) 1.200 1.436 ( 0.000 7.413 0.000) 7.413 1.493 ( 0.000 1.784 0.000) 1.784 1.565 ( 0.000 0.644 0.000) 0.644 1.579 ( 0.000 0.610 0.000) 0.610 1.717 ( 0.000 -1.658 0.000) 1.658 1.742 ( 0.000 7.367 0.000) 7.367 1.749 ( 0.000 5.858 0.000) 5.858 1.792 ( 0.000 10.731 0.000) 10.731 1.903 ( 0.000 -0.961 0.000) 0.961 1.934 ( 0.000 2.686 0.000) 2.686 1.982 ( 0.000 -6.828 0.000) 6.828 1.997 ( 0.000 -1.929 0.000) 1.929 2.036 ( 0.000 3.150 0.000) 3.150 2.046 ( 0.000 -2.347 0.000) 2.347 2.086 ( 0.000 1.493 0.000) 1.493 2.088 ( 0.000 0.829 0.000) 0.829 2.105 ( 0.000 2.846 0.000) 2.846 2.267 ( 0.000 -3.366 0.000) 3.366 2.345 ( 0.000 7.435 0.000) 7.435 2.369 ( 0.000 -4.395 0.000) 4.395 2.380 ( 0.000 -6.468 0.000) 6.468 2.435 ( 0.000 4.648 0.000) 4.648 2.468 ( 0.000 -1.686 0.000) 1.686 2.569 ( 0.000 2.008 0.000) 2.008 2.578 ( 0.000 1.560 0.000) 1.560 2.582 ( 0.000 4.727 0.000) 4.727 2.651 ( 0.000 6.156 0.000) 6.156 2.666 ( 0.000 -0.275 0.000) 0.275 2.667 ( 0.000 3.906 0.000) 3.906 2.708 ( 0.000 1.028 0.000) 1.028 2.821 ( 0.000 -1.106 0.000) 1.106 2.903 ( 0.000 -3.357 0.000) 3.357 2.971 ( 0.000 -1.919 0.000) 1.919 3.049 ( 0.000 -4.683 0.000) 4.683 3.097 ( 0.000 -3.318 0.000) 3.318 3.126 ( 0.000 -3.461 0.000) 3.461 3.134 ( 0.000 -1.074 0.000) 1.074 3.169 ( 0.000 -2.991 0.000) 2.991 3.216 ( 0.000 0.088 0.000) 0.088 3.263 ( 0.000 -2.401 0.000) 2.401 3.445 ( 0.000 -2.674 0.000) 2.674 3.457 ( 0.000 1.703 0.000) 1.703 3.461 ( 0.000 -2.527 0.000) 2.527 3.588 ( 0.000 -5.914 0.000) 5.914 3.734 ( 0.000 6.330 0.000) 6.330 3.770 ( 0.000 6.316 0.000) 6.316 3.770 ( 0.000 4.634 0.000) 4.634 4.214 ( 0.000 -0.762 0.000) 0.762 4.552 ( 0.000 -0.192 0.000) 0.192 4.573 ( 0.000 -0.504 0.000) 0.504 4.651 ( 0.000 -0.410 0.000) 0.410 4.680 ( 0.000 -1.309 0.000) 1.309 4.894 ( 0.000 -0.543 0.000) 0.543 4.953 ( 0.000 -0.937 0.000) 0.937 5.032 ( 0.000 -1.134 0.000) 1.134 5.072 ( 0.000 -1.620 0.000) 1.620======================= Grid point 6 (5/63) =======================q-point: ( 0.25 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.396 ( 10.311 9.682 0.000) 14.144 0.453 ( 11.276 10.441 0.000) 15.368 0.660 ( 14.850 15.441 0.000) 21.423 0.734 ( -1.230 1.389 0.000) 1.855 0.844 ( -9.591 9.876 0.000) 13.767 0.915 ( -3.057 7.147 0.000) 7.774 0.972 ( -4.066 -0.884 0.000) 4.161 1.025 ( -4.273 0.293 0.000) 4.283 1.100 ( -0.655 2.114 0.000) 2.213 1.160 ( 0.265 2.750 0.000) 2.763 1.212 ( 3.027 1.532 0.000) 3.393 1.308 ( 2.574 6.947 0.000) 7.409 1.357 ( 0.522 8.154 0.000) 8.171 1.370 ( 1.543 4.385 0.000) 4.648 1.398 ( -4.045 5.409 0.000) 6.754 1.435 ( 0.542 6.568 0.000) 6.590 1.448 ( -0.235 1.466 0.000) 1.485 1.480 ( -0.235 -2.185 0.000) 2.197 1.533 ( -6.119 4.162 0.000) 7.400 1.554 ( 3.929 0.999 0.000) 4.054 1.696 ( 0.766 0.695 0.000) 1.034 1.747 ( 3.724 -1.910 0.000) 4.185 1.770 ( 1.590 5.265 0.000) 5.500 1.804 ( -1.805 7.534 0.000) 7.747 1.810 ( -6.528 -2.864 0.000) 7.128 1.873 ( -6.099 -2.038 0.000) 6.431 1.971 ( -3.209 1.195 0.000) 3.424 1.995 ( 5.803 5.001 0.000) 7.661 2.066 ( -3.637 0.538 0.000) 3.677 2.087 ( 1.448 1.344 0.000) 1.975 2.142 ( 6.271 -1.533 0.000) 6.455 2.157 ( 6.399 -0.302 0.000) 6.406 2.164 ( -4.219 -2.592 0.000) 4.952 2.184 ( 6.147 -0.328 0.000) 6.156 2.319 ( -1.864 5.933 0.000) 6.219 2.355 ( -2.859 -1.845 0.000) 3.403 2.414 ( -2.022 -1.420 0.000) 2.471 2.462 ( 4.781 -1.276 0.000) 4.948 2.480 ( -2.802 2.006 0.000) 3.446 2.506 ( -2.773 -1.220 0.000) 3.029 2.544 ( -2.211 0.325 0.000) 2.234 2.585 ( 0.816 0.580 0.000) 1.001 2.657 ( -1.741 -0.348 0.000) 1.776 2.663 ( 1.260 5.791 0.000) 5.927 2.677 ( 0.365 4.192 0.000) 4.208 2.730 ( 3.484 4.584 0.000) 5.758 2.775 ( -5.167 0.328 0.000) 5.178 2.857 ( -3.230 3.168 0.000) 4.524 2.905 ( -5.730 3.262 0.000) 6.593 2.981 ( -4.420 -2.609 0.000) 5.132 3.074 ( 5.566 -2.786 0.000) 6.224 3.108 ( 4.006 -4.534 0.000) 6.050 3.205 ( 0.269 -2.051 0.000) 2.068 3.216 ( 1.765 -2.692 0.000) 3.219 3.279 ( 3.909 -3.806 0.000) 5.456 3.362 ( 4.340 -8.558 0.000) 9.595 3.434 ( -1.027 -2.631 0.000) 2.825 3.444 ( -1.022 0.209 0.000) 1.043 3.479 ( 1.665 -2.646 0.000) 3.126 3.568 ( -1.880 -5.553 0.000) 5.862 3.742 ( 0.715 6.376 0.000) 6.416 3.766 ( -0.401 6.173 0.000) 6.186 3.775 ( 0.722 5.504 0.000) 5.551 3.970 ( -12.210 10.456 0.000) 16.075 4.581 ( 0.869 -0.643 0.000) 1.081 4.604 ( 1.906 -1.159 0.000) 2.231 4.625 ( -1.790 -0.281 0.000) 1.812 4.676 ( -0.996 -1.300 0.000) 1.637 4.914 ( 2.074 -0.580 0.000) 2.154 5.009 ( -1.627 -1.527 0.000) 2.231 5.086 ( 5.113 -6.916 0.000) 8.600 5.093 ( 1.761 -2.330 0.000) 2.921======================= Grid point 7 (6/63) =======================q-point: (-0.50 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 54Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.597 ( -7.556 4.873 0.000) 8.991 0.597 ( 7.556 4.873 0.000) 8.991 0.658 ( -7.724 9.426 0.000) 12.187 0.658 ( 7.724 9.426 0.000) 12.187 0.893 ( -3.692 2.881 0.000) 4.683 0.893 ( 3.692 2.881 0.000) 4.683 0.961 ( -5.178 4.369 0.000) 6.774 0.961 ( 5.178 4.369 0.000) 6.774 1.127 ( -9.345 4.555 0.000) 10.396 1.127 ( 9.345 4.555 0.000) 10.396 1.253 ( -7.083 1.293 0.000) 7.200 1.253 ( 7.083 1.293 0.000) 7.200 1.359 ( -2.017 8.092 0.000) 8.340 1.359 ( 2.017 8.092 0.000) 8.340 1.373 ( -1.613 7.318 0.000) 7.493 1.373 ( 1.613 7.318 0.000) 7.493 1.460 ( -1.400 3.896 0.000) 4.140 1.460 ( 1.400 3.896 0.000) 4.140 1.588 ( -2.925 -2.610 0.000) 3.920 1.588 ( 2.925 -2.610 0.000) 3.920 1.725 ( -0.961 1.174 0.000) 1.517 1.725 ( 0.961 1.174 0.000) 1.517 1.759 ( -4.935 -1.448 0.000) 5.143 1.759 ( 4.935 -1.448 0.000) 5.143 1.830 ( -0.185 2.404 0.000) 2.411 1.830 ( 0.185 2.404 0.000) 2.411 1.944 ( -3.591 1.177 0.000) 3.779 1.944 ( 3.591 1.177 0.000) 3.779 2.106 ( -1.047 1.325 0.000) 1.689 2.106 ( 1.047 1.325 0.000) 1.689 2.150 ( -2.978 2.964 0.000) 4.202 2.150 ( 2.978 2.964 0.000) 4.202 2.273 ( -5.578 -0.267 0.000) 5.584 2.273 ( 5.578 -0.267 0.000) 5.584 2.320 ( -6.056 -0.850 0.000) 6.115 2.320 ( 6.056 -0.850 0.000) 6.115 2.363 ( -7.101 1.421 0.000) 7.241 2.363 ( 7.101 1.421 0.000) 7.241 2.501 ( -1.978 -1.343 0.000) 2.391 2.501 ( 1.978 -1.343 0.000) 2.391 2.571 ( -6.063 -1.537 0.000) 6.254 2.571 ( 6.063 -1.537 0.000) 6.254 2.662 ( -3.443 2.872 0.000) 4.484 2.662 ( 3.443 2.872 0.000) 4.484 2.689 ( -2.506 5.230 0.000) 5.800 2.689 ( 2.506 5.230 0.000) 5.800 2.791 ( -2.557 4.268 0.000) 4.976 2.791 ( 2.557 4.268 0.000) 4.976 2.905 ( -2.734 -1.960 0.000) 3.364 2.905 ( 2.734 -1.960 0.000) 3.364 3.163 ( -1.326 -4.173 0.000) 4.379 3.163 ( 1.326 -4.173 0.000) 4.379 3.196 ( -1.062 -1.767 0.000) 2.061 3.196 ( 1.062 -1.767 0.000) 2.061 3.374 ( -3.188 -6.514 0.000) 7.252 3.374 ( 3.188 -6.514 0.000) 7.252 3.419 ( -0.261 -0.899 0.000) 0.936 3.419 ( 0.261 -0.899 0.000) 0.936 3.524 ( -2.569 -4.669 0.000) 5.329 3.524 ( 2.569 -4.669 0.000) 5.329 3.756 ( -0.620 6.007 0.000) 6.039 3.756 ( 0.620 6.007 0.000) 6.039 3.819 ( -4.470 8.249 0.000) 9.382 3.819 ( 4.470 8.249 0.000) 9.382 4.597 ( -1.032 -0.301 0.000) 1.075 4.597 ( 1.032 -0.301 0.000) 1.075 4.643 ( -2.136 -1.081 0.000) 2.394 4.643 ( 2.136 -1.081 0.000) 2.394 4.964 ( -2.765 -0.916 0.000) 2.913 4.964 ( 2.765 -0.916 0.000) 2.913 5.120 ( -0.554 -4.278 0.000) 4.314 5.120 ( 0.554 -4.278 0.000) 4.314======================= Grid point 10 (7/63) =======================q-point: ( 0.00 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 63Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.503 ( 0.000 11.985 0.000) 11.985 0.577 ( 0.000 15.850 0.000) 15.850 0.805 ( 0.000 4.193 0.000) 4.193 0.950 ( 0.000 18.949 0.000) 18.949 1.005 ( 0.000 1.120 0.000) 1.120 1.038 ( 0.000 -2.724 0.000) 2.724 1.053 ( 0.000 6.767 0.000) 6.767 1.126 ( 0.000 -0.465 0.000) 0.465 1.190 ( 0.000 5.764 0.000) 5.764 1.256 ( 0.000 13.507 0.000) 13.507 1.324 ( 0.000 8.069 0.000) 8.069 1.340 ( 0.000 0.720 0.000) 0.720 1.391 ( 0.000 5.674 0.000) 5.674 1.415 ( 0.000 2.088 0.000) 2.088 1.475 ( 0.000 7.704 0.000) 7.704 1.528 ( 0.000 3.980 0.000) 3.980 1.589 ( 0.000 1.989 0.000) 1.989 1.594 ( 0.000 8.445 0.000) 8.445 1.601 ( 0.000 8.646 0.000) 8.646 1.645 ( 0.000 5.740 0.000) 5.740 1.677 ( 0.000 -2.156 0.000) 2.156 1.799 ( 0.000 -8.304 0.000) 8.304 1.877 ( 0.000 7.460 0.000) 7.460 1.878 ( 0.000 6.762 0.000) 6.762 1.942 ( 0.000 -4.310 0.000) 4.310 1.966 ( 0.000 3.253 0.000) 3.253 1.988 ( 0.000 2.084 0.000) 2.084 1.997 ( 0.000 -1.825 0.000) 1.825 2.036 ( 0.000 -0.582 0.000) 0.582 2.040 ( 0.000 13.158 0.000) 13.158 2.089 ( 0.000 -0.980 0.000) 0.980 2.148 ( 0.000 5.246 0.000) 5.246 2.205 ( 0.000 -2.734 0.000) 2.734 2.235 ( 0.000 8.214 0.000) 8.214 2.255 ( 0.000 -6.289 0.000) 6.289 2.288 ( 0.000 -3.610 0.000) 3.610 2.436 ( 0.000 -1.057 0.000) 1.057 2.483 ( 0.000 6.460 0.000) 6.460 2.513 ( 0.000 0.882 0.000) 0.882 2.573 ( 0.000 0.949 0.000) 0.949 2.616 ( 0.000 2.424 0.000) 2.424 2.663 ( 0.000 0.187 0.000) 0.187 2.673 ( 0.000 4.088 0.000) 4.088 2.749 ( 0.000 3.830 0.000) 3.830 2.764 ( 0.000 5.391 0.000) 5.391 2.773 ( 0.000 4.530 0.000) 4.530 2.789 ( 0.000 -2.155 0.000) 2.155 2.829 ( 0.000 -3.863 0.000) 3.863 2.922 ( 0.000 -2.912 0.000) 2.912 2.940 ( 0.000 -5.142 0.000) 5.142 3.007 ( 0.000 -5.802 0.000) 5.802 3.037 ( 0.000 -5.373 0.000) 5.373 3.118 ( 0.000 -0.421 0.000) 0.421 3.129 ( 0.000 -1.330 0.000) 1.330 3.203 ( 0.000 -3.773 0.000) 3.773 3.208 ( 0.000 -0.889 0.000) 0.889 3.409 ( 0.000 -2.543 0.000) 2.543 3.418 ( 0.000 0.119 0.000) 0.119 3.472 ( 0.000 -5.242 0.000) 5.242 3.498 ( 0.000 2.239 0.000) 2.239 3.848 ( 0.000 4.844 0.000) 4.844 3.853 ( 0.000 3.532 0.000) 3.532 3.883 ( 0.000 4.747 0.000) 4.747 4.189 ( 0.000 -1.985 0.000) 1.985 4.550 ( 0.000 0.022 0.000) 0.022 4.562 ( 0.000 -0.678 0.000) 0.678 4.642 ( 0.000 -0.467 0.000) 0.467 4.649 ( 0.000 -1.669 0.000) 1.669 4.881 ( 0.000 -0.693 0.000) 0.693 4.931 ( 0.000 -1.336 0.000) 1.336 5.003 ( 0.000 -1.832 0.000) 1.832 5.033 ( 0.000 -2.333 0.000) 2.333======================= Grid point 11 (8/63) =======================q-point: ( 0.25 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.624 ( 9.664 8.591 0.000) 12.930 0.630 ( 4.943 13.627 0.000) 14.495 0.775 ( -2.075 4.741 0.000) 5.175 0.916 ( -5.990 0.835 0.000) 6.048 1.016 ( -4.427 1.473 0.000) 4.665 1.034 ( 6.372 17.227 0.000) 18.368 1.053 ( -2.100 8.139 0.000) 8.406 1.089 ( -0.651 6.169 0.000) 6.204 1.155 ( 2.086 3.612 0.000) 4.171 1.263 ( -4.976 7.409 0.000) 8.924 1.318 ( 3.962 4.080 0.000) 5.687 1.353 ( 1.777 2.645 0.000) 3.186 1.444 ( 0.266 4.115 0.000) 4.123 1.459 ( 4.510 2.675 0.000) 5.243 1.506 ( -0.664 6.328 0.000) 6.363 1.510 ( -0.740 4.445 0.000) 4.506 1.558 ( -1.627 4.818 0.000) 5.085 1.577 ( -2.307 7.428 0.000) 7.778 1.622 ( 2.625 6.955 0.000) 7.434 1.645 ( -0.874 7.032 0.000) 7.086 1.703 ( 2.523 -1.933 0.000) 3.178 1.738 ( -0.840 -3.739 0.000) 3.832 1.752 ( -6.312 4.472 0.000) 7.736 1.864 ( -3.386 5.715 0.000) 6.643 1.879 ( -6.251 2.184 0.000) 6.622 1.961 ( -3.409 5.699 0.000) 6.641 1.970 ( -0.841 -0.083 0.000) 0.845 2.047 ( -6.700 -0.851 0.000) 6.754 2.070 ( 7.968 -3.385 0.000) 8.658 2.108 ( 3.028 4.357 0.000) 5.306 2.134 ( 6.589 -1.520 0.000) 6.762 2.143 ( 4.712 0.264 0.000) 4.720 2.191 ( 3.327 7.258 0.000) 7.984 2.245 ( 1.088 6.083 0.000) 6.180 2.267 ( 0.697 -5.635 0.000) 5.678 2.380 ( -0.031 -1.979 0.000) 1.979 2.433 ( 0.931 -1.731 0.000) 1.966 2.441 ( -3.751 6.290 0.000) 7.323 2.493 ( -2.867 -1.224 0.000) 3.117 2.540 ( -1.515 3.688 0.000) 3.987 2.575 ( -3.270 2.554 0.000) 4.149 2.618 ( -0.292 2.528 0.000) 2.545 2.641 ( -3.428 -1.076 0.000) 3.593 2.745 ( -2.517 -0.254 0.000) 2.529 2.769 ( 0.697 4.999 0.000) 5.048 2.772 ( 0.964 2.603 0.000) 2.776 2.823 ( 3.094 4.440 0.000) 5.412 2.826 ( 1.074 -2.186 0.000) 2.435 2.920 ( -3.240 -3.195 0.000) 4.550 2.976 ( -3.258 -1.027 0.000) 3.416 3.007 ( 4.736 -3.841 0.000) 6.098 3.021 ( 0.726 -1.309 0.000) 1.497 3.132 ( 4.557 -5.884 0.000) 7.443 3.166 ( -0.166 -2.002 0.000) 2.009 3.199 ( 0.459 -4.183 0.000) 4.208 3.245 ( 2.191 -3.960 0.000) 4.526 3.407 ( -0.746 -0.342 0.000) 0.820 3.411 ( 0.165 -2.495 0.000) 2.500 3.470 ( -0.252 -3.663 0.000) 3.671 3.484 ( -1.314 1.850 0.000) 2.269 3.849 ( 0.341 4.196 0.000) 4.210 3.875 ( 2.150 4.439 0.000) 4.933 3.876 ( -0.685 4.621 0.000) 4.672 4.080 ( -8.326 2.170 0.000) 8.604 4.570 ( 1.146 -0.383 0.000) 1.208 4.582 ( 1.836 -1.091 0.000) 2.136 4.619 ( -1.554 -0.323 0.000) 1.587 4.646 ( -0.902 -1.597 0.000) 1.834 4.900 ( 1.813 -0.846 0.000) 2.000 4.965 ( 0.924 -2.611 0.000) 2.770 5.002 ( 1.213 -2.607 0.000) 2.875 5.039 ( 0.465 -2.946 0.000) 2.982======================= Grid point 12 (9/63) =======================q-point: (-0.50 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 57Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.725 ( -3.820 8.260 0.000) 9.101 0.725 ( 3.820 8.260 0.000) 9.101 0.790 ( -7.280 4.956 0.000) 8.807 0.790 ( 7.280 4.956 0.000) 8.807 0.976 ( -1.443 4.946 0.000) 5.152 0.976 ( 1.443 4.946 0.000) 5.152 1.099 ( -1.903 8.979 0.000) 9.179 1.099 ( 1.903 8.979 0.000) 9.179 1.295 ( -7.878 3.110 0.000) 8.470 1.295 ( 7.878 3.110 0.000) 8.470 1.299 ( -10.309 12.050 0.000) 15.858 1.299 ( 10.309 12.050 0.000) 15.858 1.423 ( -5.309 -3.208 0.000) 6.203 1.423 ( 5.309 -3.208 0.000) 6.203 1.515 ( -0.479 5.315 0.000) 5.337 1.515 ( 0.479 5.315 0.000) 5.337 1.545 ( -0.013 7.059 0.000) 7.059 1.545 ( 0.013 7.059 0.000) 7.059 1.654 ( -0.971 8.816 0.000) 8.869 1.654 ( 0.971 8.816 0.000) 8.869 1.716 ( -0.177 -0.278 0.000) 0.330 1.716 ( 0.177 -0.278 0.000) 0.330 1.798 ( -0.923 3.626 0.000) 3.741 1.798 ( 0.923 3.626 0.000) 3.741 1.841 ( -7.715 -1.112 0.000) 7.794 1.841 ( 7.715 -1.112 0.000) 7.794 1.972 ( -1.245 2.388 0.000) 2.693 1.972 ( 1.245 2.388 0.000) 2.693 2.144 ( -0.333 2.439 0.000) 2.462 2.144 ( 0.333 2.439 0.000) 2.462 2.225 ( -5.249 -1.284 0.000) 5.404 2.225 ( 5.249 -1.284 0.000) 5.404 2.260 ( -0.113 2.890 0.000) 2.893 2.260 ( 0.113 2.890 0.000) 2.893 2.302 ( -5.216 -0.140 0.000) 5.217 2.302 ( 5.216 -0.140 0.000) 5.217 2.385 ( -1.841 1.496 0.000) 2.372 2.385 ( 1.841 1.496 0.000) 2.372 2.514 ( -3.626 1.667 0.000) 3.991 2.514 ( 3.626 1.667 0.000) 3.991 2.551 ( -3.683 0.238 0.000) 3.691 2.551 ( 3.683 0.238 0.000) 3.691 2.689 ( -4.173 0.469 0.000) 4.199 2.689 ( 4.173 0.469 0.000) 4.199 2.781 ( -0.312 4.200 0.000) 4.212 2.781 ( 0.312 4.200 0.000) 4.212 2.860 ( -1.985 -1.103 0.000) 2.271 2.860 ( 1.985 -1.103 0.000) 2.271 2.884 ( -3.131 3.048 0.000) 4.369 2.884 ( 3.131 3.048 0.000) 4.369 3.067 ( -0.206 -5.273 0.000) 5.277 3.067 ( 0.206 -5.273 0.000) 5.277 3.152 ( -0.385 -2.677 0.000) 2.705 3.152 ( 0.385 -2.677 0.000) 2.705 3.249 ( -2.094 -5.705 0.000) 6.077 3.249 ( 2.094 -5.705 0.000) 6.077 3.406 ( -0.656 -1.198 0.000) 1.366 3.406 ( 0.656 -1.198 0.000) 1.366 3.465 ( -0.111 -0.604 0.000) 0.614 3.465 ( 0.111 -0.604 0.000) 0.614 3.861 ( -0.820 4.350 0.000) 4.427 3.861 ( 0.820 4.350 0.000) 4.427 3.944 ( -5.306 4.456 0.000) 6.928 3.944 ( 5.306 4.456 0.000) 6.928 4.592 ( -1.219 -0.205 0.000) 1.236 4.592 ( 1.219 -0.205 0.000) 1.236 4.618 ( -1.857 -1.400 0.000) 2.326 4.618 ( 1.857 -1.400 0.000) 2.326 4.941 ( -2.176 -1.364 0.000) 2.569 4.941 ( 2.176 -1.364 0.000) 2.569 5.037 ( -1.040 -3.951 0.000) 4.086 5.037 ( 1.040 -3.951 0.000) 4.086======================= Grid point 15 (10/63) =======================q-point: ( 0.00 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 54Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.720 ( 0.000 10.813 0.000) 10.813 0.869 ( 0.000 14.065 0.000) 14.065 0.903 ( 0.000 5.418 0.000) 5.418 0.980 ( 0.000 -2.683 0.000) 2.683 1.063 ( 0.000 4.884 0.000) 4.884 1.132 ( 0.000 3.842 0.000) 3.842 1.144 ( 0.000 2.601 0.000) 2.601 1.238 ( 0.000 8.691 0.000) 8.691 1.360 ( 0.000 10.392 0.000) 10.392 1.410 ( 0.000 1.692 0.000) 1.692 1.414 ( 0.000 6.290 0.000) 6.290 1.417 ( 0.000 4.396 0.000) 4.396 1.502 ( 0.000 6.729 0.000) 6.729 1.533 ( 0.000 7.788 0.000) 7.788 1.574 ( 0.000 1.533 0.000) 1.533 1.628 ( 0.000 1.784 0.000) 1.784 1.634 ( 0.000 -1.686 0.000) 1.686 1.639 ( 0.000 -7.703 0.000) 7.703 1.658 ( 0.000 10.499 0.000) 10.499 1.744 ( 0.000 5.357 0.000) 5.357 1.746 ( 0.000 5.409 0.000) 5.409 1.757 ( 0.000 4.883 0.000) 4.883 1.844 ( 0.000 -4.512 0.000) 4.512 1.972 ( 0.000 2.355 0.000) 2.355 1.980 ( 0.000 -0.764 0.000) 0.764 1.985 ( 0.000 -1.281 0.000) 1.281 1.990 ( 0.000 -1.366 0.000) 1.366 2.027 ( 0.000 7.298 0.000) 7.298 2.061 ( 0.000 -0.566 0.000) 0.566 2.117 ( 0.000 9.220 0.000) 9.220 2.125 ( 0.000 -5.444 0.000) 5.444 2.187 ( 0.000 -1.890 0.000) 1.890 2.195 ( 0.000 0.032 0.000) 0.032 2.245 ( 0.000 7.602 0.000) 7.602 2.349 ( 0.000 9.647 0.000) 9.647 2.376 ( 0.000 5.631 0.000) 5.631 2.456 ( 0.000 3.779 0.000) 3.779 2.485 ( 0.000 -1.052 0.000) 1.052 2.577 ( 0.000 2.851 0.000) 2.851 2.604 ( 0.000 -0.111 0.000) 0.111 2.623 ( 0.000 -2.424 0.000) 2.424 2.685 ( 0.000 1.666 0.000) 1.666 2.711 ( 0.000 -1.046 0.000) 1.046 2.728 ( 0.000 -3.346 0.000) 3.346 2.786 ( 0.000 0.370 0.000) 0.370 2.790 ( 0.000 -0.620 0.000) 0.620 2.840 ( 0.000 0.666 0.000) 0.666 2.850 ( 0.000 2.219 0.000) 2.219 2.869 ( 0.000 -1.461 0.000) 1.461 2.900 ( 0.000 -3.354 0.000) 3.354 2.906 ( 0.000 2.120 0.000) 2.120 2.950 ( 0.000 -2.322 0.000) 2.322 3.116 ( 0.000 -0.017 0.000) 0.017 3.119 ( 0.000 0.436 0.000) 0.436 3.120 ( 0.000 -4.508 0.000) 4.508 3.188 ( 0.000 -1.048 0.000) 1.048 3.385 ( 0.000 0.633 0.000) 0.633 3.422 ( 0.000 0.603 0.000) 0.603 3.450 ( 0.000 3.104 0.000) 3.104 3.538 ( 0.000 2.033 0.000) 2.033 3.896 ( 0.000 0.854 0.000) 0.854 3.907 ( 0.000 1.243 0.000) 1.243 3.939 ( 0.000 1.055 0.000) 1.055 4.136 ( 0.000 -3.559 0.000) 3.559 4.548 ( 0.000 -0.751 0.000) 0.751 4.551 ( 0.000 -0.096 0.000) 0.096 4.618 ( 0.000 -1.702 0.000) 1.702 4.630 ( 0.000 -0.918 0.000) 0.918 4.869 ( 0.000 -0.515 0.000) 0.515 4.905 ( 0.000 -1.224 0.000) 1.224 4.965 ( 0.000 -1.992 0.000) 1.992 4.987 ( 0.000 -2.327 0.000) 2.327======================= Grid point 16 (11/63) =======================q-point: ( 0.25 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.791 ( 5.966 8.752 0.000) 10.592 0.879 ( 0.648 10.465 0.000) 10.485 0.887 ( -0.808 6.248 0.000) 6.300 0.965 ( -2.795 5.155 0.000) 5.864 1.031 ( 0.663 0.969 0.000) 1.174 1.197 ( -3.046 7.247 0.000) 7.862 1.212 ( 4.136 6.876 0.000) 8.024 1.214 ( 2.929 4.266 0.000) 5.175 1.315 ( 4.475 8.447 0.000) 9.560 1.321 ( -2.518 1.719 0.000) 3.048 1.413 ( -5.797 6.577 0.000) 8.767 1.452 ( -3.940 -1.291 0.000) 4.146 1.459 ( -3.276 2.744 0.000) 4.273 1.529 ( 1.204 4.174 0.000) 4.344 1.604 ( 2.644 3.685 0.000) 4.535 1.621 ( -1.131 0.618 0.000) 1.289 1.623 ( 2.945 1.796 0.000) 3.449 1.644 ( 0.835 6.023 0.000) 6.081 1.707 ( 0.682 2.453 0.000) 2.546 1.714 ( 2.239 3.907 0.000) 4.503 1.766 ( 0.346 4.229 0.000) 4.243 1.793 ( 3.381 7.260 0.000) 8.009 1.828 ( -8.869 3.097 0.000) 9.395 1.924 ( -2.784 1.715 0.000) 3.270 1.951 ( -7.193 -2.929 0.000) 7.766 1.981 ( -3.826 5.346 0.000) 6.574 1.981 ( 4.795 -1.242 0.000) 4.953 2.010 ( 5.102 -1.331 0.000) 5.272 2.094 ( -1.743 0.835 0.000) 1.933 2.112 ( 5.685 -0.050 0.000) 5.685 2.156 ( 2.980 4.051 0.000) 5.029 2.175 ( 3.524 -1.438 0.000) 3.806 2.200 ( -2.350 6.070 0.000) 6.509 2.347 ( -1.205 2.910 0.000) 3.149 2.357 ( 3.656 0.310 0.000) 3.669 2.362 ( -1.654 4.989 0.000) 5.256 2.436 ( 2.955 5.223 0.000) 6.001 2.468 ( -5.081 -0.752 0.000) 5.136 2.546 ( -3.161 4.147 0.000) 5.214 2.583 ( -1.107 0.325 0.000) 1.153 2.587 ( -2.410 -2.507 0.000) 3.478 2.648 ( -0.367 0.115 0.000) 0.385 2.650 ( -3.816 2.520 0.000) 4.573 2.708 ( -1.477 -3.170 0.000) 3.497 2.800 ( 2.178 0.977 0.000) 2.388 2.822 ( 1.887 0.209 0.000) 1.899 2.841 ( -0.377 1.633 0.000) 1.676 2.877 ( 1.013 0.483 0.000) 1.122 2.889 ( -0.012 0.733 0.000) 0.733 2.928 ( 1.367 -0.387 0.000) 1.421 2.943 ( 3.718 -1.843 0.000) 4.150 3.017 ( 6.078 -5.108 0.000) 7.939 3.045 ( -4.250 1.606 0.000) 4.543 3.122 ( 0.634 -3.601 0.000) 3.657 3.133 ( -0.748 -1.181 0.000) 1.398 3.193 ( -0.100 -1.850 0.000) 1.853 3.388 ( 0.339 0.759 0.000) 0.831 3.408 ( -0.916 1.355 0.000) 1.636 3.466 ( 1.177 2.607 0.000) 2.860 3.524 ( -1.412 2.286 0.000) 2.687 3.898 ( 0.445 0.976 0.000) 1.073 3.929 ( 2.084 1.040 0.000) 2.329 3.931 ( -0.801 1.052 0.000) 1.322 4.080 ( -4.826 -1.732 0.000) 5.127 4.560 ( 1.157 -0.989 0.000) 1.522 4.566 ( 1.259 -0.420 0.000) 1.327 4.607 ( -0.993 -1.232 0.000) 1.583 4.619 ( -1.077 -1.143 0.000) 1.570 4.884 ( 1.414 -0.758 0.000) 1.605 4.922 ( 1.064 -1.821 0.000) 2.109 4.959 ( -0.257 -2.017 0.000) 2.034 4.986 ( -0.262 -2.585 0.000) 2.598======================= Grid point 17 (12/63) =======================q-point: (-0.50 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 54Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.883 ( -0.203 7.403 0.000) 7.406 0.883 ( 0.203 7.403 0.000) 7.406 0.894 ( -4.304 6.096 0.000) 7.462 0.894 ( 4.304 6.096 0.000) 7.462 1.089 ( -4.739 6.976 0.000) 8.433 1.089 ( 4.739 6.976 0.000) 8.433 1.270 ( -1.929 8.260 0.000) 8.483 1.270 ( 1.929 8.260 0.000) 8.483 1.340 ( -2.403 -2.775 0.000) 3.671 1.340 ( 2.403 -2.775 0.000) 3.671 1.372 ( -2.838 4.435 0.000) 5.265 1.372 ( 2.838 4.435 0.000) 5.265 1.512 ( -11.352 7.154 0.000) 13.419 1.512 ( 11.352 7.154 0.000) 13.419 1.561 ( -2.908 -0.785 0.000) 3.012 1.561 ( 2.908 -0.785 0.000) 3.012 1.663 ( -0.896 5.863 0.000) 5.931 1.663 ( 0.896 5.863 0.000) 5.931 1.733 ( -0.179 2.310 0.000) 2.317 1.733 ( 0.179 2.310 0.000) 2.317 1.787 ( -4.548 -1.100 0.000) 4.679 1.787 ( 4.548 -1.100 0.000) 4.679 1.846 ( -0.667 6.334 0.000) 6.369 1.846 ( 0.667 6.334 0.000) 6.369 1.889 ( -4.783 5.658 0.000) 7.409 1.889 ( 4.783 5.658 0.000) 7.409 2.041 ( -3.171 2.556 0.000) 4.073 2.041 ( 3.171 2.556 0.000) 4.073 2.152 ( -4.627 -0.331 0.000) 4.639 2.152 ( 4.627 -0.331 0.000) 4.639 2.186 ( -3.445 -0.244 0.000) 3.454 2.186 ( 3.445 -0.244 0.000) 3.454 2.281 ( -6.528 -1.505 0.000) 6.699 2.281 ( 6.528 -1.505 0.000) 6.699 2.318 ( -0.388 2.489 0.000) 2.519 2.318 ( 0.388 2.489 0.000) 2.519 2.467 ( -4.867 4.719 0.000) 6.779 2.467 ( 4.867 4.719 0.000) 6.779 2.538 ( -4.690 1.625 0.000) 4.964 2.538 ( 4.690 1.625 0.000) 4.964 2.577 ( -1.133 1.591 0.000) 1.953 2.577 ( 1.133 1.591 0.000) 1.953 2.680 ( -1.868 -1.778 0.000) 2.579 2.680 ( 1.868 -1.778 0.000) 2.579 2.834 ( -0.915 1.334 0.000) 1.618 2.834 ( 0.915 1.334 0.000) 1.618 2.857 ( -1.739 1.136 0.000) 2.077 2.857 ( 1.739 1.136 0.000) 2.077 2.919 ( -2.264 0.043 0.000) 2.265 2.919 ( 2.264 0.043 0.000) 2.265 2.991 ( -1.352 -1.527 0.000) 2.040 2.991 ( 1.352 -1.527 0.000) 2.040 3.100 ( -2.590 -2.452 0.000) 3.567 3.100 ( 2.590 -2.452 0.000) 3.567 3.165 ( -2.906 -3.074 0.000) 4.230 3.165 ( 2.906 -3.074 0.000) 4.230 3.396 ( -0.433 1.201 0.000) 1.277 3.396 ( 0.433 1.201 0.000) 1.277 3.492 ( -1.625 2.676 0.000) 3.131 3.492 ( 1.625 2.676 0.000) 3.131 3.913 ( -0.978 1.033 0.000) 1.423 3.913 ( 0.978 1.033 0.000) 1.423 3.988 ( -4.168 0.324 0.000) 4.181 3.988 ( 4.168 0.324 0.000) 4.181 4.585 ( -1.277 -0.947 0.000) 1.589 4.585 ( 1.277 -0.947 0.000) 1.589 4.593 ( -1.502 -0.990 0.000) 1.799 4.593 ( 1.502 -0.990 0.000) 1.799 4.915 ( -1.490 -1.314 0.000) 1.987 4.915 ( 1.490 -1.314 0.000) 1.987 4.973 ( -1.081 -2.771 0.000) 2.974 4.973 ( 1.081 -2.771 0.000) 2.974======================= Grid point 20 (13/63) =======================q-point: ( 0.00 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 63Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.926 ( 0.000 10.668 0.000) 10.668 0.960 ( 0.000 0.999 0.000) 0.999 0.996 ( 0.000 4.407 0.000) 4.407 1.093 ( 0.000 8.773 0.000) 8.773 1.179 ( 0.000 1.316 0.000) 1.316 1.189 ( 0.000 7.854 0.000) 7.854 1.225 ( 0.000 5.747 0.000) 5.747 1.340 ( 0.000 1.507 0.000) 1.507 1.427 ( 0.000 -1.561 0.000) 1.561 1.471 ( 0.000 1.029 0.000) 1.029 1.515 ( 0.000 -2.825 0.000) 2.825 1.520 ( 0.000 6.384 0.000) 6.384 1.546 ( 0.000 5.952 0.000) 5.952 1.597 ( 0.000 0.777 0.000) 0.777 1.601 ( 0.000 -1.694 0.000) 1.694 1.634 ( 0.000 5.929 0.000) 5.929 1.649 ( 0.000 4.839 0.000) 4.839 1.668 ( 0.000 3.258 0.000) 3.258 1.717 ( 0.000 -4.994 0.000) 4.994 1.811 ( 0.000 2.472 0.000) 2.472 1.821 ( 0.000 2.307 0.000) 2.307 1.851 ( 0.000 7.951 0.000) 7.951 1.864 ( 0.000 2.995 0.000) 2.995 1.933 ( 0.000 -4.506 0.000) 4.506 1.957 ( 0.000 0.466 0.000) 0.466 1.958 ( 0.000 -0.900 0.000) 0.900 1.964 ( 0.000 -2.452 0.000) 2.452 2.058 ( 0.000 -0.773 0.000) 0.773 2.134 ( 0.000 2.903 0.000) 2.903 2.140 ( 0.000 8.809 0.000) 8.809 2.160 ( 0.000 -0.527 0.000) 0.527 2.217 ( 0.000 2.530 0.000) 2.530 2.332 ( 0.000 11.438 0.000) 11.438 2.353 ( 0.000 0.724 0.000) 0.724 2.397 ( 0.000 -0.567 0.000) 0.567 2.431 ( 0.000 0.217 0.000) 0.217 2.534 ( 0.000 -6.127 0.000) 6.127 2.544 ( 0.000 -4.622 0.000) 4.622 2.565 ( 0.000 -4.250 0.000) 4.250 2.577 ( 0.000 7.367 0.000) 7.367 2.604 ( 0.000 9.018 0.000) 9.018 2.627 ( 0.000 -6.159 0.000) 6.159 2.686 ( 0.000 -0.430 0.000) 0.430 2.707 ( 0.000 0.488 0.000) 0.488 2.758 ( 0.000 -2.344 0.000) 2.344 2.792 ( 0.000 -1.748 0.000) 1.748 2.818 ( 0.000 -1.065 0.000) 1.065 2.836 ( 0.000 3.747 0.000) 3.747 2.906 ( 0.000 1.528 0.000) 1.528 2.907 ( 0.000 0.837 0.000) 0.837 2.956 ( 0.000 1.705 0.000) 1.705 2.974 ( 0.000 3.908 0.000) 3.908 3.046 ( 0.000 -3.017 0.000) 3.017 3.127 ( 0.000 1.087 0.000) 1.087 3.129 ( 0.000 0.358 0.000) 0.358 3.165 ( 0.000 -1.468 0.000) 1.468 3.447 ( 0.000 5.768 0.000) 5.768 3.488 ( 0.000 5.653 0.000) 5.653 3.528 ( 0.000 4.733 0.000) 4.733 3.582 ( 0.000 2.717 0.000) 2.717 3.885 ( 0.000 -1.877 0.000) 1.877 3.901 ( 0.000 -1.763 0.000) 1.763 3.928 ( 0.000 -2.050 0.000) 2.050 4.052 ( 0.000 -5.184 0.000) 5.184 4.532 ( 0.000 -0.845 0.000) 0.845 4.542 ( 0.000 -0.765 0.000) 0.765 4.582 ( 0.000 -1.981 0.000) 1.981 4.603 ( 0.000 -1.858 0.000) 1.858 4.863 ( 0.000 -0.096 0.000) 0.096 4.886 ( 0.000 -0.775 0.000) 0.775 4.929 ( 0.000 -1.749 0.000) 1.749 4.945 ( 0.000 -2.061 0.000) 2.061======================= Grid point 21 (14/63) =======================q-point: ( 0.25 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.958 ( 2.727 8.482 0.000) 8.909 0.975 ( 1.379 2.079 0.000) 2.495 1.000 ( 0.663 5.538 0.000) 5.577 1.084 ( -4.712 6.629 0.000) 8.133 1.137 ( 3.834 7.788 0.000) 8.681 1.256 ( 5.400 0.478 0.000) 5.421 1.327 ( -2.740 3.017 0.000) 4.076 1.342 ( 3.429 5.395 0.000) 6.393 1.391 ( -5.589 2.821 0.000) 6.260 1.393 ( -1.481 5.585 0.000) 5.778 1.426 ( 3.962 -0.249 0.000) 3.970 1.484 ( -3.705 0.349 0.000) 3.721 1.485 ( -5.370 1.169 0.000) 5.496 1.587 ( -3.896 1.489 0.000) 4.171 1.624 ( -0.260 0.470 0.000) 0.538 1.662 ( 5.061 2.424 0.000) 5.612 1.701 ( 2.598 6.943 0.000) 7.413 1.752 ( 2.020 4.554 0.000) 4.982 1.755 ( -1.187 2.714 0.000) 2.962 1.794 ( 1.597 1.196 0.000) 1.995 1.796 ( -4.652 0.216 0.000) 4.657 1.870 ( -4.446 -0.125 0.000) 4.448 1.872 ( 4.328 -2.452 0.000) 4.974 1.909 ( 6.047 0.537 0.000) 6.071 1.917 ( -2.372 0.738 0.000) 2.484 1.964 ( 0.392 -0.496 0.000) 0.632 2.007 ( 2.249 3.202 0.000) 3.913 2.019 ( -3.734 -2.005 0.000) 4.238 2.056 ( -0.481 0.409 0.000) 0.631 2.184 ( 4.992 8.070 0.000) 9.489 2.233 ( 2.902 4.262 0.000) 5.156 2.299 ( -6.652 -4.927 0.000) 8.278 2.321 ( -0.971 10.033 0.000) 10.080 2.322 ( 1.872 2.502 0.000) 3.125 2.364 ( 3.997 1.671 0.000) 4.332 2.412 ( -2.589 0.167 0.000) 2.595 2.472 ( -7.597 1.388 0.000) 7.723 2.506 ( -0.947 -5.454 0.000) 5.536 2.549 ( -1.462 -3.319 0.000) 3.627 2.581 ( 0.144 -1.764 0.000) 1.770 2.602 ( 1.592 4.678 0.000) 4.941 2.630 ( 0.483 2.098 0.000) 2.153 2.633 ( -3.659 -2.749 0.000) 4.577 2.699 ( -1.572 2.113 0.000) 2.633 2.787 ( 2.474 -2.449 0.000) 3.482 2.831 ( 1.947 -0.562 0.000) 2.027 2.857 ( 1.715 3.414 0.000) 3.821 2.880 ( 3.282 -0.485 0.000) 3.318 2.898 ( -0.346 0.623 0.000) 0.712 2.949 ( 2.529 0.793 0.000) 2.651 2.964 ( -1.097 3.029 0.000) 3.222 2.969 ( 3.569 0.163 0.000) 3.573 3.068 ( 2.216 -2.033 0.000) 3.008 3.074 ( -3.830 1.268 0.000) 4.035 3.123 ( -1.705 -0.049 0.000) 1.705 3.161 ( -0.920 -1.644 0.000) 1.884 3.452 ( 0.546 5.787 0.000) 5.813 3.480 ( -0.699 5.800 0.000) 5.842 3.538 ( 0.864 4.499 0.000) 4.581 3.575 ( -0.732 3.120 0.000) 3.205 3.889 ( 0.467 -1.848 0.000) 1.907 3.918 ( 1.671 -2.041 0.000) 2.638 3.920 ( -0.749 -2.009 0.000) 2.144 4.021 ( -2.803 -4.273 0.000) 5.110 4.539 ( 0.747 -1.070 0.000) 1.305 4.553 ( 0.933 -0.985 0.000) 1.357 4.575 ( -0.672 -1.856 0.000) 1.974 4.594 ( -0.906 -1.666 0.000) 1.897 4.873 ( 0.944 -0.367 0.000) 1.013 4.895 ( 0.671 -1.065 0.000) 1.258 4.924 ( -0.356 -1.652 0.000) 1.690 4.941 ( -0.430 -2.067 0.000) 2.111======================= Grid point 22 (15/63) =======================q-point: (-0.50 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 57Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.995 ( -0.099 4.012 0.000) 4.013 0.995 ( 0.099 4.012 0.000) 4.013 1.021 ( -1.946 7.272 0.000) 7.528 1.021 ( 1.946 7.272 0.000) 7.528 1.226 ( -4.649 5.580 0.000) 7.263 1.226 ( 4.649 5.580 0.000) 7.263 1.314 ( -0.297 1.364 0.000) 1.396 1.314 ( 0.297 1.364 0.000) 1.396 1.381 ( -3.215 3.451 0.000) 4.716 1.381 ( 3.215 3.451 0.000) 4.716 1.481 ( -3.849 2.085 0.000) 4.377 1.481 ( 3.849 2.085 0.000) 4.377 1.531 ( -5.612 2.499 0.000) 6.143 1.531 ( 5.612 2.499 0.000) 6.143 1.599 ( -10.832 2.810 0.000) 11.190 1.599 ( 10.832 2.810 0.000) 11.190 1.723 ( -0.277 1.144 0.000) 1.177 1.723 ( 0.277 1.144 0.000) 1.177 1.766 ( -0.580 0.212 0.000) 0.617 1.766 ( 0.580 0.212 0.000) 0.617 1.814 ( -1.472 3.765 0.000) 4.043 1.814 ( 1.472 3.765 0.000) 4.043 1.938 ( -1.804 3.150 0.000) 3.630 1.938 ( 1.804 3.150 0.000) 3.630 1.954 ( -3.539 -0.331 0.000) 3.554 1.954 ( 3.539 -0.331 0.000) 3.554 2.036 ( -1.603 0.643 0.000) 1.727 2.036 ( 1.603 0.643 0.000) 1.727 2.100 ( -10.567 -4.444 0.000) 11.464 2.100 ( 10.567 -4.444 0.000) 11.464 2.302 ( -3.276 8.975 0.000) 9.554 2.302 ( 3.276 8.975 0.000) 9.554 2.312 ( -1.583 5.511 0.000) 5.734 2.312 ( 1.583 5.511 0.000) 5.734 2.341 ( -1.758 -0.944 0.000) 1.995 2.341 ( 1.758 -0.944 0.000) 1.995 2.490 ( -4.270 -1.656 0.000) 4.579 2.490 ( 4.270 -1.656 0.000) 4.579 2.532 ( -0.931 -2.434 0.000) 2.606 2.532 ( 0.931 -2.434 0.000) 2.606 2.616 ( -0.569 -4.388 0.000) 4.425 2.616 ( 0.569 -4.388 0.000) 4.425 2.655 ( -2.543 5.563 0.000) 6.117 2.655 ( 2.543 5.563 0.000) 6.117 2.834 ( -1.944 -1.836 0.000) 2.674 2.834 ( 1.944 -1.836 0.000) 2.674 2.885 ( -0.854 2.594 0.000) 2.732 2.885 ( 0.854 2.594 0.000) 2.732 2.929 ( -2.331 1.558 0.000) 2.804 2.929 ( 2.331 1.558 0.000) 2.804 2.999 ( -3.505 1.220 0.000) 3.711 2.999 ( 3.505 1.220 0.000) 3.711 3.066 ( -4.298 -1.096 0.000) 4.435 3.066 ( 4.298 -1.096 0.000) 4.435 3.122 ( -2.938 -1.678 0.000) 3.383 3.122 ( 2.938 -1.678 0.000) 3.383 3.466 ( -0.768 5.861 0.000) 5.911 3.466 ( 0.768 5.861 0.000) 5.911 3.557 ( -1.054 3.928 0.000) 4.067 3.557 ( 1.054 3.928 0.000) 4.067 3.903 ( -0.930 -1.916 0.000) 2.130 3.903 ( 0.930 -1.916 0.000) 2.130 3.963 ( -2.931 -2.846 0.000) 4.085 3.963 ( 2.931 -2.846 0.000) 4.085 4.558 ( -1.064 -1.534 0.000) 1.867 4.558 ( 1.064 -1.534 0.000) 1.867 4.573 ( -1.105 -1.300 0.000) 1.706 4.573 ( 1.105 -1.300 0.000) 1.706 4.893 ( -0.910 -0.903 0.000) 1.283 4.893 ( 0.910 -0.903 0.000) 1.283 4.928 ( -0.760 -1.897 0.000) 2.043 4.928 ( 0.760 -1.897 0.000) 2.043======================= Grid point 25 (16/63) =======================q-point: ( 0.00 0.42 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 54Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.020 ( 0.000 4.892 0.000) 4.892 1.062 ( 0.000 3.915 0.000) 3.915 1.148 ( 0.000 10.989 0.000) 10.989 1.182 ( 0.000 -1.214 0.000) 1.214 1.192 ( 0.000 0.587 0.000) 0.587 1.321 ( 0.000 -1.938 0.000) 1.938 1.336 ( 0.000 7.313 0.000) 7.313 1.356 ( 0.000 7.481 0.000) 7.481 1.358 ( 0.000 -3.481 0.000) 3.481 1.476 ( 0.000 0.801 0.000) 0.801 1.507 ( 0.000 0.291 0.000) 0.291 1.532 ( 0.000 -3.959 0.000) 3.959 1.574 ( 0.000 -2.513 0.000) 2.513 1.577 ( 0.000 -6.260 0.000) 6.260 1.606 ( 0.000 -0.122 0.000) 0.122 1.673 ( 0.000 4.985 0.000) 4.985 1.710 ( 0.000 -1.634 0.000) 1.634 1.739 ( 0.000 4.902 0.000) 4.902 1.777 ( 0.000 6.309 0.000) 6.309 1.805 ( 0.000 -0.982 0.000) 0.982 1.827 ( 0.000 -1.519 0.000) 1.519 1.860 ( 0.000 -1.539 0.000) 1.539 1.926 ( 0.000 -0.073 0.000) 0.073 1.934 ( 0.000 5.137 0.000) 5.137 1.989 ( 0.000 4.429 0.000) 4.429 1.998 ( 0.000 6.469 0.000) 6.469 2.050 ( 0.000 7.921 0.000) 7.921 2.052 ( 0.000 -1.149 0.000) 1.149 2.145 ( 0.000 -2.053 0.000) 2.053 2.172 ( 0.000 2.282 0.000) 2.282 2.270 ( 0.000 2.456 0.000) 2.456 2.283 ( 0.000 -4.007 0.000) 4.007 2.343 ( 0.000 10.806 0.000) 10.806 2.351 ( 0.000 -5.858 0.000) 5.858 2.394 ( 0.000 -1.985 0.000) 1.985 2.409 ( 0.000 -6.084 0.000) 6.084 2.432 ( 0.000 -5.748 0.000) 5.748 2.448 ( 0.000 -6.568 0.000) 6.568 2.480 ( 0.000 -7.031 0.000) 7.031 2.558 ( 0.000 8.395 0.000) 8.395 2.665 ( 0.000 -4.094 0.000) 4.094 2.701 ( 0.000 -1.062 0.000) 1.062 2.734 ( 0.000 2.351 0.000) 2.351 2.736 ( 0.000 7.094 0.000) 7.094 2.746 ( 0.000 4.948 0.000) 4.948 2.821 ( 0.000 0.911 0.000) 0.911 2.823 ( 0.000 4.358 0.000) 4.358 2.887 ( 0.000 0.450 0.000) 0.450 2.905 ( 0.000 -0.918 0.000) 0.918 2.918 ( 0.000 -0.047 0.000) 0.047 2.979 ( 0.000 0.184 0.000) 0.184 2.999 ( 0.000 -2.131 0.000) 2.131 3.038 ( 0.000 2.583 0.000) 2.583 3.106 ( 0.000 -2.331 0.000) 2.331 3.150 ( 0.000 1.076 0.000) 1.076 3.156 ( 0.000 0.516 0.000) 0.516 3.587 ( 0.000 8.040 0.000) 8.040 3.615 ( 0.000 7.052 0.000) 7.052 3.626 ( 0.000 5.438 0.000) 5.438 3.647 ( 0.000 3.889 0.000) 3.889 3.827 ( 0.000 -4.139 0.000) 4.139 3.844 ( 0.000 -4.107 0.000) 4.107 3.869 ( 0.000 -3.762 0.000) 3.762 3.938 ( 0.000 -6.530 0.000) 6.530 4.518 ( 0.000 -0.578 0.000) 0.578 4.525 ( 0.000 -0.898 0.000) 0.898 4.548 ( 0.000 -1.328 0.000) 1.328 4.564 ( 0.000 -1.938 0.000) 1.938 4.866 ( 0.000 0.485 0.000) 0.485 4.877 ( 0.000 -0.115 0.000) 0.115 4.900 ( 0.000 -1.253 0.000) 1.253 4.909 ( 0.000 -1.665 0.000) 1.665======================= Grid point 26 (17/63) =======================q-point: ( 0.25 0.42 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.030 ( 1.078 4.146 0.000) 4.284 1.091 ( 2.927 5.182 0.000) 5.952 1.113 ( -2.649 5.874 0.000) 6.444 1.208 ( 1.086 -1.288 0.000) 1.685 1.233 ( 2.542 -2.066 0.000) 3.276 1.234 ( -4.264 8.418 0.000) 9.436 1.312 ( 0.181 -4.251 0.000) 4.254 1.393 ( 4.421 1.874 0.000) 4.802 1.410 ( -2.674 2.740 0.000) 3.829 1.477 ( 0.141 3.236 0.000) 3.239 1.481 ( 3.796 2.653 0.000) 4.631 1.546 ( -3.631 2.612 0.000) 4.473 1.556 ( -4.210 5.446 0.000) 6.884 1.593 ( 3.584 -2.990 0.000) 4.667 1.617 ( -3.450 3.964 0.000) 5.255 1.668 ( 3.481 -1.221 0.000) 3.689 1.713 ( 9.151 -5.900 0.000) 10.888 1.752 ( -5.207 -3.719 0.000) 6.398 1.777 ( -1.465 -2.341 0.000) 2.761 1.796 ( -0.016 -2.623 0.000) 2.623 1.823 ( 0.511 0.576 0.000) 0.770 1.884 ( -3.281 4.085 0.000) 5.239 1.897 ( -3.418 4.537 0.000) 5.680 1.900 ( 1.889 4.255 0.000) 4.655 1.962 ( 2.218 4.914 0.000) 5.391 2.036 ( -4.008 3.181 0.000) 5.117 2.042 ( 1.085 6.093 0.000) 6.189 2.083 ( 0.081 1.189 0.000) 1.192 2.094 ( 2.759 5.042 0.000) 5.747 2.186 ( -6.106 -5.215 0.000) 8.030 2.250 ( 0.274 -2.742 0.000) 2.756 2.323 ( -2.146 -1.914 0.000) 2.875 2.325 ( 6.246 -0.552 0.000) 6.271 2.366 ( 0.851 -2.737 0.000) 2.866 2.382 ( -0.312 -1.018 0.000) 1.064 2.389 ( 0.307 1.630 0.000) 1.659 2.434 ( 0.797 -4.804 0.000) 4.869 2.485 ( -0.790 -3.093 0.000) 3.193 2.485 ( 2.384 -4.905 0.000) 5.453 2.526 ( -2.846 6.828 0.000) 7.397 2.620 ( -4.859 -0.485 0.000) 4.883 2.650 ( -4.759 5.792 0.000) 7.496 2.712 ( 2.403 -3.602 0.000) 4.330 2.757 ( 1.295 2.979 0.000) 3.249 2.765 ( -0.032 6.464 0.000) 6.464 2.827 ( -0.940 -1.380 0.000) 1.670 2.894 ( 4.428 1.047 0.000) 4.550 2.905 ( 1.395 0.452 0.000) 1.466 2.908 ( 1.986 1.339 0.000) 2.395 2.952 ( 2.832 0.054 0.000) 2.832 2.986 ( 1.467 0.613 0.000) 1.590 3.021 ( -1.820 2.521 0.000) 3.109 3.034 ( 3.026 -1.752 0.000) 3.497 3.077 ( -2.751 -1.124 0.000) 2.972 3.126 ( -2.514 0.520 0.000) 2.568 3.141 ( -1.599 -0.209 0.000) 1.612 3.591 ( 0.437 7.960 0.000) 7.972 3.611 ( -0.394 7.271 0.000) 7.282 3.632 ( 0.484 5.291 0.000) 5.313 3.646 ( -0.106 4.184 0.000) 4.185 3.831 ( 0.464 -4.091 0.000) 4.118 3.855 ( 1.087 -4.468 0.000) 4.599 3.861 ( -0.748 -3.856 0.000) 3.928 3.920 ( -1.673 -6.099 0.000) 6.325 4.522 ( 0.418 -0.654 0.000) 0.777 4.532 ( 0.612 -1.094 0.000) 1.254 4.543 ( -0.436 -1.225 0.000) 1.300 4.559 ( -0.564 -1.765 0.000) 1.853 4.871 ( 0.473 0.239 0.000) 0.530 4.881 ( 0.347 -0.325 0.000) 0.476 4.897 ( -0.196 -1.105 0.000) 1.123 4.906 ( -0.273 -1.535 0.000) 1.559======================= Grid point 27 (18/63) =======================q-point: (-0.50 0.42 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 54Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.061 ( -2.242 3.471 0.000) 4.132 1.061 ( 2.242 3.471 0.000) 4.132 1.159 ( -3.493 6.689 0.000) 7.546 1.159 ( 3.493 6.689 0.000) 7.546 1.232 ( -0.637 -2.954 0.000) 3.022 1.232 ( 0.637 -2.954 0.000) 3.022 1.379 ( -1.679 -0.902 0.000) 1.906 1.379 ( 1.679 -0.902 0.000) 1.906 1.446 ( -2.616 4.672 0.000) 5.355 1.446 ( 2.616 4.672 0.000) 5.355 1.476 ( -3.694 4.112 0.000) 5.528 1.476 ( 3.694 4.112 0.000) 5.528 1.589 ( -3.009 -0.332 0.000) 3.027 1.589 ( 3.009 -0.332 0.000) 3.027 1.688 ( -3.066 4.681 0.000) 5.595 1.688 ( 3.066 4.681 0.000) 5.595 1.731 ( -0.609 -2.556 0.000) 2.627 1.731 ( 0.609 -2.556 0.000) 2.627 1.749 ( -1.004 1.925 0.000) 2.171 1.749 ( 1.004 1.925 0.000) 2.171 1.851 ( -0.116 -1.434 0.000) 1.439 1.851 ( 0.116 -1.434 0.000) 1.439 1.936 ( -6.055 -4.561 0.000) 7.581 1.936 ( 6.055 -4.561 0.000) 7.581 1.956 ( -5.934 3.000 0.000) 6.649 1.956 ( 5.934 3.000 0.000) 6.649 2.055 ( -0.106 4.847 0.000) 4.848 2.055 ( 0.106 4.847 0.000) 4.848 2.125 ( -0.851 4.674 0.000) 4.751 2.125 ( 0.851 4.674 0.000) 4.751 2.275 ( -2.336 -4.724 0.000) 5.270 2.275 ( 2.336 -4.724 0.000) 5.270 2.371 ( -0.454 -4.089 0.000) 4.114 2.371 ( 0.454 -4.089 0.000) 4.114 2.433 ( -2.604 0.543 0.000) 2.660 2.433 ( 2.604 0.543 0.000) 2.660 2.452 ( -4.930 -0.462 0.000) 4.952 2.452 ( 4.930 -0.462 0.000) 4.952 2.490 ( -3.641 1.388 0.000) 3.896 2.490 ( 3.641 1.388 0.000) 3.896 2.572 ( -2.747 2.292 0.000) 3.577 2.572 ( 2.747 2.292 0.000) 3.577 2.757 ( -1.228 3.425 0.000) 3.638 2.757 ( 1.228 3.425 0.000) 3.638 2.786 ( -2.305 -1.585 0.000) 2.797 2.786 ( 2.305 -1.585 0.000) 2.797 2.926 ( -0.455 0.297 0.000) 0.543 2.926 ( 0.455 0.297 0.000) 0.543 2.969 ( -3.414 2.393 0.000) 4.170 2.969 ( 3.414 2.393 0.000) 4.170 3.014 ( -3.521 0.126 0.000) 3.523 3.014 ( 3.521 0.126 0.000) 3.523 3.056 ( -4.570 0.259 0.000) 4.577 3.056 ( 4.570 0.259 0.000) 4.577 3.095 ( -3.018 -1.131 0.000) 3.223 3.095 ( 3.018 -1.131 0.000) 3.223 3.602 ( -0.551 7.696 0.000) 7.716 3.602 ( 0.551 7.696 0.000) 7.716 3.641 ( -0.380 4.802 0.000) 4.816 3.641 ( 0.380 4.802 0.000) 4.816 3.844 ( -0.891 -4.015 0.000) 4.113 3.844 ( 0.891 -4.015 0.000) 4.113 3.884 ( -1.886 -5.235 0.000) 5.565 3.884 ( 1.886 -5.235 0.000) 5.565 4.533 ( -0.644 -0.946 0.000) 1.145 4.533 ( 0.644 -0.946 0.000) 1.145 4.545 ( -0.747 -1.421 0.000) 1.605 4.545 ( 0.747 -1.421 0.000) 1.605 4.881 ( -0.432 -0.268 0.000) 0.509 4.881 ( 0.432 -0.268 0.000) 0.509 4.899 ( -0.403 -1.183 0.000) 1.250 4.899 ( 0.403 -1.183 0.000) 1.250======================= Grid point 30 (19/63) =======================q-point: ( 0.00 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 36Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.128 ( 0.000 -5.660 0.000) 5.660 1.128 ( 0.000 5.660 0.000) 5.660 1.133 ( 0.000 -3.458 0.000) 3.458 1.133 ( 0.000 3.458 0.000) 3.458 1.302 ( 0.000 -0.629 0.000) 0.629 1.302 ( 0.000 0.629 0.000) 0.629 1.374 ( 0.000 -9.354 0.000) 9.354 1.374 ( 0.000 9.354 0.000) 9.354 1.461 ( 0.000 -1.913 0.000) 1.913 1.461 ( 0.000 1.913 0.000) 1.913 1.493 ( 0.000 -1.973 0.000) 1.973 1.493 ( 0.000 1.973 0.000) 1.973 1.518 ( 0.000 -1.179 0.000) 1.179 1.518 ( 0.000 1.179 0.000) 1.179 1.618 ( 0.000 -3.292 0.000) 3.292 1.618 ( 0.000 3.292 0.000) 3.292 1.767 ( 0.000 -4.246 0.000) 4.246 1.767 ( 0.000 4.246 0.000) 4.246 1.816 ( 0.000 -3.114 0.000) 3.114 1.816 ( 0.000 3.114 0.000) 3.114 1.829 ( 0.000 -0.603 0.000) 0.603 1.829 ( 0.000 0.603 0.000) 0.603 1.990 ( 0.000 -4.956 0.000) 4.956 1.990 ( 0.000 4.956 0.000) 4.956 2.055 ( 0.000 -6.465 0.000) 6.465 2.055 ( 0.000 6.465 0.000) 6.465 2.066 ( 0.000 -1.124 0.000) 1.124 2.066 ( 0.000 1.124 0.000) 1.124 2.211 ( 0.000 -8.221 0.000) 8.221 2.211 ( 0.000 8.221 0.000) 8.221 2.229 ( 0.000 -2.949 0.000) 2.949 2.229 ( 0.000 2.949 0.000) 2.949 2.323 ( 0.000 -3.558 0.000) 3.558 2.323 ( 0.000 3.558 0.000) 3.558 2.348 ( 0.000 -1.767 0.000) 1.767 2.348 ( 0.000 1.767 0.000) 1.767 2.388 ( 0.000 -1.550 0.000) 1.550 2.388 ( 0.000 1.550 0.000) 1.550 2.532 ( 0.000 -8.368 0.000) 8.368 2.532 ( 0.000 8.368 0.000) 8.368 2.667 ( 0.000 -2.691 0.000) 2.691 2.667 ( 0.000 2.691 0.000) 2.691 2.810 ( 0.000 -1.305 0.000) 1.305 2.810 ( 0.000 1.305 0.000) 1.305 2.830 ( 0.000 -5.703 0.000) 5.703 2.830 ( 0.000 5.703 0.000) 5.703 2.847 ( 0.000 -2.722 0.000) 2.722 2.847 ( 0.000 2.722 0.000) 2.722 2.911 ( 0.000 -1.262 0.000) 1.262 2.911 ( 0.000 1.262 0.000) 1.262 2.971 ( 0.000 -0.110 0.000) 0.110 2.971 ( 0.000 0.110 0.000) 0.110 3.073 ( 0.000 -1.295 0.000) 1.295 3.073 ( 0.000 1.295 0.000) 1.295 3.162 ( 0.000 -0.115 0.000) 0.115 3.162 ( 0.000 0.115 0.000) 0.115 3.701 ( 0.000 -0.845 0.000) 0.845 3.701 ( 0.000 0.845 0.000) 0.845 3.731 ( 0.000 -4.424 0.000) 4.424 3.731 ( 0.000 4.424 0.000) 4.424 3.746 ( 0.000 -5.119 0.000) 5.119 3.746 ( 0.000 5.119 0.000) 5.119 3.828 ( 0.000 -2.438 0.000) 2.438 3.828 ( 0.000 2.438 0.000) 2.438 4.514 ( 0.000 -0.194 0.000) 0.194 4.514 ( 0.000 0.194 0.000) 0.194 4.539 ( 0.000 -0.502 0.000) 0.502 4.539 ( 0.000 0.502 0.000) 0.502 4.882 ( 0.000 -1.118 0.000) 1.118 4.882 ( 0.000 -0.602 0.000) 0.602 4.882 ( 0.000 0.602 0.000) 0.602 4.882 ( 0.000 1.118 0.000) 1.118======================= Grid point 32 (20/63) =======================q-point: ( 0.25 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 42Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.128 ( 0.076 -5.505 0.000) 5.505 1.128 ( 0.076 5.505 0.000) 5.505 1.171 ( 1.547 -2.293 0.000) 2.766 1.171 ( 1.547 2.293 0.000) 2.766 1.220 ( -1.429 -3.749 0.000) 4.012 1.220 ( -1.429 3.749 0.000) 4.012 1.383 ( -4.637 -6.061 0.000) 7.631 1.383 ( -4.637 6.061 0.000) 7.631 1.479 ( 3.565 -4.687 0.000) 5.888 1.479 ( 3.565 4.687 0.000) 5.888 1.536 ( 2.066 -3.219 0.000) 3.825 1.536 ( 2.066 3.219 0.000) 3.825 1.571 ( 7.159 -2.967 0.000) 7.750 1.571 ( 7.159 2.967 0.000) 7.750 1.674 ( -0.025 -2.846 0.000) 2.846 1.674 ( -0.025 2.846 0.000) 2.846 1.698 ( -3.304 -4.735 0.000) 5.774 1.698 ( -3.304 4.735 0.000) 5.774 1.722 ( -2.368 -4.479 0.000) 5.066 1.722 ( -2.368 4.479 0.000) 5.066 1.859 ( 0.646 -2.011 0.000) 2.113 1.859 ( 0.646 2.011 0.000) 2.113 2.000 ( -6.810 -5.116 0.000) 8.517 2.000 ( -6.810 5.116 0.000) 8.517 2.059 ( -0.129 -6.163 0.000) 6.164 2.059 ( -0.129 6.163 0.000) 6.164 2.072 ( 3.007 -1.827 0.000) 3.519 2.072 ( 3.007 1.827 0.000) 3.519 2.182 ( -0.925 -3.200 0.000) 3.331 2.182 ( -0.925 3.200 0.000) 3.331 2.212 ( 0.054 -7.619 0.000) 7.619 2.212 ( 0.054 7.619 0.000) 7.619 2.317 ( 0.266 -2.128 0.000) 2.145 2.317 ( 0.266 2.128 0.000) 2.145 2.341 ( -0.535 -4.412 0.000) 4.444 2.341 ( -0.535 4.412 0.000) 4.444 2.429 ( 2.625 -2.174 0.000) 3.408 2.429 ( 2.625 2.174 0.000) 3.408 2.556 ( 0.424 -5.490 0.000) 5.506 2.556 ( 0.424 5.490 0.000) 5.506 2.630 ( -1.436 -3.424 0.000) 3.713 2.630 ( -1.436 3.424 0.000) 3.713 2.763 ( -3.986 -4.983 0.000) 6.381 2.763 ( -3.986 4.983 0.000) 6.381 2.852 ( 1.590 -5.239 0.000) 5.475 2.852 ( 1.590 5.239 0.000) 5.475 2.863 ( 1.332 -3.687 0.000) 3.920 2.863 ( 1.332 3.687 0.000) 3.920 2.950 ( 2.755 -1.469 0.000) 3.122 2.950 ( 2.755 1.469 0.000) 3.122 3.000 ( 3.128 -1.534 0.000) 3.484 3.000 ( 3.128 1.534 0.000) 3.484 3.055 ( -1.829 -1.158 0.000) 2.165 3.055 ( -1.829 1.158 0.000) 2.165 3.138 ( -2.466 -0.403 0.000) 2.499 3.138 ( -2.466 0.403 0.000) 2.499 3.706 ( 0.532 -0.727 0.000) 0.900 3.706 ( 0.532 0.727 0.000) 0.901 3.729 ( -0.346 -1.989 0.000) 2.019 3.729 ( -0.346 1.989 0.000) 2.019 3.755 ( 1.039 -3.017 0.000) 3.191 3.755 ( 1.039 3.017 0.000) 3.191 3.814 ( -1.346 -2.226 0.000) 2.601 3.814 ( -1.346 2.226 0.000) 2.601 4.518 ( 0.383 -0.290 0.000) 0.480 4.518 ( 0.383 0.290 0.000) 0.480 4.535 ( -0.359 -0.461 0.000) 0.584 4.535 ( -0.359 0.461 0.000) 0.584 4.882 ( 0.054 -0.916 0.000) 0.918 4.882 ( 0.055 -0.420 0.000) 0.424 4.882 ( 0.055 0.420 0.000) 0.424 4.882 ( 0.054 0.916 0.000) 0.918======================= Grid point 34 (21/63) =======================q-point: (-0.50 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 33Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.140 ( -1.484 -4.600 0.000) 4.833 1.140 ( 1.484 -4.600 0.000) 4.833 1.140 ( -1.484 4.600 0.000) 4.833 1.140 ( 1.484 4.600 0.000) 4.833 1.295 ( -4.947 -5.958 0.000) 7.744 1.295 ( 4.947 -5.958 0.000) 7.744 1.295 ( -4.947 5.958 0.000) 7.744 1.295 ( 4.947 5.958 0.000) 7.744 1.538 ( -3.604 -4.269 0.000) 5.587 1.538 ( 3.604 -4.269 0.000) 5.587 1.538 ( -3.604 4.269 0.000) 5.587 1.538 ( 3.604 4.269 0.000) 5.587 1.606 ( -1.340 -7.178 0.000) 7.302 1.606 ( 1.340 -7.178 0.000) 7.302 1.606 ( -1.340 7.178 0.000) 7.302 1.606 ( 1.340 7.178 0.000) 7.302 1.800 ( -5.484 -3.502 0.000) 6.507 1.800 ( 5.484 -3.502 0.000) 6.507 1.800 ( -5.484 3.502 0.000) 6.507 1.800 ( 5.484 3.502 0.000) 6.507 1.817 ( -1.083 -4.516 0.000) 4.644 1.817 ( 1.083 -4.516 0.000) 4.644 1.817 ( -1.083 4.516 0.000) 4.644 1.817 ( 1.083 4.516 0.000) 4.644 2.073 ( -1.188 -5.570 0.000) 5.695 2.073 ( 1.188 -5.570 0.000) 5.695 2.073 ( -1.188 5.570 0.000) 5.695 2.073 ( 1.188 5.570 0.000) 5.695 2.206 ( -1.037 -4.715 0.000) 4.828 2.206 ( 1.037 -4.715 0.000) 4.828 2.206 ( -1.037 4.715 0.000) 4.828 2.206 ( 1.037 4.715 0.000) 4.828 2.330 ( -0.736 -4.418 0.000) 4.479 2.330 ( 0.736 -4.418 0.000) 4.479 2.330 ( -0.736 4.418 0.000) 4.479 2.330 ( 0.736 4.418 0.000) 4.479 2.494 ( -4.380 -1.460 0.000) 4.617 2.494 ( -4.380 1.460 0.000) 4.617 2.494 ( 4.380 -1.460 0.000) 4.617 2.494 ( 4.380 1.460 0.000) 4.617 2.679 ( -4.392 -6.215 0.000) 7.610 2.679 ( 4.392 -6.215 0.000) 7.610 2.679 ( -4.392 6.215 0.000) 7.610 2.679 ( 4.392 6.215 0.000) 7.610 2.873 ( -0.390 -4.961 0.000) 4.976 2.873 ( 0.390 -4.961 0.000) 4.976 2.873 ( -0.390 4.961 0.000) 4.976 2.873 ( 0.390 4.961 0.000) 4.976 3.007 ( -3.003 -1.152 0.000) 3.216 3.007 ( -3.003 1.152 0.000) 3.216 3.007 ( 3.003 -1.152 0.000) 3.216 3.007 ( 3.003 1.152 0.000) 3.216 3.073 ( -3.991 -1.223 0.000) 4.174 3.073 ( -3.991 1.223 0.000) 4.174 3.073 ( 3.991 -1.223 0.000) 4.174 3.073 ( 3.991 1.223 0.000) 4.174 3.718 ( -0.667 -0.431 0.000) 0.794 3.718 ( 0.667 -0.431 0.000) 0.794 3.718 ( -0.667 0.432 0.000) 0.794 3.718 ( 0.667 0.432 0.000) 0.794 3.783 ( -1.726 -1.981 0.000) 2.628 3.783 ( 1.726 -1.981 0.000) 2.628 3.783 ( -1.726 1.981 0.000) 2.628 3.783 ( 1.726 1.981 0.000) 2.628 4.527 ( -0.509 -0.384 0.000) 0.638 4.527 ( 0.509 -0.384 0.000) 0.638 4.527 ( -0.509 0.384 0.000) 0.638 4.527 ( 0.509 0.384 0.000) 0.638 4.883 ( -0.004 -0.462 0.000) 0.462 4.883 ( 0.004 -0.462 0.000) 0.462 4.883 ( -0.004 0.462 0.000) 0.462 4.883 ( 0.004 0.462 0.000) 0.462======================= Grid point 65 (22/63) =======================q-point: ( 0.00 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 42Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.260 ( 0.000 0.000 13.573) 13.573 0.284 ( 0.000 0.000 15.323) 15.323 0.497 ( 0.000 0.000 26.385) 26.385 0.659 ( 0.000 0.000 -6.573) 6.573 0.837 ( 0.000 0.000 -13.647) 13.647 0.853 ( 0.000 0.000 3.951) 3.951 0.972 ( 0.000 0.000 4.833) 4.833 1.062 ( 0.000 0.000 -5.173) 5.173 1.121 ( 0.000 0.000 -0.077) 0.077 1.160 ( 0.000 0.000 0.154) 0.154 1.172 ( 0.000 0.000 -0.677) 0.677 1.273 ( 0.000 0.000 -1.712) 1.712 1.275 ( 0.000 0.000 4.266) 4.266 1.278 ( 0.000 0.000 1.422) 1.422 1.332 ( 0.000 0.000 -0.997) 0.997 1.347 ( 0.000 0.000 3.279) 3.279 1.387 ( 0.000 0.000 -18.207) 18.207 1.472 ( 0.000 0.000 -0.551) 0.551 1.564 ( 0.000 0.000 0.839) 0.839 1.565 ( 0.000 0.000 3.295) 3.295 1.591 ( 0.000 0.000 -0.043) 0.043 1.663 ( 0.000 0.000 -1.314) 1.314 1.664 ( 0.000 0.000 -2.630) 2.630 1.720 ( 0.000 0.000 -2.955) 2.955 1.880 ( 0.000 0.000 -2.283) 2.283 1.949 ( 0.000 0.000 -1.738) 1.738 1.951 ( 0.000 0.000 1.296) 1.296 2.008 ( 0.000 0.000 -1.130) 1.130 2.081 ( 0.000 0.000 0.359) 0.359 2.081 ( 0.000 0.000 3.005) 3.005 2.099 ( 0.000 0.000 -0.403) 0.403 2.150 ( 0.000 0.000 4.690) 4.690 2.176 ( 0.000 0.000 5.298) 5.298 2.289 ( 0.000 0.000 -4.084) 4.084 2.320 ( 0.000 0.000 7.134) 7.134 2.397 ( 0.000 0.000 1.504) 1.504 2.445 ( 0.000 0.000 1.484) 1.484 2.468 ( 0.000 0.000 -1.034) 1.034 2.469 ( 0.000 0.000 -1.555) 1.555 2.536 ( 0.000 0.000 0.378) 0.378 2.544 ( 0.000 0.000 -0.722) 0.722 2.554 ( 0.000 0.000 -0.370) 0.370 2.582 ( 0.000 0.000 -3.614) 3.614 2.627 ( 0.000 0.000 0.253) 0.253 2.640 ( 0.000 0.000 -0.281) 0.281 2.660 ( 0.000 0.000 -4.646) 4.646 2.769 ( 0.000 0.000 6.002) 6.002 2.820 ( 0.000 0.000 -0.806) 0.806 2.931 ( 0.000 0.000 -0.730) 0.730 3.041 ( 0.000 0.000 2.333) 2.333 3.058 ( 0.000 0.000 -3.326) 3.326 3.143 ( 0.000 0.000 -1.209) 1.209 3.173 ( 0.000 0.000 -0.418) 0.418 3.208 ( 0.000 0.000 -0.418) 0.418 3.352 ( 0.000 0.000 4.635) 4.635 3.449 ( 0.000 0.000 0.888) 0.888 3.472 ( 0.000 0.000 -1.392) 1.392 3.486 ( 0.000 0.000 -0.540) 0.540 3.659 ( 0.000 0.000 0.452) 0.452 3.665 ( 0.000 0.000 0.506) 0.506 3.679 ( 0.000 0.000 -0.424) 0.424 3.688 ( 0.000 0.000 -0.471) 0.471 3.697 ( 0.000 0.000 1.243) 1.243 3.771 ( 0.000 0.000 -1.761) 1.761 4.558 ( 0.000 0.000 0.333) 0.333 4.575 ( 0.000 0.000 -0.385) 0.385 4.673 ( 0.000 0.000 1.759) 1.759 4.752 ( 0.000 0.000 -1.654) 1.654 4.963 ( 0.000 0.000 0.024) 0.024 4.963 ( 0.000 0.000 0.019) 0.019 5.048 ( 0.000 0.000 0.482) 0.482 5.080 ( 0.000 0.000 -0.890) 0.890======================= Grid point 66 (23/63) =======================q-point: ( 0.25 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 56Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.365 ( 9.175 0.000 9.514) 13.217 0.406 ( 10.617 0.000 9.914) 14.526 0.700 ( 16.761 0.000 16.733) 23.684 0.703 ( 4.147 0.000 -6.006) 7.299 0.755 ( -8.354 0.000 4.166) 9.335 0.831 ( -3.493 0.000 -5.474) 6.494 0.874 ( -4.662 0.000 -1.331) 4.848 0.963 ( -7.399 0.000 -4.721) 8.776 1.073 ( -5.856 0.000 -4.992) 7.695 1.203 ( -0.349 0.000 5.725) 5.736 1.211 ( 3.711 0.000 0.249) 3.719 1.231 ( 3.522 0.000 -0.788) 3.609 1.275 ( -0.351 0.000 1.227) 1.276 1.323 ( -1.006 0.000 -0.901) 1.350 1.348 ( 0.061 0.000 3.694) 3.695 1.363 ( 0.591 0.000 -6.667) 6.693 1.414 ( -0.518 0.000 0.566) 0.767 1.473 ( -4.072 0.000 -3.086) 5.109 1.488 ( -0.537 0.000 -1.751) 1.832 1.594 ( 5.372 0.000 -0.857) 5.440 1.610 ( 4.449 0.000 2.623) 5.165 1.661 ( -0.901 0.000 -3.733) 3.840 1.693 ( 3.161 0.000 -1.191) 3.378 1.828 ( 6.018 0.000 -6.648) 8.967 1.857 ( -6.924 0.000 1.176) 7.023 1.862 ( 1.686 0.000 3.626) 3.999 1.906 ( -6.860 0.000 -0.883) 6.916 1.923 ( -5.060 0.000 -0.789) 5.121 2.050 ( -4.620 0.000 -3.211) 5.626 2.087 ( -4.124 0.000 -0.682) 4.181 2.164 ( 5.878 0.000 0.667) 5.916 2.196 ( 6.398 0.000 -0.703) 6.437 2.210 ( -1.395 0.000 1.452) 2.014 2.233 ( 2.269 0.000 2.908) 3.688 2.312 ( -1.073 0.000 6.710) 6.795 2.359 ( -3.567 0.000 1.223) 3.771 2.413 ( -4.476 0.000 -1.023) 4.592 2.464 ( -2.375 0.000 -2.415) 3.387 2.487 ( -2.433 0.000 -1.280) 2.750 2.507 ( 1.130 0.000 -0.427) 1.208 2.571 ( 2.033 0.000 -0.098) 2.035 2.572 ( 1.800 0.000 -0.156) 1.806 2.596 ( 1.229 0.000 1.900) 2.263 2.620 ( -0.702 0.000 0.230) 0.739 2.632 ( -0.779 0.000 -0.281) 0.828 2.650 ( 4.171 0.000 -1.345) 4.383 2.748 ( -1.634 0.000 4.845) 5.114 2.801 ( -2.278 0.000 -0.198) 2.287 2.930 ( 0.277 0.000 1.822) 1.843 3.050 ( 1.671 0.000 -1.434) 2.202 3.082 ( -4.523 0.000 2.201) 5.031 3.148 ( 4.289 0.000 -1.383) 4.506 3.207 ( 0.212 0.000 -0.513) 0.555 3.258 ( 7.343 0.000 -3.456) 8.116 3.322 ( -1.673 0.000 4.666) 4.957 3.437 ( -1.765 0.000 -0.379) 1.805 3.477 ( 1.092 0.000 0.471) 1.189 3.507 ( 1.869 0.000 0.158) 1.876 3.660 ( 0.096 0.000 0.460) 0.470 3.662 ( -3.398 0.000 0.822) 3.496 3.664 ( -0.095 0.000 0.498) 0.507 3.681 ( 0.132 0.000 -0.430) 0.450 3.686 ( -5.049 0.000 0.879) 5.125 3.687 ( -0.128 0.000 -0.464) 0.482 4.586 ( 1.257 0.000 -0.127) 1.264 4.601 ( 2.301 0.000 -0.912) 2.475 4.645 ( -2.149 0.000 1.451) 2.593 4.695 ( -2.879 0.000 -0.244) 2.889 4.942 ( 1.643 0.000 2.100) 2.666 5.024 ( -1.524 0.000 -0.247) 1.544 5.098 ( 2.575 0.000 -2.257) 3.424 5.119 ( 3.403 0.000 -4.646) 5.759======================= Grid point 67 (24/63) =======================q-point: (-0.50 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 42Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.562 ( -10.653 0.000 5.877) 12.166 0.562 ( 10.653 0.000 5.877) 12.166 0.633 ( -12.191 0.000 5.398) 13.333 0.633 ( 12.191 0.000 5.398) 13.333 0.819 ( -7.109 0.000 -5.260) 8.843 0.819 ( 7.109 0.000 -5.260) 8.843 0.901 ( -2.667 0.000 -4.673) 5.380 0.901 ( 2.667 0.000 -4.673) 5.380 1.093 ( -12.294 0.000 4.148) 12.975 1.093 ( 12.294 0.000 4.148) 12.975 1.259 ( -1.329 0.000 0.726) 1.514 1.259 ( 1.329 0.000 0.726) 1.514 1.290 ( -2.453 0.000 -0.663) 2.541 1.290 ( 2.453 0.000 -0.663) 2.541 1.333 ( -2.909 0.000 6.118) 6.774 1.333 ( 2.909 0.000 6.118) 6.774 1.402 ( -0.716 0.000 -2.168) 2.283 1.402 ( 0.716 0.000 -2.168) 2.283 1.584 ( -5.996 0.000 -3.578) 6.982 1.584 ( 5.996 0.000 -3.578) 6.982 1.722 ( -6.822 0.000 1.612) 7.010 1.722 ( 6.822 0.000 1.612) 7.010 1.765 ( -10.059 0.000 -2.956) 10.484 1.765 ( 10.059 0.000 -2.956) 10.484 1.781 ( -5.819 0.000 -0.956) 5.897 1.781 ( 5.819 0.000 -0.956) 5.897 1.915 ( -4.120 0.000 -3.976) 5.725 1.915 ( 4.120 0.000 -3.976) 5.725 1.992 ( -4.436 0.000 -1.005) 4.549 1.992 ( 4.436 0.000 -1.005) 4.549 2.229 ( -2.079 0.000 2.128) 2.975 2.229 ( 2.079 0.000 2.128) 2.975 2.273 ( -5.237 0.000 0.903) 5.314 2.273 ( 5.237 0.000 0.903) 5.314 2.314 ( -5.719 0.000 -0.828) 5.779 2.314 ( 5.719 0.000 -0.828) 5.779 2.356 ( -5.047 0.000 1.698) 5.325 2.356 ( 5.047 0.000 1.698) 5.325 2.501 ( -1.090 0.000 -2.207) 2.462 2.501 ( 1.090 0.000 -2.207) 2.462 2.600 ( -1.237 0.000 0.087) 1.240 2.600 ( 1.237 0.000 0.087) 1.240 2.610 ( -1.501 0.000 -0.227) 1.518 2.610 ( 1.501 0.000 -0.227) 1.518 2.666 ( -4.427 0.000 4.597) 6.382 2.666 ( 4.427 0.000 4.597) 6.382 2.750 ( -2.905 0.000 -0.358) 2.927 2.750 ( 2.905 0.000 -0.358) 2.927 2.970 ( -3.984 0.000 3.910) 5.582 2.970 ( 3.984 0.000 3.910) 5.582 3.134 ( -3.645 0.000 -4.581) 5.855 3.134 ( 3.645 0.000 -4.581) 5.855 3.269 ( -3.855 0.000 2.895) 4.821 3.269 ( 3.855 0.000 2.895) 4.821 3.379 ( -4.466 0.000 -2.648) 5.192 3.379 ( 4.466 0.000 -2.648) 5.192 3.520 ( -2.088 0.000 2.994) 3.650 3.520 ( 2.088 0.000 2.994) 3.650 3.617 ( -1.199 0.000 -0.935) 1.521 3.617 ( 1.199 0.000 -0.935) 1.521 3.662 ( -0.135 0.000 0.479) 0.497 3.662 ( 0.135 0.000 0.479) 0.497 3.684 ( -0.184 0.000 -0.447) 0.483 3.684 ( 0.184 0.000 -0.447) 0.483 4.609 ( -1.302 0.000 0.781) 1.518 4.609 ( 1.302 0.000 0.781) 1.518 4.647 ( -2.340 0.000 -0.715) 2.447 4.647 ( 2.340 0.000 -0.715) 2.447 4.984 ( -2.410 0.000 1.097) 2.648 4.984 ( 2.410 0.000 1.097) 2.648 5.135 ( -1.097 0.000 -2.967) 3.163 5.135 ( 1.097 0.000 -2.967) 3.163======================= Grid point 70 (25/63) =======================q-point: ( 0.00 0.08 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.364 ( 0.000 8.684 9.316) 12.736 0.374 ( 0.000 8.191 10.539) 13.348 0.693 ( 0.000 17.551 15.505) 23.419 0.704 ( 0.000 3.567 -4.984) 6.129 0.835 ( 0.000 0.470 -11.838) 11.847 0.968 ( 0.000 6.999 2.486) 7.428 1.042 ( 0.000 9.980 5.130) 11.221 1.057 ( 0.000 0.070 -3.353) 3.354 1.131 ( 0.000 -0.554 -1.424) 1.528 1.180 ( 0.000 2.962 1.061) 3.146 1.184 ( 0.000 2.044 1.926) 2.808 1.282 ( 0.000 0.996 -3.194) 3.345 1.310 ( 0.000 3.745 0.674) 3.806 1.359 ( 0.000 3.117 2.078) 3.746 1.368 ( 0.000 7.366 -5.037) 8.924 1.415 ( 0.000 3.701 -1.891) 4.156 1.426 ( 0.000 7.034 -0.462) 7.049 1.476 ( 0.000 2.086 -0.721) 2.207 1.565 ( 0.000 1.073 -0.417) 1.152 1.572 ( 0.000 0.534 -0.575) 0.785 1.683 ( 0.000 -0.081 -2.369) 2.370 1.692 ( 0.000 7.678 -4.563) 8.931 1.726 ( 0.000 7.452 -0.813) 7.497 1.769 ( 0.000 5.270 0.655) 5.311 1.902 ( 0.000 2.698 -1.860) 3.277 1.932 ( 0.000 -0.008 -0.076) 0.076 1.968 ( 0.000 1.270 -2.564) 2.862 1.978 ( 0.000 -2.734 -1.884) 3.320 2.009 ( 0.000 -6.267 2.498) 6.746 2.056 ( 0.000 -2.644 0.123) 2.647 2.142 ( 0.000 1.417 3.311) 3.602 2.147 ( 0.000 0.501 4.876) 4.901 2.184 ( 0.000 3.559 5.030) 6.162 2.272 ( 0.000 -1.159 -0.132) 1.166 2.359 ( 0.000 -1.129 0.271) 1.161 2.376 ( 0.000 -6.110 -0.612) 6.140 2.401 ( 0.000 1.871 3.615) 4.071 2.457 ( 0.000 5.020 2.764) 5.731 2.476 ( 0.000 -2.936 0.586) 2.994 2.525 ( 0.000 3.044 -3.437) 4.591 2.566 ( 0.000 -0.404 -1.622) 1.671 2.579 ( 0.000 3.547 -1.063) 3.703 2.650 ( 0.000 6.071 -0.021) 6.071 2.666 ( 0.000 4.284 -0.968) 4.392 2.695 ( 0.000 4.078 0.468) 4.105 2.722 ( 0.000 -1.116 4.035) 4.187 2.806 ( 0.000 -1.401 -1.182) 1.834 2.846 ( 0.000 3.096 -4.379) 5.363 2.939 ( 0.000 2.657 -4.480) 5.208 3.011 ( 0.000 -4.651 -3.247) 5.672 3.015 ( 0.000 -2.552 2.434) 3.527 3.108 ( 0.000 -3.509 -0.925) 3.629 3.160 ( 0.000 -1.160 0.560) 1.288 3.194 ( 0.000 -1.505 -0.243) 1.524 3.303 ( 0.000 -4.045 3.382) 5.272 3.344 ( 0.000 -10.310 5.630) 11.747 3.441 ( 0.000 -2.197 -0.140) 2.202 3.460 ( 0.000 -2.220 -0.227) 2.232 3.473 ( 0.000 -1.053 1.982) 2.245 3.571 ( 0.000 -6.475 -1.730) 6.702 3.737 ( 0.000 6.189 0.277) 6.195 3.755 ( 0.000 5.536 -0.640) 5.573 3.805 ( 0.000 6.049 2.849) 6.687 4.033 ( 0.000 8.157 -11.059) 13.742 4.555 ( 0.000 -0.235 0.292) 0.375 4.570 ( 0.000 -0.466 -0.340) 0.577 4.666 ( 0.000 -0.639 1.503) 1.633 4.716 ( 0.000 -2.734 0.474) 2.775 4.923 ( 0.000 -2.124 1.879) 2.836 4.952 ( 0.000 -1.064 -0.163) 1.076 5.036 ( 0.000 -1.173 0.429) 1.249 5.064 ( 0.000 -1.515 -0.783) 1.705======================= Grid point 71 (26/63) =======================q-point: ( 0.25 0.08 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 96Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.437 ( 8.384 7.245 5.693) 12.458 0.524 ( 10.035 8.231 6.922) 14.709 0.715 ( 0.927 1.787 -3.188) 3.770 0.786 ( 5.084 9.328 7.523) 13.017 0.854 ( 2.007 2.238 -6.846) 7.477 0.881 ( -4.228 9.953 4.724) 11.800 0.931 ( -6.378 5.284 1.394) 8.399 0.984 ( -6.043 2.367 -2.542) 6.970 1.111 ( -4.481 4.186 -2.444) 6.601 1.204 ( 1.046 2.276 5.532) 6.072 1.235 ( 4.124 2.119 1.850) 4.992 1.293 ( 1.909 5.286 -1.687) 5.868 1.328 ( 3.220 4.461 -1.904) 5.822 1.376 ( 0.718 4.440 0.440) 4.519 1.387 ( -0.089 3.246 -2.826) 4.305 1.440 ( 0.419 5.313 -0.792) 5.389 1.463 ( 1.541 5.391 0.378) 5.620 1.491 ( -0.220 2.284 -3.766) 4.410 1.498 ( -4.572 2.447 1.052) 5.291 1.547 ( 0.357 1.411 1.480) 2.075 1.662 ( 0.335 1.099 -3.410) 3.598 1.678 ( 0.158 0.709 -3.734) 3.805 1.757 ( -0.114 4.979 -0.295) 4.989 1.810 ( -2.027 -0.548 -0.229) 2.113 1.847 ( -4.703 -2.390 -0.879) 5.349 1.876 ( -1.722 1.795 2.882) 3.807 1.913 ( 3.477 5.634 -3.903) 7.685 1.957 ( -1.462 1.445 -0.997) 2.284 2.079 ( -4.144 1.445 0.401) 4.407 2.104 ( -2.269 1.500 0.241) 2.731 2.147 ( 6.431 -2.984 0.443) 7.104 2.170 ( 3.351 0.902 0.008) 3.470 2.204 ( -0.095 -1.047 1.748) 2.040 2.215 ( 2.341 -1.268 3.612) 4.487 2.338 ( -1.232 2.821 1.506) 3.427 2.359 ( -2.013 -2.701 0.026) 3.368 2.427 ( -3.664 -0.110 0.765) 3.745 2.458 ( -0.984 0.081 -1.000) 1.405 2.473 ( -2.458 2.252 -0.142) 3.336 2.497 ( 1.246 0.408 1.377) 1.902 2.557 ( 2.966 -0.524 -1.299) 3.280 2.574 ( -0.566 0.385 1.252) 1.427 2.657 ( -0.148 4.869 0.271) 4.879 2.680 ( 0.131 4.357 0.699) 4.415 2.704 ( 0.396 3.812 -0.641) 3.886 2.725 ( 1.099 1.144 1.773) 2.379 2.752 ( -3.236 2.083 -0.926) 3.958 2.821 ( -2.855 3.971 -2.643) 5.559 2.907 ( -0.142 -1.920 1.507) 2.445 3.025 ( 3.216 -2.563 -2.575) 4.852 3.051 ( -5.039 -2.942 3.022) 6.571 3.112 ( 4.137 -3.312 -0.240) 5.305 3.192 ( -0.010 -1.459 -0.468) 1.532 3.224 ( 6.713 -3.194 -2.752) 7.928 3.278 ( -1.058 -3.711 3.923) 5.502 3.391 ( 0.225 -7.279 -0.209) 7.285 3.433 ( -0.007 -2.089 0.891) 2.271 3.458 ( 0.505 -4.598 0.484) 4.651 3.483 ( 0.718 -1.824 1.313) 2.360 3.558 ( -1.449 -5.792 -1.161) 6.082 3.745 ( 0.758 6.324 0.288) 6.376 3.759 ( 0.557 6.154 -0.432) 6.194 3.794 ( -0.877 6.114 1.894) 6.460 3.921 ( -7.715 9.462 -4.243) 12.925 4.579 ( 1.323 -0.549 -0.044) 1.433 4.593 ( 2.120 -0.747 -0.683) 2.349 4.640 ( -2.003 -0.448 1.301) 2.430 4.681 ( -2.338 -1.323 -0.068) 2.687 4.932 ( 1.716 -0.912 1.761) 2.623 5.005 ( -0.473 -1.991 -0.799) 2.196 5.059 ( 3.546 -3.499 -1.490) 5.199 5.081 ( 1.451 -2.308 -1.183) 2.971======================= Grid point 72 (27/63) =======================q-point: (-0.50 0.08 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.620 ( -8.625 4.651 3.123) 10.285 0.620 ( 8.625 4.651 3.123) 10.285 0.715 ( -7.152 7.579 5.020) 11.567 0.715 ( 7.152 7.579 5.020) 11.567 0.840 ( -2.953 2.461 -5.075) 6.367 0.840 ( 2.953 2.461 -5.075) 6.367 0.944 ( -2.215 4.039 -3.226) 5.623 0.944 ( 2.215 4.039 -3.226) 5.623 1.149 ( -8.814 6.447 4.842) 11.945 1.149 ( 8.814 6.447 4.842) 11.945 1.302 ( -3.258 2.809 2.480) 4.966 1.302 ( 3.258 2.809 2.480) 4.966 1.356 ( -1.737 6.609 0.011) 6.834 1.356 ( 1.737 6.609 0.011) 6.834 1.389 ( -2.514 5.823 1.267) 6.468 1.389 ( 2.514 5.823 1.267) 6.468 1.446 ( -0.817 3.357 -1.489) 3.762 1.446 ( 0.817 3.357 -1.489) 3.762 1.583 ( -3.598 0.447 -0.306) 3.639 1.583 ( 3.598 0.447 -0.306) 3.639 1.656 ( -3.779 -2.263 -4.574) 6.350 1.656 ( 3.779 -2.263 -4.574) 6.350 1.735 ( -5.240 -1.808 -2.697) 6.164 1.735 ( 5.240 -1.808 -2.697) 6.164 1.873 ( -4.487 5.624 1.564) 7.363 1.873 ( 4.487 5.624 1.564) 7.363 1.938 ( -4.905 0.581 0.531) 4.968 1.938 ( 4.905 0.581 0.531) 4.968 2.037 ( -3.860 5.199 -3.072) 7.167 2.037 ( 3.860 5.199 -3.072) 7.167 2.200 ( -1.399 -1.216 1.081) 2.146 2.200 ( 1.399 -1.216 1.081) 2.146 2.270 ( -4.035 -1.611 -0.135) 4.347 2.270 ( 4.035 -1.611 -0.135) 4.347 2.333 ( -2.979 -0.064 0.589) 3.037 2.333 ( 2.979 -0.064 0.589) 3.037 2.366 ( -2.837 1.941 1.106) 3.611 2.366 ( 2.837 1.941 1.106) 3.611 2.486 ( -1.623 0.291 -0.381) 1.692 2.486 ( 1.623 0.291 -0.381) 1.692 2.613 ( -3.357 -1.343 2.605) 4.456 2.613 ( 3.357 -1.343 2.605) 4.456 2.647 ( -2.940 2.490 -1.042) 3.991 2.647 ( 2.940 2.490 -1.042) 3.991 2.702 ( -1.348 4.432 1.215) 4.790 2.702 ( 1.348 4.432 1.215) 4.790 2.775 ( -2.133 3.048 -1.228) 3.918 2.775 ( 2.133 3.048 -1.228) 3.918 2.948 ( -3.999 -1.967 3.868) 5.901 2.948 ( 3.999 -1.967 3.868) 5.901 3.107 ( -3.601 -2.672 -4.102) 6.077 3.107 ( 3.601 -2.672 -4.102) 6.077 3.239 ( -3.291 -2.875 2.807) 5.194 3.239 ( 3.291 -2.875 2.807) 5.194 3.339 ( -4.635 -4.031 -2.506) 6.634 3.339 ( 4.635 -4.031 -2.506) 6.634 3.451 ( -1.308 -4.605 2.029) 5.199 3.451 ( 1.308 -4.605 2.029) 5.199 3.517 ( -2.491 -4.108 -0.577) 4.839 3.517 ( 2.491 -4.108 -0.577) 4.839 3.761 ( -0.783 6.425 0.544) 6.496 3.761 ( 0.783 6.425 0.544) 6.496 3.810 ( -3.502 7.764 -0.815) 8.556 3.810 ( 3.502 7.764 -0.815) 8.556 4.604 ( -1.314 -0.459 0.623) 1.525 4.604 ( 1.314 -0.459 0.623) 1.525 4.638 ( -2.175 -0.885 -0.522) 2.406 4.638 ( 2.175 -0.885 -0.522) 2.406 4.973 ( -2.214 -1.098 0.881) 2.624 4.973 ( 2.214 -1.098 0.881) 2.624 5.097 ( -0.370 -3.378 -2.003) 3.945 5.097 ( 0.370 -3.378 -2.003) 3.945======================= Grid point 75 (28/63) =======================q-point: ( 0.00 0.17 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.556 ( 0.000 10.095 5.416) 11.456 0.574 ( 0.000 12.511 1.291) 12.577 0.773 ( 0.000 3.687 -3.879) 5.352 0.873 ( 0.000 3.754 -8.971) 9.725 1.040 ( 0.000 15.911 6.285) 17.107 1.049 ( 0.000 -0.824 1.197) 1.453 1.098 ( 0.000 7.572 2.067) 7.850 1.134 ( 0.000 1.643 0.930) 1.888 1.223 ( 0.000 2.195 1.745) 2.804 1.258 ( 0.000 3.989 -2.428) 4.670 1.280 ( 0.000 11.184 2.055) 11.371 1.345 ( 0.000 5.781 -1.533) 5.980 1.403 ( 0.000 5.792 1.965) 6.117 1.459 ( 0.000 1.683 2.101) 2.692 1.459 ( 0.000 7.842 -0.900) 7.893 1.514 ( 0.000 4.771 -1.541) 5.014 1.572 ( 0.000 6.680 -2.259) 7.052 1.587 ( 0.000 8.674 0.067) 8.674 1.603 ( 0.000 3.281 0.380) 3.302 1.636 ( 0.000 5.243 -0.862) 5.313 1.682 ( 0.000 1.060 0.902) 1.392 1.772 ( 0.000 -0.866 -3.078) 3.197 1.870 ( 0.000 2.895 -1.348) 3.194 1.885 ( 0.000 2.082 -0.404) 2.121 1.907 ( 0.000 1.557 -2.824) 3.224 1.929 ( 0.000 0.188 -0.377) 0.422 1.966 ( 0.000 -0.364 -1.185) 1.240 2.001 ( 0.000 6.896 -4.287) 8.120 2.006 ( 0.000 1.322 0.528) 1.424 2.028 ( 0.000 6.669 -0.417) 6.682 2.149 ( 0.000 1.575 2.611) 3.049 2.151 ( 0.000 -0.364 4.130) 4.146 2.241 ( 0.000 -2.924 3.107) 4.267 2.267 ( 0.000 -4.358 1.545) 4.624 2.284 ( 0.000 -2.700 0.696) 2.788 2.307 ( 0.000 5.626 2.383) 6.110 2.436 ( 0.000 -1.050 0.142) 1.059 2.479 ( 0.000 2.079 -0.308) 2.101 2.541 ( 0.000 0.125 -2.074) 2.077 2.557 ( 0.000 4.630 3.363) 5.723 2.591 ( 0.000 3.599 -3.151) 4.784 2.644 ( 0.000 1.776 -0.325) 1.805 2.693 ( 0.000 -0.043 0.983) 0.984 2.758 ( 0.000 -0.154 -1.783) 1.790 2.767 ( 0.000 3.745 0.263) 3.755 2.767 ( 0.000 5.276 0.216) 5.281 2.793 ( 0.000 3.273 2.223) 3.957 2.822 ( 0.000 -2.798 0.046) 2.798 2.911 ( 0.000 -4.306 -1.919) 4.714 2.953 ( 0.000 -3.609 2.316) 4.288 2.991 ( 0.000 0.646 -4.009) 4.060 3.016 ( 0.000 -5.845 -0.121) 5.847 3.137 ( 0.000 -1.091 0.919) 1.426 3.144 ( 0.000 -3.445 1.653) 3.821 3.211 ( 0.000 -3.516 0.590) 3.565 3.218 ( 0.000 -4.861 1.215) 5.011 3.413 ( 0.000 -0.053 -0.390) 0.393 3.415 ( 0.000 -2.083 0.419) 2.125 3.459 ( 0.000 -4.263 -0.924) 4.362 3.486 ( 0.000 1.416 -1.127) 1.810 3.848 ( 0.000 4.726 0.008) 4.726 3.851 ( 0.000 3.935 -0.132) 3.937 3.909 ( 0.000 4.238 2.721) 5.037 4.106 ( 0.000 0.839 -7.014) 7.064 4.551 ( 0.000 -0.076 0.148) 0.166 4.560 ( 0.000 -0.564 -0.193) 0.596 4.652 ( 0.000 -0.777 0.928) 1.210 4.668 ( 0.000 -2.211 0.983) 2.420 4.893 ( 0.000 -1.142 1.165) 1.631 4.927 ( 0.000 -1.403 -0.384) 1.455 5.006 ( 0.000 -1.869 0.339) 1.899 5.027 ( 0.000 -2.218 -0.565) 2.289======================= Grid point 76 (29/63) =======================q-point: ( 0.25 0.17 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 96Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.626 ( 5.168 11.178 1.042) 12.359 0.667 ( 9.240 7.672 4.230) 12.733 0.784 ( 1.334 5.228 -1.262) 5.541 0.880 ( -1.732 3.064 -3.689) 5.099 0.964 ( -3.138 3.730 -2.731) 5.588 1.037 ( -5.892 6.783 -0.812) 9.022 1.060 ( -5.522 5.174 0.007) 7.567 1.101 ( 2.672 11.889 3.221) 12.604 1.227 ( -1.406 7.151 2.058) 7.573 1.263 ( 3.499 3.523 4.002) 6.378 1.323 ( 1.878 0.306 -1.088) 2.192 1.365 ( 1.908 8.671 2.734) 9.290 1.398 ( 4.661 4.418 -2.379) 6.849 1.463 ( -1.353 1.676 -2.456) 3.267 1.503 ( 0.142 6.704 0.815) 6.755 1.526 ( -0.467 4.279 -0.693) 4.360 1.570 ( -1.881 5.403 0.522) 5.745 1.583 ( -0.036 7.326 1.460) 7.470 1.597 ( 2.812 5.491 -1.426) 6.332 1.633 ( -1.554 5.507 -1.117) 5.830 1.695 ( -1.470 3.746 -0.861) 4.115 1.721 ( -0.203 0.051 -1.308) 1.324 1.757 ( -5.562 3.487 -0.033) 6.565 1.815 ( -5.732 1.444 -3.848) 7.053 1.896 ( -0.944 4.004 2.123) 4.630 1.956 ( -0.884 -0.141 -0.165) 0.910 1.988 ( -0.912 6.254 0.045) 6.321 2.028 ( -0.653 4.104 -2.151) 4.679 2.069 ( 7.276 -2.730 0.366) 7.780 2.092 ( 4.467 1.132 -0.744) 4.668 2.145 ( 0.663 0.033 1.576) 1.710 2.156 ( 1.424 1.665 0.395) 2.227 2.192 ( 2.319 0.166 2.251) 3.236 2.266 ( -0.678 1.282 -0.136) 1.457 2.292 ( -0.428 0.130 1.897) 1.949 2.378 ( 2.521 0.366 -0.617) 2.621 2.407 ( -5.113 -1.135 -0.997) 5.332 2.459 ( -1.806 -0.102 -0.881) 2.012 2.507 ( -0.217 0.239 2.378) 2.400 2.535 ( -1.235 3.942 1.596) 4.429 2.589 ( -2.761 2.496 -1.094) 3.880 2.602 ( -0.424 2.279 0.163) 2.324 2.669 ( -2.273 -1.897 1.619) 3.375 2.727 ( -2.393 -0.575 -1.333) 2.799 2.773 ( 0.805 4.211 0.995) 4.402 2.785 ( 0.634 4.254 1.198) 4.465 2.808 ( 2.417 3.655 -0.878) 4.469 2.849 ( 2.077 -0.949 1.633) 2.808 2.908 ( -3.747 0.614 -2.310) 4.444 2.957 ( 3.744 -3.951 -2.794) 6.118 2.999 ( -1.820 -1.847 2.050) 3.305 3.042 ( 1.285 -3.040 0.788) 3.393 3.138 ( 4.490 -5.325 0.084) 6.966 3.159 ( -0.127 -2.351 -0.973) 2.547 3.202 ( -0.251 -3.800 1.497) 4.092 3.253 ( 1.365 -5.709 0.140) 5.872 3.402 ( -0.664 -0.447 -0.282) 0.849 3.412 ( -0.414 -1.852 -0.176) 1.906 3.460 ( 0.060 -2.136 -0.488) 2.191 3.480 ( -0.662 -0.030 -0.572) 0.875 3.852 ( 0.609 4.302 0.343) 4.359 3.870 ( 1.839 4.617 -0.418) 4.987 3.897 ( -1.109 4.221 2.123) 4.853 4.034 ( -5.953 2.900 -4.190) 7.836 4.570 ( 1.281 -0.390 -0.019) 1.340 4.577 ( 1.654 -0.857 -0.350) 1.896 4.630 ( -1.668 -0.533 0.923) 1.979 4.651 ( -1.550 -1.598 0.231) 2.238 4.911 ( 1.666 -1.159 1.138) 2.327 4.958 ( 1.372 -2.463 -0.819) 2.936 5.005 ( 0.504 -2.343 0.335) 2.420 5.032 ( 0.306 -2.743 -0.760) 2.863======================= Grid point 77 (30/63) =======================q-point: (-0.50 0.17 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.744 ( -6.204 7.326 2.368) 9.888 0.744 ( 6.204 7.326 2.368) 9.888 0.832 ( -6.007 5.569 3.709) 8.992 0.832 ( 6.007 5.569 3.709) 8.992 0.923 ( -3.905 5.397 -5.039) 8.353 0.923 ( 3.905 5.397 -5.039) 8.353 1.055 ( -4.098 7.248 -3.500) 9.032 1.055 ( 4.098 7.248 -3.500) 9.032 1.304 ( -1.966 6.334 2.563) 7.111 1.304 ( 1.966 6.334 2.563) 7.111 1.379 ( -3.027 4.992 3.771) 6.950 1.379 ( 3.027 4.992 3.771) 6.950 1.420 ( -3.677 0.574 0.422) 3.745 1.420 ( 3.677 0.574 0.422) 3.745 1.501 ( -1.575 5.827 -0.373) 6.048 1.501 ( 1.575 5.827 -0.373) 6.048 1.555 ( -1.458 6.281 0.715) 6.488 1.555 ( 1.458 6.281 0.715) 6.488 1.645 ( -2.386 2.719 -4.568) 5.827 1.645 ( 2.386 2.719 -4.568) 5.827 1.660 ( -3.421 6.487 -0.835) 7.381 1.660 ( 3.421 6.487 -0.835) 7.381 1.754 ( -2.502 3.431 -2.737) 5.052 1.754 ( 2.502 3.431 -2.737) 5.052 1.914 ( -4.040 -0.128 4.487) 6.039 1.914 ( 4.040 -0.128 4.487) 6.039 1.981 ( -0.492 3.307 0.796) 3.437 1.981 ( 0.492 3.307 0.796) 3.437 2.142 ( -1.029 3.928 -0.067) 4.061 2.142 ( 1.029 3.928 -0.067) 4.061 2.213 ( -2.914 -0.303 -1.142) 3.145 2.213 ( 2.914 -0.303 -1.142) 3.145 2.228 ( -1.319 1.387 -2.826) 3.413 2.228 ( 1.319 1.387 -2.826) 3.413 2.311 ( -3.886 -1.437 0.424) 4.165 2.311 ( 3.886 -1.437 0.424) 4.165 2.396 ( -2.247 0.968 1.286) 2.764 2.396 ( 2.247 0.968 1.286) 2.764 2.521 ( -0.935 1.808 1.414) 2.479 2.521 ( 0.935 1.808 1.414) 2.479 2.575 ( -1.794 -1.147 1.081) 2.388 2.575 ( 1.794 -1.147 1.081) 2.388 2.679 ( -2.952 1.013 -0.661) 3.191 2.679 ( 2.952 1.013 -0.661) 3.191 2.789 ( -0.592 4.106 0.789) 4.223 2.789 ( 0.592 4.106 0.789) 4.223 2.846 ( -1.963 2.904 -1.583) 3.846 2.846 ( 1.963 2.904 -1.583) 3.846 2.912 ( -4.052 -0.945 3.044) 5.155 2.912 ( 4.052 -0.945 3.044) 5.155 3.040 ( -3.153 -3.927 -2.591) 5.664 3.040 ( 3.153 -3.927 -2.591) 5.664 3.172 ( -2.056 -3.895 1.790) 4.754 3.172 ( 2.056 -3.895 1.790) 4.754 3.238 ( -3.061 -5.432 -1.180) 6.346 3.238 ( 3.061 -5.432 -1.180) 6.346 3.401 ( -0.550 -1.023 -0.390) 1.225 3.401 ( 0.550 -1.023 -0.390) 1.225 3.465 ( -0.648 -1.040 -0.017) 1.225 3.465 ( 0.648 -1.040 -0.017) 1.225 3.871 ( -1.274 4.411 1.064) 4.712 3.871 ( 1.274 4.411 1.064) 4.712 3.929 ( -4.357 4.387 -1.406) 6.341 3.929 ( 4.357 4.387 -1.406) 6.341 4.594 ( -1.021 -0.572 0.118) 1.176 4.594 ( 1.021 -0.572 0.118) 1.176 4.618 ( -1.535 -1.004 0.043) 1.834 4.618 ( 1.535 -1.004 0.043) 1.834 4.946 ( -1.712 -1.531 0.513) 2.353 4.946 ( 1.712 -1.531 0.513) 2.353 5.028 ( -0.922 -3.477 -0.819) 3.689 5.028 ( 0.922 -3.477 -0.819) 3.689======================= Grid point 80 (31/63) =======================q-point: ( 0.00 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.747 ( 0.000 9.325 1.964) 9.530 0.815 ( 0.000 11.813 -4.192) 12.535 0.852 ( 0.000 4.959 -1.787) 5.272 0.983 ( 0.000 7.680 -5.273) 9.316 1.046 ( 0.000 0.858 4.580) 4.659 1.193 ( 0.000 4.007 4.535) 6.052 1.220 ( 0.000 4.089 4.718) 6.243 1.258 ( 0.000 6.209 0.683) 6.247 1.277 ( 0.000 4.905 -5.064) 7.050 1.347 ( 0.000 4.985 -1.950) 5.353 1.432 ( 0.000 2.531 -3.730) 4.508 1.446 ( 0.000 6.096 0.333) 6.105 1.514 ( 0.000 4.415 3.773) 5.807 1.538 ( 0.000 6.818 0.260) 6.823 1.561 ( 0.000 0.677 -1.315) 1.479 1.617 ( 0.000 5.255 -3.354) 6.234 1.646 ( 0.000 4.347 0.690) 4.401 1.651 ( 0.000 -0.365 3.224) 3.245 1.692 ( 0.000 -0.707 2.557) 2.653 1.712 ( 0.000 2.611 1.247) 2.894 1.740 ( 0.000 4.208 -0.009) 4.208 1.761 ( 0.000 4.213 -1.575) 4.498 1.857 ( 0.000 -3.534 -1.429) 3.812 1.895 ( 0.000 0.601 -4.885) 4.922 1.911 ( 0.000 3.754 -0.533) 3.792 1.998 ( 0.000 3.439 -2.279) 4.125 2.044 ( 0.000 6.106 2.791) 6.713 2.075 ( 0.000 2.948 3.640) 4.684 2.099 ( 0.000 6.487 0.132) 6.488 2.124 ( 0.000 -3.139 2.629) 4.094 2.163 ( 0.000 -2.814 4.669) 5.451 2.187 ( 0.000 2.243 -2.050) 3.038 2.220 ( 0.000 -1.379 3.752) 3.997 2.231 ( 0.000 3.737 -2.106) 4.289 2.271 ( 0.000 8.402 -3.235) 9.004 2.411 ( 0.000 2.914 -0.534) 2.963 2.453 ( 0.000 3.407 -0.298) 3.420 2.471 ( 0.000 0.081 -1.261) 1.264 2.566 ( 0.000 0.390 -1.366) 1.420 2.622 ( 0.000 1.607 3.157) 3.542 2.632 ( 0.000 -2.284 1.092) 2.532 2.650 ( 0.000 2.168 -3.184) 3.852 2.704 ( 0.000 -0.789 -0.819) 1.137 2.707 ( 0.000 -3.274 -1.976) 3.825 2.789 ( 0.000 0.482 0.539) 0.723 2.812 ( 0.000 -0.093 0.700) 0.706 2.845 ( 0.000 1.558 0.277) 1.582 2.852 ( 0.000 2.780 -0.005) 2.780 2.882 ( 0.000 -3.065 1.069) 3.246 2.901 ( 0.000 -3.140 0.961) 3.284 2.913 ( 0.000 2.135 1.064) 2.386 2.966 ( 0.000 -1.601 1.332) 2.082 3.111 ( 0.000 0.000 -0.866) 0.866 3.112 ( 0.000 -3.995 -0.522) 4.029 3.128 ( 0.000 -1.363 0.753) 1.558 3.170 ( 0.000 -1.366 -1.590) 2.096 3.399 ( 0.000 0.924 1.267) 1.568 3.432 ( 0.000 1.526 1.349) 2.037 3.442 ( 0.000 2.915 -0.854) 3.038 3.520 ( 0.000 2.115 -1.899) 2.842 3.897 ( 0.000 0.905 0.172) 0.922 3.906 ( 0.000 1.185 -0.170) 1.198 3.957 ( 0.000 0.720 1.928) 2.058 4.090 ( 0.000 -2.241 -4.182) 4.744 4.548 ( 0.000 -0.649 0.031) 0.650 4.550 ( 0.000 -0.185 -0.054) 0.193 4.629 ( 0.000 -1.951 0.865) 2.134 4.634 ( 0.000 -1.176 0.351) 1.228 4.876 ( 0.000 -0.713 0.678) 0.984 4.902 ( 0.000 -1.206 -0.410) 1.274 4.968 ( 0.000 -2.016 0.273) 2.035 4.983 ( 0.000 -2.248 -0.387) 2.281======================= Grid point 81 (32/63) =======================q-point: ( 0.25 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 96Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.796 ( 3.576 7.314 -0.227) 8.144 0.856 ( 3.966 9.300 2.242) 10.356 0.901 ( 4.493 7.572 -3.643) 9.528 0.961 ( -1.938 5.369 -0.346) 5.719 1.029 ( -0.873 4.142 1.612) 4.530 1.161 ( -2.234 6.109 -1.440) 6.662 1.175 ( -5.346 6.377 -1.772) 8.508 1.261 ( -0.491 4.778 -1.449) 5.017 1.300 ( 4.727 2.560 3.552) 6.443 1.376 ( -1.432 5.148 0.418) 5.360 1.388 ( -3.465 5.125 -0.910) 6.253 1.441 ( 0.093 0.949 1.309) 1.620 1.488 ( -0.330 1.249 -1.947) 2.337 1.493 ( 1.898 5.599 -1.828) 6.188 1.589 ( -3.004 1.150 0.108) 3.218 1.609 ( -0.919 3.136 -0.008) 3.268 1.616 ( -2.198 -1.195 -0.493) 2.550 1.671 ( 2.833 5.786 0.758) 6.487 1.702 ( 0.512 4.597 0.641) 4.670 1.729 ( 2.343 2.509 1.358) 3.692 1.756 ( 2.550 5.895 0.313) 6.430 1.829 ( 2.824 6.243 0.628) 6.881 1.846 ( -5.649 5.264 -0.059) 7.722 1.884 ( -1.565 2.250 -0.441) 2.776 1.925 ( 0.118 -2.078 -1.398) 2.508 1.934 ( -2.211 0.294 -1.890) 2.924 2.047 ( 4.424 0.626 3.048) 5.409 2.070 ( -1.916 3.589 3.424) 5.318 2.088 ( -1.598 2.586 -0.284) 3.053 2.121 ( 1.602 0.847 0.272) 1.832 2.149 ( 2.145 2.455 1.297) 3.508 2.213 ( 3.410 -0.301 3.149) 4.651 2.224 ( -0.209 2.764 1.655) 3.229 2.284 ( 2.080 6.876 -4.471) 8.462 2.356 ( -0.269 -0.652 -0.856) 1.109 2.376 ( 2.102 1.362 -0.294) 2.522 2.410 ( -2.735 3.446 -1.734) 4.729 2.449 ( -3.616 -0.436 -1.627) 3.989 2.536 ( -3.243 1.673 -0.884) 3.755 2.594 ( -0.795 1.853 1.729) 2.656 2.596 ( -4.209 -1.926 0.485) 4.654 2.631 ( -2.806 1.102 -2.328) 3.809 2.657 ( 0.798 -0.104 0.861) 1.178 2.697 ( -0.771 -2.603 -0.708) 2.805 2.814 ( 2.553 1.262 1.363) 3.157 2.839 ( 0.781 0.617 1.234) 1.585 2.853 ( 0.346 1.943 1.031) 2.227 2.882 ( 1.879 1.394 0.101) 2.342 2.897 ( -0.669 -0.489 0.592) 1.019 2.909 ( 2.249 0.473 -1.495) 2.742 2.955 ( 2.585 -1.766 1.327) 3.401 3.019 ( 3.870 -3.188 -0.299) 5.023 3.044 ( -2.991 -0.611 0.485) 3.091 3.108 ( -0.199 -3.143 -1.317) 3.413 3.141 ( -0.186 -1.977 0.614) 2.079 3.180 ( 0.118 -2.261 -1.289) 2.605 3.401 ( 0.170 1.195 1.130) 1.654 3.417 ( -0.832 2.242 0.916) 2.561 3.459 ( 1.059 2.288 -0.533) 2.577 3.508 ( -1.201 2.244 -1.663) 3.040 3.902 ( 0.654 0.971 0.441) 1.251 3.924 ( 1.742 0.972 -0.468) 2.048 3.946 ( -0.986 0.848 1.608) 2.068 4.049 ( -3.711 -1.057 -2.977) 4.873 4.560 ( 1.107 -0.872 0.012) 1.410 4.563 ( 1.129 -0.445 -0.211) 1.232 4.615 ( -1.169 -1.260 0.641) 1.834 4.622 ( -1.149 -1.351 0.260) 1.793 4.891 ( 1.350 -0.954 0.663) 1.781 4.918 ( 1.138 -1.710 -0.480) 2.109 4.962 ( -0.343 -2.061 0.322) 2.114 4.981 ( -0.305 -2.462 -0.461) 2.524======================= Grid point 82 (33/63) =======================q-point: (-0.50 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.862 ( -3.154 5.434 0.738) 6.326 0.862 ( 3.154 5.434 0.738) 6.326 0.969 ( -4.353 7.168 3.963) 9.276 0.969 ( 4.353 7.168 3.963) 9.276 1.041 ( -6.944 7.524 -3.682) 10.881 1.041 ( 6.944 7.524 -3.682) 10.881 1.203 ( -4.359 7.624 -4.639) 9.932 1.203 ( 4.359 7.624 -4.639) 9.932 1.337 ( -1.720 -0.500 0.309) 1.817 1.337 ( 1.720 -0.500 0.309) 1.817 1.419 ( -4.179 2.957 2.213) 5.577 1.419 ( 4.179 2.957 2.213) 5.577 1.512 ( -4.852 3.048 -0.690) 5.771 1.512 ( 4.852 3.048 -0.690) 5.771 1.574 ( -1.198 1.685 0.485) 2.124 1.574 ( 1.198 1.685 0.485) 2.124 1.640 ( -6.069 3.618 -1.116) 7.153 1.640 ( 6.069 3.618 -1.116) 7.153 1.717 ( -2.221 5.311 0.008) 5.756 1.717 ( 2.221 5.311 0.008) 5.756 1.791 ( -3.957 1.464 0.112) 4.220 1.791 ( 3.957 1.464 0.112) 4.220 1.851 ( -1.368 7.941 -0.550) 8.076 1.851 ( 1.368 7.941 -0.550) 8.076 1.928 ( -1.103 1.330 3.594) 3.988 1.928 ( 1.103 1.330 3.594) 3.988 2.049 ( -1.456 3.574 0.898) 3.963 2.049 ( 1.456 3.574 0.898) 3.963 2.154 ( -3.342 0.395 0.338) 3.382 2.154 ( 3.342 0.395 0.338) 3.382 2.201 ( -3.618 -0.036 1.286) 3.839 2.201 ( 3.618 -0.036 1.286) 3.839 2.288 ( -6.911 -1.072 -0.028) 6.993 2.288 ( 6.911 -1.072 -0.028) 6.993 2.303 ( -1.908 3.316 -1.671) 4.175 2.303 ( 1.908 3.316 -1.671) 4.175 2.442 ( -3.460 4.179 -1.626) 5.664 2.442 ( 3.460 4.179 -1.626) 5.664 2.509 ( -4.440 -1.469 -1.214) 4.831 2.509 ( 4.440 -1.469 -1.214) 4.831 2.596 ( -0.879 1.555 0.223) 1.800 2.596 ( 0.879 1.555 0.223) 1.800 2.683 ( -1.156 -1.037 0.450) 1.617 2.683 ( 1.156 -1.037 0.450) 1.617 2.846 ( -0.488 1.555 0.724) 1.784 2.846 ( 0.488 1.555 0.724) 1.784 2.872 ( -1.375 1.116 1.403) 2.259 2.872 ( 1.375 1.116 1.403) 2.259 2.923 ( -2.443 0.615 0.590) 2.587 2.923 ( 2.443 0.615 0.590) 2.587 2.979 ( -1.673 -1.411 -1.192) 2.493 2.979 ( 1.673 -1.411 -1.192) 2.493 3.101 ( -2.119 -3.060 0.090) 3.723 3.101 ( 2.119 -3.060 0.090) 3.723 3.156 ( -2.379 -3.092 -0.839) 3.991 3.156 ( 2.379 -3.092 -0.839) 3.991 3.406 ( -0.342 1.873 1.000) 2.151 3.406 ( 0.342 1.873 1.000) 2.151 3.481 ( -1.340 2.393 -1.058) 2.939 3.481 ( 1.340 2.393 -1.058) 2.939 3.922 ( -1.251 0.900 0.942) 1.806 3.922 ( 1.251 0.900 0.942) 1.806 3.975 ( -3.453 0.470 -1.277) 3.712 3.975 ( 3.453 0.470 -1.277) 3.712 4.580 ( -0.325 -0.942 -0.253) 1.028 4.580 ( 0.325 -0.942 -0.253) 1.028 4.600 ( -0.504 -0.997 0.439) 1.200 4.600 ( 0.504 -0.997 0.439) 1.200 4.918 ( -1.151 -1.406 0.274) 1.838 4.918 ( 1.151 -1.406 0.274) 1.838 4.969 ( -0.855 -2.616 -0.322) 2.771 4.969 ( 0.855 -2.616 -0.322) 2.771======================= Grid point 85 (34/63) =======================q-point: ( 0.00 0.33 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.892 ( 0.000 6.214 -1.230) 6.335 0.993 ( 0.000 9.498 4.226) 10.396 1.004 ( 0.000 7.664 -6.140) 9.821 1.080 ( 0.000 2.328 5.546) 6.014 1.155 ( 0.000 9.307 -2.316) 9.591 1.267 ( 0.000 1.879 4.857) 5.208 1.272 ( 0.000 4.257 4.722) 6.357 1.298 ( 0.000 0.338 -5.411) 5.422 1.412 ( 0.000 -0.165 -1.037) 1.050 1.414 ( 0.000 6.172 -1.401) 6.329 1.480 ( 0.000 1.099 -3.163) 3.349 1.494 ( 0.000 0.269 -3.039) 3.051 1.504 ( 0.000 1.018 -3.410) 3.559 1.572 ( 0.000 -3.191 -4.306) 5.360 1.631 ( 0.000 1.042 2.969) 3.146 1.670 ( 0.000 6.424 2.923) 7.058 1.679 ( 0.000 2.861 1.901) 3.435 1.715 ( 0.000 0.440 1.991) 2.039 1.719 ( 0.000 1.042 3.696) 3.840 1.792 ( 0.000 2.353 -2.837) 3.686 1.802 ( 0.000 3.762 -0.916) 3.872 1.803 ( 0.000 3.754 -3.122) 4.883 1.842 ( 0.000 4.112 -1.226) 4.291 1.901 ( 0.000 0.285 -3.919) 3.930 1.981 ( 0.000 -1.673 4.727) 5.014 1.991 ( 0.000 -2.680 1.116) 2.903 2.072 ( 0.000 -2.041 6.589) 6.898 2.102 ( 0.000 0.296 5.058) 5.067 2.133 ( 0.000 4.180 1.318) 4.383 2.172 ( 0.000 -0.380 0.810) 0.895 2.179 ( 0.000 6.295 2.881) 6.923 2.235 ( 0.000 2.947 2.257) 3.712 2.275 ( 0.000 5.977 -4.009) 7.197 2.322 ( 0.000 3.082 -4.228) 5.232 2.363 ( 0.000 2.348 -3.784) 4.453 2.409 ( 0.000 -2.159 -4.707) 5.179 2.513 ( 0.000 -0.021 0.015) 0.026 2.526 ( 0.000 -2.162 -0.534) 2.227 2.588 ( 0.000 -4.879 1.690) 5.163 2.595 ( 0.000 3.996 1.583) 4.298 2.596 ( 0.000 5.946 -0.244) 5.951 2.624 ( 0.000 -5.906 -0.449) 5.923 2.670 ( 0.000 0.332 -1.285) 1.327 2.685 ( 0.000 1.064 -2.029) 2.291 2.793 ( 0.000 -2.787 1.796) 3.316 2.819 ( 0.000 -0.057 2.554) 2.555 2.820 ( 0.000 -1.600 -0.003) 1.600 2.841 ( 0.000 3.674 0.475) 3.704 2.906 ( 0.000 1.460 -0.053) 1.461 2.906 ( 0.000 0.961 -0.067) 0.963 2.965 ( 0.000 1.012 0.897) 1.353 2.980 ( 0.000 3.373 0.767) 3.459 3.037 ( 0.000 -2.633 -0.559) 2.692 3.115 ( 0.000 -0.300 -1.971) 1.993 3.133 ( 0.000 0.877 0.505) 1.012 3.151 ( 0.000 -0.513 -0.890) 1.027 3.460 ( 0.000 5.317 1.318) 5.478 3.505 ( 0.000 5.508 1.650) 5.750 3.517 ( 0.000 4.710 -1.111) 4.839 3.571 ( 0.000 3.308 -1.154) 3.503 3.887 ( 0.000 -1.856 0.218) 1.869 3.898 ( 0.000 -1.786 -0.239) 1.802 3.940 ( 0.000 -2.330 1.296) 2.666 4.026 ( 0.000 -4.426 -2.494) 5.080 4.534 ( 0.000 -0.850 0.136) 0.861 4.541 ( 0.000 -0.781 -0.165) 0.799 4.590 ( 0.000 -2.146 0.671) 2.249 4.603 ( 0.000 -1.985 -0.020) 1.985 4.867 ( 0.000 -0.225 0.380) 0.442 4.883 ( 0.000 -0.711 -0.305) 0.774 4.931 ( 0.000 -1.782 0.215) 1.795 4.942 ( 0.000 -2.000 -0.264) 2.018======================= Grid point 86 (35/63) =======================q-point: ( 0.25 0.33 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 96Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.923 ( 2.651 5.994 -0.691) 6.590 0.995 ( -0.050 7.050 1.310) 7.171 1.053 ( 1.155 4.444 -0.822) 4.664 1.071 ( 2.359 7.564 0.220) 7.927 1.140 ( -0.644 6.297 3.776) 7.371 1.259 ( -1.903 3.424 -4.764) 6.168 1.284 ( 1.673 4.506 -0.903) 4.890 1.317 ( -4.083 1.523 0.086) 4.359 1.349 ( 4.058 3.374 -0.356) 5.289 1.423 ( -2.305 0.510 1.215) 2.655 1.455 ( -2.766 1.246 -1.857) 3.557 1.490 ( 3.157 2.197 3.036) 4.900 1.516 ( -2.432 3.821 -1.241) 4.696 1.561 ( -3.402 -1.286 0.183) 3.641 1.600 ( 2.263 3.186 -2.106) 4.439 1.645 ( 1.538 2.482 -2.963) 4.160 1.656 ( -3.596 4.129 -0.037) 5.475 1.728 ( -0.150 0.575 -2.483) 2.553 1.772 ( 0.824 2.192 0.654) 2.431 1.796 ( 0.190 3.868 0.819) 3.959 1.820 ( 1.304 0.154 1.940) 2.342 1.849 ( 4.605 -2.607 -1.201) 5.426 1.889 ( 2.546 2.051 -0.434) 3.298 1.909 ( -2.286 0.636 0.101) 2.375 1.936 ( -4.088 2.999 0.861) 5.142 1.975 ( 1.951 3.439 -1.331) 4.172 2.018 ( -0.033 -3.720 6.216) 7.244 2.087 ( -0.948 -0.538 4.552) 4.681 2.108 ( -0.166 -0.125 4.832) 4.836 2.203 ( 2.299 7.688 1.388) 8.144 2.233 ( -1.003 1.474 -0.846) 1.973 2.263 ( 1.589 1.957 -0.938) 2.690 2.301 ( 2.287 2.574 -1.546) 3.774 2.336 ( -1.254 3.987 -1.077) 4.316 2.351 ( 3.339 1.692 -1.295) 3.961 2.378 ( -2.716 -1.663 -3.959) 5.081 2.465 ( -4.672 2.966 0.403) 5.549 2.514 ( -3.180 1.339 -2.501) 4.261 2.523 ( -2.266 -4.378 1.036) 5.037 2.567 ( -1.649 2.272 -0.175) 2.812 2.597 ( 0.674 -2.961 -0.929) 3.176 2.630 ( 0.443 -0.341 -0.086) 0.565 2.638 ( -2.029 -0.359 0.295) 2.082 2.673 ( -1.107 1.640 -1.933) 2.766 2.830 ( 1.653 -0.682 3.067) 3.551 2.847 ( 2.423 -0.888 1.259) 2.872 2.863 ( 2.018 2.677 0.563) 3.399 2.883 ( 3.498 -0.261 0.199) 3.513 2.903 ( -0.037 0.687 0.552) 0.882 2.940 ( 2.214 0.846 -0.956) 2.555 2.969 ( -0.878 2.673 0.770) 2.917 2.979 ( 2.708 0.016 0.971) 2.877 3.051 ( 0.372 -0.924 -1.302) 1.640 3.069 ( -2.406 -0.043 -1.138) 2.662 3.125 ( -1.555 -0.070 0.245) 1.575 3.149 ( -0.782 -1.180 -1.101) 1.794 3.466 ( 0.566 5.421 1.324) 5.609 3.495 ( -0.751 5.641 1.356) 5.850 3.528 ( 0.837 4.534 -0.900) 4.697 3.564 ( -0.736 3.610 -1.150) 3.860 3.893 ( 0.598 -1.883 0.386) 2.013 3.912 ( 1.280 -2.022 -0.463) 2.438 3.932 ( -0.719 -2.240 1.115) 2.604 4.001 ( -2.278 -3.778 -1.950) 4.824 4.541 ( 0.740 -1.044 0.168) 1.291 4.550 ( 0.785 -0.977 -0.279) 1.284 4.582 ( -0.687 -1.947 0.581) 2.145 4.594 ( -0.892 -1.779 -0.014) 1.990 4.876 ( 0.913 -0.491 0.364) 1.098 4.892 ( 0.732 -0.989 -0.291) 1.265 4.926 ( -0.401 -1.699 0.222) 1.760 4.938 ( -0.436 -1.992 -0.284) 2.059======================= Grid point 87 (36/63) =======================q-point: (-0.50 0.33 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.971 ( -2.056 5.803 0.043) 6.156 0.971 ( 2.056 5.803 0.043) 6.156 1.078 ( -1.995 4.843 1.189) 5.371 1.078 ( 1.995 4.843 1.189) 5.371 1.187 ( -4.522 5.721 -0.432) 7.305 1.187 ( 4.522 5.721 -0.432) 7.305 1.315 ( -4.119 4.222 -1.499) 6.085 1.315 ( 4.119 4.222 -1.499) 6.085 1.366 ( -4.460 2.598 -0.039) 5.161 1.366 ( 4.460 2.598 -0.039) 5.161 1.472 ( -3.352 2.684 -3.031) 5.256 1.472 ( 3.352 2.684 -3.031) 5.256 1.526 ( -4.032 0.420 1.154) 4.215 1.526 ( 4.032 0.420 1.154) 4.215 1.623 ( -5.179 3.251 1.007) 6.197 1.623 ( 5.179 3.251 1.007) 6.197 1.703 ( -5.388 3.084 0.230) 6.212 1.703 ( 5.388 3.084 0.230) 6.212 1.754 ( -2.465 -1.071 -0.821) 2.810 1.754 ( 2.465 -1.071 -0.821) 2.810 1.837 ( -2.644 3.903 0.118) 4.716 1.837 ( 2.644 3.903 0.118) 4.716 1.908 ( -0.994 -2.400 -1.274) 2.893 1.908 ( 0.994 -2.400 -1.274) 2.893 1.977 ( -2.837 5.057 1.602) 6.015 1.977 ( 2.837 5.057 1.602) 6.015 2.079 ( -1.369 -1.262 2.868) 3.419 2.079 ( 1.369 -1.262 2.868) 3.419 2.120 ( -5.853 -3.535 2.818) 7.396 2.120 ( 5.853 -3.535 2.818) 7.396 2.287 ( -5.411 3.538 -2.079) 6.791 2.287 ( 5.411 3.538 -2.079) 6.791 2.315 ( -0.532 5.226 0.256) 5.259 2.315 ( 0.532 5.226 0.256) 5.259 2.347 ( -4.327 3.789 0.491) 5.773 2.347 ( 4.327 3.789 0.491) 5.773 2.460 ( -3.367 -2.363 -1.900) 4.531 2.460 ( 3.367 -2.363 -1.900) 4.531 2.521 ( -2.196 1.155 -1.524) 2.912 2.521 ( 2.196 1.155 -1.524) 2.912 2.612 ( -0.729 -1.736 -0.420) 1.929 2.612 ( 0.729 -1.736 -0.420) 1.929 2.648 ( -1.222 0.491 -0.353) 1.363 2.648 ( 1.222 0.491 -0.353) 1.363 2.859 ( -1.099 -0.446 1.973) 2.302 2.859 ( 1.099 -0.446 1.973) 2.302 2.897 ( -0.781 1.790 1.098) 2.240 2.897 ( 0.781 1.790 1.098) 2.240 2.934 ( -2.319 1.345 0.549) 2.736 2.934 ( 2.319 1.345 0.549) 2.736 2.987 ( -3.348 1.137 -1.212) 3.738 2.987 ( 3.348 1.137 -1.212) 3.738 3.062 ( -3.638 -1.051 -0.358) 3.803 3.062 ( 3.638 -1.051 -0.358) 3.803 3.114 ( -2.313 -1.447 -0.685) 2.813 3.114 ( 2.313 -1.447 -0.685) 2.813 3.479 ( -0.816 5.627 1.362) 5.846 3.479 ( 0.816 5.627 1.362) 5.846 3.546 ( -1.014 4.169 -1.079) 4.424 3.546 ( 1.014 4.169 -1.079) 4.424 3.909 ( -1.047 -2.049 0.653) 2.392 3.909 ( 1.047 -2.049 0.653) 2.392 3.953 ( -2.436 -2.689 -0.963) 3.754 3.953 ( 2.436 -2.689 -0.963) 3.754 4.557 ( -0.628 -1.355 -0.053) 1.494 4.557 ( 0.628 -1.355 -0.053) 1.494 4.576 ( -0.648 -1.512 0.211) 1.658 4.576 ( 0.648 -1.512 0.211) 1.658 4.894 ( -0.700 -0.957 0.150) 1.196 4.894 ( 0.700 -0.957 0.150) 1.196 4.927 ( -0.591 -1.839 -0.158) 1.938 4.927 ( 0.591 -1.839 -0.158) 1.938======================= Grid point 90 (37/63) =======================q-point: ( 0.00 0.42 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.017 ( 0.000 6.931 0.385) 6.941 1.101 ( 0.000 2.392 -4.209) 4.841 1.116 ( 0.000 1.222 4.762) 4.916 1.181 ( 0.000 9.351 3.458) 9.970 1.248 ( 0.000 -1.318 1.150) 1.749 1.304 ( 0.000 0.911 -1.710) 1.938 1.340 ( 0.000 -1.058 -0.242) 1.085 1.345 ( 0.000 5.735 0.931) 5.811 1.391 ( 0.000 4.748 1.728) 5.052 1.428 ( 0.000 -2.183 -3.391) 4.033 1.488 ( 0.000 0.769 -1.485) 1.672 1.510 ( 0.000 -0.394 -2.333) 2.366 1.556 ( 0.000 2.284 -2.462) 3.359 1.579 ( 0.000 2.315 -1.412) 2.712 1.613 ( 0.000 -2.884 2.322) 3.703 1.648 ( 0.000 -1.520 -0.458) 1.587 1.706 ( 0.000 0.240 -2.753) 2.763 1.724 ( 0.000 -5.071 -0.731) 5.124 1.804 ( 0.000 3.961 0.570) 4.001 1.807 ( 0.000 2.942 3.527) 4.594 1.840 ( 0.000 -0.516 0.312) 0.603 1.881 ( 0.000 5.223 2.244) 5.685 1.929 ( 0.000 -0.116 0.655) 0.665 1.954 ( 0.000 2.739 -2.092) 3.446 1.975 ( 0.000 2.667 1.773) 3.202 1.986 ( 0.000 7.234 -0.786) 7.277 2.068 ( 0.000 0.717 1.679) 1.826 2.093 ( 0.000 1.015 4.019) 4.145 2.166 ( 0.000 -0.904 1.280) 1.567 2.171 ( 0.000 1.615 0.180) 1.625 2.243 ( 0.000 -3.835 -4.002) 5.543 2.269 ( 0.000 1.256 0.420) 1.325 2.287 ( 0.000 -5.109 -5.817) 7.742 2.352 ( 0.000 -2.958 -3.590) 4.652 2.373 ( 0.000 7.331 2.572) 7.770 2.427 ( 0.000 -4.951 1.593) 5.202 2.432 ( 0.000 -3.621 -0.123) 3.623 2.460 ( 0.000 -5.456 0.633) 5.492 2.499 ( 0.000 -3.756 2.021) 4.266 2.560 ( 0.000 6.754 0.067) 6.754 2.692 ( 0.000 -0.415 -0.897) 0.989 2.698 ( 0.000 1.875 0.118) 1.879 2.715 ( 0.000 2.246 -0.054) 2.247 2.734 ( 0.000 6.709 -0.179) 6.711 2.763 ( 0.000 0.833 1.903) 2.078 2.816 ( 0.000 0.750 -0.593) 0.956 2.831 ( 0.000 2.376 1.028) 2.589 2.884 ( 0.000 -0.223 -0.466) 0.516 2.908 ( 0.000 -0.586 0.333) 0.674 2.918 ( 0.000 0.016 -0.065) 0.067 2.977 ( 0.000 -0.212 -0.106) 0.237 2.989 ( 0.000 -1.659 -0.782) 1.834 3.047 ( 0.000 2.336 0.749) 2.453 3.092 ( 0.000 -1.356 -1.424) 1.967 3.152 ( 0.000 0.924 0.231) 0.953 3.156 ( 0.000 0.637 0.018) 0.637 3.589 ( 0.000 7.464 0.318) 7.470 3.617 ( 0.000 5.557 -0.842) 5.621 3.625 ( 0.000 6.615 0.876) 6.672 3.647 ( 0.000 4.436 -0.069) 4.437 3.829 ( 0.000 -4.135 0.254) 4.143 3.841 ( 0.000 -4.107 -0.266) 4.116 3.876 ( 0.000 -4.038 0.735) 4.104 3.924 ( 0.000 -5.963 -1.359) 6.116 4.518 ( 0.000 -0.625 0.076) 0.629 4.524 ( 0.000 -0.854 -0.131) 0.864 4.552 ( 0.000 -1.507 0.415) 1.563 4.564 ( 0.000 -1.909 -0.100) 1.912 4.868 ( 0.000 0.388 0.165) 0.422 4.876 ( 0.000 -0.038 -0.154) 0.159 4.901 ( 0.000 -1.308 0.126) 1.314 4.907 ( 0.000 -1.599 -0.146) 1.606======================= Grid point 91 (38/63) =======================q-point: ( 0.25 0.42 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 96Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.036 ( 1.712 5.888 0.974) 6.209 1.126 ( 2.286 3.892 0.342) 4.527 1.131 ( -3.179 5.715 2.051) 6.854 1.151 ( 2.748 0.836 -0.828) 2.990 1.250 ( -3.205 4.779 1.400) 5.922 1.282 ( 0.658 -2.201 2.390) 3.315 1.304 ( -1.316 -1.042 -0.748) 1.838 1.377 ( 3.590 4.254 -1.010) 5.657 1.392 ( -1.326 1.755 -2.627) 3.426 1.456 ( -4.755 1.049 -2.013) 5.268 1.474 ( 3.374 4.735 -0.424) 5.830 1.526 ( 0.887 -1.261 -0.706) 1.696 1.540 ( 1.946 0.469 -1.941) 2.789 1.600 ( -0.509 0.567 1.264) 1.476 1.628 ( 3.602 2.667 -0.010) 4.482 1.669 ( -2.967 -1.129 -2.640) 4.129 1.690 ( -1.256 1.706 1.686) 2.708 1.744 ( 6.405 -3.456 0.527) 7.298 1.773 ( 1.603 -1.028 -2.067) 2.810 1.810 ( -4.455 2.722 -2.040) 5.605 1.831 ( -3.798 -0.260 2.472) 4.539 1.861 ( -1.173 -0.239 -0.032) 1.197 1.917 ( 2.661 5.064 2.443) 6.220 1.960 ( -3.212 0.769 4.441) 5.534 1.974 ( 3.714 5.474 1.478) 6.778 2.039 ( -2.935 3.768 -0.903) 4.861 2.058 ( 1.760 3.256 0.238) 3.709 2.079 ( -0.479 2.093 0.855) 2.311 2.118 ( 0.865 1.817 2.634) 3.315 2.165 ( -6.596 -4.853 -2.548) 8.576 2.218 ( 0.998 -3.568 -2.267) 4.343 2.268 ( -1.761 -5.287 -5.171) 7.603 2.313 ( 2.898 -1.383 -0.400) 3.236 2.359 ( 0.741 -1.891 -1.870) 2.761 2.398 ( 2.138 4.610 2.225) 5.547 2.418 ( 0.485 -3.665 2.091) 4.248 2.439 ( 0.768 -2.421 0.701) 2.635 2.469 ( 0.822 -3.871 -0.474) 3.985 2.507 ( 0.526 -0.562 0.833) 1.134 2.528 ( -2.905 5.182 0.312) 5.949 2.632 ( -4.283 0.564 0.960) 4.425 2.657 ( -4.302 5.693 0.694) 7.170 2.701 ( -0.170 1.864 -1.162) 2.203 2.719 ( 0.121 3.851 -2.929) 4.839 2.805 ( 1.720 -0.518 3.387) 3.834 2.842 ( 0.541 -0.793 1.296) 1.613 2.884 ( 3.550 0.303 -0.810) 3.654 2.901 ( 1.976 -0.079 -0.401) 2.017 2.917 ( 1.865 1.162 0.594) 2.276 2.947 ( 2.455 0.378 -0.562) 2.546 2.987 ( 1.652 0.258 0.201) 1.684 3.013 ( 0.798 0.252 -0.781) 1.144 3.038 ( 0.222 0.821 0.353) 0.921 3.066 ( -2.428 -0.363 -1.050) 2.670 3.129 ( -2.418 0.453 0.270) 2.475 3.139 ( -1.782 0.051 -0.196) 1.793 3.595 ( 0.563 7.421 0.411) 7.454 3.618 ( -0.257 6.589 0.279) 6.600 3.627 ( 0.364 5.709 -0.221) 5.725 3.645 ( -0.260 4.678 -0.200) 4.690 3.834 ( 0.511 -4.140 0.316) 4.183 3.850 ( 0.885 -4.367 -0.404) 4.474 3.867 ( -0.745 -4.142 0.657) 4.259 3.909 ( -1.456 -5.671 -1.138) 5.964 4.523 ( 0.452 -0.709 0.127) 0.850 4.530 ( 0.528 -0.983 -0.189) 1.132 4.548 ( -0.426 -1.410 0.380) 1.521 4.558 ( -0.555 -1.745 -0.091) 1.834 4.873 ( 0.462 0.146 0.158) 0.510 4.880 ( 0.380 -0.255 -0.142) 0.479 4.898 ( -0.225 -1.161 0.119) 1.188 4.905 ( -0.271 -1.465 -0.149) 1.498======================= Grid point 92 (39/63) =======================q-point: (-0.50 0.42 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.074 ( -2.312 4.847 1.601) 5.603 1.074 ( 2.312 4.847 1.601) 5.603 1.179 ( -2.153 5.669 -0.554) 6.089 1.179 ( 2.153 5.669 -0.554) 6.089 1.229 ( -3.023 -1.047 1.776) 3.659 1.229 ( 3.023 -1.047 1.776) 3.659 1.350 ( -3.219 -0.648 -2.315) 4.018 1.350 ( 3.219 -0.648 -2.315) 4.018 1.415 ( -1.095 2.072 -0.915) 2.516 1.415 ( 1.095 2.072 -0.915) 2.516 1.520 ( -1.908 2.267 -1.358) 3.259 1.520 ( 1.908 2.267 -1.358) 3.259 1.566 ( -2.225 2.391 1.344) 3.531 1.566 ( 2.225 2.391 1.344) 3.531 1.665 ( -4.949 1.683 -2.112) 5.638 1.665 ( 4.949 1.683 -2.112) 5.638 1.740 ( -3.768 -0.148 0.403) 3.792 1.740 ( 3.768 -0.148 0.403) 3.792 1.772 ( -6.854 4.412 2.549) 8.540 1.772 ( 6.854 4.412 2.549) 8.540 1.833 ( -1.664 -3.232 -1.419) 3.902 1.833 ( 1.664 -3.232 -1.419) 3.902 1.942 ( -6.548 2.050 -0.704) 6.897 1.942 ( 6.548 2.050 -0.704) 6.897 1.994 ( -2.706 -1.398 3.950) 4.988 1.994 ( 2.706 -1.398 3.950) 4.988 2.063 ( -2.810 2.041 1.072) 3.635 2.063 ( 2.810 2.041 1.072) 3.635 2.122 ( -1.495 3.443 -0.237) 3.762 2.122 ( 1.495 3.443 -0.237) 3.762 2.235 ( -1.297 -4.761 -4.078) 6.402 2.235 ( 1.297 -4.761 -4.078) 6.402 2.350 ( -1.273 -4.461 -0.858) 4.718 2.350 ( 1.273 -4.461 -0.858) 4.718 2.441 ( -0.493 0.814 0.104) 0.957 2.441 ( 0.493 0.814 0.104) 0.957 2.470 ( -1.977 1.489 0.997) 2.668 2.470 ( 1.977 1.489 0.997) 2.668 2.495 ( -3.474 -0.050 0.648) 3.535 2.495 ( 3.474 -0.050 0.648) 3.535 2.589 ( -1.910 3.139 2.032) 4.199 2.589 ( 1.910 3.139 2.032) 4.199 2.710 ( -0.832 3.550 -3.382) 4.973 2.710 ( 0.832 3.550 -3.382) 4.973 2.832 ( -1.113 -1.690 3.181) 3.770 2.832 ( 1.113 -1.690 3.181) 3.770 2.919 ( -0.636 -0.693 -0.819) 1.247 2.919 ( 0.636 -0.693 -0.819) 1.247 2.974 ( -3.172 2.407 0.452) 4.007 2.974 ( 3.172 2.407 0.452) 4.007 3.004 ( -3.012 0.740 -0.900) 3.230 3.004 ( 3.012 0.740 -0.900) 3.230 3.056 ( -3.293 0.381 -0.016) 3.315 3.056 ( 3.293 0.381 -0.016) 3.315 3.093 ( -2.240 -0.885 -0.185) 2.415 3.093 ( 2.240 -0.885 -0.185) 2.415 3.607 ( -0.689 7.227 0.587) 7.284 3.607 ( 0.689 7.227 0.587) 7.284 3.637 ( -0.555 5.137 -0.459) 5.187 3.637 ( 0.555 5.137 -0.459) 5.187 3.848 ( -0.923 -4.146 0.410) 4.267 3.848 ( 0.923 -4.146 0.410) 4.267 3.877 ( -1.619 -5.055 -0.661) 5.349 3.877 ( 1.619 -5.055 -0.661) 5.349 4.533 ( -0.497 -0.938 0.075) 1.064 4.533 ( 0.497 -0.938 0.075) 1.064 4.546 ( -0.565 -1.463 0.024) 1.568 4.546 ( 0.565 -1.463 0.024) 1.568 4.882 ( -0.334 -0.312 0.068) 0.462 4.882 ( 0.334 -0.312 0.068) 0.462 4.898 ( -0.313 -1.142 -0.078) 1.186 4.898 ( 0.313 -1.142 -0.078) 1.186======================= Grid point 95 (40/63) =======================q-point: ( 0.00 -0.50 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 42Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.114 ( 0.000 -0.807 0.178) 0.826 1.114 ( 0.000 0.807 0.178) 0.826 1.167 ( 0.000 -6.103 1.398) 6.261 1.167 ( 0.000 6.103 1.398) 6.261 1.290 ( 0.000 -1.090 -1.023) 1.495 1.290 ( 0.000 1.090 -1.023) 1.495 1.358 ( 0.000 -3.738 -0.955) 3.859 1.358 ( 0.000 3.738 -0.955) 3.859 1.482 ( 0.000 -0.389 1.447) 1.498 1.482 ( 0.000 0.389 1.447) 1.498 1.504 ( 0.000 -2.651 -0.507) 2.700 1.504 ( 0.000 2.651 -0.507) 2.700 1.533 ( 0.000 -1.843 3.615) 4.057 1.533 ( 0.000 1.843 3.615) 4.057 1.609 ( 0.000 -4.412 -1.166) 4.563 1.609 ( 0.000 4.412 -1.166) 4.563 1.698 ( 0.000 -2.306 -4.830) 5.352 1.698 ( 0.000 2.306 -4.830) 5.352 1.818 ( 0.000 -0.288 0.311) 0.424 1.818 ( 0.000 0.288 0.311) 0.424 1.887 ( 0.000 -2.956 3.000) 4.212 1.887 ( 0.000 2.956 3.000) 4.212 1.994 ( 0.000 -3.686 -0.590) 3.733 1.994 ( 0.000 3.686 -0.590) 3.733 2.023 ( 0.000 -1.671 0.684) 1.806 2.023 ( 0.000 1.671 0.684) 1.806 2.107 ( 0.000 -4.488 0.841) 4.566 2.107 ( 0.000 4.488 0.841) 4.566 2.187 ( 0.000 -4.329 -1.740) 4.666 2.187 ( 0.000 4.329 -1.740) 4.666 2.202 ( 0.000 -2.460 -1.843) 3.074 2.202 ( 0.000 2.460 -1.843) 3.074 2.289 ( 0.000 -2.074 -2.745) 3.440 2.289 ( 0.000 2.074 -2.745) 3.440 2.366 ( 0.000 -1.386 0.878) 1.641 2.366 ( 0.000 1.386 0.878) 1.641 2.391 ( 0.000 -0.058 1.015) 1.016 2.391 ( 0.000 0.058 1.015) 1.016 2.591 ( 0.000 -6.500 4.172) 7.724 2.591 ( 0.000 6.500 4.172) 7.724 2.672 ( 0.000 -1.220 1.053) 1.611 2.672 ( 0.000 1.220 1.053) 1.611 2.801 ( 0.000 -4.561 -2.643) 5.272 2.801 ( 0.000 4.561 -2.643) 5.272 2.808 ( 0.000 -0.743 -0.391) 0.840 2.808 ( 0.000 0.743 -0.391) 0.840 2.853 ( 0.000 -0.506 0.281) 0.579 2.853 ( 0.000 0.506 0.281) 0.579 2.911 ( 0.000 -0.935 0.115) 0.942 2.911 ( 0.000 0.935 0.115) 0.942 2.965 ( 0.000 -0.073 -0.497) 0.502 2.965 ( 0.000 0.073 -0.497) 0.502 3.076 ( 0.000 -0.742 0.288) 0.796 3.076 ( 0.000 0.742 0.288) 0.796 3.163 ( 0.000 -0.077 0.073) 0.106 3.163 ( 0.000 0.077 0.073) 0.106 3.698 ( 0.000 -0.576 -0.245) 0.626 3.698 ( 0.000 0.576 -0.245) 0.626 3.733 ( 0.000 -3.371 0.171) 3.376 3.733 ( 0.000 3.371 0.171) 3.376 3.746 ( 0.000 -3.903 0.012) 3.903 3.746 ( 0.000 3.903 0.012) 3.903 3.827 ( 0.000 -1.713 -0.150) 1.720 3.827 ( 0.000 1.713 -0.150) 1.720 4.513 ( 0.000 -0.144 -0.024) 0.146 4.513 ( 0.000 0.144 -0.024) 0.146 4.540 ( 0.000 -0.344 0.092) 0.356 4.540 ( 0.000 0.344 0.092) 0.356 4.882 ( 0.000 -0.071 -0.007) 0.071 4.882 ( 0.000 0.071 -0.007) 0.071 4.882 ( 0.000 -0.436 -0.001) 0.436 4.882 ( 0.000 0.436 -0.001) 0.436======================= Grid point 97 (41/63) =======================q-point: ( 0.25 -0.50 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 56Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.129 ( 1.180 -2.747 0.654) 3.060 1.129 ( 1.180 2.747 0.654) 3.060 1.201 ( 3.667 -4.699 0.542) 5.985 1.201 ( 3.667 4.699 0.542) 5.985 1.224 ( -3.826 -3.152 2.032) 5.358 1.224 ( -3.826 3.152 2.032) 5.358 1.385 ( -3.446 -5.170 -0.828) 6.268 1.385 ( -3.446 5.170 -0.828) 6.268 1.435 ( 0.928 -1.026 -1.445) 2.001 1.435 ( 0.928 1.026 -1.445) 2.001 1.533 ( 0.290 -1.513 -2.588) 3.012 1.533 ( 0.290 1.513 -2.588) 3.012 1.576 ( 2.938 -4.500 -1.189) 5.504 1.576 ( 2.938 4.500 -1.189) 5.504 1.626 ( 1.848 -4.636 0.729) 5.044 1.626 ( 1.848 4.636 0.729) 5.044 1.715 ( 4.817 -2.760 1.131) 5.665 1.715 ( 4.817 2.760 1.131) 5.666 1.796 ( -5.173 -2.956 4.258) 7.323 1.796 ( -5.173 2.956 4.258) 7.323 1.845 ( -0.913 -1.171 -1.199) 1.909 1.845 ( -0.913 1.171 -1.199) 1.909 2.001 ( -1.801 -4.133 0.030) 4.509 2.001 ( -1.801 4.133 0.030) 4.509 2.050 ( -0.736 -2.817 0.099) 2.914 2.050 ( -0.736 2.817 0.099) 2.914 2.097 ( 0.877 -3.076 0.715) 3.278 2.097 ( 0.877 3.076 0.715) 3.278 2.137 ( -2.095 -2.524 -2.502) 4.126 2.137 ( -2.095 2.524 -2.502) 4.126 2.193 ( -1.283 -2.872 -2.490) 4.012 2.193 ( -1.283 2.872 -2.490) 4.012 2.299 ( 1.793 -2.077 -0.771) 2.849 2.299 ( 1.793 2.077 -0.771) 2.849 2.361 ( -0.404 -2.032 0.952) 2.280 2.361 ( -0.404 2.032 0.952) 2.280 2.432 ( 3.041 -1.046 0.403) 3.241 2.432 ( 3.041 1.046 0.403) 3.241 2.581 ( -2.392 -2.344 1.267) 3.581 2.581 ( -2.392 2.344 1.267) 3.581 2.653 ( 0.064 -3.759 2.919) 4.760 2.653 ( 0.064 3.759 2.919) 4.760 2.759 ( -3.199 -3.148 -0.712) 4.544 2.759 ( -3.199 3.148 -0.712) 4.544 2.844 ( 1.699 -3.791 -0.861) 4.243 2.844 ( 1.699 3.791 -0.861) 4.243 2.854 ( 0.790 -2.823 -0.734) 3.022 2.854 ( 0.790 2.823 -0.734) 3.022 2.952 ( 2.949 -1.147 0.195) 3.170 2.952 ( 2.949 1.147 0.195) 3.170 2.993 ( 2.870 -1.106 -0.586) 3.131 2.993 ( 2.870 1.106 -0.586) 3.131 3.060 ( -1.531 -0.632 0.436) 1.713 3.060 ( -1.531 0.633 0.436) 1.713 3.138 ( -2.528 -0.283 0.018) 2.544 3.138 ( -2.528 0.283 0.018) 2.544 3.705 ( 0.645 -0.522 -0.138) 0.841 3.705 ( 0.645 0.522 -0.138) 0.841 3.730 ( -0.394 -1.411 0.089) 1.468 3.730 ( -0.394 1.411 0.089) 1.468 3.755 ( 0.976 -2.148 -0.007) 2.359 3.755 ( 0.976 2.148 -0.007) 2.359 3.813 ( -1.343 -1.565 -0.150) 2.068 3.813 ( -1.343 1.565 -0.150) 2.068 4.517 ( 0.403 -0.204 -0.007) 0.452 4.517 ( 0.403 0.204 -0.007) 0.452 4.536 ( -0.380 -0.317 0.075) 0.500 4.536 ( -0.380 0.317 0.075) 0.500 4.882 ( 0.056 -0.232 -0.006) 0.238 4.882 ( 0.056 0.232 -0.006) 0.238 4.882 ( 0.051 -0.572 -0.004) 0.574 4.882 ( 0.051 0.572 -0.004) 0.574======================= Grid point 99 (42/63) =======================q-point: (-0.50 -0.50 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 42Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.162 ( -2.067 -4.303 2.079) 5.207 1.162 ( 1.385 -4.234 2.079) 4.916 1.162 ( -1.385 4.234 2.079) 4.916 1.162 ( 2.067 4.303 2.079) 5.207 1.293 ( -5.123 -4.920 -0.218) 7.106 1.293 ( 4.170 -4.689 -0.218) 6.279 1.293 ( -4.170 4.689 -0.218) 6.279 1.293 ( 5.123 4.920 -0.218) 7.106 1.475 ( -2.574 -4.098 -4.045) 6.307 1.475 ( 1.381 -3.952 -4.045) 5.821 1.475 ( -1.381 3.952 -4.045) 5.821 1.475 ( 2.574 4.098 -4.045) 6.307 1.657 ( -2.572 -4.000 2.775) 5.506 1.657 ( -0.051 -3.788 2.775) 4.696 1.657 ( 0.051 3.788 2.775) 4.696 1.657 ( 2.572 4.000 2.775) 5.506 1.764 ( -6.238 -3.402 -1.636) 7.292 1.764 ( 1.028 -1.453 -1.636) 2.417 1.764 ( -1.028 1.453 -1.636) 2.417 1.764 ( 6.238 3.402 -1.636) 7.292 1.865 ( -7.952 -4.791 2.914) 9.730 1.865 ( 0.395 -2.681 2.914) 3.979 1.865 ( -0.395 2.681 2.914) 3.979 1.865 ( 7.952 4.791 2.914) 9.730 2.082 ( -1.912 -4.407 0.695) 4.854 2.082 ( 1.451 -4.363 0.695) 4.650 2.082 ( -1.451 4.363 0.695) 4.650 2.082 ( 1.912 4.407 0.695) 4.854 2.156 ( -0.750 -3.978 -3.955) 5.660 2.156 ( -0.455 -3.966 -3.955) 5.620 2.156 ( 0.455 3.966 -3.955) 5.620 2.156 ( 0.750 3.978 -3.955) 5.660 2.341 ( -1.294 -5.168 0.468) 5.348 2.341 ( 0.911 -5.148 0.468) 5.249 2.341 ( -0.911 5.148 0.468) 5.249 2.341 ( 1.294 5.168 0.468) 5.348 2.503 ( -4.479 -0.990 0.836) 4.663 2.503 ( -4.444 0.950 0.836) 4.620 2.503 ( 4.444 -0.950 0.836) 4.620 2.503 ( 4.479 0.990 0.836) 4.663 2.693 ( -3.280 -5.145 1.248) 6.228 2.693 ( 3.273 -5.143 1.248) 6.223 2.693 ( -3.273 5.143 1.248) 6.223 2.693 ( 3.280 5.145 1.248) 6.228 2.862 ( -0.264 -4.192 -0.999) 4.317 2.862 ( 0.264 -4.192 -0.999) 4.317 2.862 ( -0.264 4.192 -0.999) 4.317 2.862 ( 0.264 4.192 -0.999) 4.317 3.008 ( -2.569 -0.778 0.106) 2.686 3.008 ( -2.226 0.440 0.106) 2.272 3.008 ( 2.226 -0.440 0.106) 2.272 3.008 ( 2.569 0.778 0.106) 2.686 3.073 ( -3.642 -1.089 0.001) 3.802 3.073 ( -2.952 0.223 0.001) 2.961 3.073 ( 2.952 -0.223 0.001) 2.961 3.073 ( 3.642 1.089 0.001) 3.802 3.719 ( -0.708 -0.341 0.016) 0.786 3.719 ( -0.227 -0.062 0.016) 0.236 3.719 ( 0.227 0.062 0.016) 0.236 3.719 ( 0.708 0.341 0.016) 0.786 3.782 ( -1.669 -1.414 -0.115) 2.190 3.782 ( 1.530 -1.374 -0.115) 2.060 3.782 ( -1.530 1.374 -0.115) 2.060 3.782 ( 1.669 1.414 -0.115) 2.190 4.527 ( -0.496 -0.331 0.034) 0.597 4.527 ( -0.009 -0.218 0.034) 0.221 4.527 ( 0.009 0.218 0.034) 0.221 4.527 ( 0.496 0.331 0.034) 0.597 4.883 ( -0.003 -0.420 -0.006) 0.420 4.883 ( 0.003 -0.420 -0.006) 0.420 4.883 ( -0.003 0.420 -0.006) 0.420 4.883 ( 0.003 0.420 -0.006) 0.420======================= Grid point 130 (43/63) =======================q-point: ( 0.00 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 42Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.492 ( 0.000 0.000 -11.127) 11.127 0.492 ( 0.000 0.000 11.127) 11.127 0.565 ( 0.000 0.000 -14.982) 14.982 0.565 ( 0.000 0.000 14.982) 14.982 0.950 ( 0.000 0.000 -6.178) 6.178 0.950 ( 0.000 0.000 6.178) 6.178 0.969 ( 0.000 0.000 -23.645) 23.645 0.969 ( 0.000 0.000 23.645) 23.645 1.082 ( 0.000 0.000 -5.812) 5.812 1.082 ( 0.000 0.000 5.812) 5.812 1.164 ( 0.000 0.000 -0.307) 0.307 1.164 ( 0.000 0.000 0.307) 0.307 1.267 ( 0.000 0.000 -1.016) 1.016 1.267 ( 0.000 0.000 1.016) 1.016 1.307 ( 0.000 0.000 -1.602) 1.602 1.307 ( 0.000 0.000 1.602) 1.602 1.447 ( 0.000 0.000 -3.819) 3.819 1.447 ( 0.000 0.000 3.819) 3.819 1.595 ( 0.000 0.000 -0.656) 0.656 1.595 ( 0.000 0.000 0.656) 0.656 1.625 ( 0.000 0.000 -2.757) 2.757 1.625 ( 0.000 0.000 2.757) 2.757 1.637 ( 0.000 0.000 -2.595) 2.595 1.637 ( 0.000 0.000 2.595) 2.595 1.901 ( 0.000 0.000 -2.931) 2.931 1.901 ( 0.000 0.000 2.931) 2.931 1.980 ( 0.000 0.000 -1.726) 1.726 1.980 ( 0.000 0.000 1.726) 1.726 2.090 ( 0.000 0.000 -0.537) 0.537 2.090 ( 0.000 0.000 0.537) 0.537 2.152 ( 0.000 0.000 -3.885) 3.885 2.152 ( 0.000 0.000 3.885) 3.885 2.245 ( 0.000 0.000 -1.575) 1.575 2.245 ( 0.000 0.000 1.575) 1.575 2.424 ( 0.000 0.000 -3.769) 3.769 2.424 ( 0.000 0.000 3.769) 3.769 2.433 ( 0.000 0.000 -2.157) 2.157 2.433 ( 0.000 0.000 2.157) 2.157 2.498 ( 0.000 0.000 -3.643) 3.643 2.498 ( 0.000 0.000 3.643) 3.643 2.545 ( 0.000 0.000 -0.526) 0.526 2.545 ( 0.000 0.000 0.526) 0.526 2.579 ( 0.000 0.000 -3.085) 3.085 2.579 ( 0.000 0.000 3.085) 3.085 2.633 ( 0.000 0.000 -0.384) 0.384 2.633 ( 0.000 0.000 0.384) 0.384 2.820 ( 0.000 0.000 -0.457) 0.457 2.820 ( 0.000 0.000 0.457) 0.457 2.970 ( 0.000 0.000 -5.254) 5.254 2.970 ( 0.000 0.000 5.254) 5.254 3.094 ( 0.000 0.000 -2.969) 2.969 3.094 ( 0.000 0.000 2.969) 2.969 3.194 ( 0.000 0.000 -1.186) 1.186 3.194 ( 0.000 0.000 1.186) 1.186 3.429 ( 0.000 0.000 -3.340) 3.340 3.429 ( 0.000 0.000 3.340) 3.340 3.469 ( 0.000 0.000 -1.185) 1.185 3.469 ( 0.000 0.000 1.185) 1.185 3.669 ( 0.000 0.000 -0.619) 0.619 3.669 ( 0.000 0.000 0.619) 0.619 3.677 ( 0.000 0.000 -0.690) 0.690 3.677 ( 0.000 0.000 0.690) 0.690 3.731 ( 0.000 0.000 -2.297) 2.297 3.731 ( 0.000 0.000 2.297) 2.297 4.566 ( 0.000 0.000 -0.520) 0.520 4.566 ( 0.000 0.000 0.520) 0.520 4.713 ( 0.000 0.000 -2.385) 2.385 4.713 ( 0.000 0.000 2.385) 2.385 4.963 ( 0.000 0.000 -0.026) 0.026 4.963 ( 0.000 0.000 0.026) 0.026 5.061 ( 0.000 0.000 -0.939) 0.939 5.061 ( 0.000 0.000 0.939) 0.939======================= Grid point 132 (44/63) =======================q-point: ( 0.25 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 42Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.551 ( 5.807 0.000 -9.786) 11.380 0.551 ( 5.807 0.000 9.786) 11.380 0.617 ( 5.322 0.000 -12.224) 13.332 0.617 ( 5.322 0.000 12.224) 13.332 0.856 ( -7.796 0.000 -6.206) 9.965 0.856 ( -7.796 0.000 6.206) 9.965 0.953 ( -8.688 0.000 -4.860) 9.955 0.953 ( -8.688 0.000 4.860) 9.955 1.073 ( 7.717 0.000 -17.353) 18.991 1.073 ( 7.717 0.000 17.353) 18.991 1.218 ( 3.777 0.000 -0.521) 3.813 1.218 ( 3.777 0.000 0.521) 3.813 1.300 ( -0.729 0.000 -1.424) 1.600 1.300 ( -0.729 0.000 1.424) 1.600 1.320 ( 2.159 0.000 -6.039) 6.413 1.320 ( 2.159 0.000 6.039) 6.413 1.441 ( -0.096 0.000 -1.104) 1.108 1.441 ( -0.096 0.000 1.104) 1.108 1.541 ( -2.688 0.000 -4.285) 5.059 1.541 ( -2.688 0.000 4.285) 5.059 1.659 ( 3.561 0.000 -2.390) 4.289 1.659 ( 3.561 0.000 2.390) 4.289 1.697 ( 3.480 0.000 -6.031) 6.963 1.697 ( 3.480 0.000 6.031) 6.963 1.883 ( -6.834 0.000 -1.439) 6.984 1.883 ( -6.834 0.000 1.439) 6.984 1.910 ( -0.932 0.000 -1.567) 1.823 1.910 ( -0.932 0.000 1.567) 1.823 2.041 ( -6.533 0.000 -3.019) 7.197 2.041 ( -6.533 0.000 3.019) 7.197 2.180 ( 6.166 0.000 -0.980) 6.243 2.180 ( 6.166 0.000 0.980) 6.243 2.251 ( -0.861 0.000 -1.812) 2.006 2.251 ( -0.861 0.000 1.812) 2.006 2.387 ( -4.034 0.000 -1.629) 4.351 2.387 ( -4.034 0.000 1.629) 4.351 2.406 ( -1.140 0.000 -3.613) 3.789 2.406 ( -1.140 0.000 3.613) 3.789 2.489 ( -1.809 0.000 -1.517) 2.361 2.489 ( -1.809 0.000 1.517) 2.361 2.570 ( 1.922 0.000 -0.043) 1.923 2.570 ( 1.922 0.000 0.043) 1.923 2.626 ( -0.754 0.000 -0.363) 0.837 2.626 ( -0.754 0.000 0.363) 0.837 2.628 ( 5.529 0.000 -1.403) 5.704 2.628 ( 5.529 0.000 1.403) 5.704 2.798 ( -2.289 0.000 -1.025) 2.508 2.798 ( -2.289 0.000 1.025) 2.508 2.985 ( 2.001 0.000 -4.206) 4.657 2.985 ( 2.001 0.000 4.206) 4.657 3.124 ( -2.212 0.000 -1.436) 2.637 3.124 ( -2.212 0.000 1.436) 2.637 3.210 ( 5.311 0.000 -1.259) 5.459 3.210 ( 5.311 0.000 1.259) 5.459 3.402 ( -2.776 0.000 -3.370) 4.366 3.402 ( -2.776 0.000 3.370) 4.366 3.494 ( 2.722 0.000 -1.097) 2.935 3.494 ( 2.722 0.000 1.097) 2.935 3.670 ( 0.112 0.000 -0.625) 0.635 3.670 ( 0.112 0.000 0.625) 0.635 3.676 ( -0.110 0.000 -0.675) 0.684 3.676 ( -0.110 0.000 0.675) 0.684 3.681 ( -4.460 0.000 -1.015) 4.575 3.681 ( -4.460 0.000 1.015) 4.575 4.589 ( 1.924 0.000 -0.442) 1.974 4.589 ( 1.924 0.000 0.442) 1.974 4.675 ( -2.754 0.000 -1.634) 3.202 4.675 ( -2.754 0.000 1.634) 3.202 4.990 ( 1.326 0.000 -2.907) 3.195 4.990 ( 1.326 0.000 2.907) 3.195 5.079 ( 1.583 0.000 -1.014) 1.880 5.079 ( 1.583 0.000 1.014) 1.880======================= Grid point 134 (45/63) =======================q-point: (-0.50 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 35Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.680 ( -0.000 0.000 -0.000) 0.000 0.680 ( -0.000 0.000 0.000) 0.000 0.707 ( 0.000 0.000 -0.000) 0.000 0.707 ( 0.000 0.000 0.000) 0.000 0.733 ( -0.000 0.000 -0.000) 0.000 0.733 ( -0.000 0.000 0.000) 0.000 0.798 ( 0.000 0.000 -0.000) 0.000 0.798 ( 0.000 0.000 0.000) 0.000 1.198 ( 0.000 0.000 -0.000) 0.000 1.198 ( 0.000 0.000 0.000) 0.000 1.275 ( -0.000 0.000 -0.000) 0.000 1.275 ( 0.000 0.000 -0.000) 0.000 1.276 ( -0.000 0.000 0.000) 0.000 1.276 ( 0.000 0.000 0.000) 0.000 1.307 ( 0.000 0.000 -0.000) 0.000 1.307 ( 0.000 0.000 0.000) 0.000 1.456 ( 0.000 0.000 0.000) 0.000 1.456 ( 0.000 0.000 0.000) 0.000 1.511 ( 0.000 0.000 -0.000) 0.000 1.511 ( 0.000 0.000 0.000) 0.000 1.753 ( -0.000 0.000 -0.000) 0.000 1.753 ( 0.000 0.000 0.000) 0.000 1.757 ( 0.000 0.000 -0.000) 0.000 1.757 ( 0.000 0.000 0.000) 0.000 1.761 ( 0.000 0.000 -0.000) 0.000 1.761 ( -0.000 0.000 0.000) 0.000 1.822 ( 0.000 0.000 -0.000) 0.000 1.822 ( 0.000 0.000 0.000) 0.000 2.016 ( 0.000 0.000 -0.000) 0.000 2.016 ( 0.000 0.000 0.000) 0.000 2.227 ( 0.000 0.000 -0.000) 0.000 2.227 ( 0.000 0.000 0.000) 0.000 2.292 ( -0.000 0.000 -0.000) 0.000 2.292 ( -0.000 0.000 0.000) 0.000 2.296 ( 0.000 0.000 -0.000) 0.000 2.296 ( 0.000 0.000 0.000) 0.000 2.395 ( 0.000 0.000 0.000) 0.000 2.395 ( 0.000 0.000 0.000) 0.000 2.474 ( 0.000 0.000 0.000) 0.000 2.474 ( 0.000 0.000 0.000) 0.000 2.602 ( 0.000 0.000 0.000) 0.000 2.602 ( 0.000 0.000 0.000) 0.000 2.607 ( -0.000 0.000 0.000) 0.000 2.607 ( -0.000 0.000 0.000) 0.000 2.718 ( 0.000 0.000 0.000) 0.000 2.718 ( 0.000 0.000 0.000) 0.000 2.743 ( 0.000 0.000 -0.000) 0.000 2.743 ( 0.000 0.000 0.000) 0.000 3.040 ( -0.000 0.000 -0.000) 0.000 3.040 ( -0.000 0.000 0.000) 0.000 3.056 ( 0.000 0.000 -0.000) 0.000 3.056 ( 0.000 0.000 0.000) 0.000 3.313 ( 0.000 0.000 -0.000) 0.000 3.313 ( 0.000 0.000 0.000) 0.000 3.338 ( 0.000 0.000 0.000) 0.000 3.338 ( 0.000 0.000 0.000) 0.000 3.551 ( -0.000 0.000 0.000) 0.000 3.551 ( 0.000 0.000 0.000) 0.000 3.605 ( 0.000 0.000 0.000) 0.000 3.605 ( 0.000 0.000 0.000) 0.000 3.673 ( -0.000 0.000 -0.000) 0.000 3.673 ( 0.000 0.000 0.000) 0.000 3.673 ( -0.000 0.000 0.000) 0.000 3.673 ( 0.000 0.000 0.000) 0.000 4.623 ( 0.000 0.000 -0.000) 0.000 4.623 ( 0.000 0.000 0.000) 0.000 4.634 ( 0.000 0.000 -0.000) 0.000 4.634 ( 0.000 0.000 0.000) 0.000 5.000 ( 0.000 0.000 0.000) 0.000 5.000 ( 0.000 0.000 0.000) 0.000 5.098 ( 0.000 0.000 0.000) 0.000 5.098 ( 0.000 0.000 0.000) 0.000======================= Grid point 140 (46/63) =======================q-point: ( 0.00 0.08 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 54Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.553 ( 0.000 4.272 -7.613) 8.730 0.553 ( 0.000 4.272 7.613) 8.730 0.604 ( 0.000 4.155 -10.326) 11.130 0.604 ( 0.000 4.155 10.326) 11.130 0.952 ( 0.000 5.133 -9.134) 10.477 0.952 ( 0.000 5.133 9.134) 10.477 1.069 ( 0.000 2.227 -6.930) 7.279 1.069 ( 0.000 2.227 6.930) 7.279 1.152 ( 0.000 9.389 -7.944) 12.299 1.152 ( 0.000 9.389 7.944) 12.299 1.199 ( 0.000 2.391 -0.217) 2.401 1.199 ( 0.000 2.391 0.217) 2.401 1.293 ( 0.000 5.402 -0.699) 5.447 1.293 ( 0.000 5.402 0.699) 5.447 1.382 ( 0.000 4.989 -0.036) 4.989 1.382 ( 0.000 4.989 0.036) 4.989 1.464 ( 0.000 2.714 -2.508) 3.695 1.464 ( 0.000 2.714 2.508) 3.695 1.560 ( 0.000 0.444 -0.458) 0.638 1.560 ( 0.000 0.444 0.458) 0.638 1.654 ( 0.000 2.097 -0.085) 2.099 1.654 ( 0.000 2.097 0.085) 2.099 1.747 ( 0.000 7.731 -2.443) 8.108 1.747 ( 0.000 7.731 2.443) 8.108 1.914 ( 0.000 1.586 -2.492) 2.954 1.914 ( 0.000 1.586 2.492) 2.954 1.943 ( 0.000 -2.544 -1.310) 2.861 1.943 ( 0.000 -2.544 1.310) 2.861 2.048 ( 0.000 -3.774 -1.180) 3.954 2.048 ( 0.000 -3.774 1.180) 3.954 2.191 ( 0.000 1.479 -0.946) 1.756 2.191 ( 0.000 1.479 0.946) 1.756 2.252 ( 0.000 1.932 -2.192) 2.922 2.252 ( 0.000 1.932 2.192) 2.922 2.362 ( 0.000 -4.487 -0.461) 4.511 2.362 ( 0.000 -4.487 0.461) 4.511 2.461 ( 0.000 1.788 -3.078) 3.559 2.461 ( 0.000 1.788 3.078) 3.559 2.501 ( 0.000 -0.572 -1.316) 1.435 2.501 ( 0.000 -0.572 1.316) 1.435 2.544 ( 0.000 2.580 -1.998) 3.264 2.544 ( 0.000 2.580 1.998) 3.264 2.651 ( 0.000 6.032 -0.233) 6.036 2.651 ( 0.000 6.032 0.233) 6.036 2.730 ( 0.000 5.651 -2.441) 6.155 2.730 ( 0.000 5.651 2.441) 6.155 2.801 ( 0.000 -0.974 -0.934) 1.350 2.801 ( 0.000 -0.974 0.934) 1.350 2.939 ( 0.000 -2.855 -3.727) 4.695 2.939 ( 0.000 -2.855 3.727) 4.695 3.067 ( 0.000 -2.709 -2.807) 3.901 3.067 ( 0.000 -2.709 2.807) 3.901 3.181 ( 0.000 -1.164 -1.105) 1.606 3.181 ( 0.000 -1.164 1.105) 1.606 3.361 ( 0.000 -6.057 -2.234) 6.456 3.361 ( 0.000 -6.057 2.234) 6.456 3.450 ( 0.000 -1.782 -0.800) 1.953 3.450 ( 0.000 -1.782 0.800) 1.953 3.526 ( 0.000 -6.622 -3.017) 7.277 3.526 ( 0.000 -6.622 3.017) 7.277 3.744 ( 0.000 5.850 -0.483) 5.870 3.744 ( 0.000 5.850 0.483) 5.870 3.883 ( 0.000 7.425 -5.758) 9.396 3.883 ( 0.000 7.425 5.758) 9.396 4.562 ( 0.000 -0.349 -0.455) 0.573 4.562 ( 0.000 -0.349 0.455) 0.573 4.699 ( 0.000 -1.343 -1.764) 2.218 4.699 ( 0.000 -1.343 1.764) 2.218 4.945 ( 0.000 -1.541 -0.664) 1.678 4.945 ( 0.000 -1.541 0.664) 1.678 5.048 ( 0.000 -1.313 -0.831) 1.553 5.048 ( 0.000 -1.313 0.831) 1.553======================= Grid point 142 (47/63) =======================q-point: ( 0.25 0.08 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.586 ( 4.374 3.313 -8.941) 10.490 0.586 ( 4.374 3.313 8.941) 10.490 0.681 ( 6.271 5.630 -8.978) 12.314 0.681 ( 6.271 5.630 8.978) 12.314 0.889 ( -7.012 3.373 -4.313) 8.897 0.889 ( -7.012 3.373 4.313) 8.897 0.998 ( -6.945 4.208 -1.443) 8.248 0.998 ( -6.945 4.208 1.443) 8.248 1.157 ( 5.167 7.615 -10.821) 14.205 1.157 ( 5.167 7.615 10.821) 14.205 1.273 ( 4.144 4.463 -1.574) 6.291 1.273 ( 4.144 4.463 1.574) 6.291 1.326 ( 1.627 4.380 -4.842) 6.729 1.326 ( 1.627 4.380 4.842) 6.729 1.381 ( -0.326 4.242 -1.630) 4.556 1.381 ( -0.326 4.242 1.630) 4.556 1.467 ( 0.866 3.498 -1.223) 3.805 1.467 ( 0.866 3.498 1.223) 3.805 1.549 ( -1.484 1.033 -2.636) 3.197 1.549 ( -1.484 1.033 2.636) 3.197 1.629 ( -0.673 1.119 -1.562) 2.036 1.629 ( -0.673 1.119 1.562) 2.036 1.783 ( -1.705 0.503 -2.103) 2.753 1.783 ( -1.705 0.503 2.103) 2.753 1.847 ( -1.915 3.640 -1.710) 4.455 1.847 ( -1.915 3.640 1.710) 4.455 1.936 ( 1.244 0.897 -1.648) 2.251 1.936 ( 1.244 0.897 1.648) 2.251 2.094 ( -5.735 3.453 -1.533) 6.868 2.094 ( -5.735 3.453 1.533) 6.868 2.155 ( 4.980 -1.523 -0.642) 5.247 2.155 ( 4.980 -1.523 0.642) 5.247 2.239 ( -0.821 -1.565 -1.268) 2.175 2.239 ( -0.821 -1.565 1.268) 2.175 2.356 ( -0.070 -1.677 -0.339) 1.713 2.356 ( -0.070 -1.677 0.339) 1.713 2.439 ( -4.190 0.940 -1.064) 4.424 2.439 ( -4.190 0.940 1.064) 4.424 2.491 ( -0.224 2.053 -1.743) 2.703 2.491 ( -0.224 2.053 1.743) 2.703 2.572 ( 3.387 0.180 -1.504) 3.710 2.572 ( 3.387 0.180 1.504) 3.710 2.675 ( -0.175 4.210 -1.537) 4.485 2.675 ( -0.175 4.210 1.537) 4.485 2.707 ( -0.030 5.631 -1.890) 5.940 2.707 ( -0.030 5.631 1.890) 5.940 2.782 ( -1.760 -0.797 -1.700) 2.573 2.782 ( -1.760 -0.797 1.700) 2.573 2.957 ( 2.450 -2.656 -3.756) 5.212 2.957 ( 2.450 -2.656 3.756) 5.212 3.099 ( -1.506 -2.494 -1.540) 3.295 3.099 ( -1.506 -2.494 1.540) 3.295 3.190 ( 4.104 -1.911 -0.661) 4.575 3.190 ( 4.104 -1.911 0.661) 4.575 3.351 ( -1.594 -4.825 -3.435) 6.134 3.351 ( -1.594 -4.825 3.435) 6.134 3.451 ( 0.777 -3.447 -0.804) 3.623 3.451 ( 0.777 -3.447 0.804) 3.623 3.525 ( -0.498 -5.571 -2.297) 6.047 3.525 ( -0.498 -5.571 2.297) 6.047 3.751 ( 0.781 6.235 -0.422) 6.298 3.751 ( 0.781 6.235 0.422) 6.298 3.845 ( -3.184 7.507 -3.578) 8.905 3.845 ( -3.184 7.507 3.578) 8.905 4.583 ( 1.782 -0.548 -0.394) 1.906 4.583 ( 1.782 -0.548 0.394) 1.906 4.666 ( -2.467 -0.860 -1.350) 2.941 4.666 ( -2.467 -0.860 1.350) 2.941 4.972 ( 1.544 -1.658 -2.324) 3.245 4.972 ( 1.544 -1.658 2.324) 3.245 5.058 ( 1.010 -1.876 -1.019) 2.362 5.058 ( 1.010 -1.876 1.019) 2.362======================= Grid point 144 (48/63) =======================q-point: (-0.50 0.08 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 54Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.697 ( -0.000 2.736 -0.000) 2.736 0.697 ( -0.000 2.736 0.000) 2.736 0.727 ( 0.000 4.270 -0.000) 4.270 0.727 ( 0.000 4.270 0.000) 4.270 0.816 ( 0.000 4.063 -0.000) 4.063 0.816 ( -0.000 4.063 0.000) 4.063 0.872 ( 0.000 6.720 -0.000) 6.720 0.872 ( 0.000 6.720 0.000) 6.720 1.269 ( -0.000 7.620 -0.000) 7.620 1.269 ( 0.000 7.620 0.000) 7.620 1.286 ( 0.000 2.311 -0.000) 2.311 1.286 ( 0.000 2.311 0.000) 2.311 1.356 ( -0.000 3.619 -0.000) 3.619 1.356 ( -0.000 3.619 0.000) 3.619 1.359 ( 0.000 7.469 -0.000) 7.469 1.359 ( 0.000 7.469 0.000) 7.469 1.494 ( 0.000 3.697 -0.000) 3.697 1.494 ( 0.000 3.697 0.000) 3.697 1.520 ( 0.000 0.944 -0.000) 0.944 1.520 ( 0.000 0.944 0.000) 0.944 1.656 ( -0.000 -4.594 0.000) 4.594 1.656 ( -0.000 -4.594 0.000) 4.594 1.677 ( 0.000 -1.515 -0.000) 1.515 1.677 ( 0.000 -1.515 0.000) 1.515 1.886 ( -0.000 6.646 0.000) 6.646 1.886 ( -0.000 6.646 0.000) 6.646 1.936 ( 0.000 5.052 0.000) 5.052 1.936 ( 0.000 5.052 0.000) 5.052 2.024 ( 0.000 2.601 -0.000) 2.601 2.024 ( 0.000 2.601 0.000) 2.601 2.195 ( 0.000 -1.868 -0.000) 1.868 2.195 ( 0.000 -1.868 0.000) 1.868 2.272 ( 0.000 -2.747 0.000) 2.747 2.272 ( 0.000 -2.747 0.000) 2.747 2.335 ( 0.000 1.401 0.000) 1.401 2.335 ( 0.000 1.401 0.000) 1.401 2.386 ( 0.000 0.428 -0.000) 0.428 2.386 ( 0.000 0.428 0.000) 0.428 2.486 ( 0.000 2.211 0.000) 2.211 2.486 ( 0.000 2.211 0.000) 2.211 2.636 ( -0.000 2.218 0.000) 2.218 2.636 ( 0.000 2.218 0.000) 2.218 2.637 ( -0.000 -0.041 0.000) 0.041 2.637 ( 0.000 -0.041 -0.000) 0.041 2.721 ( 0.000 2.588 0.000) 2.588 2.721 ( 0.000 2.588 0.000) 2.588 2.759 ( -0.000 1.911 0.000) 1.911 2.759 ( 0.000 1.911 0.000) 1.911 3.024 ( -0.000 -1.528 -0.000) 1.528 3.024 ( -0.000 -1.528 0.000) 1.528 3.029 ( 0.000 -2.607 -0.000) 2.607 3.029 ( 0.000 -2.607 0.000) 2.607 3.290 ( -0.000 -3.947 -0.000) 3.947 3.290 ( -0.000 -3.947 0.000) 3.947 3.291 ( 0.000 -2.566 -0.000) 2.566 3.291 ( 0.000 -2.566 0.000) 2.566 3.473 ( 0.000 -7.026 0.000) 7.026 3.473 ( 0.000 -7.026 0.000) 7.026 3.510 ( 0.000 -2.806 0.000) 2.806 3.510 ( 0.000 -2.806 0.000) 2.806 3.769 ( -0.000 7.221 0.000) 7.221 3.769 ( 0.000 7.221 0.000) 7.221 3.798 ( -0.000 6.897 0.000) 6.897 3.798 ( 0.000 6.897 0.000) 6.897 4.614 ( 0.000 -0.852 -0.000) 0.852 4.614 ( 0.000 -0.852 0.000) 0.852 4.629 ( 0.000 -0.456 -0.000) 0.456 4.629 ( 0.000 -0.456 0.000) 0.456 4.985 ( 0.000 -1.412 0.000) 1.412 4.985 ( 0.000 -1.412 0.000) 1.412 5.072 ( 0.000 -2.447 0.000) 2.447 5.072 ( 0.000 -2.447 0.000) 2.447======================= Grid point 150 (49/63) =======================q-point: ( 0.00 0.17 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 57Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.639 ( 0.000 5.261 -2.884) 6.000 0.639 ( 0.000 5.261 2.884) 6.000 0.718 ( 0.000 7.582 -5.131) 9.155 0.718 ( 0.000 7.582 5.131) 9.155 1.077 ( 0.000 5.452 -1.098) 5.562 1.077 ( 0.000 5.452 1.098) 5.562 1.145 ( 0.000 5.869 -0.851) 5.930 1.145 ( 0.000 5.869 0.851) 5.930 1.234 ( 0.000 2.663 -0.436) 2.699 1.234 ( 0.000 2.663 0.436) 2.699 1.319 ( 0.000 6.834 -1.704) 7.044 1.319 ( 0.000 6.834 1.704) 7.044 1.450 ( 0.000 6.175 -2.161) 6.542 1.450 ( 0.000 6.175 2.161) 6.542 1.472 ( 0.000 6.921 -2.334) 7.304 1.472 ( 0.000 6.921 2.334) 7.304 1.570 ( 0.000 6.665 -2.299) 7.050 1.570 ( 0.000 6.665 2.299) 7.050 1.614 ( 0.000 5.429 -1.384) 5.602 1.614 ( 0.000 5.429 1.384) 5.602 1.712 ( 0.000 3.090 -2.404) 3.915 1.712 ( 0.000 3.090 2.404) 3.915 1.848 ( 0.000 1.657 -0.252) 1.676 1.848 ( 0.000 1.657 0.252) 1.676 1.921 ( 0.000 -4.276 -1.152) 4.429 1.921 ( 0.000 -4.276 1.152) 4.429 1.956 ( 0.000 6.160 -0.544) 6.184 1.956 ( 0.000 6.160 0.544) 6.184 2.017 ( 0.000 4.193 -0.768) 4.262 2.017 ( 0.000 4.193 0.768) 4.262 2.187 ( 0.000 -0.665 -0.586) 0.886 2.187 ( 0.000 -0.665 0.586) 0.886 2.276 ( 0.000 -4.087 -1.146) 4.245 2.276 ( 0.000 -4.087 1.146) 4.245 2.316 ( 0.000 3.099 -1.966) 3.670 2.316 ( 0.000 3.099 1.966) 3.670 2.456 ( 0.000 -1.639 -2.097) 2.662 2.456 ( 0.000 -1.639 2.097) 2.662 2.530 ( 0.000 3.511 -2.306) 4.201 2.530 ( 0.000 3.511 2.306) 4.201 2.623 ( 0.000 4.054 -2.532) 4.780 2.623 ( 0.000 4.054 2.532) 4.780 2.719 ( 0.000 -2.674 -1.984) 3.330 2.719 ( 0.000 -2.674 1.984) 3.330 2.767 ( 0.000 4.997 -0.115) 4.998 2.767 ( 0.000 4.997 0.115) 4.998 2.832 ( 0.000 -0.941 -0.034) 0.941 2.832 ( 0.000 -0.941 0.034) 0.941 2.910 ( 0.000 2.030 -3.063) 3.675 2.910 ( 0.000 2.030 3.063) 3.675 2.996 ( 0.000 -4.500 -1.765) 4.834 2.996 ( 0.000 -4.500 1.765) 4.834 3.153 ( 0.000 -1.695 -0.521) 1.774 3.153 ( 0.000 -1.695 0.521) 1.774 3.228 ( 0.000 -6.946 -0.526) 6.965 3.228 ( 0.000 -6.946 0.526) 6.965 3.412 ( 0.000 -1.192 -0.403) 1.258 3.412 ( 0.000 -1.192 0.403) 1.258 3.462 ( 0.000 -0.879 -1.187) 1.477 3.462 ( 0.000 -0.879 1.187) 1.477 3.849 ( 0.000 4.399 -0.048) 4.400 3.849 ( 0.000 4.399 0.048) 4.400 3.985 ( 0.000 3.227 -5.513) 6.388 3.985 ( 0.000 3.227 5.513) 6.388 4.555 ( 0.000 -0.317 -0.243) 0.400 4.555 ( 0.000 -0.317 0.243) 0.400 4.669 ( 0.000 -1.576 -0.710) 1.728 4.669 ( 0.000 -1.576 0.710) 1.728 4.915 ( 0.000 -1.484 -0.977) 1.777 4.915 ( 0.000 -1.484 0.977) 1.777 5.015 ( 0.000 -2.002 -0.619) 2.096 5.015 ( 0.000 -2.002 0.619) 2.096======================= Grid point 152 (50/63) =======================q-point: ( 0.25 0.17 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.689 ( 5.046 6.857 -4.898) 9.822 0.689 ( 5.046 6.857 4.898) 9.822 0.784 ( 5.786 5.547 -5.747) 9.863 0.784 ( 5.786 5.547 5.747) 9.863 0.984 ( -7.690 5.784 -3.696) 10.308 0.984 ( -7.690 5.784 3.696) 10.308 1.099 ( -5.149 6.043 -2.504) 8.324 1.099 ( -5.149 6.043 2.504) 8.324 1.283 ( 4.055 4.114 -2.375) 6.246 1.283 ( 4.055 4.114 2.375) 6.246 1.350 ( 3.359 4.037 -3.062) 6.079 1.350 ( 3.359 4.037 3.062) 6.079 1.417 ( -0.283 3.227 -2.078) 3.849 1.417 ( -0.283 3.227 2.078) 3.849 1.510 ( 0.781 9.006 -1.306) 9.133 1.510 ( 0.781 9.006 1.306) 9.133 1.574 ( 0.098 4.811 -0.602) 4.849 1.574 ( 0.098 4.811 0.602) 4.849 1.609 ( -0.391 7.088 -1.330) 7.222 1.609 ( -0.391 7.088 1.330) 7.222 1.694 ( -3.139 3.877 -1.519) 5.215 1.694 ( -3.139 3.877 1.519) 5.215 1.766 ( -4.237 1.586 -1.332) 4.716 1.766 ( -4.237 1.586 1.332) 4.716 1.938 ( 1.104 1.427 -1.808) 2.554 1.938 ( 1.104 1.427 1.808) 2.554 1.995 ( 0.612 5.851 -1.193) 6.003 1.995 ( 0.612 5.851 1.193) 6.003 2.080 ( 6.725 -1.606 -0.658) 6.946 2.080 ( 6.725 -1.606 0.658) 6.946 2.167 ( -1.233 0.133 -0.362) 1.292 2.167 ( -1.233 0.133 0.362) 1.292 2.235 ( -3.225 1.945 -2.496) 4.518 2.235 ( -3.225 1.945 2.496) 4.518 2.335 ( 0.903 -0.332 -2.950) 3.103 2.335 ( 0.903 -0.332 2.950) 3.103 2.427 ( -1.981 -1.104 -2.154) 3.128 2.427 ( -1.981 -1.104 2.154) 3.128 2.557 ( 0.845 2.094 -2.626) 3.463 2.557 ( 0.845 2.094 2.626) 3.463 2.580 ( -2.004 1.340 -2.077) 3.181 2.580 ( -2.004 1.340 2.077) 3.181 2.701 ( -2.325 -1.122 -1.626) 3.051 2.701 ( -2.325 -1.122 1.626) 3.051 2.788 ( 2.158 4.073 -0.846) 4.687 2.788 ( 2.158 4.073 0.846) 4.687 2.837 ( -1.697 4.112 -3.434) 5.619 2.837 ( -1.697 4.112 3.434) 5.619 2.901 ( 2.703 -2.457 -2.682) 4.532 2.901 ( 2.703 -2.457 2.682) 4.532 3.039 ( 0.100 -3.362 -1.363) 3.629 3.039 ( 0.100 -3.362 1.363) 3.629 3.142 ( 1.533 -3.121 -0.627) 3.533 3.142 ( 1.533 -3.121 0.627) 3.533 3.238 ( 0.057 -5.957 -1.719) 6.200 3.238 ( 0.057 -5.957 1.719) 6.200 3.403 ( -0.606 -0.822 -0.474) 1.126 3.403 ( -0.606 -0.822 0.474) 1.126 3.465 ( 0.101 -1.307 -0.863) 1.569 3.465 ( 0.101 -1.307 0.863) 1.569 3.861 ( 1.245 4.487 -0.549) 4.688 3.861 ( 1.245 4.487 0.549) 4.688 3.954 ( -2.774 3.752 -3.964) 6.122 3.954 ( -2.774 3.752 3.964) 6.122 4.571 ( 1.438 -0.568 -0.202) 1.560 4.571 ( 1.438 -0.568 0.202) 1.560 4.647 ( -1.858 -1.089 -0.712) 2.268 4.647 ( -1.858 -1.089 0.712) 2.268 4.937 ( 1.557 -1.826 -1.407) 2.782 4.937 ( 1.557 -1.826 1.407) 2.782 5.016 ( 0.095 -2.383 -0.827) 2.524 5.016 ( 0.095 -2.383 0.827) 2.524======================= Grid point 154 (51/63) =======================q-point: (-0.50 0.17 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 55Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.806 ( -0.000 6.840 0.000) 6.840 0.806 ( 0.000 6.840 0.000) 6.840 0.830 ( -0.000 6.095 0.000) 6.095 0.830 ( -0.000 6.095 0.000) 6.095 0.884 ( 0.000 4.778 -0.000) 4.778 0.884 ( 0.000 4.778 0.000) 4.778 1.009 ( 0.000 7.058 0.000) 7.058 1.009 ( 0.000 7.058 0.000) 7.058 1.337 ( -0.000 1.574 0.000) 1.574 1.337 ( 0.000 1.574 0.000) 1.574 1.404 ( -0.000 3.268 0.000) 3.268 1.404 ( 0.000 3.268 0.000) 3.268 1.435 ( 0.000 4.657 -0.000) 4.657 1.435 ( -0.000 4.657 0.000) 4.657 1.503 ( 0.000 4.619 -0.000) 4.619 1.503 ( 0.000 4.619 0.000) 4.619 1.581 ( 0.000 5.907 -0.000) 5.907 1.581 ( 0.000 5.907 0.000) 5.907 1.585 ( -0.000 6.249 -0.000) 6.249 1.585 ( -0.000 6.249 0.000) 6.249 1.639 ( 0.000 5.564 0.000) 5.564 1.639 ( 0.000 5.564 0.000) 5.564 1.724 ( 0.000 5.206 0.000) 5.206 1.724 ( 0.000 5.206 0.000) 5.206 1.964 ( 0.000 0.234 0.000) 0.234 1.964 ( 0.000 0.234 0.000) 0.234 1.991 ( 0.000 3.804 0.000) 3.804 1.991 ( 0.000 3.804 0.000) 3.804 2.141 ( 0.000 6.754 0.000) 6.754 2.141 ( 0.000 6.754 0.000) 6.754 2.185 ( 0.000 1.362 0.000) 1.362 2.185 ( 0.000 1.362 0.000) 1.362 2.205 ( -0.000 -3.100 0.000) 3.100 2.205 ( 0.000 -3.100 0.000) 3.100 2.314 ( 0.000 -2.017 0.000) 2.017 2.314 ( 0.000 -2.017 0.000) 2.017 2.415 ( 0.000 1.046 -0.000) 1.046 2.415 ( 0.000 1.046 0.000) 1.046 2.542 ( 0.000 2.160 0.000) 2.160 2.542 ( 0.000 2.160 0.000) 2.160 2.582 ( 0.000 -3.291 0.000) 3.291 2.582 ( 0.000 -3.291 0.000) 3.291 2.673 ( 0.000 1.624 -0.000) 1.624 2.673 ( 0.000 1.624 0.000) 1.624 2.812 ( 0.000 4.989 -0.000) 4.989 2.812 ( -0.000 4.989 0.000) 4.989 2.813 ( -0.000 3.016 -0.000) 3.016 2.813 ( 0.000 3.016 0.000) 3.016 2.972 ( -0.000 -2.843 -0.000) 2.843 2.972 ( -0.000 -2.843 0.000) 2.843 2.987 ( 0.000 -2.090 -0.000) 2.090 2.987 ( 0.000 -2.090 0.000) 2.090 3.203 ( -0.000 -5.964 -0.000) 5.964 3.203 ( -0.000 -5.964 0.000) 5.964 3.212 ( 0.000 -3.912 -0.000) 3.912 3.212 ( 0.000 -3.912 0.000) 3.912 3.397 ( 0.000 -0.822 0.000) 0.822 3.397 ( 0.000 -0.822 0.000) 0.822 3.465 ( 0.000 -1.459 0.000) 1.459 3.465 ( 0.000 -1.459 0.000) 1.459 3.894 ( 0.000 5.043 -0.000) 5.043 3.894 ( 0.000 5.043 0.000) 5.043 3.902 ( -0.000 3.743 -0.000) 3.743 3.902 ( 0.000 3.743 0.000) 3.743 4.595 ( 0.000 -0.959 0.000) 0.959 4.595 ( 0.000 -0.959 0.000) 0.959 4.619 ( 0.000 -0.586 0.000) 0.586 4.619 ( 0.000 -0.586 0.000) 0.586 4.953 ( 0.000 -1.774 0.000) 1.774 4.953 ( 0.000 -1.774 0.000) 1.774 5.018 ( 0.000 -2.944 0.000) 2.944 5.018 ( 0.000 -2.944 0.000) 2.944======================= Grid point 160 (52/63) =======================q-point: ( 0.00 0.25 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 54Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.763 ( 0.000 7.488 -1.027) 7.558 0.763 ( 0.000 7.488 1.027) 7.558 0.889 ( 0.000 9.940 -4.558) 10.935 0.889 ( 0.000 9.940 4.558) 10.935 1.143 ( 0.000 2.107 -6.175) 6.525 1.143 ( 0.000 2.107 6.175) 6.525 1.265 ( 0.000 5.602 -2.122) 5.991 1.265 ( 0.000 5.602 2.122) 5.991 1.307 ( 0.000 4.873 -3.548) 6.028 1.307 ( 0.000 4.873 3.548) 6.028 1.411 ( 0.000 2.776 -2.377) 3.655 1.411 ( 0.000 2.776 2.377) 3.655 1.535 ( 0.000 0.722 -0.104) 0.729 1.535 ( 0.000 0.722 0.104) 0.729 1.578 ( 0.000 6.101 -1.565) 6.298 1.578 ( 0.000 6.101 1.565) 6.298 1.680 ( 0.000 4.900 -1.959) 5.277 1.680 ( 0.000 4.900 1.959) 5.277 1.716 ( 0.000 -0.780 -2.428) 2.551 1.716 ( 0.000 -0.780 2.428) 2.551 1.751 ( 0.000 4.745 -0.694) 4.795 1.751 ( 0.000 4.745 0.694) 4.795 1.829 ( 0.000 -3.566 -0.550) 3.608 1.829 ( 0.000 -3.566 0.550) 3.608 1.941 ( 0.000 8.118 -2.947) 8.636 1.941 ( 0.000 8.118 2.947) 8.636 2.093 ( 0.000 5.561 -1.722) 5.821 2.093 ( 0.000 5.561 1.722) 5.821 2.120 ( 0.000 4.921 -2.761) 5.642 2.120 ( 0.000 4.921 2.761) 5.642 2.198 ( 0.000 2.207 -3.695) 4.303 2.198 ( 0.000 2.207 3.695) 4.303 2.213 ( 0.000 -1.778 -2.216) 2.841 2.213 ( 0.000 -1.778 2.216) 2.841 2.336 ( 0.000 -1.289 -6.578) 6.703 2.336 ( 0.000 -1.289 6.578) 6.703 2.452 ( 0.000 1.944 -0.477) 2.001 2.452 ( 0.000 1.944 0.477) 2.001 2.587 ( 0.000 2.361 -3.050) 3.857 2.587 ( 0.000 2.361 3.050) 3.857 2.665 ( 0.000 -2.172 -2.112) 3.029 2.665 ( 0.000 -2.172 2.112) 3.029 2.677 ( 0.000 -0.116 -2.092) 2.095 2.677 ( 0.000 -0.116 2.092) 2.095 2.804 ( 0.000 0.330 -0.937) 0.993 2.804 ( 0.000 0.330 0.937) 0.993 2.849 ( 0.000 2.428 -0.262) 2.442 2.849 ( 0.000 2.428 0.262) 2.442 2.899 ( 0.000 -3.814 -0.674) 3.873 2.899 ( 0.000 -3.814 0.674) 3.873 2.965 ( 0.000 1.727 -2.266) 2.849 2.965 ( 0.000 1.727 2.266) 2.849 3.100 ( 0.000 -3.632 -0.266) 3.641 3.100 ( 0.000 -3.632 0.266) 3.641 3.145 ( 0.000 -1.228 -1.054) 1.618 3.145 ( 0.000 -1.228 1.054) 1.618 3.422 ( 0.000 2.161 -1.196) 2.470 3.422 ( 0.000 2.161 1.196) 2.470 3.474 ( 0.000 2.122 -2.784) 3.500 3.474 ( 0.000 2.122 2.784) 3.500 3.902 ( 0.000 1.045 -0.253) 1.076 3.902 ( 0.000 1.045 0.253) 1.076 4.011 ( 0.000 -0.364 -3.863) 3.880 4.011 ( 0.000 -0.364 3.863) 3.880 4.549 ( 0.000 -0.412 -0.053) 0.415 4.549 ( 0.000 -0.412 0.053) 0.415 4.638 ( 0.000 -1.731 -0.045) 1.732 4.638 ( 0.000 -1.731 0.045) 1.732 4.890 ( 0.000 -1.057 -0.782) 1.315 4.890 ( 0.000 -1.057 0.782) 1.315 4.975 ( 0.000 -2.105 -0.457) 2.154 4.975 ( 0.000 -2.105 0.457) 2.154======================= Grid point 162 (53/63) =======================q-point: ( 0.25 0.25 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.820 ( 4.899 6.635 -3.345) 8.900 0.820 ( 4.899 6.635 3.345) 8.900 0.923 ( 3.220 8.703 -3.678) 9.982 0.923 ( 3.220 8.703 3.678) 9.982 1.085 ( -4.398 4.735 -4.443) 7.843 1.085 ( -4.398 4.735 4.443) 7.843 1.218 ( -3.950 5.600 -3.428) 7.662 1.218 ( -3.950 5.600 3.428) 7.662 1.351 ( 1.157 3.713 -2.336) 4.537 1.351 ( 1.157 3.713 2.336) 4.537 1.415 ( -0.755 2.881 -3.312) 4.454 1.415 ( -0.755 2.881 3.312) 4.454 1.467 ( 1.498 2.357 -1.569) 3.203 1.467 ( 1.498 2.357 1.569) 3.203 1.611 ( -4.677 -0.283 -1.402) 4.891 1.611 ( -4.677 -0.283 1.402) 4.891 1.643 ( 1.363 3.571 -2.485) 4.559 1.643 ( 1.363 3.571 2.485) 4.559 1.723 ( 0.623 4.738 -1.336) 4.962 1.723 ( 0.623 4.738 1.336) 4.962 1.790 ( 2.833 5.107 -2.217) 6.247 1.790 ( 2.833 5.107 2.217) 6.247 1.875 ( -3.838 6.761 -1.836) 7.989 1.875 ( -3.838 6.761 1.836) 7.989 1.914 ( 3.691 -2.535 -0.271) 4.486 1.914 ( 3.691 -2.535 0.271) 4.486 2.085 ( 1.064 4.320 -0.521) 4.479 2.085 ( 1.064 4.320 0.521) 4.479 2.106 ( -0.716 3.823 -1.206) 4.073 2.106 ( -0.716 3.823 1.206) 4.073 2.207 ( 0.684 2.648 -3.789) 4.673 2.207 ( 0.684 2.648 3.789) 4.673 2.253 ( 2.198 0.865 -1.300) 2.697 2.253 ( 2.198 0.865 1.300) 2.697 2.340 ( -0.754 -0.284 -1.763) 1.939 2.340 ( -0.754 -0.284 1.763) 1.939 2.417 ( -1.933 0.874 -1.715) 2.728 2.417 ( -1.933 0.874 1.715) 2.728 2.558 ( -3.325 0.312 -2.912) 4.431 2.558 ( -3.325 0.312 2.912) 4.431 2.616 ( -2.574 0.449 -0.241) 2.624 2.616 ( -2.574 0.449 0.241) 2.624 2.679 ( 0.454 -1.508 -1.247) 2.009 2.679 ( 0.454 -1.508 1.247) 2.009 2.840 ( 2.190 1.193 -1.030) 2.698 2.840 ( 2.190 1.193 1.030) 2.698 2.876 ( 2.329 0.886 -0.742) 2.600 2.876 ( 2.329 0.886 0.742) 2.600 2.897 ( -0.408 0.959 -0.369) 1.106 2.897 ( -0.408 0.959 0.369) 1.106 2.991 ( 1.011 -1.023 -2.266) 2.684 2.991 ( 1.011 -1.023 2.266) 2.684 3.075 ( -0.370 -3.268 -2.189) 3.951 3.075 ( -0.370 -3.268 2.189) 3.951 3.156 ( 0.102 -2.468 -1.068) 2.691 3.156 ( 0.102 -2.468 1.068) 2.691 3.421 ( -0.053 2.540 -0.848) 2.678 3.421 ( -0.053 2.540 0.848) 2.678 3.470 ( -0.347 1.907 -1.979) 2.770 3.470 ( -0.347 1.907 1.979) 2.770 3.913 ( 1.185 0.965 -0.644) 1.658 3.913 ( 1.185 0.965 0.644) 1.658 3.990 ( -1.975 0.075 -3.009) 3.601 3.990 ( -1.975 0.075 3.009) 3.601 4.561 ( 1.057 -0.627 -0.101) 1.233 4.561 ( 1.057 -0.627 0.101) 1.233 4.624 ( -1.273 -1.389 -0.208) 1.896 4.624 ( -1.273 -1.389 0.208) 1.896 4.905 ( 1.235 -1.373 -0.826) 2.023 4.905 ( 1.235 -1.373 0.826) 2.023 4.971 ( -0.377 -2.225 -0.553) 2.323 4.971 ( -0.377 -2.225 0.553) 2.323======================= Grid point 164 (54/63) =======================q-point: (-0.50 0.25 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 54Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.896 ( 0.000 3.947 0.000) 3.947 0.896 ( 0.000 3.947 0.000) 3.947 0.946 ( -0.000 5.671 -0.000) 5.671 0.946 ( 0.000 5.671 0.000) 5.671 1.056 ( -0.000 11.342 -0.000) 11.342 1.056 ( 0.000 11.342 0.000) 11.342 1.143 ( 0.000 6.735 0.000) 6.735 1.143 ( 0.000 6.735 0.000) 6.735 1.352 ( -0.000 1.002 0.000) 1.002 1.352 ( -0.000 1.002 0.000) 1.002 1.414 ( 0.000 -0.689 -0.000) 0.689 1.414 ( 0.000 -0.689 0.000) 0.689 1.532 ( -0.000 5.372 0.000) 5.372 1.532 ( 0.000 5.372 0.000) 5.372 1.542 ( -0.000 0.227 -0.000) 0.227 1.542 ( 0.000 0.227 -0.000) 0.227 1.659 ( -0.000 3.794 -0.000) 3.794 1.659 ( 0.000 3.794 0.000) 3.794 1.708 ( 0.000 5.072 0.000) 5.072 1.708 ( 0.000 5.072 0.000) 5.072 1.797 ( 0.000 1.184 0.000) 1.184 1.797 ( 0.000 1.184 0.000) 1.184 1.838 ( 0.000 9.300 -0.000) 9.300 1.838 ( 0.000 9.300 0.000) 9.300 1.973 ( 0.000 0.195 0.000) 0.195 1.973 ( 0.000 0.195 0.000) 0.195 2.063 ( 0.000 4.624 0.000) 4.624 2.063 ( 0.000 4.624 0.000) 4.624 2.158 ( -0.000 1.507 0.000) 1.507 2.158 ( -0.000 1.507 0.000) 1.507 2.219 ( 0.000 0.449 0.000) 0.449 2.219 ( 0.000 0.449 0.000) 0.449 2.270 ( -0.000 4.261 0.000) 4.261 2.270 ( 0.000 4.261 0.000) 4.261 2.283 ( 0.000 -0.494 0.000) 0.494 2.283 ( 0.000 -0.494 0.000) 0.494 2.438 ( 0.000 2.333 0.000) 2.333 2.438 ( -0.000 2.333 0.000) 2.333 2.494 ( 0.000 -3.349 0.000) 3.349 2.494 ( 0.000 -3.349 0.000) 3.349 2.594 ( 0.000 1.031 -0.000) 1.031 2.594 ( 0.000 1.031 0.000) 1.031 2.689 ( 0.000 -0.472 0.000) 0.472 2.689 ( 0.000 -0.472 0.000) 0.472 2.855 ( -0.000 1.367 0.000) 1.367 2.855 ( 0.000 1.367 0.000) 1.367 2.886 ( 0.000 2.494 -0.000) 2.494 2.886 ( 0.000 2.494 0.000) 2.494 2.937 ( -0.000 -0.488 -0.000) 0.488 2.937 ( 0.000 -0.488 0.000) 0.488 2.959 ( -0.000 -0.478 0.000) 0.478 2.959 ( 0.000 -0.478 0.000) 0.478 3.102 ( 0.000 -3.953 0.000) 3.953 3.102 ( -0.000 -3.953 0.000) 3.953 3.145 ( -0.000 -2.913 0.000) 2.913 3.145 ( 0.000 -2.913 0.000) 2.913 3.421 ( 0.000 2.965 0.000) 2.965 3.421 ( 0.000 2.965 0.000) 2.965 3.466 ( 0.000 1.669 0.000) 1.669 3.466 ( 0.000 1.669 0.000) 1.669 3.941 ( -0.000 0.377 -0.000) 0.377 3.941 ( 0.000 0.377 0.000) 0.377 3.952 ( -0.000 1.003 -0.000) 1.003 3.952 ( -0.000 1.003 0.000) 1.003 4.578 ( 0.000 -0.941 0.000) 0.941 4.578 ( 0.000 -0.941 0.000) 0.941 4.604 ( 0.000 -0.998 0.000) 0.998 4.604 ( 0.000 -0.998 0.000) 0.998 4.921 ( 0.000 -1.523 0.000) 1.523 4.921 ( 0.000 -1.523 0.000) 1.523 4.965 ( 0.000 -2.439 0.000) 2.439 4.965 ( 0.000 -2.439 0.000) 2.439======================= Grid point 170 (55/63) =======================q-point: ( 0.00 0.33 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 57Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.912 ( 0.000 7.557 -3.317) 8.253 0.912 ( 0.000 7.557 3.317) 8.253 1.088 ( 0.000 10.316 -5.031) 11.478 1.088 ( 0.000 10.316 5.031) 11.478 1.181 ( 0.000 2.124 -5.881) 6.253 1.181 ( 0.000 2.124 5.881) 6.253 1.334 ( 0.000 2.316 -1.107) 2.567 1.334 ( 0.000 2.316 1.107) 2.567 1.419 ( 0.000 4.169 -0.527) 4.202 1.419 ( 0.000 4.169 0.527) 4.202 1.434 ( 0.000 1.309 -2.944) 3.221 1.434 ( 0.000 1.309 2.944) 3.221 1.484 ( 0.000 -3.844 -2.341) 4.501 1.484 ( 0.000 -3.844 2.341) 4.501 1.677 ( 0.000 0.802 -1.525) 1.723 1.677 ( 0.000 0.802 1.525) 1.723 1.729 ( 0.000 1.878 -3.445) 3.923 1.729 ( 0.000 1.878 3.445) 3.923 1.768 ( 0.000 3.891 -0.247) 3.899 1.768 ( 0.000 3.891 0.247) 3.899 1.783 ( 0.000 4.067 -0.223) 4.073 1.783 ( 0.000 4.067 0.223) 4.073 1.834 ( 0.000 2.194 -2.066) 3.014 1.834 ( 0.000 2.194 2.066) 3.014 2.009 ( 0.000 -1.581 -0.644) 1.707 2.009 ( 0.000 -1.581 0.644) 1.707 2.169 ( 0.000 -0.022 -1.507) 1.507 2.169 ( 0.000 -0.022 1.507) 1.507 2.197 ( 0.000 1.293 -4.608) 4.786 2.197 ( 0.000 1.293 4.608) 4.786 2.217 ( 0.000 -0.880 -7.440) 7.492 2.217 ( 0.000 -0.880 7.440) 7.492 2.254 ( 0.000 8.310 -6.046) 10.277 2.254 ( 0.000 8.310 6.046) 10.277 2.306 ( 0.000 0.281 -5.079) 5.087 2.306 ( 0.000 0.281 5.079) 5.087 2.522 ( 0.000 1.422 -0.058) 1.423 2.522 ( 0.000 1.422 0.058) 1.423 2.604 ( 0.000 -3.397 -1.520) 3.722 2.604 ( 0.000 -3.397 1.520) 3.722 2.618 ( 0.000 0.789 -0.101) 0.796 2.618 ( 0.000 0.789 0.101) 0.796 2.655 ( 0.000 0.934 -0.398) 1.015 2.655 ( 0.000 0.934 0.398) 1.015 2.814 ( 0.000 -2.248 -0.679) 2.348 2.814 ( 0.000 -2.248 0.679) 2.348 2.847 ( 0.000 2.603 -0.224) 2.612 2.847 ( 0.000 2.603 0.224) 2.612 2.905 ( 0.000 1.233 -0.014) 1.233 2.905 ( 0.000 1.233 0.014) 1.233 2.984 ( 0.000 0.377 -0.809) 0.893 2.984 ( 0.000 0.377 0.809) 0.893 3.059 ( 0.000 -0.765 -3.177) 3.268 3.059 ( 0.000 -0.765 3.177) 3.268 3.141 ( 0.000 0.532 -0.356) 0.640 3.141 ( 0.000 0.532 0.356) 0.640 3.490 ( 0.000 4.812 -1.722) 5.111 3.490 ( 0.000 4.812 1.722) 5.111 3.541 ( 0.000 4.599 -2.001) 5.015 3.541 ( 0.000 4.599 2.001) 5.015 3.893 ( 0.000 -1.825 -0.331) 1.854 3.893 ( 0.000 -1.825 0.331) 1.854 3.976 ( 0.000 -3.158 -2.521) 4.041 3.976 ( 0.000 -3.158 2.521) 4.041 4.537 ( 0.000 -0.824 -0.218) 0.852 4.537 ( 0.000 -0.824 0.218) 0.852 4.600 ( 0.000 -2.194 -0.376) 2.226 4.600 ( 0.000 -2.194 0.376) 2.226 4.875 ( 0.000 -0.502 -0.494) 0.704 4.875 ( 0.000 -0.502 0.494) 0.704 4.936 ( 0.000 -1.878 -0.336) 1.908 4.936 ( 0.000 -1.878 0.336) 1.908======================= Grid point 172 (56/63) =======================q-point: ( 0.25 0.33 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.951 ( 3.118 6.881 -3.430) 8.296 0.951 ( 3.118 6.881 3.430) 8.296 1.075 ( -1.746 6.262 -2.808) 7.081 1.075 ( -1.746 6.262 2.808) 7.081 1.189 ( 2.242 6.285 -2.332) 7.069 1.189 ( 2.242 6.285 2.332) 7.069 1.301 ( -2.713 3.476 -2.308) 4.977 1.301 ( -2.713 3.476 2.308) 4.977 1.385 ( -0.792 -0.816 -4.261) 4.410 1.385 ( -0.792 -0.816 4.261) 4.410 1.464 ( -1.936 1.196 -2.174) 3.147 1.464 ( -1.936 1.196 2.174) 3.147 1.534 ( 6.049 4.866 -2.503) 8.157 1.534 ( 6.049 4.866 2.503) 8.157 1.612 ( -6.005 1.478 -1.133) 6.287 1.612 ( -6.005 1.478 1.133) 6.287 1.680 ( 0.252 1.055 -2.120) 2.381 1.680 ( 0.252 1.055 2.120) 2.381 1.785 ( 2.727 -0.261 -1.767) 3.260 1.785 ( 2.727 -0.261 1.767) 3.260 1.846 ( 0.108 2.433 -1.337) 2.779 1.846 ( 0.108 2.433 1.337) 2.779 1.896 ( 0.248 1.597 -1.415) 2.148 1.896 ( 0.248 1.597 1.415) 2.148 1.949 ( 0.628 2.591 -1.033) 2.859 1.949 ( 0.628 2.591 1.033) 2.859 2.129 ( -2.436 -2.234 -4.429) 5.527 2.129 ( -2.436 -2.234 4.429) 5.527 2.190 ( -0.607 0.118 -4.408) 4.451 2.190 ( -0.607 0.118 4.408) 4.451 2.237 ( 0.650 2.268 -5.731) 6.198 2.237 ( 0.650 2.268 5.731) 6.198 2.301 ( 1.913 4.608 -3.093) 5.870 2.301 ( 1.913 4.608 3.093) 5.870 2.321 ( 2.724 1.234 -1.654) 3.417 2.321 ( 2.724 1.234 1.654) 3.417 2.481 ( -4.158 3.582 -1.106) 5.599 2.481 ( -4.158 3.582 1.106) 5.599 2.552 ( -3.384 -2.455 -1.976) 4.624 2.552 ( -3.384 -2.455 1.976) 4.624 2.603 ( -0.434 -0.198 -1.929) 1.987 2.603 ( -0.434 -0.198 1.929) 1.987 2.651 ( -0.318 -0.301 -0.836) 0.943 2.651 ( -0.318 -0.301 0.836) 0.943 2.859 ( 2.110 0.187 -0.363) 2.149 2.859 ( 2.110 0.187 0.363) 2.149 2.880 ( 3.131 0.900 -0.783) 3.350 2.880 ( 3.131 0.900 0.783) 3.350 2.919 ( 1.048 0.865 -1.119) 1.761 2.919 ( 1.048 0.865 1.119) 1.761 2.991 ( 0.518 0.532 -0.567) 0.935 2.991 ( 0.518 0.532 0.567) 0.935 3.038 ( -1.094 -0.587 -0.942) 1.559 3.038 ( -1.094 -0.587 0.942) 1.559 3.132 ( -1.149 -0.305 -0.598) 1.331 3.132 ( -1.149 -0.305 0.598) 1.331 3.495 ( 0.472 4.997 -1.550) 5.253 3.495 ( 0.472 4.997 1.550) 5.253 3.535 ( -0.549 4.608 -1.750) 4.960 3.535 ( -0.549 4.608 1.750) 4.960 3.902 ( 0.936 -1.964 -0.586) 2.253 3.902 ( 0.936 -1.964 0.586) 2.253 3.961 ( -1.354 -2.883 -2.056) 3.791 3.961 ( -1.354 -2.883 2.056) 3.791 4.545 ( 0.728 -0.993 -0.263) 1.259 4.545 ( 0.728 -0.993 0.263) 1.259 4.591 ( -0.825 -1.957 -0.319) 2.147 4.591 ( -0.825 -1.957 0.319) 2.147 4.885 ( 0.833 -0.765 -0.474) 1.226 4.885 ( 0.833 -0.765 0.474) 1.226 4.932 ( -0.439 -1.832 -0.360) 1.918 4.932 ( -0.439 -1.832 0.360) 1.918======================= Grid point 174 (57/63) =======================q-point: (-0.50 0.33 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 55Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.990 ( 0.000 5.929 0.000) 5.929 0.990 ( 0.000 5.929 0.000) 5.929 1.046 ( -0.000 4.842 0.000) 4.842 1.046 ( 0.000 4.842 0.000) 4.842 1.245 ( -0.000 3.350 -0.000) 3.350 1.245 ( -0.000 3.350 0.000) 3.350 1.263 ( 0.000 8.757 -0.000) 8.757 1.263 ( 0.000 8.757 0.000) 8.757 1.392 ( 0.000 -1.296 -0.000) 1.296 1.392 ( -0.000 -1.296 0.000) 1.296 1.405 ( -0.000 4.642 -0.000) 4.642 1.405 ( 0.000 4.642 0.000) 4.642 1.546 ( 0.000 1.003 0.000) 1.003 1.546 ( 0.000 1.003 0.000) 1.003 1.624 ( -0.000 3.077 -0.000) 3.077 1.624 ( 0.000 3.077 0.000) 3.077 1.729 ( -0.000 3.653 0.000) 3.653 1.729 ( -0.000 3.653 0.000) 3.653 1.740 ( 0.000 -1.338 -0.000) 1.338 1.740 ( 0.000 -1.338 -0.000) 1.338 1.826 ( 0.000 3.979 -0.000) 3.979 1.826 ( 0.000 3.979 0.000) 3.979 1.894 ( -0.000 -3.175 -0.000) 3.175 1.894 ( 0.000 -3.175 0.000) 3.175 2.002 ( 0.000 4.516 0.000) 4.516 2.002 ( 0.000 4.516 0.000) 4.516 2.101 ( 0.000 -1.925 0.000) 1.925 2.101 ( 0.000 -1.925 0.000) 1.925 2.183 ( 0.000 -3.451 -0.000) 3.451 2.183 ( -0.000 -3.451 0.000) 3.451 2.240 ( 0.000 0.224 -0.000) 0.224 2.240 ( 0.000 0.224 0.000) 0.224 2.319 ( -0.000 5.292 -0.000) 5.292 2.319 ( 0.000 5.292 0.000) 5.292 2.348 ( 0.000 6.931 0.000) 6.931 2.348 ( 0.000 6.931 0.000) 6.931 2.448 ( 0.000 -2.085 0.000) 2.085 2.448 ( 0.000 -2.085 0.000) 2.085 2.498 ( 0.000 2.816 0.000) 2.816 2.498 ( 0.000 2.816 0.000) 2.816 2.605 ( 0.000 0.871 0.000) 0.871 2.605 ( 0.000 0.871 0.000) 0.871 2.646 ( 0.000 -3.388 -0.000) 3.388 2.646 ( -0.000 -3.388 0.000) 3.388 2.881 ( 0.000 1.402 0.000) 1.402 2.881 ( -0.000 1.402 0.000) 1.402 2.912 ( -0.000 0.464 0.000) 0.464 2.912 ( 0.000 0.464 0.000) 0.464 2.947 ( 0.000 1.170 -0.000) 1.170 2.947 ( -0.000 1.170 0.000) 1.170 2.964 ( 0.000 0.741 -0.000) 0.741 2.964 ( 0.000 0.741 0.000) 0.741 3.057 ( 0.000 -0.935 0.000) 0.935 3.057 ( 0.000 -0.935 0.000) 0.935 3.106 ( -0.000 -1.177 0.000) 1.177 3.106 ( 0.000 -1.177 0.000) 1.177 3.502 ( 0.000 5.310 0.000) 5.310 3.502 ( -0.000 5.310 0.000) 5.310 3.527 ( 0.000 4.495 0.000) 4.495 3.527 ( 0.000 4.495 0.000) 4.495 3.921 ( 0.000 -2.330 -0.000) 2.330 3.921 ( 0.000 -2.330 0.000) 2.330 3.937 ( -0.000 -2.386 -0.000) 2.386 3.937 ( -0.000 -2.386 0.000) 2.386 4.557 ( 0.000 -1.232 0.000) 1.232 4.557 ( 0.000 -1.232 0.000) 1.232 4.578 ( 0.000 -1.666 0.000) 1.666 4.578 ( 0.000 -1.666 0.000) 1.666 4.896 ( 0.000 -1.020 0.000) 1.020 4.896 ( 0.000 -1.020 0.000) 1.020 4.925 ( 0.000 -1.774 0.000) 1.774 4.925 ( 0.000 -1.774 0.000) 1.774======================= Grid point 180 (58/63) =======================q-point: ( 0.00 0.42 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 54Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.041 ( 0.000 5.805 -2.257) 6.229 1.041 ( 0.000 5.805 2.257) 6.229 1.210 ( 0.000 -0.070 -4.607) 4.608 1.210 ( 0.000 -0.070 4.607) 4.608 1.256 ( 0.000 5.511 -3.751) 6.666 1.256 ( 0.000 5.511 3.751) 6.666 1.349 ( 0.000 -2.739 -0.955) 2.901 1.349 ( 0.000 -2.739 0.955) 2.901 1.400 ( 0.000 4.285 -0.486) 4.313 1.400 ( 0.000 4.285 0.486) 4.313 1.479 ( 0.000 1.801 -0.710) 1.936 1.479 ( 0.000 1.801 0.710) 1.936 1.537 ( 0.000 4.992 -1.242) 5.145 1.537 ( 0.000 4.992 1.242) 5.145 1.659 ( 0.000 -1.939 -0.008) 1.939 1.659 ( 0.000 -1.939 0.008) 1.939 1.678 ( 0.000 -4.658 -2.014) 5.075 1.678 ( 0.000 -4.658 2.014) 5.075 1.836 ( 0.000 -0.649 -1.364) 1.510 1.836 ( 0.000 -0.649 1.364) 1.510 1.871 ( 0.000 3.683 -2.284) 4.334 1.871 ( 0.000 3.683 2.284) 4.334 1.932 ( 0.000 8.369 -2.541) 8.746 1.932 ( 0.000 8.369 2.541) 8.746 1.989 ( 0.000 0.470 -2.262) 2.310 1.989 ( 0.000 0.470 2.262) 2.310 2.138 ( 0.000 -3.348 -6.079) 6.940 2.138 ( 0.000 -3.348 6.079) 6.940 2.165 ( 0.000 -0.417 -2.176) 2.216 2.165 ( 0.000 -0.417 2.176) 2.216 2.195 ( 0.000 -1.030 -3.257) 3.416 2.195 ( 0.000 -1.030 3.257) 3.416 2.295 ( 0.000 -1.444 -2.363) 2.769 2.295 ( 0.000 -1.444 2.363) 2.769 2.415 ( 0.000 0.291 -1.671) 1.696 2.415 ( 0.000 0.291 1.671) 1.696 2.455 ( 0.000 -4.208 -1.153) 4.363 2.455 ( 0.000 -4.208 1.153) 4.363 2.544 ( 0.000 3.035 -2.139) 3.713 2.544 ( 0.000 3.035 2.139) 3.713 2.679 ( 0.000 1.699 -0.044) 1.699 2.679 ( 0.000 1.699 0.044) 1.699 2.728 ( 0.000 5.386 -0.492) 5.408 2.728 ( 0.000 5.386 0.492) 5.408 2.799 ( 0.000 0.046 -1.352) 1.353 2.799 ( 0.000 0.046 1.352) 1.353 2.862 ( 0.000 -0.904 -1.906) 2.109 2.862 ( 0.000 -0.904 1.906) 2.109 2.915 ( 0.000 -0.080 -0.315) 0.325 2.915 ( 0.000 -0.080 0.315) 0.325 2.978 ( 0.000 -1.065 -0.309) 1.109 2.978 ( 0.000 -1.065 0.309) 1.109 3.064 ( 0.000 1.125 -1.240) 1.674 3.064 ( 0.000 1.125 1.240) 1.674 3.156 ( 0.000 0.746 -0.094) 0.752 3.156 ( 0.000 0.746 0.094) 0.752 3.600 ( 0.000 6.356 -0.876) 6.416 3.600 ( 0.000 6.356 0.876) 6.416 3.641 ( 0.000 5.503 -0.650) 5.541 3.641 ( 0.000 5.503 0.650) 5.541 3.835 ( 0.000 -4.118 -0.365) 4.135 3.835 ( 0.000 -4.118 0.365) 4.135 3.896 ( 0.000 -4.859 -1.448) 5.070 3.896 ( 0.000 -4.859 1.448) 5.070 4.521 ( 0.000 -0.742 -0.161) 0.760 4.521 ( 0.000 -0.742 0.161) 0.760 4.560 ( 0.000 -1.778 -0.327) 1.808 4.560 ( 0.000 -1.778 0.327) 1.808 4.872 ( 0.000 0.165 -0.228) 0.281 4.872 ( 0.000 0.165 0.228) 0.281 4.904 ( 0.000 -1.449 -0.192) 1.461 4.904 ( 0.000 -1.449 0.192) 1.461======================= Grid point 182 (59/63) =======================q-point: ( 0.25 0.42 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.071 ( 2.658 5.410 -2.822) 6.656 1.071 ( 2.658 5.410 2.822) 6.656 1.174 ( -2.508 3.934 -1.240) 4.827 1.174 ( -2.508 3.934 1.240) 4.827 1.270 ( 0.714 0.792 -1.454) 1.804 1.270 ( 0.714 0.792 1.454) 1.804 1.340 ( -1.052 -0.390 -2.729) 2.951 1.340 ( -1.052 -0.390 2.729) 2.951 1.392 ( -0.501 4.058 -3.029) 5.089 1.392 ( -0.501 4.058 3.029) 5.089 1.483 ( 1.796 1.684 -1.420) 2.842 1.483 ( 1.796 1.684 1.420) 2.842 1.583 ( -2.346 -3.100 -3.404) 5.167 1.583 ( -2.346 -3.100 3.404) 5.167 1.628 ( 5.661 3.068 -0.859) 6.496 1.628 ( 5.661 3.068 0.859) 6.496 1.745 ( 1.720 -0.860 -0.762) 2.068 1.745 ( 1.720 -0.860 0.762) 2.068 1.755 ( -3.750 3.967 -3.258) 6.357 1.755 ( -3.750 3.967 3.258) 6.357 1.860 ( -1.548 -0.481 -0.700) 1.765 1.860 ( -1.548 -0.481 0.700) 1.765 1.973 ( 0.750 5.158 -2.750) 5.893 1.973 ( 0.750 5.158 2.750) 5.893 2.027 ( 3.792 3.918 -2.121) 5.850 2.027 ( 3.792 3.918 2.121) 5.850 2.066 ( -4.673 -2.639 -5.208) 7.478 2.066 ( -4.673 -2.639 5.208) 7.478 2.148 ( -1.447 -2.629 -3.224) 4.404 2.148 ( -1.447 -2.629 3.224) 4.404 2.191 ( -1.129 -2.860 -1.760) 3.543 2.191 ( -1.129 -2.860 1.760) 3.543 2.324 ( 1.953 -2.220 -1.484) 3.308 2.324 ( 1.953 -2.220 1.484) 3.308 2.426 ( 0.952 0.369 -0.941) 1.388 2.426 ( 0.952 0.369 0.941) 1.388 2.463 ( 1.014 -4.095 -0.948) 4.324 2.463 ( 1.014 -4.095 0.948) 4.324 2.523 ( -1.694 4.543 -1.076) 4.967 2.523 ( -1.694 4.543 1.076) 4.967 2.660 ( -1.635 2.852 -1.950) 3.822 2.660 ( -1.635 2.852 1.950) 3.822 2.679 ( -2.773 4.282 -0.695) 5.148 2.679 ( -2.773 4.282 0.695) 5.148 2.861 ( 2.983 -0.897 -0.927) 3.250 2.861 ( 2.983 -0.897 0.927) 3.250 2.876 ( 1.372 -1.569 -1.688) 2.682 2.876 ( 1.372 -1.569 1.688) 2.682 2.932 ( 1.935 1.035 -0.960) 2.395 2.932 ( 1.935 1.035 0.960) 2.395 2.997 ( 1.825 -0.316 -0.797) 2.017 2.997 ( 1.825 -0.316 0.797) 2.017 3.048 ( -1.468 1.350 -0.782) 2.142 3.048 ( -1.468 1.350 0.782) 2.142 3.135 ( -2.159 0.318 -0.255) 2.198 3.135 ( -2.159 0.318 0.255) 2.198 3.607 ( 0.617 6.373 -0.839) 6.458 3.607 ( 0.617 6.373 0.839) 6.458 3.637 ( -0.420 5.670 -0.683) 5.727 3.637 ( -0.420 5.670 0.683) 5.727 3.842 ( 0.664 -4.250 -0.492) 4.330 3.842 ( 0.664 -4.250 0.492) 4.330 3.885 ( -1.033 -4.813 -1.229) 5.073 3.885 ( -1.033 -4.813 1.229) 5.073 4.526 ( 0.491 -0.835 -0.200) 0.989 4.526 ( 0.491 -0.835 0.200) 0.989 4.554 ( -0.507 -1.641 -0.288) 1.742 4.554 ( -0.507 -1.641 0.288) 1.742 4.877 ( 0.430 -0.065 -0.217) 0.486 4.877 ( 0.430 -0.065 0.217) 0.486 4.901 ( -0.259 -1.306 -0.192) 1.346 4.901 ( -0.259 -1.306 0.192) 1.346======================= Grid point 184 (60/63) =======================q-point: (-0.50 0.42 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 54Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.115 ( 0.000 6.588 -0.000) 6.588 1.115 ( 0.000 6.588 0.000) 6.588 1.134 ( -0.000 4.173 0.000) 4.173 1.134 ( 0.000 4.173 0.000) 4.173 1.284 ( 0.000 1.151 0.000) 1.151 1.284 ( -0.000 1.151 0.000) 1.151 1.312 ( 0.000 -1.962 -0.000) 1.962 1.312 ( 0.000 -1.962 0.000) 1.962 1.409 ( 0.000 1.531 0.000) 1.531 1.409 ( 0.000 1.531 0.000) 1.531 1.477 ( -0.000 0.302 0.000) 0.302 1.477 ( -0.000 0.302 0.000) 0.302 1.609 ( -0.000 5.460 0.000) 5.460 1.609 ( 0.000 5.460 0.000) 5.460 1.630 ( 0.000 0.792 0.000) 0.792 1.630 ( 0.000 0.792 -0.000) 0.792 1.747 ( -0.000 1.225 -0.000) 1.225 1.747 ( 0.000 1.225 0.000) 1.225 1.801 ( 0.000 1.334 0.000) 1.334 1.801 ( 0.000 1.334 0.000) 1.334 1.820 ( -0.000 -1.168 -0.000) 1.168 1.820 ( -0.000 -1.168 0.000) 1.168 1.926 ( 0.000 4.610 -0.000) 4.610 1.926 ( 0.000 4.610 0.000) 4.610 2.041 ( 0.000 -2.126 0.000) 2.126 2.041 ( 0.000 -2.126 0.000) 2.126 2.097 ( -0.000 3.869 -0.000) 3.869 2.097 ( 0.000 3.869 0.000) 3.869 2.113 ( -0.000 -3.192 0.000) 3.192 2.113 ( 0.000 -3.192 0.000) 3.192 2.171 ( 0.000 -4.061 -0.000) 4.061 2.171 ( 0.000 -4.061 0.000) 4.061 2.344 ( -0.000 -3.930 0.000) 3.930 2.344 ( -0.000 -3.930 0.000) 3.930 2.439 ( -0.000 -1.224 0.000) 1.224 2.439 ( -0.000 -1.224 0.000) 1.224 2.478 ( 0.000 4.218 0.000) 4.218 2.478 ( 0.000 4.218 0.000) 4.218 2.503 ( 0.000 -0.510 0.000) 0.510 2.503 ( -0.000 -0.510 0.000) 0.510 2.640 ( 0.000 4.132 -0.000) 4.132 2.640 ( 0.000 4.132 0.000) 4.132 2.647 ( 0.000 3.741 -0.000) 3.741 2.647 ( 0.000 3.741 0.000) 3.741 2.882 ( 0.000 -1.703 -0.000) 1.703 2.882 ( 0.000 -1.703 -0.000) 1.703 2.894 ( 0.000 -2.400 0.000) 2.400 2.894 ( 0.000 -2.400 0.000) 2.400 2.981 ( -0.000 2.069 -0.000) 2.069 2.981 ( -0.000 2.069 0.000) 2.069 2.991 ( 0.000 1.904 -0.000) 1.904 2.991 ( 0.000 1.904 0.000) 1.904 3.056 ( -0.000 0.534 0.000) 0.534 3.056 ( 0.000 0.534 0.000) 0.534 3.091 ( -0.000 -0.659 0.000) 0.659 3.091 ( 0.000 -0.659 0.000) 0.659 3.617 ( 0.000 6.435 0.000) 6.435 3.617 ( -0.000 6.435 0.000) 6.435 3.629 ( -0.000 5.796 -0.000) 5.796 3.629 ( 0.000 5.796 0.000) 5.796 3.856 ( 0.000 -4.360 -0.000) 4.360 3.856 ( 0.000 -4.360 0.000) 4.360 3.866 ( -0.000 -4.792 -0.000) 4.792 3.866 ( -0.000 -4.792 0.000) 4.792 4.534 ( 0.000 -0.924 0.000) 0.924 4.534 ( 0.000 -0.924 0.000) 0.924 4.546 ( 0.000 -1.510 0.000) 1.510 4.546 ( 0.000 -1.510 0.000) 1.510 4.883 ( 0.000 -0.361 0.000) 0.361 4.883 ( 0.000 -0.361 0.000) 0.361 4.897 ( 0.000 -1.095 0.000) 1.095 4.897 ( 0.000 -1.095 0.000) 1.095======================= Grid point 190 (61/63) =======================q-point: ( 0.00 -0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 33Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.123 ( 0.000 0.000 0.000) 0.000 1.123 ( 0.000 0.000 0.000) 0.000 1.174 ( 0.000 0.000 0.000) 0.000 1.174 ( 0.000 0.000 0.000) 0.000 1.279 ( 0.000 0.000 -0.000) 0.000 1.279 ( 0.000 0.000 0.000) 0.000 1.350 ( 0.000 0.000 0.000) 0.000 1.350 ( 0.000 0.000 0.000) 0.000 1.480 ( 0.000 0.000 -0.000) 0.000 1.480 ( 0.000 0.000 0.000) 0.000 1.527 ( 0.000 0.000 -0.000) 0.000 1.527 ( 0.000 0.000 0.000) 0.000 1.578 ( 0.000 0.000 -0.000) 0.000 1.578 ( 0.000 0.000 0.000) 0.000 1.611 ( 0.000 -0.000 -0.000) 0.000 1.611 ( 0.000 -0.000 0.000) 0.000 1.619 ( 0.000 0.000 -0.000) 0.000 1.619 ( 0.000 0.000 0.000) 0.000 1.816 ( 0.000 0.000 -0.000) 0.000 1.816 ( 0.000 0.000 0.000) 0.000 1.918 ( 0.000 0.000 -0.000) 0.000 1.918 ( 0.000 0.000 0.000) 0.000 1.990 ( 0.000 0.000 -0.000) 0.000 1.990 ( 0.000 0.000 0.000) 0.000 2.039 ( 0.000 0.000 0.000) 0.000 2.039 ( 0.000 0.000 0.000) 0.000 2.102 ( 0.000 0.000 -0.000) 0.000 2.102 ( 0.000 0.000 0.000) 0.000 2.168 ( 0.000 0.000 0.000) 0.000 2.168 ( 0.000 0.000 0.000) 0.000 2.189 ( 0.000 0.000 -0.000) 0.000 2.189 ( 0.000 0.000 0.000) 0.000 2.258 ( 0.000 0.000 0.000) 0.000 2.258 ( 0.000 0.000 0.000) 0.000 2.372 ( 0.000 0.000 -0.000) 0.000 2.372 ( 0.000 0.000 0.000) 0.000 2.406 ( 0.000 0.000 -0.000) 0.000 2.406 ( 0.000 0.000 0.000) 0.000 2.627 ( 0.000 0.000 -0.000) 0.000 2.627 ( 0.000 0.000 0.000) 0.000 2.729 ( 0.000 0.000 -0.000) 0.000 2.729 ( 0.000 0.000 0.000) 0.000 2.733 ( 0.000 -0.000 -0.000) 0.000 2.733 ( 0.000 -0.000 0.000) 0.000 2.805 ( 0.000 0.000 0.000) 0.000 2.805 ( 0.000 0.000 0.000) 0.000 2.855 ( 0.000 0.000 0.000) 0.000 2.855 ( 0.000 0.000 0.000) 0.000 2.914 ( 0.000 0.000 0.000) 0.000 2.914 ( 0.000 0.000 0.000) 0.000 2.959 ( 0.000 0.000 -0.000) 0.000 2.959 ( 0.000 0.000 0.000) 0.000 3.080 ( 0.000 0.000 -0.000) 0.000 3.080 ( 0.000 0.000 0.000) 0.000 3.164 ( 0.000 0.000 0.000) 0.000 3.164 ( 0.000 0.000 0.000) 0.000 3.695 ( 0.000 0.000 -0.000) 0.000 3.695 ( 0.000 0.000 0.000) 0.000 3.735 ( 0.000 0.000 -0.000) 0.000 3.735 ( 0.000 0.000 0.000) 0.000 3.746 ( 0.000 -0.000 -0.000) 0.000 3.746 ( 0.000 -0.000 0.000) 0.000 3.825 ( 0.000 0.000 -0.000) 0.000 3.825 ( 0.000 0.000 0.000) 0.000 4.513 ( 0.000 0.000 0.000) 0.000 4.513 ( 0.000 0.000 0.000) 0.000 4.541 ( 0.000 0.000 0.000) 0.000 4.541 ( 0.000 0.000 0.000) 0.000 4.882 ( 0.000 0.000 0.000) 0.000 4.882 ( 0.000 0.000 0.000) 0.000 4.882 ( 0.000 -0.000 0.000) 0.000 4.882 ( 0.000 -0.000 0.000) 0.000======================= Grid point 194 (62/63) =======================q-point: ( 0.25 -0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 42Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.143 ( 1.965 0.000 -0.000) 1.965 1.143 ( 1.965 0.000 0.000) 1.965 1.192 ( 1.812 0.000 -0.000) 1.812 1.192 ( 1.812 0.000 0.000) 1.812 1.265 ( -1.456 0.000 0.000) 1.456 1.265 ( -1.456 0.000 0.000) 1.456 1.356 ( -0.297 0.000 -0.000) 0.297 1.356 ( -0.297 0.000 0.000) 0.297 1.448 ( -5.058 0.000 -0.000) 5.058 1.448 ( -5.058 0.000 0.000) 5.058 1.483 ( -2.963 0.000 -0.000) 2.963 1.483 ( -2.963 0.000 0.000) 2.963 1.555 ( 5.482 0.000 -0.000) 5.482 1.555 ( 5.482 0.000 0.000) 5.482 1.649 ( 2.443 0.000 -0.000) 2.443 1.649 ( 2.443 0.000 0.000) 2.443 1.730 ( 6.884 0.000 -0.000) 6.884 1.730 ( 6.884 0.000 0.000) 6.884 1.820 ( -1.852 0.000 -0.000) 1.852 1.820 ( -1.852 0.000 0.000) 1.852 1.849 ( -4.648 -0.000 -0.000) 4.648 1.849 ( -4.648 0.000 0.000) 4.648 1.998 ( 0.248 0.000 -0.000) 0.248 1.998 ( 0.248 0.000 0.000) 0.248 2.069 ( 1.595 0.000 -0.000) 1.595 2.069 ( 1.595 0.000 0.000) 1.595 2.075 ( -2.784 0.000 -0.000) 2.784 2.075 ( -2.784 0.000 0.000) 2.784 2.118 ( -2.658 0.000 -0.000) 2.658 2.118 ( -2.658 0.000 0.000) 2.658 2.168 ( -2.096 0.000 -0.000) 2.096 2.168 ( -2.096 0.000 0.000) 2.096 2.290 ( 2.852 0.000 -0.000) 2.852 2.290 ( 2.852 0.000 0.000) 2.852 2.369 ( -0.483 0.000 -0.000) 0.483 2.369 ( -0.483 0.000 0.000) 0.483 2.438 ( 3.092 0.000 -0.000) 3.092 2.438 ( 3.092 0.000 0.000) 3.092 2.589 ( -3.367 0.000 -0.000) 3.367 2.589 ( -3.367 0.000 0.000) 3.367 2.717 ( -0.822 0.000 -0.000) 0.822 2.717 ( -0.822 0.000 0.000) 0.822 2.725 ( -1.012 0.000 -0.000) 1.012 2.725 ( -1.012 0.000 0.000) 1.012 2.832 ( 1.747 0.000 -0.000) 1.747 2.832 ( 1.747 0.000 0.000) 1.747 2.846 ( -0.011 0.000 -0.000) 0.011 2.846 ( -0.011 0.000 0.000) 0.011 2.955 ( 3.062 0.000 0.000) 3.062 2.955 ( 3.062 0.000 0.000) 3.062 2.986 ( 2.746 0.000 -0.000) 2.746 2.986 ( 2.746 0.000 0.000) 2.746 3.065 ( -1.349 0.000 -0.000) 1.349 3.065 ( -1.349 0.000 0.000) 1.349 3.138 ( -2.590 0.000 0.000) 2.590 3.138 ( -2.590 0.000 0.000) 2.590 3.703 ( 0.750 0.000 0.000) 0.750 3.703 ( 0.750 0.000 0.000) 0.750 3.731 ( -0.443 0.000 -0.000) 0.443 3.731 ( -0.443 0.000 0.000) 0.443 3.755 ( 0.923 -0.000 -0.000) 0.923 3.755 ( 0.923 -0.000 0.000) 0.923 3.811 ( -1.339 0.000 -0.000) 1.339 3.811 ( -1.339 0.000 0.000) 1.339 4.517 ( 0.422 0.000 0.000) 0.422 4.517 ( 0.422 0.000 0.000) 0.422 4.537 ( -0.399 0.000 0.000) 0.399 4.537 ( -0.399 0.000 0.000) 0.399 4.882 ( 0.057 0.000 0.000) 0.057 4.882 ( 0.057 0.000 0.000) 0.057 4.882 ( 0.048 -0.000 0.000) 0.048 4.882 ( 0.048 -0.000 0.000) 0.048======================= Grid point 198 (63/63) =======================q-point: (-0.50 -0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 32Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.191 ( -2.347 -0.177 0.000) 2.354 1.191 ( -2.347 -0.177 0.000) 2.354 1.191 ( 2.347 0.177 0.000) 2.354 1.191 ( 2.347 0.177 0.000) 2.354 1.288 ( -4.593 -0.064 0.000) 4.593 1.288 ( -4.593 -0.064 0.000) 4.593 1.288 ( 4.593 0.064 -0.000) 4.593 1.288 ( 4.593 0.064 0.000) 4.593 1.432 ( -0.821 -1.963 0.000) 2.128 1.432 ( -0.821 -1.963 0.000) 2.128 1.432 ( 0.821 1.963 0.000) 2.128 1.432 ( 0.821 1.963 0.000) 2.128 1.681 ( -2.878 -0.470 0.000) 2.917 1.681 ( -2.878 -0.470 0.000) 2.917 1.681 ( 2.878 0.470 0.000) 2.917 1.681 ( 2.878 0.470 0.000) 2.917 1.750 ( -0.137 -0.363 0.000) 0.388 1.750 ( -0.137 -0.363 0.000) 0.388 1.750 ( 0.137 0.363 0.000) 0.388 1.750 ( 0.137 0.363 0.000) 0.388 1.900 ( -4.846 -3.584 0.000) 6.028 1.900 ( -4.846 -3.584 0.000) 6.028 1.900 ( 4.846 3.584 0.000) 6.028 1.900 ( 4.846 3.584 0.000) 6.028 2.086 ( -0.004 -1.547 0.000) 1.547 2.086 ( -0.004 -1.547 -0.000) 1.547 2.086 ( 0.004 1.547 -0.000) 1.547 2.086 ( 0.004 1.547 0.000) 1.547 2.113 ( -0.791 -4.967 -0.000) 5.029 2.113 ( -0.791 -4.967 0.000) 5.029 2.113 ( 0.791 4.967 0.000) 5.029 2.113 ( 0.791 4.967 0.000) 5.029 2.344 ( -0.498 -4.795 0.000) 4.821 2.344 ( -0.498 -4.795 0.000) 4.821 2.344 ( 0.498 4.795 0.000) 4.821 2.344 ( 0.498 4.795 0.000) 4.821 2.513 ( -4.306 -0.000 -0.000) 4.306 2.513 ( -4.306 -0.000 0.000) 4.306 2.513 ( 4.306 0.000 -0.000) 4.306 2.513 ( 4.306 0.000 0.000) 4.306 2.709 ( -0.197 -0.001 -0.000) 0.197 2.709 ( -0.197 -0.001 0.000) 0.197 2.709 ( 0.197 0.001 -0.000) 0.197 2.709 ( 0.197 0.001 0.000) 0.197 2.849 ( -0.008 -0.344 0.000) 0.344 2.849 ( -0.008 -0.344 0.000) 0.344 2.849 ( 0.008 0.344 -0.000) 0.344 2.849 ( 0.008 0.344 0.000) 0.344 3.009 ( -1.933 -0.169 0.000) 1.940 3.009 ( -1.933 -0.169 0.000) 1.940 3.009 ( 1.933 0.169 -0.000) 1.940 3.009 ( 1.933 0.169 0.000) 1.940 3.073 ( -2.958 -0.629 0.000) 3.024 3.073 ( -2.958 -0.629 0.000) 3.024 3.073 ( 2.958 0.629 -0.000) 3.024 3.073 ( 2.958 0.629 0.000) 3.024 3.719 ( -0.678 -0.126 0.000) 0.690 3.719 ( -0.678 -0.126 0.000) 0.690 3.719 ( 0.678 0.126 0.000) 0.690 3.719 ( 0.678 0.126 0.000) 0.690 3.780 ( -1.493 -0.143 -0.000) 1.500 3.780 ( -1.493 -0.143 0.000) 1.500 3.780 ( 1.493 0.143 -0.000) 1.500 3.780 ( 1.493 0.143 0.000) 1.500 4.527 ( -0.383 -0.225 0.000) 0.444 4.527 ( -0.383 -0.225 0.000) 0.444 4.527 ( 0.383 0.225 0.000) 0.444 4.527 ( 0.383 0.225 0.000) 0.444 4.883 ( -0.000 -0.372 0.000) 0.372 4.883 ( -0.000 -0.372 0.000) 0.372 4.883 ( 0.000 0.372 0.000) 0.372 4.883 ( 0.000 0.372 0.000) 0.372=================== 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 3/13824 10.0 68.167 72.748 57.597 0.000 0.000 -0.000 3/13824 20.0 10.386 15.218 8.883 0.000 0.000 -0.000 3/13824 30.0 4.416 7.001 3.741 0.000 0.000 -0.000 3/13824 40.0 2.722 4.408 2.270 0.000 0.000 -0.000 3/13824 50.0 1.969 3.214 1.623 0.000 0.000 -0.000 3/13824 60.0 1.548 2.538 1.266 0.000 0.000 -0.000 3/13824 70.0 1.280 2.104 1.041 0.000 0.000 -0.000 3/13824 80.0 1.094 1.800 0.885 0.000 0.000 -0.000 3/13824 90.0 0.956 1.576 0.772 0.000 0.000 -0.000 3/13824 100.0 0.851 1.403 0.685 0.000 0.000 -0.000 3/13824 110.0 0.766 1.265 0.616 0.000 0.000 -0.000 3/13824 120.0 0.698 1.153 0.560 0.000 0.000 -0.000 3/13824 130.0 0.641 1.059 0.514 0.000 0.000 -0.000 3/13824 140.0 0.593 0.979 0.475 0.000 0.000 -0.000 3/13824 150.0 0.551 0.911 0.441 0.000 0.000 -0.000 3/13824 160.0 0.515 0.852 0.412 0.000 0.000 -0.000 3/13824 170.0 0.484 0.801 0.387 0.000 0.000 -0.000 3/13824 180.0 0.456 0.755 0.365 0.000 0.000 -0.000 3/13824 190.0 0.432 0.714 0.345 0.000 0.000 -0.000 3/13824 200.0 0.409 0.678 0.327 0.000 0.000 -0.000 3/13824 210.0 0.389 0.645 0.311 0.000 0.000 -0.000 3/13824 220.0 0.371 0.615 0.296 0.000 0.000 -0.000 3/13824 230.0 0.355 0.588 0.283 0.000 0.000 -0.000 3/13824 240.0 0.340 0.563 0.271 0.000 0.000 -0.000 3/13824 250.0 0.326 0.540 0.260 0.000 0.000 -0.000 3/13824 260.0 0.313 0.519 0.250 0.000 0.000 -0.000 3/13824 270.0 0.302 0.499 0.241 0.000 0.000 -0.000 3/13824 280.0 0.291 0.481 0.232 0.000 0.000 -0.000 3/13824 290.0 0.281 0.465 0.224 0.000 0.000 -0.000 3/13824 300.0 0.271 0.449 0.216 0.000 0.000 -0.000 3/13824 310.0 0.262 0.434 0.209 0.000 0.000 -0.000 3/13824 320.0 0.254 0.421 0.202 0.000 0.000 -0.000 3/13824 330.0 0.246 0.408 0.196 0.000 0.000 -0.000 3/13824 340.0 0.239 0.396 0.190 0.000 0.000 -0.000 3/13824 350.0 0.232 0.384 0.185 0.000 0.000 -0.000 3/13824 360.0 0.226 0.374 0.180 0.000 0.000 -0.000 3/13824 370.0 0.219 0.364 0.175 0.000 0.000 -0.000 3/13824 380.0 0.214 0.354 0.170 0.000 0.000 -0.000 3/13824 390.0 0.208 0.345 0.166 0.000 0.000 -0.000 3/13824 400.0 0.203 0.336 0.162 0.000 0.000 -0.000 3/13824 410.0 0.198 0.328 0.158 0.000 0.000 -0.000 3/13824 420.0 0.193 0.320 0.154 0.000 0.000 -0.000 3/13824 430.0 0.189 0.313 0.150 0.000 0.000 -0.000 3/13824 440.0 0.184 0.305 0.147 0.000 0.000 -0.000 3/13824 450.0 0.180 0.299 0.144 0.000 0.000 -0.000 3/13824 460.0 0.176 0.292 0.140 0.000 0.000 -0.000 3/13824 470.0 0.173 0.286 0.137 0.000 0.000 -0.000 3/13824 480.0 0.169 0.280 0.135 0.000 0.000 -0.000 3/13824 490.0 0.165 0.274 0.132 0.000 0.000 -0.000 3/13824 500.0 0.162 0.269 0.129 0.000 0.000 -0.000 3/13824 510.0 0.159 0.263 0.127 0.000 0.000 -0.000 3/13824 520.0 0.156 0.258 0.124 0.000 0.000 -0.000 3/13824 530.0 0.153 0.253 0.122 0.000 0.000 -0.000 3/13824 540.0 0.150 0.249 0.120 0.000 0.000 -0.000 3/13824 550.0 0.147 0.244 0.117 0.000 0.000 -0.000 3/13824 560.0 0.145 0.240 0.115 0.000 0.000 -0.000 3/13824 570.0 0.142 0.236 0.113 0.000 0.000 -0.000 3/13824 580.0 0.140 0.232 0.111 0.000 0.000 -0.000 3/13824 590.0 0.137 0.228 0.109 0.000 0.000 -0.000 3/13824 600.0 0.135 0.224 0.108 0.000 0.000 -0.000 3/13824 610.0 0.133 0.220 0.106 0.000 0.000 -0.000 3/13824 620.0 0.131 0.217 0.104 0.000 0.000 -0.000 3/13824 630.0 0.129 0.213 0.102 0.000 0.000 -0.000 3/13824 640.0 0.127 0.210 0.101 0.000 0.000 -0.000 3/13824 650.0 0.125 0.207 0.099 0.000 0.000 -0.000 3/13824 660.0 0.123 0.203 0.098 0.000 0.000 -0.000 3/13824 670.0 0.121 0.200 0.096 0.000 0.000 -0.000 3/13824 680.0 0.119 0.197 0.095 0.000 0.000 -0.000 3/13824 690.0 0.117 0.195 0.093 0.000 0.000 -0.000 3/13824 700.0 0.116 0.192 0.092 0.000 0.000 -0.000 3/13824 710.0 0.114 0.189 0.091 0.000 0.000 -0.000 3/13824 720.0 0.113 0.186 0.090 0.000 0.000 -0.000 3/13824 730.0 0.111 0.184 0.088 0.000 0.000 -0.000 3/13824 740.0 0.109 0.181 0.087 0.000 0.000 -0.000 3/13824 750.0 0.108 0.179 0.086 0.000 0.000 -0.000 3/13824 760.0 0.107 0.177 0.085 0.000 0.000 -0.000 3/13824 770.0 0.105 0.174 0.084 0.000 0.000 -0.000 3/13824 780.0 0.104 0.172 0.083 0.000 0.000 -0.000 3/13824 790.0 0.103 0.170 0.082 0.000 0.000 -0.000 3/13824 800.0 0.101 0.168 0.081 0.000 0.000 -0.000 3/13824 810.0 0.100 0.166 0.080 0.000 0.000 -0.000 3/13824 820.0 0.099 0.164 0.079 0.000 0.000 -0.000 3/13824 830.0 0.098 0.162 0.078 0.000 0.000 -0.000 3/13824 840.0 0.096 0.160 0.077 0.000 0.000 -0.000 3/13824 850.0 0.095 0.158 0.076 0.000 0.000 -0.000 3/13824 860.0 0.094 0.156 0.075 0.000 0.000 -0.000 3/13824 870.0 0.093 0.154 0.074 0.000 0.000 -0.000 3/13824 880.0 0.092 0.153 0.073 0.000 0.000 -0.000 3/13824 890.0 0.091 0.151 0.072 0.000 0.000 -0.000 3/13824 900.0 0.090 0.149 0.072 0.000 0.000 -0.000 3/13824 910.0 0.089 0.148 0.071 0.000 0.000 -0.000 3/13824 920.0 0.088 0.146 0.070 0.000 0.000 -0.000 3/13824 930.0 0.087 0.144 0.069 0.000 0.000 -0.000 3/13824 940.0 0.086 0.143 0.069 0.000 0.000 -0.000 3/13824 950.0 0.085 0.141 0.068 0.000 0.000 -0.000 3/13824 960.0 0.084 0.140 0.067 0.000 0.000 -0.000 3/13824 970.0 0.084 0.138 0.066 0.000 0.000 -0.000 3/13824 980.0 0.083 0.137 0.066 0.000 0.000 -0.000 3/13824 990.0 0.082 0.136 0.065 0.000 0.000 -0.000 3/13824 1000.0 0.081 0.134 0.064 0.000 0.000 -0.000 3/13824Thermal conductivity related properties were written into "kappa-m4124.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 18:43:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|