# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/5f4efff5-8fae-4571-8622-39e593e0dd61/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 LiNdGeO4 / Pbcn (60) / materials id 556814](https://mdr.nims.go.jp/datasets/39782942-8fa7-4af8-855c-984f4394d051) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 13:00:48]-------------------------Compiled with OpenMP support (max 48 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: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pbcn (60)Number of symmetry operations in supercell: 32------------------------------ primitive cell ------------------------------Lattice vectors: a 5.099081170000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.822663349999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.379906139999999Atomic positions (fractional): *1 Li 0.50000000000000 0.73358567590440 0.25000000000000 6.941 2 Li 0.50000000000000 0.26641432409560 0.75000000000000 6.941 3 Li 0.00000000000000 0.76641432409560 0.75000000000000 6.941 4 Li 0.00000000000000 0.23358567590440 0.25000000000000 6.941 *5 Nd 0.50000000000000 0.38605769693574 0.25000000000000 144.242 6 Nd 0.50000000000000 0.61394230306426 0.75000000000000 144.242 7 Nd 0.00000000000000 0.88605769693574 0.25000000000000 144.242 8 Nd 0.00000000000000 0.11394230306426 0.75000000000000 144.242 *9 Ge 0.50000000000000 0.89093123592079 0.75000000000000 72.640 10 Ge 0.50000000000000 0.10906876407921 0.25000000000000 72.640 11 Ge 0.00000000000000 0.39093123592079 0.75000000000000 72.640 12 Ge 0.00000000000000 0.60906876407921 0.25000000000000 72.640 *13 O 0.25001675189326 0.95863345964016 0.58165340368941 15.999 14 O 0.24998324810674 0.45863345964016 0.58165340368941 15.999 *15 O 0.67745579523708 0.79690158044231 0.54766749430860 15.999 16 O 0.67745579523708 0.20309841955769 0.04766749430860 15.999 17 O 0.82254420476292 0.70309841955769 0.04766749430860 15.999 18 O 0.32254420476292 0.20309841955769 0.45233250569140 15.999 19 O 0.32254420476292 0.79690158044231 0.95233250569140 15.999 20 O 0.75001675189326 0.45863345964016 0.91834659631059 15.999 21 O 0.82254420476292 0.29690158044231 0.54766749430860 15.999 22 O 0.24998324810674 0.54136654035984 0.08165340368941 15.999 23 O 0.25001675189326 0.04136654035984 0.08165340368941 15.999 24 O 0.17745579523708 0.29690158044231 0.95233250569140 15.999 25 O 0.74998324810674 0.95863345964016 0.91834659631059 15.999 26 O 0.74998324810674 0.04136654035984 0.41834659631059 15.999 27 O 0.75001675189326 0.54136654035984 0.41834659631059 15.999 28 O 0.17745579523708 0.70309841955769 0.45233250569140 15.999-------------------------------- unit cell ---------------------------------Lattice vectors: a 5.099081170000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.822663349999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.379906139999999Atomic positions (fractional): *1 Li 0.50000000000000 0.73358567590440 0.25000000000000 6.941 > 1 2 Li 0.50000000000000 0.26641432409560 0.75000000000000 6.941 > 2 3 Li 0.00000000000000 0.76641432409560 0.75000000000000 6.941 > 3 4 Li 0.00000000000000 0.23358567590440 0.25000000000000 6.941 > 4 *5 Nd 0.50000000000000 0.38605769693574 0.25000000000000 144.242 > 5 6 Nd 0.50000000000000 0.61394230306426 0.75000000000000 144.242 > 6 7 Nd 0.00000000000000 0.88605769693574 0.25000000000000 144.242 > 7 8 Nd 0.00000000000000 0.11394230306426 0.75000000000000 144.242 > 8 *9 Ge 0.50000000000000 0.89093123592079 0.75000000000000 72.640 > 9 10 Ge 0.50000000000000 0.10906876407921 0.25000000000000 72.640 > 10 11 Ge 0.00000000000000 0.39093123592079 0.75000000000000 72.640 > 11 12 Ge 0.00000000000000 0.60906876407921 0.25000000000000 72.640 > 12 *13 O 0.25001675189326 0.95863345964016 0.58165340368941 15.999 > 13 14 O 0.24998324810674 0.45863345964016 0.58165340368941 15.999 > 14 *15 O 0.67745579523708 0.79690158044231 0.54766749430860 15.999 > 15 16 O 0.67745579523708 0.20309841955769 0.04766749430860 15.999 > 16 17 O 0.82254420476292 0.70309841955769 0.04766749430860 15.999 > 17 18 O 0.32254420476292 0.20309841955769 0.45233250569140 15.999 > 18 19 O 0.32254420476292 0.79690158044231 0.95233250569140 15.999 > 19 20 O 0.75001675189326 0.45863345964016 0.91834659631059 15.999 > 20 21 O 0.82254420476292 0.29690158044231 0.54766749430860 15.999 > 21 22 O 0.24998324810674 0.54136654035984 0.08165340368941 15.999 > 22 23 O 0.25001675189326 0.04136654035984 0.08165340368941 15.999 > 23 24 O 0.17745579523708 0.29690158044231 0.95233250569140 15.999 > 24 25 O 0.74998324810674 0.95863345964016 0.91834659631059 15.999 > 25 26 O 0.74998324810674 0.04136654035984 0.41834659631059 15.999 > 26 27 O 0.75001675189326 0.54136654035984 0.41834659631059 15.999 > 27 28 O 0.17745579523708 0.70309841955769 0.45233250569140 15.999 > 28-------------------------------- super cell --------------------------------Lattice vectors: a 10.198162340000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.822663349999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.759812279999998Atomic positions (fractional): *1 Li 0.25000000000000 0.73358567590440 0.12500000000000 6.941 > 1 2 Li 0.75000000000000 0.73358567590440 0.12500000000000 6.941 > 1 3 Li 0.25000000000000 0.73358567590440 0.62500000000000 6.941 > 1 4 Li 0.75000000000000 0.73358567590440 0.62500000000000 6.941 > 1 5 Li 0.25000000000000 0.26641432409560 0.37500000000000 6.941 > 2 6 Li 0.75000000000000 0.26641432409560 0.37500000000000 6.941 > 2 7 Li 0.25000000000000 0.26641432409560 0.87500000000000 6.941 > 2 8 Li 0.75000000000000 0.26641432409560 0.87500000000000 6.941 > 2 9 Li 0.00000000000000 0.76641432409560 0.37500000000000 6.941 > 3 10 Li 0.50000000000000 0.76641432409560 0.37500000000000 6.941 > 3 11 Li 0.00000000000000 0.76641432409560 0.87500000000000 6.941 > 3 12 Li 0.50000000000000 0.76641432409560 0.87500000000000 6.941 > 3 13 Li 0.00000000000000 0.23358567590440 0.12500000000000 6.941 > 4 14 Li 0.50000000000000 0.23358567590440 0.12500000000000 6.941 > 4 15 Li 0.00000000000000 0.23358567590440 0.62500000000000 6.941 > 4 16 Li 0.50000000000000 0.23358567590440 0.62500000000000 6.941 > 4 *17 Nd 0.25000000000000 0.38605769693574 0.12500000000000 144.242 > 5 18 Nd 0.75000000000000 0.38605769693574 0.12500000000000 144.242 > 5 19 Nd 0.25000000000000 0.38605769693574 0.62500000000000 144.242 > 5 20 Nd 0.75000000000000 0.38605769693574 0.62500000000000 144.242 > 5 21 Nd 0.25000000000000 0.61394230306426 0.37500000000000 144.242 > 6 22 Nd 0.75000000000000 0.61394230306426 0.37500000000000 144.242 > 6 23 Nd 0.25000000000000 0.61394230306426 0.87500000000000 144.242 > 6 24 Nd 0.75000000000000 0.61394230306426 0.87500000000000 144.242 > 6 25 Nd 0.00000000000000 0.88605769693574 0.12500000000000 144.242 > 7 26 Nd 0.50000000000000 0.88605769693574 0.12500000000000 144.242 > 7 27 Nd 0.00000000000000 0.88605769693574 0.62500000000000 144.242 > 7 28 Nd 0.50000000000000 0.88605769693574 0.62500000000000 144.242 > 7 29 Nd 0.00000000000000 0.11394230306426 0.37500000000000 144.242 > 8 30 Nd 0.50000000000000 0.11394230306426 0.37500000000000 144.242 > 8 31 Nd 0.00000000000000 0.11394230306426 0.87500000000000 144.242 > 8 32 Nd 0.50000000000000 0.11394230306426 0.87500000000000 144.242 > 8 *33 Ge 0.25000000000000 0.89093123592079 0.37500000000000 72.640 > 9 34 Ge 0.75000000000000 0.89093123592079 0.37500000000000 72.640 > 9 35 Ge 0.25000000000000 0.89093123592079 0.87500000000000 72.640 > 9 36 Ge 0.75000000000000 0.89093123592079 0.87500000000000 72.640 > 9 37 Ge 0.25000000000000 0.10906876407921 0.12500000000000 72.640 > 10 38 Ge 0.75000000000000 0.10906876407921 0.12500000000000 72.640 > 10 39 Ge 0.25000000000000 0.10906876407921 0.62500000000000 72.640 > 10 40 Ge 0.75000000000000 0.10906876407921 0.62500000000000 72.640 > 10 41 Ge 0.00000000000000 0.39093123592079 0.37500000000000 72.640 > 11 42 Ge 0.50000000000000 0.39093123592079 0.37500000000000 72.640 > 11 43 Ge 0.00000000000000 0.39093123592079 0.87500000000000 72.640 > 11 44 Ge 0.50000000000000 0.39093123592079 0.87500000000000 72.640 > 11 45 Ge 0.00000000000000 0.60906876407921 0.12500000000000 72.640 > 12 46 Ge 0.50000000000000 0.60906876407921 0.12500000000000 72.640 > 12 47 Ge 0.00000000000000 0.60906876407921 0.62500000000000 72.640 > 12 48 Ge 0.50000000000000 0.60906876407921 0.62500000000000 72.640 > 12 *49 O 0.12500837594663 0.95863345964016 0.29082670184471 15.999 > 13 50 O 0.62500837594663 0.95863345964016 0.29082670184471 15.999 > 13 51 O 0.12500837594663 0.95863345964016 0.79082670184471 15.999 > 13 52 O 0.62500837594663 0.95863345964016 0.79082670184471 15.999 > 13 53 O 0.12499162405337 0.45863345964016 0.29082670184471 15.999 > 14 54 O 0.62499162405337 0.45863345964016 0.29082670184471 15.999 > 14 55 O 0.12499162405337 0.45863345964016 0.79082670184471 15.999 > 14 56 O 0.62499162405337 0.45863345964016 0.79082670184471 15.999 > 14 *57 O 0.33872789761854 0.79690158044231 0.27383374715430 15.999 > 15 58 O 0.83872789761854 0.79690158044231 0.27383374715430 15.999 > 15 59 O 0.33872789761854 0.79690158044231 0.77383374715430 15.999 > 15 60 O 0.83872789761854 0.79690158044231 0.77383374715430 15.999 > 15 61 O 0.33872789761854 0.20309841955769 0.02383374715430 15.999 > 16 62 O 0.83872789761854 0.20309841955769 0.02383374715430 15.999 > 16 63 O 0.33872789761854 0.20309841955769 0.52383374715430 15.999 > 16 64 O 0.83872789761854 0.20309841955769 0.52383374715430 15.999 > 16 65 O 0.41127210238146 0.70309841955769 0.02383374715430 15.999 > 17 66 O 0.91127210238146 0.70309841955769 0.02383374715430 15.999 > 17 67 O 0.41127210238146 0.70309841955769 0.52383374715430 15.999 > 17 68 O 0.91127210238146 0.70309841955769 0.52383374715430 15.999 > 17 69 O 0.16127210238146 0.20309841955769 0.22616625284570 15.999 > 18 70 O 0.66127210238146 0.20309841955769 0.22616625284570 15.999 > 18 71 O 0.16127210238146 0.20309841955769 0.72616625284570 15.999 > 18 72 O 0.66127210238146 0.20309841955769 0.72616625284570 15.999 > 18 73 O 0.16127210238146 0.79690158044231 0.47616625284570 15.999 > 19 74 O 0.66127210238146 0.79690158044231 0.47616625284570 15.999 > 19 75 O 0.16127210238146 0.79690158044231 0.97616625284570 15.999 > 19 76 O 0.66127210238146 0.79690158044231 0.97616625284570 15.999 > 19 77 O 0.37500837594663 0.45863345964016 0.45917329815529 15.999 > 20 78 O 0.87500837594663 0.45863345964016 0.45917329815529 15.999 > 20 79 O 0.37500837594663 0.45863345964016 0.95917329815529 15.999 > 20 80 O 0.87500837594663 0.45863345964016 0.95917329815529 15.999 > 20 81 O 0.41127210238146 0.29690158044231 0.27383374715430 15.999 > 21 82 O 0.91127210238146 0.29690158044231 0.27383374715430 15.999 > 21 83 O 0.41127210238146 0.29690158044231 0.77383374715430 15.999 > 21 84 O 0.91127210238146 0.29690158044231 0.77383374715430 15.999 > 21 85 O 0.12499162405337 0.54136654035984 0.04082670184471 15.999 > 22 86 O 0.62499162405337 0.54136654035984 0.04082670184471 15.999 > 22 87 O 0.12499162405337 0.54136654035984 0.54082670184471 15.999 > 22 88 O 0.62499162405337 0.54136654035984 0.54082670184471 15.999 > 22 89 O 0.12500837594663 0.04136654035984 0.04082670184471 15.999 > 23 90 O 0.62500837594663 0.04136654035984 0.04082670184471 15.999 > 23 91 O 0.12500837594663 0.04136654035984 0.54082670184471 15.999 > 23 92 O 0.62500837594663 0.04136654035984 0.54082670184471 15.999 > 23 93 O 0.08872789761854 0.29690158044231 0.47616625284570 15.999 > 24 94 O 0.58872789761854 0.29690158044231 0.47616625284570 15.999 > 24 95 O 0.08872789761854 0.29690158044231 0.97616625284570 15.999 > 24 96 O 0.58872789761854 0.29690158044231 0.97616625284570 15.999 > 24 97 O 0.37499162405337 0.95863345964016 0.45917329815529 15.999 > 25 98 O 0.87499162405337 0.95863345964016 0.45917329815529 15.999 > 25 99 O 0.37499162405337 0.95863345964016 0.95917329815529 15.999 > 25 100 O 0.87499162405337 0.95863345964016 0.95917329815529 15.999 > 25 101 O 0.37499162405337 0.04136654035984 0.20917329815529 15.999 > 26 102 O 0.87499162405337 0.04136654035984 0.20917329815529 15.999 > 26 103 O 0.37499162405337 0.04136654035984 0.70917329815529 15.999 > 26 104 O 0.87499162405337 0.04136654035984 0.70917329815529 15.999 > 26 105 O 0.37500837594663 0.54136654035984 0.20917329815529 15.999 > 27 106 O 0.87500837594663 0.54136654035984 0.20917329815529 15.999 > 27 107 O 0.37500837594663 0.54136654035984 0.70917329815529 15.999 > 27 108 O 0.87500837594663 0.54136654035984 0.70917329815529 15.999 > 27 109 O 0.08872789761854 0.70309841955769 0.22616625284570 15.999 > 28 110 O 0.58872789761854 0.70309841955769 0.22616625284570 15.999 > 28 111 O 0.08872789761854 0.70309841955769 0.72616625284570 15.999 > 28 112 O 0.58872789761854 0.70309841955769 0.72616625284570 15.999 > 28----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 4.0060870 0.0000000 0.0000000 0.0000000 4.0420740 0.0000000 0.0000000 0.0000000 3.9943868-------------------------- Born effective charges -------------------------- 1 Li 1.0804052 0.0000000 -0.0802892 -0.0000000 0.9672961 -0.0000000 0.0972070 0.0000000 1.0747344 2 Li 1.0804052 0.0000000 -0.0802892 -0.0000000 0.9672961 -0.0000000 0.0972070 0.0000000 1.0747344 3 Li 1.0804052 0.0000000 0.0802892 -0.0000000 0.9672961 -0.0000000 -0.0972070 0.0000000 1.0747344 4 Li 1.0804052 0.0000000 0.0802892 -0.0000000 0.9672961 -0.0000000 -0.0972070 0.0000000 1.0747344 5 Nd 3.7995476 0.0000000 0.0316811 -0.0000000 4.1225381 -0.0000000 0.0400245 0.0000000 4.0817068 6 Nd 3.7995476 0.0000000 0.0316811 -0.0000000 4.1225381 -0.0000000 0.0400245 0.0000000 4.0817068 7 Nd 3.7995476 0.0000000 -0.0316811 -0.0000000 4.1225381 -0.0000000 -0.0400245 0.0000000 4.0817068 8 Nd 3.7995476 0.0000000 -0.0316811 -0.0000000 4.1225381 -0.0000000 -0.0400245 0.0000000 4.0817068 9 Ge 3.6880161 0.0000000 0.1991291 -0.0000000 3.3298133 -0.0000000 0.1469398 0.0000000 3.3929172 10 Ge 3.6880161 0.0000000 0.1991291 -0.0000000 3.3298133 -0.0000000 0.1469398 0.0000000 3.3929172 11 Ge 3.6880161 0.0000000 -0.1991291 -0.0000000 3.3298133 -0.0000000 -0.1469398 0.0000000 3.3929172 12 Ge 3.6880161 0.0000000 -0.1991291 -0.0000000 3.3298133 -0.0000000 -0.1469398 0.0000000 3.3929172 13 O -2.3162557 0.3068903 -0.4947633 0.4126610 -2.0578781 -0.0479349 -0.4939434 -0.1638914 -2.2077251 14 O -2.3162557 -0.3068903 0.4947633 -0.4126610 -2.0578781 -0.0479349 0.4939434 -0.1638914 -2.2077251 15 O -1.9677287 -0.1225337 0.5099948 -0.0613205 -2.1519457 -0.0241310 0.4788875 0.0090856 -2.0669542 16 O -1.9677287 0.1225337 0.5099948 0.0613205 -2.1519457 0.0241310 0.4788875 -0.0090856 -2.0669542 17 O -1.9677287 -0.1225337 -0.5099948 -0.0613205 -2.1519457 0.0241310 -0.4788875 -0.0090856 -2.0669542 18 O -1.9677287 -0.1225337 0.5099948 -0.0613205 -2.1519457 -0.0241310 0.4788875 0.0090856 -2.0669542 19 O -1.9677287 0.1225337 0.5099948 0.0613205 -2.1519457 0.0241310 0.4788875 -0.0090856 -2.0669542 20 O -2.3162557 0.3068903 0.4947633 0.4126610 -2.0578781 0.0479349 0.4939434 0.1638914 -2.2077251 21 O -1.9677287 0.1225337 -0.5099948 0.0613205 -2.1519457 -0.0241310 -0.4788875 0.0090856 -2.0669542 22 O -2.3162557 0.3068903 0.4947633 0.4126610 -2.0578781 0.0479349 0.4939434 0.1638914 -2.2077251 23 O -2.3162557 -0.3068903 -0.4947633 -0.4126610 -2.0578781 0.0479349 -0.4939434 0.1638914 -2.2077251 24 O -1.9677287 -0.1225337 -0.5099948 -0.0613205 -2.1519457 0.0241310 -0.4788875 -0.0090856 -2.0669542 25 O -2.3162557 -0.3068903 -0.4947633 -0.4126610 -2.0578781 0.0479349 -0.4939434 0.1638914 -2.2077251 26 O -2.3162557 0.3068903 -0.4947633 0.4126610 -2.0578781 -0.0479349 -0.4939434 -0.1638914 -2.2077251 27 O -2.3162557 -0.3068903 0.4947633 -0.4126610 -2.0578781 -0.0479349 0.4939434 -0.1638914 -2.2077251 28 O -1.9677287 0.1225337 -0.5099948 0.0613205 -2.1519457 -0.0241310 -0.4788875 0.0090856 -2.0669542----------------------------------------------------------------------------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: 336/336Permutation basis: 14448/14448Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1857Number of blocks in projector: 1857Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 410Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 374Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 374Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 233Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 233Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 233Use standard eigh solver.Tree of FC basis block matrices:- (1857, 1824), data: False|-- (233, 228), data: True|-- (233, 228), data: True|-- (233, 228), data: True|-- (374, 370), data: True|-- (374, 370), data: True|-- (410, 400), data: True-----Solver_atoms: 1 -- 112 / 112Time (Solver_compr_matrix_reshape): 0.003Solver_block: 100 / 480 - Time: 0.451Solver_block: 200 / 480 - Time: 0.405Solver_block: 300 / 480 - Time: 0.404Solver_block: 400 / 480 - Time: 0.401Solver_block: 480 / 480 - Time: 0.363Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.065--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 336/336Permutation basis: 14448/14448Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1857Number of blocks in projector: 1857Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 410Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 374Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 374Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 233Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 233Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 233Use standard eigh solver.Tree of FC basis block matrices:- (1857, 1824), data: False|-- (233, 228), data: True|-- (233, 228), data: True|-- (233, 228), data: True|-- (374, 370), data: True|-- (374, 370), data: True|-- (410, 400), data: TrueMax drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 13:01:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 13:01:08]-------------------------Compiled with OpenMP support (max 48 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): [2 1 2]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pbcn (60)------------------------------ primitive cell ------------------------------Lattice vectors: a 5.099081170000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.822663349999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.379906139999999Atomic positions (fractional): 1 Li 0.50000000000000 0.73358567590440 0.25000000000000 6.941 2 Li 0.50000000000000 0.26641432409560 0.75000000000000 6.941 3 Li 0.00000000000000 0.76641432409560 0.75000000000000 6.941 4 Li 0.00000000000000 0.23358567590440 0.25000000000000 6.941 5 Nd 0.50000000000000 0.38605769693574 0.25000000000000 144.242 6 Nd 0.50000000000000 0.61394230306426 0.75000000000000 144.242 7 Nd 0.00000000000000 0.88605769693574 0.25000000000000 144.242 8 Nd 0.00000000000000 0.11394230306426 0.75000000000000 144.242 9 Ge 0.50000000000000 0.89093123592079 0.75000000000000 72.640 10 Ge 0.50000000000000 0.10906876407921 0.25000000000000 72.640 11 Ge 0.00000000000000 0.39093123592079 0.75000000000000 72.640 12 Ge 0.00000000000000 0.60906876407921 0.25000000000000 72.640 13 O 0.25001675189326 0.95863345964016 0.58165340368941 15.999 14 O 0.24998324810674 0.45863345964016 0.58165340368941 15.999 15 O 0.67745579523708 0.79690158044231 0.54766749430860 15.999 16 O 0.67745579523708 0.20309841955769 0.04766749430860 15.999 17 O 0.82254420476292 0.70309841955769 0.04766749430860 15.999 18 O 0.32254420476292 0.20309841955769 0.45233250569140 15.999 19 O 0.32254420476292 0.79690158044231 0.95233250569140 15.999 20 O 0.75001675189326 0.45863345964016 0.91834659631059 15.999 21 O 0.82254420476292 0.29690158044231 0.54766749430860 15.999 22 O 0.24998324810674 0.54136654035984 0.08165340368941 15.999 23 O 0.25001675189326 0.04136654035984 0.08165340368941 15.999 24 O 0.17745579523708 0.29690158044231 0.95233250569140 15.999 25 O 0.74998324810674 0.95863345964016 0.91834659631059 15.999 26 O 0.74998324810674 0.04136654035984 0.41834659631059 15.999 27 O 0.75001675189326 0.54136654035984 0.41834659631059 15.999 28 O 0.17745579523708 0.70309841955769 0.45233250569140 15.999-------------------------------- supercell ---------------------------------Lattice vectors: a 10.198162340000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.822663349999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.759812279999998Atomic positions (fractional): 1 Li 0.25000000000000 0.73358567590440 0.12500000000000 6.941 > 1 2 Li 0.75000000000000 0.73358567590440 0.12500000000000 6.941 > 1 3 Li 0.25000000000000 0.73358567590440 0.62500000000000 6.941 > 1 4 Li 0.75000000000000 0.73358567590440 0.62500000000000 6.941 > 1 5 Li 0.25000000000000 0.26641432409560 0.37500000000000 6.941 > 5 6 Li 0.75000000000000 0.26641432409560 0.37500000000000 6.941 > 5 7 Li 0.25000000000000 0.26641432409560 0.87500000000000 6.941 > 5 8 Li 0.75000000000000 0.26641432409560 0.87500000000000 6.941 > 5 9 Li 0.00000000000000 0.76641432409560 0.37500000000000 6.941 > 9 10 Li 0.50000000000000 0.76641432409560 0.37500000000000 6.941 > 9 11 Li 0.00000000000000 0.76641432409560 0.87500000000000 6.941 > 9 12 Li 0.50000000000000 0.76641432409560 0.87500000000000 6.941 > 9 13 Li 0.00000000000000 0.23358567590440 0.12500000000000 6.941 > 13 14 Li 0.50000000000000 0.23358567590440 0.12500000000000 6.941 > 13 15 Li 0.00000000000000 0.23358567590440 0.62500000000000 6.941 > 13 16 Li 0.50000000000000 0.23358567590440 0.62500000000000 6.941 > 13 17 Nd 0.25000000000000 0.38605769693574 0.12500000000000 144.242 > 17 18 Nd 0.75000000000000 0.38605769693574 0.12500000000000 144.242 > 17 19 Nd 0.25000000000000 0.38605769693574 0.62500000000000 144.242 > 17 20 Nd 0.75000000000000 0.38605769693574 0.62500000000000 144.242 > 17 21 Nd 0.25000000000000 0.61394230306426 0.37500000000000 144.242 > 21 22 Nd 0.75000000000000 0.61394230306426 0.37500000000000 144.242 > 21 23 Nd 0.25000000000000 0.61394230306426 0.87500000000000 144.242 > 21 24 Nd 0.75000000000000 0.61394230306426 0.87500000000000 144.242 > 21 25 Nd 0.00000000000000 0.88605769693574 0.12500000000000 144.242 > 25 26 Nd 0.50000000000000 0.88605769693574 0.12500000000000 144.242 > 25 27 Nd 0.00000000000000 0.88605769693574 0.62500000000000 144.242 > 25 28 Nd 0.50000000000000 0.88605769693574 0.62500000000000 144.242 > 25 29 Nd 0.00000000000000 0.11394230306426 0.37500000000000 144.242 > 29 30 Nd 0.50000000000000 0.11394230306426 0.37500000000000 144.242 > 29 31 Nd 0.00000000000000 0.11394230306426 0.87500000000000 144.242 > 29 32 Nd 0.50000000000000 0.11394230306426 0.87500000000000 144.242 > 29 33 Ge 0.25000000000000 0.89093123592079 0.37500000000000 72.640 > 33 34 Ge 0.75000000000000 0.89093123592079 0.37500000000000 72.640 > 33 35 Ge 0.25000000000000 0.89093123592079 0.87500000000000 72.640 > 33 36 Ge 0.75000000000000 0.89093123592079 0.87500000000000 72.640 > 33 37 Ge 0.25000000000000 0.10906876407921 0.12500000000000 72.640 > 37 38 Ge 0.75000000000000 0.10906876407921 0.12500000000000 72.640 > 37 39 Ge 0.25000000000000 0.10906876407921 0.62500000000000 72.640 > 37 40 Ge 0.75000000000000 0.10906876407921 0.62500000000000 72.640 > 37 41 Ge 0.00000000000000 0.39093123592079 0.37500000000000 72.640 > 41 42 Ge 0.50000000000000 0.39093123592079 0.37500000000000 72.640 > 41 43 Ge 0.00000000000000 0.39093123592079 0.87500000000000 72.640 > 41 44 Ge 0.50000000000000 0.39093123592079 0.87500000000000 72.640 > 41 45 Ge 0.00000000000000 0.60906876407921 0.12500000000000 72.640 > 45 46 Ge 0.50000000000000 0.60906876407921 0.12500000000000 72.640 > 45 47 Ge 0.00000000000000 0.60906876407921 0.62500000000000 72.640 > 45 48 Ge 0.50000000000000 0.60906876407921 0.62500000000000 72.640 > 45 49 O 0.12500837594663 0.95863345964016 0.29082670184471 15.999 > 49 50 O 0.62500837594663 0.95863345964016 0.29082670184471 15.999 > 49 51 O 0.12500837594663 0.95863345964016 0.79082670184471 15.999 > 49 52 O 0.62500837594663 0.95863345964016 0.79082670184471 15.999 > 49 53 O 0.12499162405337 0.45863345964016 0.29082670184471 15.999 > 53 54 O 0.62499162405337 0.45863345964016 0.29082670184471 15.999 > 53 55 O 0.12499162405337 0.45863345964016 0.79082670184471 15.999 > 53 56 O 0.62499162405337 0.45863345964016 0.79082670184471 15.999 > 53 57 O 0.33872789761854 0.79690158044231 0.27383374715430 15.999 > 57 58 O 0.83872789761854 0.79690158044231 0.27383374715430 15.999 > 57 59 O 0.33872789761854 0.79690158044231 0.77383374715430 15.999 > 57 60 O 0.83872789761854 0.79690158044231 0.77383374715430 15.999 > 57 61 O 0.33872789761854 0.20309841955769 0.02383374715430 15.999 > 61 62 O 0.83872789761854 0.20309841955769 0.02383374715430 15.999 > 61 63 O 0.33872789761854 0.20309841955769 0.52383374715430 15.999 > 61 64 O 0.83872789761854 0.20309841955769 0.52383374715430 15.999 > 61 65 O 0.41127210238146 0.70309841955769 0.02383374715430 15.999 > 65 66 O 0.91127210238146 0.70309841955769 0.02383374715430 15.999 > 65 67 O 0.41127210238146 0.70309841955769 0.52383374715430 15.999 > 65 68 O 0.91127210238146 0.70309841955769 0.52383374715430 15.999 > 65 69 O 0.16127210238146 0.20309841955769 0.22616625284570 15.999 > 69 70 O 0.66127210238146 0.20309841955769 0.22616625284570 15.999 > 69 71 O 0.16127210238146 0.20309841955769 0.72616625284570 15.999 > 69 72 O 0.66127210238146 0.20309841955769 0.72616625284570 15.999 > 69 73 O 0.16127210238146 0.79690158044231 0.47616625284570 15.999 > 73 74 O 0.66127210238146 0.79690158044231 0.47616625284570 15.999 > 73 75 O 0.16127210238146 0.79690158044231 0.97616625284570 15.999 > 73 76 O 0.66127210238146 0.79690158044231 0.97616625284570 15.999 > 73 77 O 0.37500837594663 0.45863345964016 0.45917329815529 15.999 > 77 78 O 0.87500837594663 0.45863345964016 0.45917329815529 15.999 > 77 79 O 0.37500837594663 0.45863345964016 0.95917329815529 15.999 > 77 80 O 0.87500837594663 0.45863345964016 0.95917329815529 15.999 > 77 81 O 0.41127210238146 0.29690158044231 0.27383374715430 15.999 > 81 82 O 0.91127210238146 0.29690158044231 0.27383374715430 15.999 > 81 83 O 0.41127210238146 0.29690158044231 0.77383374715430 15.999 > 81 84 O 0.91127210238146 0.29690158044231 0.77383374715430 15.999 > 81 85 O 0.12499162405337 0.54136654035984 0.04082670184471 15.999 > 85 86 O 0.62499162405337 0.54136654035984 0.04082670184471 15.999 > 85 87 O 0.12499162405337 0.54136654035984 0.54082670184471 15.999 > 85 88 O 0.62499162405337 0.54136654035984 0.54082670184471 15.999 > 85 89 O 0.12500837594663 0.04136654035984 0.04082670184471 15.999 > 89 90 O 0.62500837594663 0.04136654035984 0.04082670184471 15.999 > 89 91 O 0.12500837594663 0.04136654035984 0.54082670184471 15.999 > 89 92 O 0.62500837594663 0.04136654035984 0.54082670184471 15.999 > 89 93 O 0.08872789761854 0.29690158044231 0.47616625284570 15.999 > 93 94 O 0.58872789761854 0.29690158044231 0.47616625284570 15.999 > 93 95 O 0.08872789761854 0.29690158044231 0.97616625284570 15.999 > 93 96 O 0.58872789761854 0.29690158044231 0.97616625284570 15.999 > 93 97 O 0.37499162405337 0.95863345964016 0.45917329815529 15.999 > 97 98 O 0.87499162405337 0.95863345964016 0.45917329815529 15.999 > 97 99 O 0.37499162405337 0.95863345964016 0.95917329815529 15.999 > 97 100 O 0.87499162405337 0.95863345964016 0.95917329815529 15.999 > 97 101 O 0.37499162405337 0.04136654035984 0.20917329815529 15.999 > 101 102 O 0.87499162405337 0.04136654035984 0.20917329815529 15.999 > 101 103 O 0.37499162405337 0.04136654035984 0.70917329815529 15.999 > 101 104 O 0.87499162405337 0.04136654035984 0.70917329815529 15.999 > 101 105 O 0.37500837594663 0.54136654035984 0.20917329815529 15.999 > 105 106 O 0.87500837594663 0.54136654035984 0.20917329815529 15.999 > 105 107 O 0.37500837594663 0.54136654035984 0.70917329815529 15.999 > 105 108 O 0.87500837594663 0.54136654035984 0.70917329815529 15.999 > 105 109 O 0.08872789761854 0.70309841955769 0.22616625284570 15.999 > 109 110 O 0.58872789761854 0.70309841955769 0.22616625284570 15.999 > 109 111 O 0.08872789761854 0.70309841955769 0.72616625284570 15.999 > 109 112 O 0.58872789761854 0.70309841955769 0.72616625284570 15.999 > 109----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 4.0060870 0.0000000 0.0000000 0.0000000 4.0420740 0.0000000 0.0000000 0.0000000 3.9943868-------------------------- Born effective charges -------------------------- 1 Li 1.0804052 0.0000000 -0.0802892 -0.0000000 0.9672961 -0.0000000 0.0972070 0.0000000 1.0747344 2 Li 1.0804052 0.0000000 -0.0802892 -0.0000000 0.9672961 -0.0000000 0.0972070 0.0000000 1.0747344 3 Li 1.0804052 0.0000000 0.0802892 -0.0000000 0.9672961 -0.0000000 -0.0972070 0.0000000 1.0747344 4 Li 1.0804052 0.0000000 0.0802892 -0.0000000 0.9672961 -0.0000000 -0.0972070 0.0000000 1.0747344 5 Nd 3.7995476 0.0000000 0.0316811 -0.0000000 4.1225381 -0.0000000 0.0400245 0.0000000 4.0817068 6 Nd 3.7995476 0.0000000 0.0316811 -0.0000000 4.1225381 -0.0000000 0.0400245 0.0000000 4.0817068 7 Nd 3.7995476 0.0000000 -0.0316811 -0.0000000 4.1225381 -0.0000000 -0.0400245 0.0000000 4.0817068 8 Nd 3.7995476 0.0000000 -0.0316811 -0.0000000 4.1225381 -0.0000000 -0.0400245 0.0000000 4.0817068 9 Ge 3.6880161 0.0000000 0.1991291 -0.0000000 3.3298133 -0.0000000 0.1469398 0.0000000 3.3929172 10 Ge 3.6880161 0.0000000 0.1991291 -0.0000000 3.3298133 -0.0000000 0.1469398 0.0000000 3.3929172 11 Ge 3.6880161 0.0000000 -0.1991291 -0.0000000 3.3298133 -0.0000000 -0.1469398 0.0000000 3.3929172 12 Ge 3.6880161 0.0000000 -0.1991291 -0.0000000 3.3298133 -0.0000000 -0.1469398 0.0000000 3.3929172 13 O -2.3162557 0.3068903 -0.4947633 0.4126610 -2.0578781 -0.0479349 -0.4939434 -0.1638914 -2.2077251 14 O -2.3162557 -0.3068903 0.4947633 -0.4126610 -2.0578781 -0.0479349 0.4939434 -0.1638914 -2.2077251 15 O -1.9677287 -0.1225337 0.5099948 -0.0613205 -2.1519457 -0.0241310 0.4788875 0.0090856 -2.0669542 16 O -1.9677287 0.1225337 0.5099948 0.0613205 -2.1519457 0.0241310 0.4788875 -0.0090856 -2.0669542 17 O -1.9677287 -0.1225337 -0.5099948 -0.0613205 -2.1519457 0.0241310 -0.4788875 -0.0090856 -2.0669542 18 O -1.9677287 -0.1225337 0.5099948 -0.0613205 -2.1519457 -0.0241310 0.4788875 0.0090856 -2.0669542 19 O -1.9677287 0.1225337 0.5099948 0.0613205 -2.1519457 0.0241310 0.4788875 -0.0090856 -2.0669542 20 O -2.3162557 0.3068903 0.4947633 0.4126610 -2.0578781 0.0479349 0.4939434 0.1638914 -2.2077251 21 O -1.9677287 0.1225337 -0.5099948 0.0613205 -2.1519457 -0.0241310 -0.4788875 0.0090856 -2.0669542 22 O -2.3162557 0.3068903 0.4947633 0.4126610 -2.0578781 0.0479349 0.4939434 0.1638914 -2.2077251 23 O -2.3162557 -0.3068903 -0.4947633 -0.4126610 -2.0578781 0.0479349 -0.4939434 0.1638914 -2.2077251 24 O -1.9677287 -0.1225337 -0.5099948 -0.0613205 -2.1519457 0.0241310 -0.4788875 -0.0090856 -2.0669542 25 O -2.3162557 -0.3068903 -0.4947633 -0.4126610 -2.0578781 0.0479349 -0.4939434 0.1638914 -2.2077251 26 O -2.3162557 0.3068903 -0.4947633 0.4126610 -2.0578781 -0.0479349 -0.4939434 -0.1638914 -2.2077251 27 O -2.3162557 -0.3068903 0.4947633 -0.4126610 -2.0578781 -0.0479349 0.4939434 -0.1638914 -2.2077251 28 O -1.9677287 0.1225337 -0.5099948 0.0613205 -2.1519457 -0.0241310 -0.4788875 0.0090856 -2.0669542----------------------------------------------------------------------------Sets of supercell forces were read from "FORCES_FC3.xz".Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".----------------------------- Force constants ------------------------------Computing fc3[ 1, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 17, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 33, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 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]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: 0.00000003 (xyx) 0.00000003 (xyx) 0.00000003 (xxy)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000002 (xz) 0.00000002 (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 13:01:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 13:01:26]-------------------------Compiled with OpenMP support (max 48 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): [2 1 2]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pbcn (60)------------------------------ primitive cell ------------------------------Lattice vectors: a 5.099081170000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.822663349999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.379906139999999Atomic positions (fractional): 1 Li 0.50000000000000 0.73358567590440 0.25000000000000 6.941 2 Li 0.50000000000000 0.26641432409560 0.75000000000000 6.941 3 Li 0.00000000000000 0.76641432409560 0.75000000000000 6.941 4 Li 0.00000000000000 0.23358567590440 0.25000000000000 6.941 5 Nd 0.50000000000000 0.38605769693574 0.25000000000000 144.242 6 Nd 0.50000000000000 0.61394230306426 0.75000000000000 144.242 7 Nd 0.00000000000000 0.88605769693574 0.25000000000000 144.242 8 Nd 0.00000000000000 0.11394230306426 0.75000000000000 144.242 9 Ge 0.50000000000000 0.89093123592079 0.75000000000000 72.640 10 Ge 0.50000000000000 0.10906876407921 0.25000000000000 72.640 11 Ge 0.00000000000000 0.39093123592079 0.75000000000000 72.640 12 Ge 0.00000000000000 0.60906876407921 0.25000000000000 72.640 13 O 0.25001675189326 0.95863345964016 0.58165340368941 15.999 14 O 0.24998324810674 0.45863345964016 0.58165340368941 15.999 15 O 0.67745579523708 0.79690158044231 0.54766749430860 15.999 16 O 0.67745579523708 0.20309841955769 0.04766749430860 15.999 17 O 0.82254420476292 0.70309841955769 0.04766749430860 15.999 18 O 0.32254420476292 0.20309841955769 0.45233250569140 15.999 19 O 0.32254420476292 0.79690158044231 0.95233250569140 15.999 20 O 0.75001675189326 0.45863345964016 0.91834659631059 15.999 21 O 0.82254420476292 0.29690158044231 0.54766749430860 15.999 22 O 0.24998324810674 0.54136654035984 0.08165340368941 15.999 23 O 0.25001675189326 0.04136654035984 0.08165340368941 15.999 24 O 0.17745579523708 0.29690158044231 0.95233250569140 15.999 25 O 0.74998324810674 0.95863345964016 0.91834659631059 15.999 26 O 0.74998324810674 0.04136654035984 0.41834659631059 15.999 27 O 0.75001675189326 0.54136654035984 0.41834659631059 15.999 28 O 0.17745579523708 0.70309841955769 0.45233250569140 15.999-------------------------------- supercell ---------------------------------Lattice vectors: a 10.198162340000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.822663349999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.759812279999998Atomic positions (fractional): 1 Li 0.25000000000000 0.73358567590440 0.12500000000000 6.941 > 1 2 Li 0.75000000000000 0.73358567590440 0.12500000000000 6.941 > 1 3 Li 0.25000000000000 0.73358567590440 0.62500000000000 6.941 > 1 4 Li 0.75000000000000 0.73358567590440 0.62500000000000 6.941 > 1 5 Li 0.25000000000000 0.26641432409560 0.37500000000000 6.941 > 5 6 Li 0.75000000000000 0.26641432409560 0.37500000000000 6.941 > 5 7 Li 0.25000000000000 0.26641432409560 0.87500000000000 6.941 > 5 8 Li 0.75000000000000 0.26641432409560 0.87500000000000 6.941 > 5 9 Li 0.00000000000000 0.76641432409560 0.37500000000000 6.941 > 9 10 Li 0.50000000000000 0.76641432409560 0.37500000000000 6.941 > 9 11 Li 0.00000000000000 0.76641432409560 0.87500000000000 6.941 > 9 12 Li 0.50000000000000 0.76641432409560 0.87500000000000 6.941 > 9 13 Li 0.00000000000000 0.23358567590440 0.12500000000000 6.941 > 13 14 Li 0.50000000000000 0.23358567590440 0.12500000000000 6.941 > 13 15 Li 0.00000000000000 0.23358567590440 0.62500000000000 6.941 > 13 16 Li 0.50000000000000 0.23358567590440 0.62500000000000 6.941 > 13 17 Nd 0.25000000000000 0.38605769693574 0.12500000000000 144.242 > 17 18 Nd 0.75000000000000 0.38605769693574 0.12500000000000 144.242 > 17 19 Nd 0.25000000000000 0.38605769693574 0.62500000000000 144.242 > 17 20 Nd 0.75000000000000 0.38605769693574 0.62500000000000 144.242 > 17 21 Nd 0.25000000000000 0.61394230306426 0.37500000000000 144.242 > 21 22 Nd 0.75000000000000 0.61394230306426 0.37500000000000 144.242 > 21 23 Nd 0.25000000000000 0.61394230306426 0.87500000000000 144.242 > 21 24 Nd 0.75000000000000 0.61394230306426 0.87500000000000 144.242 > 21 25 Nd 0.00000000000000 0.88605769693574 0.12500000000000 144.242 > 25 26 Nd 0.50000000000000 0.88605769693574 0.12500000000000 144.242 > 25 27 Nd 0.00000000000000 0.88605769693574 0.62500000000000 144.242 > 25 28 Nd 0.50000000000000 0.88605769693574 0.62500000000000 144.242 > 25 29 Nd 0.00000000000000 0.11394230306426 0.37500000000000 144.242 > 29 30 Nd 0.50000000000000 0.11394230306426 0.37500000000000 144.242 > 29 31 Nd 0.00000000000000 0.11394230306426 0.87500000000000 144.242 > 29 32 Nd 0.50000000000000 0.11394230306426 0.87500000000000 144.242 > 29 33 Ge 0.25000000000000 0.89093123592079 0.37500000000000 72.640 > 33 34 Ge 0.75000000000000 0.89093123592079 0.37500000000000 72.640 > 33 35 Ge 0.25000000000000 0.89093123592079 0.87500000000000 72.640 > 33 36 Ge 0.75000000000000 0.89093123592079 0.87500000000000 72.640 > 33 37 Ge 0.25000000000000 0.10906876407921 0.12500000000000 72.640 > 37 38 Ge 0.75000000000000 0.10906876407921 0.12500000000000 72.640 > 37 39 Ge 0.25000000000000 0.10906876407921 0.62500000000000 72.640 > 37 40 Ge 0.75000000000000 0.10906876407921 0.62500000000000 72.640 > 37 41 Ge 0.00000000000000 0.39093123592079 0.37500000000000 72.640 > 41 42 Ge 0.50000000000000 0.39093123592079 0.37500000000000 72.640 > 41 43 Ge 0.00000000000000 0.39093123592079 0.87500000000000 72.640 > 41 44 Ge 0.50000000000000 0.39093123592079 0.87500000000000 72.640 > 41 45 Ge 0.00000000000000 0.60906876407921 0.12500000000000 72.640 > 45 46 Ge 0.50000000000000 0.60906876407921 0.12500000000000 72.640 > 45 47 Ge 0.00000000000000 0.60906876407921 0.62500000000000 72.640 > 45 48 Ge 0.50000000000000 0.60906876407921 0.62500000000000 72.640 > 45 49 O 0.12500837594663 0.95863345964016 0.29082670184471 15.999 > 49 50 O 0.62500837594663 0.95863345964016 0.29082670184471 15.999 > 49 51 O 0.12500837594663 0.95863345964016 0.79082670184471 15.999 > 49 52 O 0.62500837594663 0.95863345964016 0.79082670184471 15.999 > 49 53 O 0.12499162405337 0.45863345964016 0.29082670184471 15.999 > 53 54 O 0.62499162405337 0.45863345964016 0.29082670184471 15.999 > 53 55 O 0.12499162405337 0.45863345964016 0.79082670184471 15.999 > 53 56 O 0.62499162405337 0.45863345964016 0.79082670184471 15.999 > 53 57 O 0.33872789761854 0.79690158044231 0.27383374715430 15.999 > 57 58 O 0.83872789761854 0.79690158044231 0.27383374715430 15.999 > 57 59 O 0.33872789761854 0.79690158044231 0.77383374715430 15.999 > 57 60 O 0.83872789761854 0.79690158044231 0.77383374715430 15.999 > 57 61 O 0.33872789761854 0.20309841955769 0.02383374715430 15.999 > 61 62 O 0.83872789761854 0.20309841955769 0.02383374715430 15.999 > 61 63 O 0.33872789761854 0.20309841955769 0.52383374715430 15.999 > 61 64 O 0.83872789761854 0.20309841955769 0.52383374715430 15.999 > 61 65 O 0.41127210238146 0.70309841955769 0.02383374715430 15.999 > 65 66 O 0.91127210238146 0.70309841955769 0.02383374715430 15.999 > 65 67 O 0.41127210238146 0.70309841955769 0.52383374715430 15.999 > 65 68 O 0.91127210238146 0.70309841955769 0.52383374715430 15.999 > 65 69 O 0.16127210238146 0.20309841955769 0.22616625284570 15.999 > 69 70 O 0.66127210238146 0.20309841955769 0.22616625284570 15.999 > 69 71 O 0.16127210238146 0.20309841955769 0.72616625284570 15.999 > 69 72 O 0.66127210238146 0.20309841955769 0.72616625284570 15.999 > 69 73 O 0.16127210238146 0.79690158044231 0.47616625284570 15.999 > 73 74 O 0.66127210238146 0.79690158044231 0.47616625284570 15.999 > 73 75 O 0.16127210238146 0.79690158044231 0.97616625284570 15.999 > 73 76 O 0.66127210238146 0.79690158044231 0.97616625284570 15.999 > 73 77 O 0.37500837594663 0.45863345964016 0.45917329815529 15.999 > 77 78 O 0.87500837594663 0.45863345964016 0.45917329815529 15.999 > 77 79 O 0.37500837594663 0.45863345964016 0.95917329815529 15.999 > 77 80 O 0.87500837594663 0.45863345964016 0.95917329815529 15.999 > 77 81 O 0.41127210238146 0.29690158044231 0.27383374715430 15.999 > 81 82 O 0.91127210238146 0.29690158044231 0.27383374715430 15.999 > 81 83 O 0.41127210238146 0.29690158044231 0.77383374715430 15.999 > 81 84 O 0.91127210238146 0.29690158044231 0.77383374715430 15.999 > 81 85 O 0.12499162405337 0.54136654035984 0.04082670184471 15.999 > 85 86 O 0.62499162405337 0.54136654035984 0.04082670184471 15.999 > 85 87 O 0.12499162405337 0.54136654035984 0.54082670184471 15.999 > 85 88 O 0.62499162405337 0.54136654035984 0.54082670184471 15.999 > 85 89 O 0.12500837594663 0.04136654035984 0.04082670184471 15.999 > 89 90 O 0.62500837594663 0.04136654035984 0.04082670184471 15.999 > 89 91 O 0.12500837594663 0.04136654035984 0.54082670184471 15.999 > 89 92 O 0.62500837594663 0.04136654035984 0.54082670184471 15.999 > 89 93 O 0.08872789761854 0.29690158044231 0.47616625284570 15.999 > 93 94 O 0.58872789761854 0.29690158044231 0.47616625284570 15.999 > 93 95 O 0.08872789761854 0.29690158044231 0.97616625284570 15.999 > 93 96 O 0.58872789761854 0.29690158044231 0.97616625284570 15.999 > 93 97 O 0.37499162405337 0.95863345964016 0.45917329815529 15.999 > 97 98 O 0.87499162405337 0.95863345964016 0.45917329815529 15.999 > 97 99 O 0.37499162405337 0.95863345964016 0.95917329815529 15.999 > 97 100 O 0.87499162405337 0.95863345964016 0.95917329815529 15.999 > 97 101 O 0.37499162405337 0.04136654035984 0.20917329815529 15.999 > 101 102 O 0.87499162405337 0.04136654035984 0.20917329815529 15.999 > 101 103 O 0.37499162405337 0.04136654035984 0.70917329815529 15.999 > 101 104 O 0.87499162405337 0.04136654035984 0.70917329815529 15.999 > 101 105 O 0.37500837594663 0.54136654035984 0.20917329815529 15.999 > 105 106 O 0.87500837594663 0.54136654035984 0.20917329815529 15.999 > 105 107 O 0.37500837594663 0.54136654035984 0.70917329815529 15.999 > 105 108 O 0.87500837594663 0.54136654035984 0.70917329815529 15.999 > 105 109 O 0.08872789761854 0.70309841955769 0.22616625284570 15.999 > 109 110 O 0.58872789761854 0.70309841955769 0.22616625284570 15.999 > 109 111 O 0.08872789761854 0.70309841955769 0.72616625284570 15.999 > 109 112 O 0.58872789761854 0.70309841955769 0.72616625284570 15.999 > 109----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 4.0060870 0.0000000 0.0000000 0.0000000 4.0420740 0.0000000 0.0000000 0.0000000 3.9943868-------------------------- Born effective charges -------------------------- 1 Li 1.0804052 0.0000000 -0.0802892 -0.0000000 0.9672961 -0.0000000 0.0972070 0.0000000 1.0747344 2 Li 1.0804052 0.0000000 -0.0802892 -0.0000000 0.9672961 -0.0000000 0.0972070 0.0000000 1.0747344 3 Li 1.0804052 0.0000000 0.0802892 -0.0000000 0.9672961 -0.0000000 -0.0972070 0.0000000 1.0747344 4 Li 1.0804052 0.0000000 0.0802892 -0.0000000 0.9672961 -0.0000000 -0.0972070 0.0000000 1.0747344 5 Nd 3.7995476 0.0000000 0.0316811 -0.0000000 4.1225381 -0.0000000 0.0400245 0.0000000 4.0817068 6 Nd 3.7995476 0.0000000 0.0316811 -0.0000000 4.1225381 -0.0000000 0.0400245 0.0000000 4.0817068 7 Nd 3.7995476 0.0000000 -0.0316811 -0.0000000 4.1225381 -0.0000000 -0.0400245 0.0000000 4.0817068 8 Nd 3.7995476 0.0000000 -0.0316811 -0.0000000 4.1225381 -0.0000000 -0.0400245 0.0000000 4.0817068 9 Ge 3.6880161 0.0000000 0.1991291 -0.0000000 3.3298133 -0.0000000 0.1469398 0.0000000 3.3929172 10 Ge 3.6880161 0.0000000 0.1991291 -0.0000000 3.3298133 -0.0000000 0.1469398 0.0000000 3.3929172 11 Ge 3.6880161 0.0000000 -0.1991291 -0.0000000 3.3298133 -0.0000000 -0.1469398 0.0000000 3.3929172 12 Ge 3.6880161 0.0000000 -0.1991291 -0.0000000 3.3298133 -0.0000000 -0.1469398 0.0000000 3.3929172 13 O -2.3162557 0.3068903 -0.4947633 0.4126610 -2.0578781 -0.0479349 -0.4939434 -0.1638914 -2.2077251 14 O -2.3162557 -0.3068903 0.4947633 -0.4126610 -2.0578781 -0.0479349 0.4939434 -0.1638914 -2.2077251 15 O -1.9677287 -0.1225337 0.5099948 -0.0613205 -2.1519457 -0.0241310 0.4788875 0.0090856 -2.0669542 16 O -1.9677287 0.1225337 0.5099948 0.0613205 -2.1519457 0.0241310 0.4788875 -0.0090856 -2.0669542 17 O -1.9677287 -0.1225337 -0.5099948 -0.0613205 -2.1519457 0.0241310 -0.4788875 -0.0090856 -2.0669542 18 O -1.9677287 -0.1225337 0.5099948 -0.0613205 -2.1519457 -0.0241310 0.4788875 0.0090856 -2.0669542 19 O -1.9677287 0.1225337 0.5099948 0.0613205 -2.1519457 0.0241310 0.4788875 -0.0090856 -2.0669542 20 O -2.3162557 0.3068903 0.4947633 0.4126610 -2.0578781 0.0479349 0.4939434 0.1638914 -2.2077251 21 O -1.9677287 0.1225337 -0.5099948 0.0613205 -2.1519457 -0.0241310 -0.4788875 0.0090856 -2.0669542 22 O -2.3162557 0.3068903 0.4947633 0.4126610 -2.0578781 0.0479349 0.4939434 0.1638914 -2.2077251 23 O -2.3162557 -0.3068903 -0.4947633 -0.4126610 -2.0578781 0.0479349 -0.4939434 0.1638914 -2.2077251 24 O -1.9677287 -0.1225337 -0.5099948 -0.0613205 -2.1519457 0.0241310 -0.4788875 -0.0090856 -2.0669542 25 O -2.3162557 -0.3068903 -0.4947633 -0.4126610 -2.0578781 0.0479349 -0.4939434 0.1638914 -2.2077251 26 O -2.3162557 0.3068903 -0.4947633 0.4126610 -2.0578781 -0.0479349 -0.4939434 -0.1638914 -2.2077251 27 O -2.3162557 -0.3068903 0.4947633 -0.4126610 -2.0578781 -0.0479349 0.4939434 -0.1638914 -2.2077251 28 O -1.9677287 0.1225337 -0.5099948 0.0613205 -2.1519457 -0.0241310 -0.4788875 0.0090856 -2.0669542----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000003 (xyx) 0.00000003 (xyx) 0.00000003 (xxy)Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- 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 ... [ 10 4 9 ]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: 0.60, Number of G-points: 299, Lambda: 0.13Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/90) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90Calculating 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 2.260 ( 0.000 0.000 0.000) 0.000 2.374 ( 0.000 0.000 0.000) 0.000 2.506 ( 0.000 0.000 0.000) 0.000 2.831 ( 0.000 0.000 0.000) 0.000 3.450 ( 0.000 0.000 0.000) 0.000 3.512 ( 0.000 0.000 0.000) 0.000 3.669 ( 0.000 0.000 0.000) 0.000 3.794 ( 0.000 0.000 0.000) 0.000 3.880 ( 0.000 0.000 0.000) 0.000 4.293 ( 0.000 0.000 0.000) 0.000 4.456 ( 0.000 0.000 0.000) 0.000 4.665 ( 0.000 0.000 0.000) 0.000 4.875 ( 0.000 0.000 0.000) 0.000 5.022 ( 0.000 0.000 0.000) 0.000 5.149 ( 0.000 0.000 0.000) 0.000 5.281 ( 0.000 0.000 0.000) 0.000 5.394 ( 0.000 0.000 0.000) 0.000 5.429 ( 0.000 0.000 0.000) 0.000 5.445 ( 0.000 0.000 0.000) 0.000 5.712 ( 0.000 0.000 0.000) 0.000 6.108 ( 0.000 0.000 0.000) 0.000 6.337 ( 0.000 0.000 0.000) 0.000 6.452 ( 0.000 0.000 0.000) 0.000 6.521 ( 0.000 0.000 0.000) 0.000 6.696 ( 0.000 0.000 0.000) 0.000 7.451 ( 0.000 0.000 0.000) 0.000 7.682 ( 0.000 0.000 0.000) 0.000 7.746 ( 0.000 0.000 0.000) 0.000 7.899 ( 0.000 0.000 0.000) 0.000 7.960 ( 0.000 0.000 0.000) 0.000 8.470 ( 0.000 0.000 0.000) 0.000 9.505 ( 0.000 0.000 0.000) 0.000 9.709 ( 0.000 0.000 0.000) 0.000 9.792 ( 0.000 0.000 0.000) 0.000 9.872 ( 0.000 0.000 0.000) 0.000 9.882 ( 0.000 0.000 0.000) 0.000 10.182 ( 0.000 0.000 0.000) 0.000 10.229 ( 0.000 0.000 0.000) 0.000 10.298 ( 0.000 0.000 0.000) 0.000 10.324 ( 0.000 0.000 0.000) 0.000 10.725 ( 0.000 0.000 0.000) 0.000 10.855 ( 0.000 0.000 0.000) 0.000 11.013 ( 0.000 0.000 0.000) 0.000 11.025 ( 0.000 0.000 0.000) 0.000 11.027 ( 0.000 0.000 0.000) 0.000 11.041 ( 0.000 0.000 0.000) 0.000 11.127 ( 0.000 0.000 0.000) 0.000 11.270 ( 0.000 0.000 0.000) 0.000 11.680 ( 0.000 0.000 0.000) 0.000 11.845 ( 0.000 0.000 0.000) 0.000 11.889 ( 0.000 0.000 0.000) 0.000 12.652 ( 0.000 0.000 0.000) 0.000 12.898 ( 0.000 0.000 0.000) 0.000 13.112 ( 0.000 0.000 0.000) 0.000 14.001 ( 0.000 0.000 0.000) 0.000 14.011 ( 0.000 0.000 0.000) 0.000 14.165 ( 0.000 0.000 0.000) 0.000 14.208 ( 0.000 0.000 0.000) 0.000 14.693 ( 0.000 0.000 0.000) 0.000 14.737 ( 0.000 0.000 0.000) 0.000 14.836 ( 0.000 0.000 0.000) 0.000 14.855 ( 0.000 0.000 0.000) 0.000 15.187 ( 0.000 0.000 0.000) 0.000 15.325 ( 0.000 0.000 0.000) 0.000 15.339 ( 0.000 0.000 0.000) 0.000 19.085 ( 0.000 0.000 0.000) 0.000 19.118 ( 0.000 0.000 0.000) 0.000 19.225 ( 0.000 0.000 0.000) 0.000 19.263 ( 0.000 0.000 0.000) 0.000 19.711 ( 0.000 0.000 0.000) 0.000 19.810 ( 0.000 0.000 0.000) 0.000 20.182 ( 0.000 0.000 0.000) 0.000 20.944 ( 0.000 0.000 0.000) 0.000 21.144 ( 0.000 0.000 0.000) 0.000 21.181 ( 0.000 0.000 0.000) 0.000 21.921 ( 0.000 0.000 0.000) 0.000 22.000 ( 0.000 0.000 0.000) 0.000 22.134 ( 0.000 0.000 0.000) 0.000 22.155 ( 0.000 0.000 0.000) 0.000 22.162 ( 0.000 0.000 0.000) 0.000 22.237 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/90) =======================q-point: ( 0.10 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.677 ( 34.101 0.000 0.000) 34.101 0.697 ( 34.495 0.000 0.000) 34.495 1.273 ( 63.140 0.000 0.000) 63.140 2.398 ( 11.734 0.000 0.000) 11.734 2.480 ( 10.478 0.000 0.000) 10.478 2.578 ( 6.983 0.000 0.000) 6.983 2.802 ( -2.235 0.000 0.000) 2.235 3.441 ( -0.937 0.000 0.000) 0.937 3.576 ( -7.648 0.000 0.000) 7.648 3.773 ( -2.256 0.000 0.000) 2.256 3.935 ( 3.697 0.000 0.000) 3.697 4.070 ( 7.390 0.000 0.000) 7.390 4.277 ( -1.119 0.000 0.000) 1.119 4.392 ( -2.825 0.000 0.000) 2.825 4.721 ( 2.814 0.000 0.000) 2.814 4.855 ( -1.977 0.000 0.000) 1.977 5.047 ( 0.106 0.000 0.000) 0.106 5.214 ( 8.006 0.000 0.000) 8.006 5.318 ( -5.706 0.000 0.000) 5.706 5.374 ( -4.302 0.000 0.000) 4.302 5.454 ( 0.654 0.000 0.000) 0.654 5.498 ( 5.627 0.000 0.000) 5.627 5.665 ( -4.982 0.000 0.000) 4.982 6.070 ( -3.914 0.000 0.000) 3.914 6.469 ( -5.073 0.000 0.000) 5.073 6.490 ( 3.349 0.000 0.000) 3.349 6.659 ( -3.783 0.000 0.000) 3.783 7.219 ( -13.523 0.000 0.000) 13.523 7.585 ( 3.967 0.000 0.000) 3.967 7.655 ( -2.088 0.000 0.000) 2.088 7.746 ( -0.038 0.000 0.000) 0.038 7.914 ( 0.721 0.000 0.000) 0.721 8.009 ( 4.201 0.000 0.000) 4.201 8.831 ( -2.631 0.000 0.000) 2.631 9.462 ( -3.387 0.000 0.000) 3.387 9.670 ( -2.823 0.000 0.000) 2.823 9.672 ( -15.731 0.000 0.000) 15.731 9.877 ( -0.114 0.000 0.000) 0.114 9.944 ( 5.879 0.000 0.000) 5.879 10.062 ( -1.932 0.000 0.000) 1.932 10.230 ( 0.849 0.000 0.000) 0.849 10.277 ( -4.013 0.000 0.000) 4.013 10.613 ( 5.758 0.000 0.000) 5.758 10.936 ( 7.677 0.000 0.000) 7.677 11.001 ( -1.201 0.000 0.000) 1.201 11.006 ( -0.881 0.000 0.000) 0.881 11.017 ( -1.209 0.000 0.000) 1.209 11.059 ( 15.321 0.000 0.000) 15.321 11.136 ( 1.462 0.000 0.000) 1.462 11.295 ( 7.463 0.000 0.000) 7.463 11.470 ( 12.022 0.000 0.000) 12.022 11.667 ( -1.406 0.000 0.000) 1.406 11.911 ( 6.597 0.000 0.000) 6.597 11.980 ( 8.659 0.000 0.000) 8.659 12.620 ( -3.176 0.000 0.000) 3.176 12.801 ( -9.354 0.000 0.000) 9.354 12.956 ( -14.655 0.000 0.000) 14.655 13.878 ( -12.294 0.000 0.000) 12.294 14.179 ( 1.111 0.000 0.000) 1.111 14.227 ( 0.757 0.000 0.000) 0.757 14.499 ( -0.691 0.000 0.000) 0.691 14.710 ( -9.564 0.000 0.000) 9.564 14.711 ( -2.801 0.000 0.000) 2.801 14.733 ( -12.730 0.000 0.000) 12.730 15.150 ( -3.068 0.000 0.000) 3.068 15.231 ( -7.729 0.000 0.000) 7.729 15.488 ( 11.364 0.000 0.000) 11.364 15.808 ( -3.962 0.000 0.000) 3.962 19.119 ( 3.367 0.000 0.000) 3.367 19.120 ( 0.172 0.000 0.000) 0.172 19.271 ( 0.906 0.000 0.000) 0.906 19.352 ( -1.197 0.000 0.000) 1.197 19.710 ( -0.139 0.000 0.000) 0.139 19.811 ( 0.060 0.000 0.000) 0.060 20.160 ( -2.306 0.000 0.000) 2.306 20.452 ( -24.966 0.000 0.000) 24.966 21.620 ( 21.216 0.000 0.000) 21.216 21.865 ( -4.536 0.000 0.000) 4.536 21.950 ( -10.258 0.000 0.000) 10.258 21.992 ( -0.825 0.000 0.000) 0.825 22.182 ( 3.826 0.000 0.000) 3.826 22.348 ( 8.287 0.000 0.000) 8.287 22.363 ( 14.505 0.000 0.000) 14.505 24.143 ( -0.980 0.000 0.000) 0.980======================= Grid point 2 (3/90) =======================q-point: ( 0.20 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.329 ( 32.119 0.000 0.000) 32.119 1.339 ( 30.633 0.000 0.000) 30.633 2.426 ( 51.819 0.000 0.000) 51.819 2.611 ( 8.390 0.000 0.000) 8.390 2.758 ( 16.894 0.000 0.000) 16.894 2.759 ( 11.411 0.000 0.000) 11.411 2.782 ( 0.815 0.000 0.000) 0.815 3.417 ( -1.228 0.000 0.000) 1.228 3.424 ( -6.421 0.000 0.000) 6.421 3.709 ( -3.683 0.000 0.000) 3.683 3.944 ( -4.469 0.000 0.000) 4.469 4.264 ( 11.776 0.000 0.000) 11.776 4.304 ( 5.244 0.000 0.000) 5.244 4.438 ( 8.018 0.000 0.000) 8.018 4.724 ( -2.557 0.000 0.000) 2.557 4.802 ( -3.363 0.000 0.000) 3.363 4.995 ( -4.997 0.000 0.000) 4.997 5.199 ( -5.911 0.000 0.000) 5.911 5.267 ( -6.108 0.000 0.000) 6.108 5.429 ( 11.725 0.000 0.000) 11.725 5.487 ( 2.847 0.000 0.000) 2.847 5.506 ( -11.568 0.000 0.000) 11.568 5.644 ( 8.818 0.000 0.000) 8.818 5.958 ( -7.134 0.000 0.000) 7.134 6.337 ( -7.714 0.000 0.000) 7.714 6.554 ( -6.449 0.000 0.000) 6.449 6.565 ( 4.088 0.000 0.000) 4.088 6.945 ( -13.387 0.000 0.000) 13.387 7.594 ( -3.208 0.000 0.000) 3.208 7.628 ( -0.256 0.000 0.000) 0.256 7.740 ( -0.915 0.000 0.000) 0.915 7.890 ( -3.685 0.000 0.000) 3.685 8.079 ( 1.760 0.000 0.000) 1.760 8.764 ( -4.196 0.000 0.000) 4.196 9.358 ( -11.747 0.000 0.000) 11.747 9.429 ( 1.401 0.000 0.000) 1.401 9.616 ( -2.733 0.000 0.000) 2.733 9.896 ( 2.511 0.000 0.000) 2.511 10.066 ( 6.202 0.000 0.000) 6.202 10.131 ( 4.455 0.000 0.000) 4.455 10.192 ( -4.367 0.000 0.000) 4.367 10.308 ( 8.024 0.000 0.000) 8.024 10.709 ( 3.226 0.000 0.000) 3.226 10.968 ( -3.939 0.000 0.000) 3.939 10.981 ( -1.338 0.000 0.000) 1.338 11.064 ( 8.090 0.000 0.000) 8.090 11.110 ( -2.220 0.000 0.000) 2.220 11.129 ( 11.077 0.000 0.000) 11.077 11.195 ( 4.298 0.000 0.000) 4.298 11.621 ( -3.589 0.000 0.000) 3.589 11.636 ( 19.218 0.000 0.000) 19.218 11.723 ( 12.785 0.000 0.000) 12.785 12.087 ( 10.781 0.000 0.000) 10.781 12.191 ( 11.735 0.000 0.000) 11.735 12.536 ( -5.021 0.000 0.000) 5.021 12.567 ( -13.282 0.000 0.000) 13.282 12.597 ( -20.530 0.000 0.000) 20.530 13.560 ( -18.380 0.000 0.000) 18.380 14.171 ( -7.977 0.000 0.000) 7.977 14.194 ( -4.656 0.000 0.000) 4.656 14.315 ( -21.863 0.000 0.000) 21.863 14.478 ( -1.511 0.000 0.000) 1.511 14.562 ( -5.720 0.000 0.000) 5.720 14.613 ( -7.492 0.000 0.000) 7.492 15.109 ( -0.057 0.000 0.000) 0.057 15.147 ( -0.900 0.000 0.000) 0.900 15.660 ( 5.248 0.000 0.000) 5.248 15.699 ( -6.915 0.000 0.000) 6.915 19.124 ( 0.286 0.000 0.000) 0.286 19.209 ( 5.609 0.000 0.000) 5.609 19.300 ( 2.087 0.000 0.000) 2.087 19.319 ( -2.066 0.000 0.000) 2.066 19.703 ( -0.591 0.000 0.000) 0.591 19.811 ( -0.075 0.000 0.000) 0.075 20.071 ( -14.020 0.000 0.000) 14.020 20.093 ( -4.467 0.000 0.000) 4.467 21.772 ( -7.617 0.000 0.000) 7.617 21.774 ( -4.442 0.000 0.000) 4.442 21.853 ( 5.044 0.000 0.000) 5.044 21.970 ( -1.271 0.000 0.000) 1.271 22.257 ( 3.620 0.000 0.000) 3.620 22.473 ( 4.316 0.000 0.000) 4.316 22.785 ( 24.907 0.000 0.000) 24.907 24.113 ( -2.183 0.000 0.000) 2.183======================= Grid point 3 (4/90) =======================q-point: ( 0.30 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.876 ( 23.310 0.000 0.000) 23.310 1.928 ( 28.849 0.000 0.000) 28.849 2.758 ( 8.924 0.000 0.000) 8.924 2.825 ( 2.996 0.000 0.000) 2.996 2.869 ( 2.787 0.000 0.000) 2.787 3.084 ( 13.401 0.000 0.000) 13.401 3.266 ( 22.478 0.000 0.000) 22.478 3.372 ( 0.886 0.000 0.000) 0.886 3.421 ( 3.653 0.000 0.000) 3.653 3.736 ( 12.580 0.000 0.000) 12.580 3.782 ( -9.741 0.000 0.000) 9.741 4.446 ( 7.038 0.000 0.000) 7.038 4.489 ( 9.070 0.000 0.000) 9.070 4.602 ( -1.733 0.000 0.000) 1.733 4.676 ( 5.485 0.000 0.000) 5.485 4.728 ( -3.960 0.000 0.000) 3.960 4.872 ( -6.714 0.000 0.000) 6.714 5.111 ( -2.076 0.000 0.000) 2.076 5.199 ( 2.311 0.000 0.000) 2.311 5.210 ( -17.942 0.000 0.000) 17.942 5.536 ( 0.713 0.000 0.000) 0.713 5.594 ( 3.578 0.000 0.000) 3.578 5.815 ( 7.895 0.000 0.000) 7.895 5.816 ( -6.749 0.000 0.000) 6.749 6.209 ( -3.952 0.000 0.000) 3.952 6.423 ( -6.624 0.000 0.000) 6.624 6.651 ( 4.663 0.000 0.000) 4.663 6.752 ( -4.580 0.000 0.000) 4.580 7.466 ( -9.257 0.000 0.000) 9.257 7.641 ( 1.197 0.000 0.000) 1.197 7.689 ( -5.178 0.000 0.000) 5.178 7.787 ( -5.728 0.000 0.000) 5.728 8.072 ( -1.160 0.000 0.000) 1.160 8.658 ( -6.894 0.000 0.000) 6.894 9.247 ( -0.522 0.000 0.000) 0.522 9.536 ( 8.930 0.000 0.000) 8.930 9.559 ( -3.168 0.000 0.000) 3.168 9.988 ( 6.957 0.000 0.000) 6.957 10.111 ( -3.874 0.000 0.000) 3.874 10.177 ( 4.921 0.000 0.000) 4.921 10.198 ( 2.991 0.000 0.000) 2.991 10.500 ( 9.266 0.000 0.000) 9.266 10.763 ( 3.222 0.000 0.000) 3.222 10.852 ( -7.927 0.000 0.000) 7.927 10.957 ( -1.495 0.000 0.000) 1.495 11.100 ( 2.549 0.000 0.000) 2.549 11.282 ( 12.785 0.000 0.000) 12.785 11.289 ( 4.798 0.000 0.000) 4.798 11.344 ( 9.813 0.000 0.000) 9.813 11.508 ( -7.917 0.000 0.000) 7.917 11.943 ( 9.159 0.000 0.000) 9.159 11.944 ( 11.575 0.000 0.000) 11.575 12.199 ( -17.466 0.000 0.000) 17.466 12.301 ( 9.576 0.000 0.000) 9.576 12.332 ( -9.456 0.000 0.000) 9.456 12.406 ( 8.159 0.000 0.000) 8.159 12.442 ( -3.970 0.000 0.000) 3.970 13.237 ( -12.012 0.000 0.000) 12.012 13.610 ( -33.524 0.000 0.000) 33.524 14.048 ( -9.971 0.000 0.000) 9.971 14.240 ( 0.711 0.000 0.000) 0.711 14.433 ( -9.601 0.000 0.000) 9.601 14.439 ( -2.484 0.000 0.000) 2.484 14.466 ( -4.430 0.000 0.000) 4.430 15.157 ( 4.587 0.000 0.000) 4.587 15.161 ( 1.765 0.000 0.000) 1.765 15.550 ( -7.977 0.000 0.000) 7.977 15.686 ( -2.401 0.000 0.000) 2.401 19.132 ( 0.593 0.000 0.000) 0.593 19.274 ( -2.478 0.000 0.000) 2.478 19.329 ( 6.330 0.000 0.000) 6.330 19.352 ( 3.126 0.000 0.000) 3.126 19.686 ( -1.088 0.000 0.000) 1.088 19.807 ( -0.335 0.000 0.000) 0.335 19.881 ( -6.014 0.000 0.000) 6.014 19.987 ( -6.155 0.000 0.000) 6.155 21.657 ( -4.060 0.000 0.000) 4.060 21.698 ( -3.265 0.000 0.000) 3.265 21.902 ( 1.039 0.000 0.000) 1.039 21.945 ( -1.190 0.000 0.000) 1.190 22.322 ( 3.088 0.000 0.000) 3.088 22.518 ( 0.429 0.000 0.000) 0.429 23.240 ( 20.453 0.000 0.000) 20.453 24.055 ( -3.816 0.000 0.000) 3.816======================= Grid point 4 (5/90) =======================q-point: ( 0.40 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.244 ( 15.151 0.000 0.000) 15.151 2.456 ( 24.911 0.000 0.000) 24.911 2.776 ( -10.739 0.000 0.000) 10.739 2.901 ( 5.114 0.000 0.000) 5.114 3.017 ( 16.794 0.000 0.000) 16.794 3.167 ( -3.115 0.000 0.000) 3.115 3.285 ( -13.490 0.000 0.000) 13.490 3.439 ( 1.314 0.000 0.000) 1.314 3.632 ( 14.747 0.000 0.000) 14.747 3.741 ( 7.434 0.000 0.000) 7.434 4.092 ( 15.113 0.000 0.000) 15.113 4.464 ( -8.663 0.000 0.000) 8.663 4.493 ( -2.698 0.000 0.000) 2.698 4.573 ( 2.262 0.000 0.000) 2.262 4.653 ( -4.478 0.000 0.000) 4.478 4.757 ( -0.997 0.000 0.000) 0.997 4.786 ( -1.597 0.000 0.000) 1.597 4.857 ( -15.252 0.000 0.000) 15.252 5.153 ( 5.955 0.000 0.000) 5.955 5.409 ( 8.829 0.000 0.000) 8.829 5.504 ( 4.012 0.000 0.000) 4.012 5.585 ( -1.935 0.000 0.000) 1.935 5.696 ( -5.684 0.000 0.000) 5.684 5.919 ( 1.395 0.000 0.000) 1.395 6.195 ( 1.430 0.000 0.000) 1.430 6.307 ( -4.928 0.000 0.000) 4.928 6.742 ( 4.727 0.000 0.000) 4.727 6.788 ( 6.494 0.000 0.000) 6.494 7.272 ( -8.745 0.000 0.000) 8.745 7.511 ( -12.476 0.000 0.000) 12.476 7.662 ( 0.771 0.000 0.000) 0.771 7.701 ( -2.720 0.000 0.000) 2.720 8.105 ( 5.424 0.000 0.000) 5.424 8.488 ( -10.365 0.000 0.000) 10.365 9.294 ( 4.393 0.000 0.000) 4.393 9.487 ( -4.275 0.000 0.000) 4.275 9.736 ( 10.327 0.000 0.000) 10.327 10.029 ( -4.657 0.000 0.000) 4.657 10.168 ( 11.053 0.000 0.000) 11.053 10.254 ( 2.791 0.000 0.000) 2.791 10.255 ( 2.527 0.000 0.000) 2.527 10.637 ( 5.624 0.000 0.000) 5.624 10.658 ( -11.693 0.000 0.000) 11.693 10.858 ( 6.732 0.000 0.000) 6.732 10.898 ( -5.167 0.000 0.000) 5.167 11.216 ( 7.806 0.000 0.000) 7.806 11.269 ( -12.623 0.000 0.000) 12.623 11.360 ( 1.827 0.000 0.000) 1.827 11.521 ( 10.265 0.000 0.000) 10.265 11.543 ( 7.224 0.000 0.000) 7.224 11.960 ( -5.364 0.000 0.000) 5.364 12.068 ( 0.309 0.000 0.000) 0.309 12.072 ( 4.348 0.000 0.000) 4.348 12.210 ( -3.721 0.000 0.000) 3.721 12.402 ( 1.590 0.000 0.000) 1.590 12.417 ( 2.496 0.000 0.000) 2.496 12.497 ( 0.691 0.000 0.000) 0.691 13.001 ( -27.356 0.000 0.000) 27.356 13.197 ( 8.559 0.000 0.000) 8.559 13.802 ( -15.078 0.000 0.000) 15.078 14.265 ( 1.946 0.000 0.000) 1.946 14.296 ( -3.370 0.000 0.000) 3.370 14.379 ( -4.498 0.000 0.000) 4.498 14.381 ( -3.289 0.000 0.000) 3.289 15.209 ( 3.064 0.000 0.000) 3.064 15.275 ( 7.123 0.000 0.000) 7.123 15.401 ( -6.934 0.000 0.000) 6.934 15.586 ( -7.171 0.000 0.000) 7.171 19.150 ( 1.235 0.000 0.000) 1.235 19.225 ( -2.425 0.000 0.000) 2.425 19.417 ( 3.290 0.000 0.000) 3.290 19.440 ( 4.303 0.000 0.000) 4.303 19.673 ( 0.413 0.000 0.000) 0.413 19.799 ( -0.431 0.000 0.000) 0.431 19.809 ( -1.824 0.000 0.000) 1.824 19.858 ( -6.868 0.000 0.000) 6.868 21.609 ( -0.944 0.000 0.000) 0.944 21.645 ( -2.186 0.000 0.000) 2.186 21.912 ( 0.208 0.000 0.000) 0.208 21.926 ( -0.742 0.000 0.000) 0.742 22.382 ( 3.108 0.000 0.000) 3.108 22.499 ( -2.157 0.000 0.000) 2.157 23.578 ( 14.243 0.000 0.000) 14.243 23.959 ( -6.117 0.000 0.000) 6.117======================= Grid point 5 (6/90) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.522 ( -13.915 0.000 0.000) 13.915 2.522 ( 13.915 0.000 0.000) 13.915 2.897 ( -18.220 0.000 0.000) 18.220 2.897 ( 18.220 0.000 0.000) 18.220 3.061 ( -4.481 0.000 0.000) 4.481 3.061 ( 4.481 0.000 0.000) 4.481 3.330 ( -12.520 0.000 0.000) 12.520 3.330 ( 12.520 0.000 0.000) 12.520 3.841 ( -2.961 0.000 0.000) 2.961 3.841 ( 2.961 0.000 0.000) 2.961 4.294 ( -8.307 0.000 0.000) 8.307 4.294 ( 8.307 0.000 0.000) 8.307 4.490 ( -6.713 0.000 0.000) 6.713 4.490 ( 6.713 0.000 0.000) 6.713 4.670 ( -6.477 0.000 0.000) 6.477 4.670 ( 6.477 0.000 0.000) 6.477 4.755 ( -1.480 0.000 0.000) 1.480 4.755 ( 1.480 0.000 0.000) 1.480 5.299 ( -8.312 0.000 0.000) 8.312 5.299 ( 8.312 0.000 0.000) 8.312 5.599 ( -3.561 0.000 0.000) 3.561 5.599 ( 3.561 0.000 0.000) 3.561 5.810 ( -13.161 0.000 0.000) 13.161 5.810 ( 13.161 0.000 0.000) 13.161 6.235 ( -2.574 0.000 0.000) 2.574 6.235 ( 2.574 0.000 0.000) 2.574 6.840 ( -3.751 0.000 0.000) 3.751 6.840 ( 3.751 0.000 0.000) 3.751 7.263 ( -9.672 0.000 0.000) 9.672 7.263 ( 9.672 0.000 0.000) 9.672 7.673 ( -0.559 0.000 0.000) 0.559 7.673 ( 0.559 0.000 0.000) 0.559 8.272 ( -10.748 0.000 0.000) 10.748 8.272 ( 10.748 0.000 0.000) 10.748 9.392 ( -5.204 0.000 0.000) 5.204 9.392 ( 5.204 0.000 0.000) 5.204 9.913 ( -7.440 0.000 0.000) 7.440 9.913 ( 7.440 0.000 0.000) 7.440 10.282 ( -0.006 0.000 0.000) 0.006 10.282 ( 0.006 0.000 0.000) 0.006 10.410 ( -13.054 0.000 0.000) 13.054 10.410 ( 13.054 0.000 0.000) 13.054 10.763 ( -7.431 0.000 0.000) 7.431 10.763 ( 7.431 0.000 0.000) 7.431 11.031 ( -10.837 0.000 0.000) 10.837 11.031 ( 10.837 0.000 0.000) 10.837 11.341 ( -3.968 0.000 0.000) 3.968 11.341 ( 3.968 0.000 0.000) 3.968 11.627 ( -0.116 0.000 0.000) 0.116 11.627 ( 0.116 0.000 0.000) 0.116 11.983 ( -5.810 0.000 0.000) 5.810 11.983 ( 5.810 0.000 0.000) 5.810 12.146 ( -3.487 0.000 0.000) 3.487 12.146 ( 3.487 0.000 0.000) 3.487 12.455 ( -3.728 0.000 0.000) 3.728 12.455 ( 3.728 0.000 0.000) 3.728 12.578 ( -14.876 0.000 0.000) 14.876 12.578 ( 14.876 0.000 0.000) 14.876 13.476 ( -17.158 0.000 0.000) 17.158 13.476 ( 17.158 0.000 0.000) 17.158 14.300 ( -2.971 0.000 0.000) 2.971 14.300 ( 2.971 0.000 0.000) 2.971 14.316 ( -3.145 0.000 0.000) 3.145 14.316 ( 3.145 0.000 0.000) 3.145 15.285 ( -4.829 0.000 0.000) 4.829 15.285 ( 4.829 0.000 0.000) 4.829 15.429 ( -8.321 0.000 0.000) 8.321 15.429 ( 8.321 0.000 0.000) 8.321 19.181 ( -1.954 0.000 0.000) 1.954 19.181 ( 1.954 0.000 0.000) 1.954 19.468 ( -1.322 0.000 0.000) 1.322 19.468 ( 1.322 0.000 0.000) 1.322 19.731 ( -5.439 0.000 0.000) 5.439 19.731 ( 5.439 0.000 0.000) 5.439 19.794 ( -0.062 0.000 0.000) 0.062 19.794 ( 0.062 0.000 0.000) 0.062 21.612 ( -1.047 0.000 0.000) 1.047 21.612 ( 1.047 0.000 0.000) 1.047 21.916 ( -0.286 0.000 0.000) 0.286 21.916 ( 0.286 0.000 0.000) 0.286 22.444 ( -3.146 0.000 0.000) 3.146 22.444 ( 3.146 0.000 0.000) 3.146 23.808 ( -9.447 0.000 0.000) 9.447 23.808 ( 9.447 0.000 0.000) 9.447======================= Grid point 11 (7/90) =======================q-point: ( 0.00 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.668 ( 0.000 30.995 0.000) 30.995 0.723 ( 0.000 33.236 0.000) 33.236 1.211 ( 0.000 55.931 0.000) 55.931 1.919 ( 0.000 -25.859 0.000) 25.859 1.983 ( 0.000 -21.995 0.000) 21.995 2.848 ( 0.000 14.520 0.000) 14.520 2.945 ( 0.000 6.643 0.000) 6.643 3.247 ( 0.000 -35.054 0.000) 35.054 3.445 ( 0.000 2.020 0.000) 2.020 3.620 ( 0.000 8.389 0.000) 8.389 3.788 ( 0.000 -8.206 0.000) 8.206 3.907 ( 0.000 10.366 0.000) 10.366 4.163 ( 0.000 -14.635 0.000) 14.635 4.406 ( 0.000 4.013 0.000) 4.013 4.594 ( 0.000 -14.634 0.000) 14.634 4.770 ( 0.000 -8.622 0.000) 8.622 4.998 ( 0.000 3.319 0.000) 3.319 5.189 ( 0.000 8.934 0.000) 8.934 5.310 ( 0.000 1.590 0.000) 1.590 5.353 ( 0.000 -7.538 0.000) 7.538 5.587 ( 0.000 14.494 0.000) 14.494 5.706 ( 0.000 15.962 0.000) 15.962 5.973 ( 0.000 1.995 0.000) 1.995 6.233 ( 0.000 -9.655 0.000) 9.655 6.490 ( 0.000 3.485 0.000) 3.485 6.661 ( 0.000 12.212 0.000) 12.212 6.671 ( 0.000 -2.621 0.000) 2.621 7.284 ( 0.000 -12.347 0.000) 12.347 7.622 ( 0.000 4.490 0.000) 4.490 7.649 ( 0.000 -2.234 0.000) 2.234 7.680 ( 0.000 -3.804 0.000) 3.804 7.887 ( 0.000 -6.311 0.000) 6.311 8.012 ( 0.000 8.239 0.000) 8.239 8.390 ( 0.000 -7.007 0.000) 7.007 9.497 ( 0.000 0.351 0.000) 0.351 9.686 ( 0.000 -7.972 0.000) 7.972 9.729 ( 0.000 1.651 0.000) 1.651 9.786 ( 0.000 -0.608 0.000) 0.608 10.106 ( 0.000 9.936 0.000) 9.936 10.246 ( 0.000 1.838 0.000) 1.838 10.303 ( 0.000 6.475 0.000) 6.475 10.352 ( 0.000 3.247 0.000) 3.247 10.353 ( 0.000 7.133 0.000) 7.133 10.636 ( 0.000 -6.801 0.000) 6.801 10.906 ( 0.000 3.201 0.000) 3.201 10.967 ( 0.000 -6.388 0.000) 6.388 11.009 ( 0.000 -1.357 0.000) 1.357 11.014 ( 0.000 0.074 0.000) 0.074 11.024 ( 0.000 -0.263 0.000) 0.263 11.042 ( 0.000 -14.511 0.000) 14.511 11.852 ( 0.000 0.613 0.000) 0.613 11.883 ( 0.000 -0.545 0.000) 0.545 11.908 ( 0.000 14.962 0.000) 14.962 12.425 ( 0.000 -7.941 0.000) 7.941 12.712 ( 0.000 4.046 0.000) 4.046 12.870 ( 0.000 -2.526 0.000) 2.526 14.002 ( 0.000 0.124 0.000) 0.124 14.010 ( 0.000 -0.158 0.000) 0.158 14.170 ( 0.000 0.441 0.000) 0.441 14.200 ( 0.000 -0.714 0.000) 0.714 14.719 ( 0.000 2.276 0.000) 2.276 14.752 ( 0.000 1.375 0.000) 1.375 14.820 ( 0.000 -1.436 0.000) 1.436 14.835 ( 0.000 -1.789 0.000) 1.789 15.158 ( 0.000 0.371 0.000) 0.371 15.236 ( 0.000 -3.678 0.000) 3.678 15.450 ( 0.000 5.704 0.000) 5.704 15.648 ( 0.000 -2.849 0.000) 2.849 19.089 ( 0.000 0.441 0.000) 0.441 19.113 ( 0.000 -0.434 0.000) 0.434 19.230 ( 0.000 0.475 0.000) 0.475 19.257 ( 0.000 -0.523 0.000) 0.523 19.858 ( 0.000 4.386 0.000) 4.386 20.118 ( 0.000 -5.516 0.000) 5.516 20.998 ( 0.000 4.626 0.000) 4.626 21.149 ( 0.000 0.481 0.000) 0.481 21.175 ( 0.000 -0.492 0.000) 0.492 21.226 ( 0.000 -4.237 0.000) 4.237 22.038 ( 0.000 3.174 0.000) 3.174 22.138 ( 0.000 0.388 0.000) 0.388 22.155 ( 0.000 -0.498 0.000) 0.498 22.158 ( 0.000 -0.368 0.000) 0.368 22.223 ( 0.000 -0.864 0.000) 0.864 22.246 ( 0.000 -0.876 0.000) 0.876======================= Grid point 12 (8/90) =======================q-point: ( 0.10 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.892 ( 20.997 22.246 0.000) 30.590 0.963 ( 24.660 21.301 0.000) 32.585 1.756 ( 42.767 35.498 0.000) 55.580 2.034 ( 11.057 -23.961 0.000) 26.389 2.071 ( 7.557 -24.050 0.000) 25.210 2.920 ( 6.960 13.843 0.000) 15.494 2.960 ( 2.255 8.165 0.000) 8.470 3.261 ( 1.604 -26.189 0.000) 26.238 3.496 ( -0.497 4.748 0.000) 4.773 3.838 ( 11.436 0.815 0.000) 11.465 3.860 ( 5.821 -7.559 0.000) 9.541 3.922 ( 7.470 5.647 0.000) 9.364 4.155 ( -2.710 -6.391 0.000) 6.941 4.443 ( 6.365 -3.672 0.000) 7.348 4.595 ( -0.527 -13.133 0.000) 13.144 4.732 ( -3.595 -9.699 0.000) 10.344 4.920 ( -5.574 3.541 0.000) 6.604 5.229 ( 2.425 5.402 0.000) 5.921 5.298 ( 0.194 -3.185 0.000) 3.191 5.340 ( -1.804 -4.357 0.000) 4.715 5.651 ( -4.587 14.583 0.000) 15.288 5.682 ( 8.280 16.467 0.000) 18.432 5.871 ( -8.436 4.861 0.000) 9.736 6.197 ( -5.659 0.813 0.000) 5.718 6.411 ( -7.377 -0.137 0.000) 7.378 6.621 ( -4.673 -4.275 0.000) 6.334 6.655 ( -0.382 9.739 0.000) 9.747 7.168 ( -5.978 -17.479 0.000) 18.473 7.403 ( -13.128 10.293 0.000) 16.682 7.723 ( 3.023 -1.177 0.000) 3.244 7.783 ( 6.017 0.174 0.000) 6.020 7.860 ( -2.478 -7.024 0.000) 7.449 8.058 ( 3.858 6.412 0.000) 7.483 8.513 ( 5.821 -15.613 0.000) 16.663 9.457 ( -3.292 1.014 0.000) 3.444 9.664 ( 0.177 -5.729 0.000) 5.731 9.719 ( -9.811 2.768 0.000) 10.194 9.780 ( 2.602 -1.341 0.000) 2.927 10.028 ( -4.834 2.777 0.000) 5.575 10.105 ( -5.747 2.252 0.000) 6.172 10.252 ( 0.510 3.135 0.000) 3.176 10.264 ( -0.301 9.245 0.000) 9.250 10.445 ( 4.299 -2.682 0.000) 5.067 10.856 ( 5.614 -10.896 0.000) 12.257 10.904 ( 2.754 -2.238 0.000) 3.548 10.930 ( 2.622 -3.948 0.000) 4.739 11.031 ( 1.705 0.196 0.000) 1.717 11.056 ( 3.153 -1.137 0.000) 3.351 11.233 ( 19.863 -0.495 0.000) 19.869 11.310 ( 17.966 -1.230 0.000) 18.008 11.850 ( -4.648 10.969 0.000) 11.913 11.926 ( -0.351 2.406 0.000) 2.431 11.927 ( 6.415 2.455 0.000) 6.869 12.141 ( -17.844 9.578 0.000) 20.252 12.649 ( -4.951 2.641 0.000) 5.611 12.776 ( -8.992 -2.234 0.000) 9.265 13.395 ( -37.096 29.187 0.000) 47.201 13.865 ( -13.833 -1.506 0.000) 13.915 14.184 ( 1.178 0.520 0.000) 1.288 14.218 ( 0.954 -0.744 0.000) 1.210 14.529 ( -4.366 2.771 0.000) 5.171 14.682 ( -10.820 -2.611 0.000) 11.130 14.705 ( -5.078 -0.297 0.000) 5.087 14.723 ( -11.315 -0.779 0.000) 11.342 15.127 ( -2.682 -1.061 0.000) 2.884 15.188 ( -5.217 -3.069 0.000) 6.053 15.550 ( 8.759 4.876 0.000) 10.024 15.760 ( 1.830 -3.866 0.000) 4.277 19.117 ( 2.708 -0.094 0.000) 2.710 19.118 ( 0.490 -0.105 0.000) 0.501 19.266 ( 0.988 -0.453 0.000) 1.086 19.271 ( 2.539 -2.219 0.000) 3.372 19.857 ( -0.208 4.265 0.000) 4.270 20.066 ( -25.887 19.094 0.000) 32.167 20.101 ( -1.719 -5.045 0.000) 5.330 20.437 ( -26.715 -1.895 0.000) 26.782 21.667 ( 19.067 4.139 0.000) 19.511 21.842 ( -1.671 -2.222 0.000) 2.780 21.970 ( -8.044 1.910 0.000) 8.267 22.025 ( -0.743 2.275 0.000) 2.393 22.167 ( 4.732 -0.954 0.000) 4.827 22.278 ( 7.391 -4.037 0.000) 8.422 22.438 ( 18.185 4.949 0.000) 18.846 23.225 ( 48.442 -46.041 0.000) 66.831======================= Grid point 13 (9/90) =======================q-point: ( 0.20 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.418 ( 29.527 9.577 0.000) 31.041 1.488 ( 27.102 13.120 0.000) 30.111 2.250 ( 11.260 -22.584 0.000) 25.236 2.315 ( 16.943 -21.409 0.000) 27.302 2.631 ( 42.437 16.780 0.000) 45.634 2.982 ( -1.891 8.860 0.000) 9.060 3.090 ( 9.327 9.834 0.000) 13.554 3.340 ( 6.543 -8.909 0.000) 11.053 3.462 ( -2.217 6.243 0.000) 6.625 3.837 ( -2.416 11.486 0.000) 11.738 3.956 ( 1.077 -0.250 0.000) 1.106 4.095 ( 0.217 -9.676 0.000) 9.679 4.240 ( 15.188 -1.851 0.000) 15.301 4.526 ( -2.019 -10.006 0.000) 10.208 4.643 ( 5.636 -6.338 0.000) 8.481 4.657 ( -2.629 -10.033 0.000) 10.372 4.853 ( 0.918 5.984 0.000) 6.054 5.277 ( 2.794 0.990 0.000) 2.964 5.279 ( -3.180 1.520 0.000) 3.525 5.346 ( 3.674 -8.776 0.000) 9.514 5.544 ( -5.499 10.983 0.000) 12.282 5.655 ( -14.186 7.325 0.000) 15.966 5.870 ( 9.505 15.613 0.000) 18.279 6.017 ( -10.855 2.238 0.000) 11.083 6.240 ( -8.959 -6.024 0.000) 10.796 6.515 ( -5.711 -4.552 0.000) 7.303 6.657 ( 0.902 6.366 0.000) 6.430 7.032 ( -9.919 0.005 0.000) 9.919 7.241 ( -1.910 -8.281 0.000) 8.498 7.718 ( -5.223 -7.179 0.000) 8.878 7.822 ( -0.153 -1.005 0.000) 1.016 7.840 ( -0.281 5.093 0.000) 5.101 8.115 ( 0.672 4.039 0.000) 4.095 8.549 ( -1.400 -14.986 0.000) 15.051 9.394 ( -3.406 3.989 0.000) 5.245 9.529 ( -3.803 7.723 0.000) 8.608 9.685 ( 0.777 -2.631 0.000) 2.743 9.820 ( 2.225 -3.072 0.000) 3.793 9.978 ( -0.359 -1.436 0.000) 1.480 10.153 ( 5.491 0.706 0.000) 5.536 10.285 ( 2.259 8.288 0.000) 8.590 10.295 ( 4.741 -0.173 0.000) 4.744 10.511 ( 3.247 -7.712 0.000) 8.368 10.818 ( -3.595 -12.177 0.000) 12.696 11.027 ( 6.071 0.754 0.000) 6.117 11.092 ( 1.870 -1.566 0.000) 2.439 11.095 ( 6.933 0.946 0.000) 6.997 11.118 ( 10.883 -0.639 0.000) 10.902 11.544 ( -4.297 15.355 0.000) 15.945 11.639 ( 18.581 0.790 0.000) 18.598 11.715 ( -8.350 5.868 0.000) 10.206 11.737 ( 3.895 2.195 0.000) 4.471 12.105 ( 10.845 1.645 0.000) 10.969 12.188 ( 10.260 -0.759 0.000) 10.288 12.515 ( -9.704 -0.208 0.000) 9.706 12.553 ( -12.708 -1.191 0.000) 12.763 12.836 ( -21.548 19.917 0.000) 29.343 13.506 ( -20.817 -5.873 0.000) 21.630 14.170 ( -8.537 -0.047 0.000) 8.537 14.187 ( -5.040 -0.554 0.000) 5.070 14.329 ( -18.191 1.705 0.000) 18.271 14.483 ( -1.625 -0.167 0.000) 1.633 14.551 ( -9.832 -4.574 0.000) 10.844 14.552 ( -5.505 -0.888 0.000) 5.576 15.101 ( 0.743 -0.301 0.000) 0.802 15.133 ( -0.173 -1.188 0.000) 1.200 15.683 ( 3.577 1.864 0.000) 4.034 15.719 ( -4.989 1.076 0.000) 5.103 19.130 ( 0.717 0.603 0.000) 0.936 19.186 ( 3.986 -1.765 0.000) 4.359 19.298 ( 2.204 -0.218 0.000) 2.215 19.304 ( 0.929 -0.832 0.000) 1.248 19.789 ( -6.668 6.565 0.000) 9.357 19.858 ( -0.615 4.165 0.000) 4.210 20.036 ( -13.764 -3.428 0.000) 14.184 20.053 ( -3.960 -3.375 0.000) 5.203 21.751 ( -5.041 -0.779 0.000) 5.101 21.763 ( -4.510 -0.804 0.000) 4.581 21.927 ( 2.025 5.263 0.000) 5.639 22.010 ( -0.813 2.758 0.000) 2.875 22.253 ( 3.767 0.060 0.000) 3.767 22.408 ( 4.807 -5.168 0.000) 7.058 22.895 ( 24.789 10.005 0.000) 26.732 23.757 ( 12.880 -27.084 0.000) 29.991======================= Grid point 14 (10/90) =======================q-point: ( 0.30 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.983 ( 22.473 9.487 0.000) 24.394 1.989 ( 27.853 5.804 0.000) 28.452 2.531 ( 17.078 -14.840 0.000) 22.625 2.645 ( 14.973 -15.477 0.000) 21.534 2.913 ( -3.261 5.689 0.000) 6.558 3.157 ( 3.353 -0.734 0.000) 3.432 3.372 ( 23.084 4.647 0.000) 23.547 3.419 ( -1.629 9.833 0.000) 9.967 3.469 ( 5.560 4.727 0.000) 7.298 3.854 ( 6.046 9.017 0.000) 10.856 3.856 ( -8.562 7.008 0.000) 11.064 4.165 ( 2.819 -18.402 0.000) 18.617 4.401 ( 1.492 -9.880 0.000) 9.992 4.475 ( -2.653 -14.322 0.000) 14.565 4.715 ( 7.819 1.185 0.000) 7.908 4.716 ( 4.508 1.265 0.000) 4.682 4.925 ( 3.492 10.282 0.000) 10.859 5.249 ( -0.698 2.953 0.000) 3.035 5.292 ( -3.937 8.575 0.000) 9.436 5.316 ( -16.594 7.864 0.000) 18.363 5.419 ( 2.577 -8.035 0.000) 8.438 5.483 ( 0.715 -5.027 0.000) 5.078 5.837 ( -6.778 1.246 0.000) 6.892 6.012 ( 3.482 13.090 0.000) 13.545 6.115 ( -1.674 -8.169 0.000) 8.339 6.399 ( -6.091 -2.820 0.000) 6.712 6.699 ( 3.375 4.369 0.000) 5.521 6.868 ( -4.626 8.240 0.000) 9.450 7.232 ( -0.898 -11.832 0.000) 11.866 7.571 ( -8.318 -10.992 0.000) 13.785 7.792 ( -3.654 6.653 0.000) 7.591 7.830 ( 0.511 3.528 0.000) 3.565 8.068 ( -4.698 1.458 0.000) 4.919 8.479 ( -5.529 -13.618 0.000) 14.698 9.356 ( 0.663 8.880 0.000) 8.905 9.584 ( 6.935 4.701 0.000) 8.379 9.667 ( -2.419 3.600 0.000) 4.338 9.888 ( 4.240 -5.999 0.000) 7.346 9.992 ( 1.406 -2.677 0.000) 3.024 10.242 ( 4.170 3.311 0.000) 5.325 10.346 ( 3.725 8.060 0.000) 8.879 10.402 ( 3.204 -8.086 0.000) 8.698 10.597 ( 5.729 -7.527 0.000) 9.459 10.785 ( 1.104 -6.305 0.000) 6.401 11.069 ( -0.614 3.154 0.000) 3.213 11.099 ( 0.228 0.050 0.000) 0.233 11.302 ( 8.144 2.603 0.000) 8.549 11.349 ( 10.435 0.193 0.000) 10.436 11.401 ( -0.585 7.302 0.000) 7.325 11.515 ( -10.174 0.461 0.000) 10.185 11.942 ( 10.183 0.020 0.000) 10.183 11.947 ( 11.773 0.183 0.000) 11.775 12.226 ( -16.263 1.943 0.000) 16.379 12.290 ( -2.769 -0.948 0.000) 2.927 12.341 ( 1.441 0.720 0.000) 1.611 12.379 ( 6.251 -1.098 0.000) 6.347 12.571 ( -6.088 10.967 0.000) 12.543 13.127 ( -16.106 -9.573 0.000) 18.736 13.698 ( -27.016 7.235 0.000) 27.968 14.008 ( -12.753 -4.039 0.000) 13.378 14.250 ( 0.199 0.991 0.000) 1.011 14.371 ( -7.219 -4.527 0.000) 8.521 14.446 ( -2.477 0.350 0.000) 2.502 14.463 ( -4.068 -0.303 0.000) 4.079 15.155 ( 4.374 -0.165 0.000) 4.377 15.158 ( 2.296 -0.258 0.000) 2.310 15.590 ( -7.624 3.155 0.000) 8.251 15.681 ( -3.479 -0.581 0.000) 3.527 19.148 ( 1.078 1.442 0.000) 1.800 19.247 ( 1.152 -2.327 0.000) 2.596 19.330 ( 2.715 0.236 0.000) 2.726 19.348 ( 2.790 -0.372 0.000) 2.815 19.702 ( -2.857 1.662 0.000) 3.306 19.837 ( -6.838 -3.527 0.000) 7.694 19.849 ( -0.471 3.429 0.000) 3.461 19.977 ( -4.142 -1.310 0.000) 4.344 21.658 ( -3.633 0.218 0.000) 3.639 21.686 ( -3.205 -0.888 0.000) 3.325 21.953 ( 0.719 4.091 0.000) 4.153 21.995 ( -0.763 3.577 0.000) 3.658 22.315 ( 2.644 -0.229 0.000) 2.654 22.462 ( 0.900 -4.846 0.000) 4.929 23.322 ( 18.260 7.803 0.000) 19.857 23.888 ( 2.256 -13.990 0.000) 14.171======================= Grid point 15 (11/90) =======================q-point: ( 0.40 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.350 ( 14.973 9.226 0.000) 17.587 2.480 ( 20.599 2.992 0.000) 20.815 2.813 ( 1.602 0.274 0.000) 1.625 2.845 ( 9.757 -5.603 0.000) 11.251 2.936 ( 8.805 -2.576 0.000) 9.174 3.113 ( -4.861 -6.696 0.000) 8.275 3.426 ( 3.921 3.191 0.000) 5.055 3.469 ( -7.220 12.272 0.000) 14.238 3.660 ( 4.583 4.212 0.000) 6.225 3.749 ( -0.402 0.291 0.000) 0.496 4.002 ( 7.397 -7.873 0.000) 10.803 4.181 ( 0.849 -18.086 0.000) 18.106 4.414 ( -3.424 -5.995 0.000) 6.903 4.487 ( 9.267 -5.418 0.000) 10.735 4.789 ( -3.198 6.729 0.000) 7.450 4.800 ( 1.988 4.690 0.000) 5.093 4.908 ( -15.676 5.460 0.000) 16.599 4.974 ( -0.098 8.835 0.000) 8.835 5.163 ( -4.756 0.358 0.000) 4.769 5.356 ( -2.452 -5.892 0.000) 6.382 5.489 ( 9.219 -0.378 0.000) 9.227 5.518 ( 1.874 -3.988 0.000) 4.406 5.766 ( 0.972 6.823 0.000) 6.892 6.020 ( -1.328 5.851 0.000) 5.999 6.157 ( 3.067 -2.676 0.000) 4.071 6.290 ( -4.721 -1.806 0.000) 5.055 6.779 ( 4.618 3.609 0.000) 5.861 6.868 ( 3.041 5.764 0.000) 6.517 7.190 ( -2.163 -5.045 0.000) 5.489 7.409 ( -8.391 -7.965 0.000) 11.569 7.733 ( -1.747 5.367 0.000) 5.644 7.809 ( -3.696 8.409 0.000) 9.185 8.019 ( 2.416 -6.477 0.000) 6.912 8.335 ( -8.942 -12.221 0.000) 15.143 9.412 ( 4.457 9.558 0.000) 10.546 9.602 ( -4.119 6.994 0.000) 8.117 9.738 ( 7.724 1.184 0.000) 7.814 9.927 ( -1.116 -3.909 0.000) 4.066 10.068 ( 6.807 -7.045 0.000) 9.796 10.316 ( 1.060 3.473 0.000) 3.632 10.394 ( -0.770 -11.567 0.000) 11.593 10.419 ( 3.201 8.219 0.000) 8.820 10.726 ( 6.704 -4.539 0.000) 8.096 10.818 ( 0.499 4.253 0.000) 4.282 11.016 ( -3.726 4.960 0.000) 6.204 11.140 ( 4.044 -4.646 0.000) 6.160 11.240 ( -12.459 -2.492 0.000) 12.705 11.293 ( -2.041 -4.456 0.000) 4.901 11.597 ( 9.676 3.637 0.000) 10.337 11.598 ( 11.111 4.565 0.000) 12.012 11.964 ( -7.090 0.700 0.000) 7.125 12.048 ( -4.255 -2.005 0.000) 4.704 12.106 ( 5.490 2.402 0.000) 5.993 12.178 ( 0.472 -1.785 0.000) 1.846 12.430 ( 1.535 1.314 0.000) 2.021 12.441 ( 2.503 2.174 0.000) 3.316 12.535 ( -0.674 3.791 0.000) 3.850 12.862 ( -14.715 -9.364 0.000) 17.442 13.334 ( -5.038 9.383 0.000) 10.650 13.728 ( -14.797 -6.684 0.000) 16.236 14.267 ( 1.643 0.148 0.000) 1.650 14.283 ( -1.612 -0.777 0.000) 1.789 14.382 ( -4.207 0.264 0.000) 4.215 14.387 ( -3.450 0.275 0.000) 3.461 15.217 ( 3.704 0.749 0.000) 3.779 15.263 ( 6.493 -0.986 0.000) 6.568 15.439 ( -7.344 3.196 0.000) 8.009 15.568 ( -7.462 -1.727 0.000) 7.660 19.173 ( 1.497 2.112 0.000) 2.589 19.237 ( -1.401 0.833 0.000) 1.630 19.398 ( 3.174 -3.067 0.000) 4.413 19.400 ( 2.349 -1.524 0.000) 2.800 19.666 ( -0.713 -0.119 0.000) 0.723 19.739 ( -3.691 -3.798 0.000) 5.297 19.842 ( -0.111 3.080 0.000) 3.082 19.900 ( -3.475 1.384 0.000) 3.740 21.613 ( -1.035 0.370 0.000) 1.099 21.637 ( -1.858 -0.607 0.000) 1.954 21.962 ( 0.374 4.094 0.000) 4.111 21.981 ( -0.616 4.213 0.000) 4.258 22.363 ( 2.382 -1.403 0.000) 2.764 22.452 ( -1.583 -4.030 0.000) 4.329 23.613 ( 11.621 3.384 0.000) 12.103 23.880 ( -2.623 -6.637 0.000) 7.136======================= Grid point 16 (12/90) =======================q-point: (-0.50 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.583 ( -8.464 5.711 0.000) 10.211 2.583 ( 8.464 5.711 0.000) 10.211 2.939 ( -6.460 2.986 0.000) 7.116 2.939 ( 6.460 2.986 0.000) 7.116 3.009 ( -2.154 -5.186 0.000) 5.615 3.009 ( 2.154 -5.186 0.000) 5.615 3.431 ( -5.401 8.952 0.000) 10.455 3.431 ( 5.401 8.952 0.000) 10.455 3.703 ( -4.401 -8.778 0.000) 9.819 3.703 ( 4.401 -8.778 0.000) 9.819 4.161 ( -6.612 -13.782 0.000) 15.286 4.161 ( 6.612 -13.782 0.000) 15.286 4.467 ( -11.769 3.253 0.000) 12.210 4.467 ( 11.769 3.253 0.000) 12.210 4.758 ( -7.795 1.961 0.000) 8.038 4.758 ( 7.795 1.961 0.000) 8.038 4.859 ( -4.414 9.497 0.000) 10.472 4.859 ( 4.414 9.497 0.000) 10.472 5.231 ( -7.617 -5.883 0.000) 9.625 5.231 ( 7.617 -5.883 0.000) 9.625 5.557 ( -1.547 -2.517 0.000) 2.955 5.557 ( 1.547 -2.517 0.000) 2.955 5.917 ( -9.638 7.793 0.000) 12.395 5.917 ( 9.638 7.793 0.000) 12.395 6.215 ( -3.112 -2.005 0.000) 3.703 6.215 ( 3.112 -2.005 0.000) 3.703 6.871 ( -3.766 2.405 0.000) 4.469 6.871 ( 3.766 2.405 0.000) 4.469 7.241 ( -7.636 -1.842 0.000) 7.855 7.241 ( 7.636 -1.842 0.000) 7.855 7.736 ( -2.249 5.963 0.000) 6.373 7.736 ( 2.249 5.963 0.000) 6.373 8.149 ( -9.241 -10.081 0.000) 13.676 8.149 ( 9.241 -10.081 0.000) 13.676 9.510 ( -5.092 8.793 0.000) 10.161 9.510 ( 5.092 8.793 0.000) 10.161 9.865 ( -4.983 -1.810 0.000) 5.301 9.865 ( 4.983 -1.810 0.000) 5.301 10.220 ( -7.743 -9.100 0.000) 11.949 10.220 ( 7.743 -9.100 0.000) 11.949 10.440 ( -1.702 5.135 0.000) 5.409 10.440 ( 1.702 5.135 0.000) 5.409 10.810 ( -1.162 2.998 0.000) 3.216 10.810 ( 1.162 2.998 0.000) 3.216 11.024 ( -6.855 0.066 0.000) 6.855 11.024 ( 6.855 0.066 0.000) 6.855 11.237 ( -3.988 -7.393 0.000) 8.400 11.237 ( 3.988 -7.393 0.000) 8.400 11.713 ( -0.523 5.380 0.000) 5.406 11.713 ( 0.523 5.380 0.000) 5.406 11.939 ( -3.537 -2.521 0.000) 4.343 11.939 ( 3.537 -2.521 0.000) 4.343 12.184 ( -2.002 2.007 0.000) 2.835 12.184 ( 2.002 2.007 0.000) 2.835 12.489 ( -3.147 2.566 0.000) 4.060 12.489 ( 3.147 2.566 0.000) 4.060 12.556 ( -12.555 -1.596 0.000) 12.656 12.556 ( 12.555 -1.596 0.000) 12.656 13.453 ( -12.435 -1.743 0.000) 12.557 13.453 ( 12.435 -1.743 0.000) 12.557 14.299 ( -1.657 -0.031 0.000) 1.658 14.299 ( 1.657 -0.031 0.000) 1.658 14.323 ( -1.816 0.433 0.000) 1.867 14.323 ( 1.816 0.433 0.000) 1.867 15.305 ( -5.271 1.758 0.000) 5.556 15.305 ( 5.271 1.758 0.000) 5.556 15.413 ( -7.708 -1.415 0.000) 7.837 15.413 ( 7.708 -1.415 0.000) 7.837 19.205 ( -1.726 2.087 0.000) 2.708 19.205 ( 1.726 2.087 0.000) 2.708 19.429 ( -0.187 -3.292 0.000) 3.297 19.429 ( 0.187 -3.292 0.000) 3.297 19.681 ( -2.155 -2.204 0.000) 3.083 19.681 ( 2.155 -2.204 0.000) 3.083 19.852 ( -1.339 2.840 0.000) 3.140 19.852 ( 1.339 2.840 0.000) 3.140 21.612 ( -0.684 -0.042 0.000) 0.685 21.612 ( 0.684 -0.042 0.000) 0.685 21.970 ( -0.464 4.336 0.000) 4.361 21.970 ( 0.464 4.336 0.000) 4.361 22.411 ( -2.440 -2.832 0.000) 3.738 22.411 ( 2.440 -2.832 0.000) 3.738 23.790 ( -6.680 -1.362 0.000) 6.817 23.790 ( 6.680 -1.362 0.000) 6.817======================= Grid point 22 (13/90) =======================q-point: ( 0.00 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.254 ( 0.000 -11.727 0.000) 11.727 1.254 ( 0.000 11.727 0.000) 11.727 1.477 ( 0.000 -12.394 0.000) 12.394 1.477 ( 0.000 12.394 0.000) 12.394 2.334 ( 0.000 -49.392 0.000) 49.392 2.334 ( 0.000 49.392 0.000) 49.392 3.015 ( 0.000 -1.240 0.000) 1.240 3.015 ( 0.000 1.240 0.000) 1.240 3.578 ( 0.000 -9.932 0.000) 9.932 3.578 ( 0.000 9.932 0.000) 9.932 3.850 ( 0.000 -13.305 0.000) 13.305 3.850 ( 0.000 13.305 0.000) 13.305 4.212 ( 0.000 -17.726 0.000) 17.726 4.212 ( 0.000 17.726 0.000) 17.726 4.565 ( 0.000 -9.637 0.000) 9.637 4.565 ( 0.000 9.637 0.000) 9.637 5.168 ( 0.000 -9.401 0.000) 9.401 5.168 ( 0.000 9.401 0.000) 9.401 5.307 ( 0.000 -2.455 0.000) 2.455 5.307 ( 0.000 2.455 0.000) 2.455 5.943 ( 0.000 -5.951 0.000) 5.951 5.943 ( 0.000 5.951 0.000) 5.951 5.946 ( 0.000 -16.803 0.000) 16.803 5.946 ( 0.000 16.803 0.000) 16.803 6.586 ( 0.000 -4.939 0.000) 4.939 6.586 ( 0.000 4.939 0.000) 4.939 6.975 ( 0.000 -15.963 0.000) 15.963 6.975 ( 0.000 15.963 0.000) 15.963 7.628 ( 0.000 -0.745 0.000) 0.745 7.628 ( 0.000 0.745 0.000) 0.745 7.738 ( 0.000 -6.733 0.000) 6.733 7.738 ( 0.000 6.733 0.000) 6.733 8.206 ( 0.000 -9.589 0.000) 9.589 8.206 ( 0.000 9.589 0.000) 9.589 9.550 ( 0.000 -4.703 0.000) 4.703 9.550 ( 0.000 4.703 0.000) 4.703 9.765 ( 0.000 -1.451 0.000) 1.451 9.765 ( 0.000 1.451 0.000) 1.451 10.236 ( 0.000 -2.450 0.000) 2.450 10.236 ( 0.000 2.450 0.000) 2.450 10.457 ( 0.000 -2.486 0.000) 2.486 10.457 ( 0.000 2.486 0.000) 2.486 10.469 ( 0.000 -8.483 0.000) 8.483 10.469 ( 0.000 8.483 0.000) 8.483 10.848 ( 0.000 -0.390 0.000) 0.390 10.848 ( 0.000 0.390 0.000) 0.390 10.967 ( 0.000 -2.515 0.000) 2.515 10.967 ( 0.000 2.515 0.000) 2.515 11.018 ( 0.000 -0.260 0.000) 0.260 11.018 ( 0.000 0.260 0.000) 0.260 11.868 ( 0.000 -0.815 0.000) 0.815 11.868 ( 0.000 0.815 0.000) 0.815 12.207 ( 0.000 -12.589 0.000) 12.589 12.207 ( 0.000 12.589 0.000) 12.589 12.799 ( 0.000 -3.978 0.000) 3.978 12.799 ( 0.000 3.978 0.000) 3.978 14.006 ( 0.000 -0.197 0.000) 0.197 14.006 ( 0.000 0.197 0.000) 0.197 14.183 ( 0.000 -0.776 0.000) 0.776 14.183 ( 0.000 0.776 0.000) 0.776 14.776 ( 0.000 -2.725 0.000) 2.725 14.776 ( 0.000 2.725 0.000) 2.725 14.790 ( 0.000 -2.094 0.000) 2.094 14.790 ( 0.000 2.094 0.000) 2.094 15.178 ( 0.000 -1.746 0.000) 1.746 15.178 ( 0.000 1.746 0.000) 1.746 15.564 ( 0.000 -4.901 0.000) 4.901 15.564 ( 0.000 4.901 0.000) 4.901 19.101 ( 0.000 -0.620 0.000) 0.620 19.101 ( 0.000 0.620 0.000) 0.620 19.243 ( 0.000 -0.704 0.000) 0.704 19.243 ( 0.000 0.704 0.000) 0.704 19.981 ( 0.000 -6.732 0.000) 6.732 19.981 ( 0.000 6.732 0.000) 6.732 21.114 ( 0.000 -5.854 0.000) 5.854 21.114 ( 0.000 5.854 0.000) 5.854 21.162 ( 0.000 -0.687 0.000) 0.687 21.162 ( 0.000 0.687 0.000) 0.687 22.112 ( 0.000 -3.321 0.000) 3.321 22.112 ( 0.000 3.321 0.000) 3.321 22.148 ( 0.000 -0.533 0.000) 0.533 22.148 ( 0.000 0.533 0.000) 0.533 22.225 ( 0.000 -0.883 0.000) 0.883 22.225 ( 0.000 0.883 0.000) 0.883======================= Grid point 24 (14/90) =======================q-point: ( 0.10 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.403 ( 13.024 -1.203 0.000) 13.080 1.403 ( 13.024 1.203 0.000) 13.080 1.565 ( 10.748 -0.161 0.000) 10.749 1.565 ( 10.748 0.161 0.000) 10.749 2.561 ( 20.854 -36.597 0.000) 42.122 2.561 ( 20.854 36.597 0.000) 42.122 3.070 ( 4.314 -0.012 0.000) 4.314 3.070 ( 4.314 0.012 0.000) 4.314 3.653 ( 4.144 -9.731 0.000) 10.577 3.653 ( 4.144 9.731 0.000) 10.577 3.948 ( 10.713 -6.602 0.000) 12.584 3.948 ( 10.713 6.602 0.000) 12.584 4.212 ( 0.212 -17.551 0.000) 17.552 4.212 ( 0.212 17.551 0.000) 17.552 4.518 ( -3.942 -8.869 0.000) 9.705 4.518 ( -3.942 8.869 0.000) 9.705 5.125 ( -2.518 -8.533 0.000) 8.897 5.125 ( -2.518 8.533 0.000) 8.897 5.312 ( -0.120 -1.878 0.000) 1.882 5.312 ( -0.120 1.878 0.000) 1.882 5.871 ( -5.670 -4.764 0.000) 7.406 5.871 ( -5.670 4.764 0.000) 7.406 6.037 ( 5.633 -12.490 0.000) 13.702 6.037 ( 5.633 12.490 0.000) 13.702 6.481 ( -10.352 -4.761 0.000) 11.394 6.481 ( -10.352 4.761 0.000) 11.394 6.871 ( -6.150 -9.689 0.000) 11.476 6.871 ( -6.150 9.689 0.000) 11.476 7.641 ( -8.609 -10.259 0.000) 13.393 7.641 ( -8.609 10.259 0.000) 13.393 7.747 ( 8.321 -0.110 0.000) 8.321 7.747 ( 8.321 0.110 0.000) 8.321 8.245 ( 2.684 -10.200 0.000) 10.547 8.245 ( 2.684 10.200 0.000) 10.547 9.529 ( -1.407 -3.717 0.000) 3.974 9.529 ( -1.407 3.717 0.000) 3.974 9.760 ( -1.776 -1.165 0.000) 2.124 9.760 ( -1.776 1.165 0.000) 2.124 10.095 ( -7.004 -0.820 0.000) 7.052 10.095 ( -7.004 0.820 0.000) 7.052 10.364 ( -1.509 -5.457 0.000) 5.662 10.364 ( -1.509 5.457 0.000) 5.662 10.550 ( -0.131 -14.902 0.000) 14.903 10.550 ( -0.131 14.902 0.000) 14.903 10.881 ( 7.047 -0.108 0.000) 7.047 10.881 ( 7.047 0.108 0.000) 7.047 11.038 ( 1.869 -0.173 0.000) 1.877 11.038 ( 1.869 0.173 0.000) 1.877 11.266 ( 20.912 -0.925 0.000) 20.933 11.266 ( 20.912 0.925 0.000) 20.933 11.927 ( 4.467 -0.327 0.000) 4.479 11.927 ( 4.467 0.327 0.000) 4.479 12.105 ( -8.483 -7.598 0.000) 11.388 12.105 ( -8.483 7.598 0.000) 11.388 12.715 ( -7.709 -2.108 0.000) 7.993 12.715 ( -7.709 2.108 0.000) 7.993 13.777 ( -22.467 -8.514 0.000) 24.026 13.777 ( -22.467 8.514 0.000) 24.026 14.200 ( 1.228 -0.468 0.000) 1.314 14.200 ( 1.228 0.468 0.000) 1.314 14.607 ( -10.253 -1.002 0.000) 10.302 14.607 ( -10.253 1.002 0.000) 10.302 14.707 ( -8.864 -0.031 0.000) 8.864 14.707 ( -8.864 0.031 0.000) 8.864 15.133 ( -3.323 -1.231 0.000) 3.543 15.133 ( -3.323 1.231 0.000) 3.543 15.662 ( 6.058 -4.804 0.000) 7.731 15.662 ( 6.058 4.804 0.000) 7.731 19.117 ( 1.422 -0.001 0.000) 1.422 19.117 ( 1.422 0.001 0.000) 1.422 19.257 ( 1.381 -0.066 0.000) 1.383 19.257 ( 1.381 0.066 0.000) 1.383 19.974 ( -0.719 -6.313 0.000) 6.354 19.974 ( -0.719 6.313 0.000) 6.354 20.344 ( -30.054 -1.878 0.000) 30.113 20.344 ( -30.054 1.878 0.000) 30.113 21.769 ( 9.177 -1.558 0.000) 9.308 21.769 ( 9.177 1.558 0.000) 9.308 22.024 ( -2.255 -0.567 0.000) 2.325 22.024 ( -2.255 0.567 0.000) 2.325 22.191 ( 5.584 -3.484 0.000) 6.582 22.191 ( 5.584 3.484 0.000) 6.582 22.622 ( 32.894 -6.973 0.000) 33.625 22.622 ( 32.894 6.973 0.000) 33.625======================= Grid point 26 (15/90) =======================q-point: ( 0.20 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.722 ( 19.723 -11.235 0.000) 22.698 1.722 ( 19.723 11.235 0.000) 22.698 1.899 ( 21.282 -7.695 0.000) 22.630 1.899 ( 21.282 7.695 0.000) 22.630 3.007 ( 17.876 -13.982 0.000) 22.695 3.007 ( 17.876 13.982 0.000) 22.695 3.154 ( 7.236 -0.000 0.000) 7.236 3.154 ( 7.236 0.000 0.000) 7.236 3.712 ( 3.013 -14.051 0.000) 14.370 3.712 ( 3.013 14.051 0.000) 14.370 4.127 ( 4.444 -1.206 0.000) 4.604 4.127 ( 4.444 1.206 0.000) 4.604 4.192 ( -5.234 -6.832 0.000) 8.606 4.192 ( -5.234 6.832 0.000) 8.606 4.537 ( 9.307 -0.198 0.000) 9.309 4.537 ( 9.307 0.198 0.000) 9.309 5.115 ( 2.060 -8.713 0.000) 8.954 5.115 ( 2.060 8.713 0.000) 8.954 5.299 ( -0.908 -0.429 0.000) 1.004 5.299 ( -0.908 0.429 0.000) 1.004 5.718 ( -10.172 -2.931 0.000) 10.586 5.718 ( -10.172 2.931 0.000) 10.586 6.044 ( -7.049 -0.513 0.000) 7.068 6.044 ( -7.049 0.513 0.000) 7.068 6.307 ( -3.482 -10.792 0.000) 11.340 6.307 ( -3.482 10.792 0.000) 11.340 6.811 ( -0.252 -9.208 0.000) 9.212 6.811 ( -0.252 9.208 0.000) 9.212 7.446 ( -10.051 -14.770 0.000) 17.865 7.446 ( -10.051 14.770 0.000) 17.865 7.863 ( 2.791 -0.227 0.000) 2.800 7.863 ( 2.791 0.227 0.000) 2.800 8.267 ( -1.009 -9.888 0.000) 9.940 8.267 ( -1.009 9.888 0.000) 9.940 9.524 ( 1.030 -4.560 0.000) 4.675 9.524 ( 1.030 4.560 0.000) 4.675 9.704 ( -1.588 -7.850 0.000) 8.009 9.704 ( -1.588 7.850 0.000) 8.009 10.086 ( 3.532 -5.360 0.000) 6.419 10.086 ( 3.532 5.360 0.000) 6.419 10.358 ( 0.528 -5.194 0.000) 5.221 10.358 ( 0.528 5.194 0.000) 5.221 10.536 ( 0.451 -12.007 0.000) 12.015 10.536 ( 0.451 12.007 0.000) 12.015 11.053 ( 5.608 -1.606 0.000) 5.834 11.053 ( 5.608 1.606 0.000) 5.834 11.108 ( 8.851 -0.023 0.000) 8.851 11.108 ( 8.851 0.023 0.000) 8.851 11.652 ( 16.987 -0.011 0.000) 16.987 11.652 ( 16.987 0.011 0.000) 16.987 11.791 ( -14.180 -0.126 0.000) 14.181 11.791 ( -14.180 0.126 0.000) 14.181 12.151 ( 10.068 -1.529 0.000) 10.183 12.151 ( 10.068 1.529 0.000) 10.183 12.526 ( -11.264 -0.184 0.000) 11.266 12.526 ( -11.264 0.184 0.000) 11.266 13.269 ( -25.582 -16.954 0.000) 30.689 13.269 ( -25.582 16.954 0.000) 30.689 14.175 ( -6.819 -0.198 0.000) 6.822 14.175 ( -6.819 0.198 0.000) 6.822 14.402 ( -11.478 -2.828 0.000) 11.821 14.402 ( -11.478 2.828 0.000) 11.821 14.529 ( -5.490 -0.112 0.000) 5.492 14.529 ( -5.490 0.112 0.000) 5.492 15.108 ( 0.878 -0.487 0.000) 1.004 15.108 ( 0.878 0.487 0.000) 1.004 15.720 ( -0.487 -0.802 0.000) 0.939 15.720 ( -0.487 0.802 0.000) 0.939 19.151 ( 1.977 -1.369 0.000) 2.405 19.151 ( 1.977 1.369 0.000) 2.405 19.295 ( 2.306 -0.001 0.000) 2.306 19.295 ( 2.306 0.001 0.000) 2.306 19.929 ( -10.350 -2.856 0.000) 10.737 19.929 ( -10.350 2.856 0.000) 10.737 19.963 ( -4.247 -3.359 0.000) 5.415 19.963 ( -4.247 3.359 0.000) 5.415 21.748 ( -4.582 -0.248 0.000) 4.588 21.748 ( -4.582 0.248 0.000) 4.588 22.022 ( 0.379 -0.642 0.000) 0.746 22.022 ( 0.379 0.642 0.000) 0.746 22.296 ( 4.241 -4.384 0.000) 6.100 22.296 ( 4.241 4.384 0.000) 6.100 23.218 ( 24.147 -11.456 0.000) 26.727 23.218 ( 24.147 11.456 0.000) 26.727======================= Grid point 28 (16/90) =======================q-point: ( 0.30 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.147 ( 22.175 -2.867 0.000) 22.360 2.147 ( 22.175 2.867 0.000) 22.360 2.340 ( 22.669 -4.259 0.000) 23.066 2.340 ( 22.669 4.259 0.000) 23.066 3.051 ( -4.322 -6.757 0.000) 8.021 3.051 ( -4.322 6.757 0.000) 8.021 3.473 ( 15.299 -1.588 0.000) 15.381 3.473 ( 15.299 1.588 0.000) 15.381 3.763 ( 1.396 -17.445 0.000) 17.501 3.763 ( 1.396 17.445 0.000) 17.501 4.016 ( -10.999 -0.589 0.000) 11.015 4.016 ( -10.999 0.589 0.000) 11.015 4.216 ( 6.512 -0.399 0.000) 6.524 4.216 ( 6.512 0.399 0.000) 6.524 4.741 ( 8.520 -0.000 0.000) 8.520 4.741 ( 8.520 0.000 0.000) 8.520 5.160 ( -1.398 -6.588 0.000) 6.735 5.160 ( -1.398 6.588 0.000) 6.735 5.331 ( 6.705 -0.525 0.000) 6.726 5.331 ( 6.705 0.525 0.000) 6.726 5.463 ( -14.997 -0.926 0.000) 15.026 5.463 ( -14.997 0.926 0.000) 15.026 5.919 ( -2.507 -7.844 0.000) 8.235 5.919 ( -2.507 7.844 0.000) 8.235 6.271 ( -2.117 -5.681 0.000) 6.063 6.271 ( -2.117 5.681 0.000) 6.063 6.837 ( 2.268 -6.839 0.000) 7.205 6.837 ( 2.268 6.839 0.000) 7.205 7.285 ( -5.825 -11.497 0.000) 12.889 7.285 ( -5.825 11.497 0.000) 12.889 7.870 ( -1.114 -0.042 0.000) 1.115 7.870 ( -1.114 0.042 0.000) 1.115 8.199 ( -5.747 -10.403 0.000) 11.885 8.199 ( -5.747 10.403 0.000) 11.885 9.557 ( 2.159 -5.728 0.000) 6.122 9.557 ( 2.159 5.728 0.000) 6.122 9.735 ( 4.186 -8.466 0.000) 9.444 9.735 ( 4.186 8.466 0.000) 9.444 10.137 ( 0.391 -9.916 0.000) 9.923 10.137 ( 0.391 9.916 0.000) 9.923 10.375 ( 1.729 -4.544 0.000) 4.861 10.375 ( 1.729 4.544 0.000) 4.861 10.616 ( 7.492 -8.116 0.000) 11.046 10.616 ( 7.492 8.116 0.000) 11.046 11.097 ( 0.806 -0.100 0.000) 0.812 11.097 ( 0.806 0.100 0.000) 0.812 11.343 ( 9.988 -0.090 0.000) 9.988 11.343 ( 9.988 0.090 0.000) 9.988 11.506 ( -10.412 -0.473 0.000) 10.423 11.506 ( -10.412 0.473 0.000) 10.423 11.946 ( 11.630 -0.021 0.000) 11.630 11.946 ( 11.630 0.021 0.000) 11.630 12.264 ( -12.000 -1.058 0.000) 12.046 12.264 ( -12.000 1.058 0.000) 12.046 12.359 ( 6.754 -0.228 0.000) 6.758 12.359 ( 6.754 0.228 0.000) 6.758 12.862 ( -14.880 -12.732 0.000) 19.583 12.862 ( -14.880 12.732 0.000) 19.583 13.872 ( -19.454 -7.719 0.000) 20.929 13.872 ( -19.454 7.719 0.000) 20.929 14.288 ( -2.181 -2.786 0.000) 3.538 14.288 ( -2.181 2.786 0.000) 3.538 14.455 ( -3.184 -0.172 0.000) 3.189 14.455 ( -3.184 0.172 0.000) 3.189 15.154 ( 3.462 -0.042 0.000) 3.462 15.154 ( 3.462 0.042 0.000) 3.462 15.652 ( -5.855 -2.014 0.000) 6.192 15.652 ( -5.855 2.014 0.000) 6.192 19.191 ( 2.039 -2.128 0.000) 2.947 19.191 ( 2.039 2.128 0.000) 2.947 19.339 ( 1.967 -0.050 0.000) 1.968 19.339 ( 1.967 0.050 0.000) 1.968 19.758 ( -5.894 -1.096 0.000) 5.995 19.758 ( -5.894 1.096 0.000) 5.995 19.926 ( -1.673 -3.248 0.000) 3.654 19.926 ( -1.673 3.248 0.000) 3.654 21.668 ( -3.239 -0.364 0.000) 3.260 21.668 ( -3.239 0.364 0.000) 3.260 22.028 ( 0.249 -0.368 0.000) 0.445 22.028 ( 0.249 0.368 0.000) 0.445 22.352 ( 1.567 -4.290 0.000) 4.567 22.352 ( 1.567 4.290 0.000) 4.567 23.564 ( 12.077 -8.115 0.000) 14.550 23.564 ( 12.077 8.115 0.000) 14.550======================= Grid point 30 (17/90) =======================q-point: ( 0.40 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.533 ( 15.565 -1.635 0.000) 15.651 2.533 ( 15.565 1.635 0.000) 15.651 2.755 ( 18.579 -0.138 0.000) 18.579 2.755 ( 18.579 0.138 0.000) 18.579 2.952 ( -4.598 -4.539 0.000) 6.461 2.952 ( -4.598 4.539 0.000) 6.461 3.607 ( -1.023 -3.485 0.000) 3.632 3.607 ( -1.023 3.485 0.000) 3.632 3.779 ( -12.305 -2.881 0.000) 12.638 3.779 ( -12.305 2.881 0.000) 12.638 3.844 ( 7.354 -5.475 0.000) 9.169 3.844 ( 7.354 5.475 0.000) 9.169 4.380 ( 9.101 -3.088 0.000) 9.611 4.380 ( 9.101 3.088 0.000) 9.611 4.855 ( 1.739 -0.000 0.000) 1.739 4.855 ( 1.739 0.000 0.000) 1.739 5.043 ( -7.591 -2.423 0.000) 7.968 5.043 ( -7.591 2.423 0.000) 7.968 5.211 ( -8.979 -6.133 0.000) 10.873 5.211 ( -8.979 6.133 0.000) 10.873 5.477 ( 5.421 -0.002 0.000) 5.421 5.477 ( 5.421 0.002 0.000) 5.421 5.955 ( 5.106 -8.726 0.000) 10.110 5.955 ( 5.106 8.726 0.000) 10.110 6.217 ( -3.137 -1.647 0.000) 3.543 6.217 ( -3.137 1.647 0.000) 3.543 6.883 ( 2.085 -2.382 0.000) 3.166 6.883 ( 2.085 2.382 0.000) 3.166 7.220 ( -1.210 -5.811 0.000) 5.936 7.220 ( -1.210 5.811 0.000) 5.936 7.856 ( 0.545 -3.055 0.000) 3.103 7.856 ( 0.545 3.055 0.000) 3.103 8.059 ( -7.948 -11.647 0.000) 14.100 8.059 ( -7.948 11.647 0.000) 14.100 9.601 ( 1.962 -4.779 0.000) 5.166 9.601 ( 1.962 4.779 0.000) 5.166 9.836 ( 5.581 -6.371 0.000) 8.470 9.836 ( 5.581 6.371 0.000) 8.470 10.093 ( -4.180 -8.410 0.000) 9.392 10.093 ( -4.180 8.410 0.000) 9.392 10.446 ( 5.034 -4.060 0.000) 6.468 10.446 ( 5.034 4.060 0.000) 6.468 10.774 ( 6.970 -6.594 0.000) 9.595 10.774 ( 6.970 6.594 0.000) 9.595 11.091 ( -1.394 -0.529 0.000) 1.491 11.091 ( -1.394 0.529 0.000) 1.491 11.214 ( -10.377 -0.567 0.000) 10.393 11.214 ( -10.377 0.567 0.000) 10.393 11.648 ( 11.846 -0.032 0.000) 11.846 11.648 ( 11.846 0.032 0.000) 11.846 11.997 ( -8.337 -2.121 0.000) 8.603 11.997 ( -8.337 2.121 0.000) 8.603 12.148 ( 4.918 -1.034 0.000) 5.026 12.148 ( 4.918 1.034 0.000) 5.026 12.458 ( 2.604 -0.281 0.000) 2.619 12.458 ( 2.604 0.281 0.000) 2.619 12.666 ( -7.091 -8.079 0.000) 10.750 12.666 ( -7.091 8.079 0.000) 10.750 13.544 ( -12.069 -9.753 0.000) 15.517 13.544 ( -12.069 9.753 0.000) 15.517 14.272 ( 0.545 -0.104 0.000) 0.554 14.272 ( 0.545 0.104 0.000) 0.554 14.388 ( -3.686 -0.040 0.000) 3.687 14.388 ( -3.686 0.040 0.000) 3.687 15.238 ( 5.148 -1.173 0.000) 5.280 15.238 ( 5.148 1.173 0.000) 5.280 15.513 ( -7.769 -3.329 0.000) 8.452 15.513 ( -7.769 3.329 0.000) 8.452 19.227 ( 1.439 -1.692 0.000) 2.221 19.227 ( 1.439 1.692 0.000) 2.221 19.367 ( 0.912 -0.178 0.000) 0.929 19.367 ( 0.912 0.178 0.000) 0.929 19.680 ( -2.339 -0.503 0.000) 2.392 19.680 ( -2.339 0.503 0.000) 2.392 19.896 ( -1.232 -1.410 0.000) 1.873 19.896 ( -1.232 1.410 0.000) 1.873 21.624 ( -1.357 -0.317 0.000) 1.394 21.624 ( -1.357 0.317 0.000) 1.394 22.033 ( 0.251 -0.218 0.000) 0.332 22.033 ( 0.251 0.218 0.000) 0.332 22.366 ( 0.125 -2.721 0.000) 2.723 22.366 ( 0.125 2.721 0.000) 2.723 23.725 ( 4.926 -3.899 0.000) 6.282 23.725 ( 4.926 3.899 0.000) 6.282======================= Grid point 32 (18/90) =======================q-point: (-0.50 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.698 ( 0.000 0.000 0.000) 0.000 2.698 ( 0.000 0.000 0.000) 0.000 2.897 ( 0.000 0.000 0.000) 0.000 2.897 ( 0.000 0.000 0.000) 0.000 2.980 ( -0.000 0.000 0.000) 0.000 2.980 ( 0.000 0.000 0.000) 0.000 3.578 ( -0.000 0.000 0.000) 0.000 3.578 ( -0.000 0.000 0.000) 0.000 3.618 ( 0.000 0.000 0.000) 0.000 3.618 ( 0.000 0.000 0.000) 0.000 3.936 ( 0.000 -0.000 0.000) 0.000 3.936 ( 0.000 0.000 0.000) 0.000 4.507 ( 0.000 0.000 0.000) 0.000 4.507 ( 0.000 0.000 0.000) 0.000 4.785 ( 0.000 -0.000 0.000) 0.000 4.785 ( 0.000 0.000 0.000) 0.000 5.020 ( 0.000 0.000 0.000) 0.000 5.020 ( 0.000 0.000 0.000) 0.000 5.106 ( -0.000 -0.000 0.000) 0.000 5.106 ( 0.000 0.000 0.000) 0.000 5.527 ( 0.000 0.000 0.000) 0.000 5.527 ( 0.000 0.000 0.000) 0.000 6.036 ( 0.000 -0.000 0.000) 0.000 6.036 ( 0.000 -0.000 0.000) 0.000 6.169 ( 0.000 0.000 0.000) 0.000 6.169 ( 0.000 0.000 0.000) 0.000 6.905 ( 0.000 0.000 0.000) 0.000 6.905 ( 0.000 0.000 0.000) 0.000 7.213 ( 0.000 0.000 0.000) 0.000 7.213 ( 0.000 0.000 0.000) 0.000 7.904 ( -0.000 -0.000 0.000) 0.000 7.904 ( 0.000 -0.000 0.000) 0.000 7.929 ( -0.000 0.000 0.000) 0.000 7.929 ( 0.000 0.000 0.000) 0.000 9.622 ( 0.000 -0.000 0.000) 0.000 9.622 ( 0.000 -0.000 0.000) 0.000 9.918 ( 0.000 0.000 0.000) 0.000 9.918 ( 0.000 0.000 0.000) 0.000 10.023 ( 0.000 0.000 0.000) 0.000 10.023 ( 0.000 0.000 0.000) 0.000 10.515 ( 0.000 -0.000 0.000) 0.000 10.515 ( 0.000 0.000 0.000) 0.000 10.843 ( 0.000 -0.000 0.000) 0.000 10.843 ( 0.000 0.000 0.000) 0.000 11.060 ( 0.000 0.000 0.000) 0.000 11.060 ( 0.000 0.000 0.000) 0.000 11.110 ( 0.000 0.000 0.000) 0.000 11.110 ( 0.000 0.000 0.000) 0.000 11.777 ( 0.000 0.000 0.000) 0.000 11.777 ( 0.000 0.000 0.000) 0.000 11.912 ( 0.000 0.000 0.000) 0.000 11.912 ( 0.000 0.000 0.000) 0.000 12.205 ( 0.000 0.000 0.000) 0.000 12.205 ( 0.000 0.000 0.000) 0.000 12.516 ( 0.000 0.000 0.000) 0.000 12.516 ( 0.000 0.000 0.000) 0.000 12.543 ( -0.000 0.000 0.000) 0.000 12.543 ( -0.000 0.000 0.000) 0.000 13.429 ( 0.000 0.000 0.000) 0.000 13.429 ( 0.000 0.000 0.000) 0.000 14.299 ( -0.000 0.000 0.000) 0.000 14.299 ( -0.000 0.000 0.000) 0.000 14.328 ( 0.000 0.000 0.000) 0.000 14.328 ( 0.000 0.000 0.000) 0.000 15.337 ( 0.000 -0.000 0.000) 0.000 15.337 ( 0.000 0.000 0.000) 0.000 15.385 ( 0.000 0.000 0.000) 0.000 15.385 ( 0.000 0.000 0.000) 0.000 19.242 ( 0.000 -0.000 0.000) 0.000 19.242 ( 0.000 0.000 0.000) 0.000 19.376 ( 0.000 -0.000 0.000) 0.000 19.376 ( 0.000 0.000 0.000) 0.000 19.658 ( 0.000 0.000 0.000) 0.000 19.658 ( 0.000 0.000 0.000) 0.000 19.883 ( 0.000 0.000 0.000) 0.000 19.883 ( 0.000 0.000 0.000) 0.000 21.611 ( 0.000 0.000 0.000) 0.000 21.611 ( 0.000 0.000 0.000) 0.000 22.036 ( 0.000 0.000 0.000) 0.000 22.036 ( 0.000 0.000 0.000) 0.000 22.365 ( 0.000 -0.000 0.000) 0.000 22.365 ( 0.000 -0.000 0.000) 0.000 23.771 ( 0.000 -0.000 0.000) 0.000 23.771 ( 0.000 0.000 0.000) 0.000======================= Grid point 55 (19/90) =======================q-point: ( 0.00 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.656 ( 0.000 0.000 31.764) 31.764 0.723 ( 0.000 0.000 33.101) 33.101 1.251 ( 0.000 0.000 57.435) 57.435 2.442 ( 0.000 0.000 6.758) 6.758 2.444 ( 0.000 0.000 9.465) 9.465 2.546 ( 0.000 0.000 4.001) 4.001 2.893 ( 0.000 0.000 5.571) 5.571 3.340 ( 0.000 0.000 -6.249) 6.249 3.603 ( 0.000 0.000 9.018) 9.018 3.766 ( 0.000 0.000 -2.817) 2.817 3.856 ( 0.000 0.000 -1.945) 1.945 3.872 ( 0.000 0.000 13.973) 13.973 4.326 ( 0.000 0.000 2.914) 2.914 4.735 ( 0.000 0.000 5.636) 5.636 4.823 ( 0.000 0.000 -3.850) 3.850 5.058 ( 0.000 0.000 3.108) 3.108 5.115 ( 0.000 0.000 -3.518) 3.518 5.115 ( 0.000 0.000 -5.821) 5.821 5.273 ( 0.000 0.000 -1.298) 1.298 5.372 ( 0.000 0.000 -1.103) 1.103 5.572 ( 0.000 0.000 9.002) 9.002 5.691 ( 0.000 0.000 -9.388) 9.388 5.714 ( 0.000 0.000 0.485) 0.485 6.117 ( 0.000 0.000 0.862) 0.862 6.266 ( 0.000 0.000 -6.382) 6.382 6.374 ( 0.000 0.000 -12.115) 12.115 6.514 ( 0.000 0.000 0.966) 0.966 6.761 ( 0.000 0.000 5.275) 5.275 7.369 ( 0.000 0.000 -4.819) 4.819 7.753 ( 0.000 0.000 5.085) 5.085 7.847 ( 0.000 0.000 7.152) 7.152 7.889 ( 0.000 0.000 -0.975) 0.975 7.944 ( 0.000 0.000 -1.357) 1.357 8.515 ( 0.000 0.000 4.392) 4.392 9.562 ( 0.000 0.000 5.369) 5.369 9.647 ( 0.000 0.000 -5.781) 5.781 9.654 ( 0.000 0.000 -8.114) 8.114 9.911 ( 0.000 0.000 2.580) 2.580 10.004 ( 0.000 0.000 7.230) 7.230 10.137 ( 0.000 0.000 -3.075) 3.075 10.277 ( 0.000 0.000 -3.488) 3.488 10.337 ( 0.000 0.000 3.257) 3.257 10.347 ( 0.000 0.000 10.606) 10.606 10.696 ( 0.000 0.000 -3.330) 3.330 11.031 ( 0.000 0.000 -1.005) 1.005 11.046 ( 0.000 0.000 1.940) 1.940 11.047 ( 0.000 0.000 1.596) 1.596 11.126 ( 0.000 0.000 9.332) 9.332 11.145 ( 0.000 0.000 2.149) 2.149 11.269 ( 0.000 0.000 1.373) 1.373 11.648 ( 0.000 0.000 -3.104) 3.104 11.826 ( 0.000 0.000 -1.836) 1.836 11.882 ( 0.000 0.000 -0.739) 0.739 12.418 ( 0.000 0.000 -10.940) 10.940 12.764 ( 0.000 0.000 -12.309) 12.309 12.882 ( 0.000 0.000 9.395) 9.395 13.049 ( 0.000 0.000 -5.870) 5.870 14.003 ( 0.000 0.000 0.309) 0.309 14.016 ( 0.000 0.000 0.348) 0.348 14.098 ( 0.000 0.000 -10.972) 10.972 14.467 ( 0.000 0.000 -0.435) 0.435 14.608 ( 0.000 0.000 -7.816) 7.816 14.627 ( 0.000 0.000 -6.428) 6.428 14.642 ( 0.000 0.000 -16.858) 16.858 15.279 ( 0.000 0.000 5.691) 5.691 15.303 ( 0.000 0.000 -2.933) 2.933 15.415 ( 0.000 0.000 5.295) 5.295 16.088 ( 0.000 0.000 -4.526) 4.526 19.089 ( 0.000 0.000 0.543) 0.543 19.247 ( 0.000 0.000 1.959) 1.959 19.315 ( 0.000 0.000 4.681) 4.681 19.711 ( 0.000 0.000 0.106) 0.106 19.776 ( 0.000 0.000 -2.977) 2.977 20.099 ( 0.000 0.000 1.200) 1.200 20.187 ( 0.000 0.000 0.147) 0.147 20.606 ( 0.000 0.000 -19.125) 19.125 21.509 ( 0.000 0.000 18.099) 18.099 21.937 ( 0.000 0.000 1.448) 1.448 22.005 ( 0.000 0.000 0.413) 0.413 22.104 ( 0.000 0.000 -0.669) 0.669 22.185 ( 0.000 0.000 2.143) 2.143 22.251 ( 0.000 0.000 6.634) 6.634 22.267 ( 0.000 0.000 2.954) 2.954 23.004 ( 0.000 0.000 -2.663) 2.663======================= Grid point 56 (20/90) =======================q-point: ( 0.10 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.941 ( 24.337 0.000 21.892) 32.734 1.043 ( 24.017 0.000 24.739) 34.479 1.700 ( 40.431 0.000 35.407) 53.743 2.488 ( 7.028 0.000 8.167) 10.775 2.527 ( 8.215 0.000 4.832) 9.530 2.610 ( 6.023 0.000 3.495) 6.964 2.854 ( -3.010 0.000 4.770) 5.640 3.310 ( -2.963 0.000 -6.574) 7.211 3.749 ( -0.856 0.000 -2.858) 2.984 3.785 ( -4.473 0.000 11.682) 12.509 3.865 ( 16.551 0.000 0.040) 16.551 3.930 ( 3.516 0.000 0.885) 3.626 4.291 ( -3.631 0.000 1.420) 3.899 4.650 ( -5.777 0.000 9.164) 10.833 4.812 ( -1.023 0.000 -3.077) 3.243 4.932 ( -9.264 0.000 8.546) 12.604 5.063 ( -0.492 0.000 0.551) 0.739 5.206 ( 9.093 0.000 -0.615) 9.113 5.255 ( -4.054 0.000 -4.019) 5.708 5.348 ( -1.132 0.000 -2.586) 2.822 5.426 ( -8.402 0.000 -1.345) 8.509 5.640 ( 5.726 0.000 9.098) 10.750 5.676 ( -3.999 0.000 1.367) 4.226 6.078 ( -3.883 0.000 0.806) 3.966 6.350 ( -2.396 0.000 -10.047) 10.329 6.504 ( 3.773 0.000 0.454) 3.800 6.701 ( -5.974 0.000 3.334) 6.842 6.868 ( 18.722 0.000 -28.099) 33.765 7.326 ( -2.314 0.000 -7.054) 7.423 7.688 ( -4.882 0.000 2.524) 5.496 7.832 ( -0.350 0.000 6.144) 6.154 7.914 ( 0.878 0.000 -0.307) 0.930 8.016 ( 5.159 0.000 -0.170) 5.161 8.598 ( 5.473 0.000 -4.514) 7.094 9.525 ( -3.077 0.000 5.788) 6.555 9.585 ( -4.330 0.000 -5.595) 7.075 9.665 ( -4.013 0.000 -3.469) 5.304 9.916 ( 0.829 0.000 3.475) 3.572 9.978 ( -6.640 0.000 0.986) 6.713 10.057 ( 2.633 0.000 2.156) 3.403 10.117 ( -7.470 0.000 -1.339) 7.589 10.257 ( 0.403 0.000 2.652) 2.683 10.460 ( 4.775 0.000 -1.666) 5.057 10.883 ( 4.756 0.000 -10.473) 11.502 10.934 ( 1.473 0.000 2.212) 2.658 11.050 ( 2.550 0.000 0.281) 2.565 11.112 ( 0.327 0.000 6.721) 6.728 11.212 ( 1.974 0.000 5.528) 5.870 11.316 ( 9.976 0.000 3.960) 10.733 11.357 ( 13.988 0.000 4.767) 14.778 11.645 ( 1.686 0.000 -1.142) 2.037 11.891 ( 6.358 0.000 -2.036) 6.677 11.968 ( 8.236 0.000 -1.157) 8.317 12.077 ( -21.342 0.000 16.748) 27.129 12.679 ( -7.768 0.000 -6.919) 10.403 12.765 ( -4.293 0.000 11.394) 12.176 12.910 ( -13.212 0.000 -4.404) 13.927 13.823 ( -13.854 0.000 -5.634) 14.956 14.142 ( 5.397 0.000 -2.742) 6.054 14.170 ( 2.140 0.000 -5.248) 5.668 14.363 ( -7.351 0.000 -6.658) 9.918 14.463 ( -6.686 0.000 -11.815) 13.576 14.761 ( 4.967 0.000 -4.452) 6.670 14.764 ( 4.838 0.000 -6.859) 8.394 15.090 ( -16.295 0.000 -3.923) 16.760 15.136 ( -9.435 0.000 2.760) 9.830 15.538 ( 7.418 0.000 2.293) 7.764 15.923 ( -10.919 0.000 2.049) 11.110 19.117 ( 2.652 0.000 0.144) 2.656 19.235 ( -1.404 0.000 4.105) 4.339 19.331 ( 1.752 0.000 5.183) 5.471 19.495 ( -18.962 0.000 7.420) 20.362 19.704 ( -0.705 0.000 -0.355) 0.790 19.802 ( -0.796 0.000 -0.100) 0.802 20.172 ( -1.567 0.000 0.775) 1.748 20.764 ( -33.665 0.000 22.903) 40.717 21.319 ( 28.978 0.000 -21.112) 35.853 21.883 ( -4.673 0.000 1.601) 4.939 21.952 ( -9.761 0.000 0.207) 9.764 22.009 ( -0.605 0.000 0.949) 1.125 22.235 ( 3.267 0.000 4.921) 5.907 22.343 ( 10.557 0.000 -0.412) 10.565 22.366 ( 7.246 0.000 1.713) 7.446 23.710 ( 28.223 0.000 -22.151) 35.878======================= Grid point 57 (21/90) =======================q-point: ( 0.20 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.476 ( 28.489 0.000 13.329) 31.453 1.542 ( 25.937 0.000 16.575) 30.781 2.568 ( 41.441 0.000 12.644) 43.327 2.645 ( 6.375 0.000 4.273) 7.675 2.714 ( 7.274 0.000 -1.846) 7.504 2.774 ( 12.540 0.000 2.266) 12.743 2.842 ( 5.137 0.000 4.147) 6.602 3.243 ( -3.033 0.000 -6.198) 6.900 3.705 ( -2.891 0.000 15.255) 15.526 3.709 ( -2.560 0.000 -0.707) 2.656 3.985 ( -0.141 0.000 3.287) 3.290 4.167 ( 14.010 0.000 -0.993) 14.045 4.214 ( -1.877 0.000 -6.609) 6.870 4.626 ( 3.318 0.000 9.874) 10.416 4.770 ( -3.631 0.000 -3.017) 4.720 4.800 ( -5.377 0.000 4.667) 7.120 5.034 ( -2.468 0.000 2.573) 3.565 5.138 ( -6.320 0.000 -3.744) 7.345 5.309 ( -4.128 0.000 -0.128) 4.130 5.350 ( 1.631 0.000 -6.601) 6.800 5.407 ( 8.343 0.000 -1.878) 8.552 5.549 ( -8.290 0.000 3.782) 9.112 5.774 ( 6.725 0.000 7.874) 10.355 5.973 ( -6.310 0.000 1.402) 6.464 6.285 ( -3.908 0.000 -4.584) 6.024 6.546 ( -8.922 0.000 -0.783) 8.956 6.577 ( 3.885 0.000 0.544) 3.923 6.916 ( -6.740 0.000 -4.376) 8.036 7.334 ( 0.481 0.000 -16.139) 16.146 7.606 ( -2.981 0.000 -1.654) 3.409 7.844 ( 0.819 0.000 6.718) 6.768 7.888 ( -3.483 0.000 -0.169) 3.487 8.081 ( 0.970 0.000 -0.290) 1.012 8.652 ( -0.231 0.000 -6.684) 6.688 9.435 ( -8.659 0.000 5.870) 10.462 9.486 ( 0.214 0.000 5.654) 5.658 9.567 ( -3.271 0.000 -4.693) 5.720 9.955 ( 3.258 0.000 4.379) 5.458 9.978 ( 3.544 0.000 -7.476) 8.274 10.028 ( -2.261 0.000 -6.229) 6.626 10.143 ( 4.595 0.000 1.461) 4.822 10.335 ( 7.348 0.000 2.372) 7.721 10.525 ( 2.301 0.000 -9.255) 9.537 10.878 ( -2.096 0.000 -10.104) 10.320 11.032 ( 4.189 0.000 3.480) 5.445 11.082 ( -0.183 0.000 -2.226) 2.233 11.121 ( 2.832 0.000 7.670) 8.176 11.265 ( 4.904 0.000 7.961) 9.350 11.367 ( -1.025 0.000 0.525) 1.151 11.711 ( 18.035 0.000 4.973) 18.708 11.754 ( 0.978 0.000 13.765) 13.799 11.843 ( 1.233 0.000 6.970) 7.078 12.054 ( 9.401 0.000 -3.219) 9.937 12.175 ( 11.949 0.000 -1.502) 12.043 12.509 ( -8.674 0.000 -2.509) 9.030 12.588 ( -17.882 0.000 -0.672) 17.895 12.685 ( -4.066 0.000 12.789) 13.420 13.510 ( -16.878 0.000 -4.529) 17.475 14.079 ( -21.683 0.000 -10.007) 23.881 14.127 ( -6.465 0.000 -7.395) 9.822 14.212 ( 0.060 0.000 -1.698) 1.699 14.376 ( -2.925 0.000 -7.814) 8.343 14.638 ( -10.567 0.000 8.501) 13.562 14.772 ( -5.853 0.000 5.346) 7.927 14.982 ( 2.814 0.000 -12.836) 13.141 15.009 ( -0.819 0.000 -7.096) 7.143 15.644 ( 2.728 0.000 -2.290) 3.562 15.723 ( -9.788 0.000 0.168) 9.790 19.183 ( 3.862 0.000 -0.974) 3.983 19.189 ( -2.558 0.000 5.144) 5.745 19.321 ( -2.944 0.000 0.087) 2.945 19.388 ( 4.100 0.000 6.667) 7.826 19.681 ( -1.619 0.000 -1.662) 2.320 19.797 ( -0.129 0.000 -0.872) 0.881 20.126 ( -3.120 0.000 2.528) 4.015 20.251 ( -18.908 0.000 15.490) 24.443 21.696 ( 10.012 0.000 -13.469) 16.782 21.773 ( -7.689 0.000 0.397) 7.700 21.783 ( -5.422 0.000 0.570) 5.451 21.988 ( -1.411 0.000 0.622) 1.542 22.298 ( 2.984 0.000 3.971) 4.967 22.479 ( 3.972 0.000 0.543) 4.009 22.686 ( 22.377 0.000 -7.244) 23.520 23.984 ( 4.589 0.000 -10.655) 11.601======================= Grid point 58 (22/90) =======================q-point: ( 0.30 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.022 ( 26.726 0.000 8.618) 28.081 2.024 ( 22.106 0.000 12.007) 25.156 2.720 ( 3.449 0.000 -0.770) 3.534 2.776 ( 2.375 0.000 -4.630) 5.204 2.933 ( 8.335 0.000 4.007) 9.248 3.051 ( 10.769 0.000 -0.875) 10.804 3.220 ( 1.239 0.000 -5.687) 5.820 3.309 ( 21.467 0.000 4.482) 21.930 3.702 ( 3.034 0.000 16.174) 16.456 3.722 ( 8.922 0.000 -1.486) 9.045 3.878 ( -8.258 0.000 8.426) 11.798 4.249 ( 2.414 0.000 -13.587) 13.800 4.378 ( 5.606 0.000 -4.519) 7.200 4.636 ( -5.805 0.000 1.893) 6.106 4.689 ( -3.168 0.000 -5.153) 6.049 4.764 ( 2.354 0.000 2.200) 3.222 4.967 ( -4.277 0.000 5.204) 6.736 5.057 ( -0.956 0.000 -2.561) 2.734 5.248 ( -17.324 0.000 3.922) 17.763 5.306 ( 5.868 0.000 5.838) 8.278 5.417 ( 4.260 0.000 -6.942) 8.145 5.554 ( 0.998 0.000 -2.964) 3.127 5.861 ( -4.974 0.000 3.483) 6.072 5.871 ( 3.463 0.000 3.151) 4.682 6.216 ( -2.515 0.000 0.822) 2.646 6.395 ( -5.562 0.000 -2.460) 6.082 6.652 ( 2.720 0.000 -0.160) 2.725 6.811 ( -1.006 0.000 4.390) 4.504 7.284 ( -5.209 0.000 -11.957) 13.042 7.577 ( 0.001 0.000 -4.835) 4.835 7.799 ( -4.833 0.000 0.884) 4.913 7.817 ( -4.975 0.000 8.608) 9.942 8.075 ( -0.022 0.000 -0.028) 0.036 8.598 ( -5.091 0.000 -4.917) 7.078 9.328 ( -2.303 0.000 6.467) 6.865 9.514 ( -2.595 0.000 -4.798) 5.455 9.550 ( 5.931 0.000 2.542) 6.453 9.973 ( -2.018 0.000 -7.838) 8.093 10.053 ( 4.007 0.000 -9.622) 10.423 10.076 ( 7.191 0.000 6.645) 9.791 10.218 ( 3.005 0.000 0.590) 3.062 10.500 ( 7.638 0.000 0.481) 7.653 10.563 ( 1.606 0.000 -12.554) 12.656 10.832 ( -2.712 0.000 -10.576) 10.918 10.993 ( -4.745 0.000 8.494) 9.730 11.104 ( 4.053 0.000 -0.772) 4.126 11.236 ( 1.472 0.000 -8.422) 8.550 11.379 ( 5.886 0.000 9.095) 10.834 11.401 ( 7.114 0.000 4.795) 8.579 11.673 ( -3.237 0.000 14.571) 14.926 11.978 ( 5.929 0.000 0.874) 5.993 11.989 ( 8.906 0.000 1.633) 9.055 12.162 ( -6.025 0.000 -3.900) 7.177 12.300 ( 0.754 0.000 2.723) 2.826 12.378 ( -4.117 0.000 6.384) 7.596 12.442 ( 10.984 0.000 2.167) 11.195 12.614 ( -2.812 0.000 14.387) 14.659 13.215 ( -11.563 0.000 -1.896) 11.717 13.523 ( -30.812 0.000 -7.028) 31.604 13.944 ( -11.502 0.000 -9.914) 15.185 14.227 ( 1.083 0.000 -0.775) 1.332 14.318 ( -3.206 0.000 -4.414) 5.456 14.498 ( -5.092 0.000 4.308) 6.670 14.590 ( -10.336 0.000 5.405) 11.664 15.050 ( 3.630 0.000 -9.555) 10.222 15.075 ( 5.797 0.000 -7.162) 9.214 15.534 ( -9.359 0.000 -2.147) 9.602 15.638 ( -3.219 0.000 -4.719) 5.713 19.159 ( -0.411 0.000 2.424) 2.459 19.263 ( 4.233 0.000 -2.087) 4.720 19.284 ( -1.640 0.000 1.012) 1.927 19.483 ( 4.810 0.000 8.063) 9.389 19.646 ( -1.448 0.000 -3.010) 3.340 19.795 ( -0.119 0.000 -0.645) 0.656 19.983 ( -9.259 0.000 8.931) 12.864 20.049 ( -4.710 0.000 4.788) 6.717 21.649 ( -4.710 0.000 -0.649) 4.754 21.691 ( -4.066 0.000 -0.728) 4.130 21.806 ( 3.013 0.000 -7.821) 8.381 21.956 ( -1.829 0.000 -0.273) 1.849 22.351 ( 2.512 0.000 2.813) 3.772 22.521 ( 0.417 0.000 0.309) 0.519 23.123 ( 20.655 0.000 -9.911) 22.910 23.990 ( -2.831 0.000 -6.338) 6.941======================= Grid point 59 (23/90) =======================q-point: ( 0.40 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.375 ( 13.915 0.000 10.695) 17.550 2.508 ( 22.282 0.000 4.519) 22.736 2.763 ( -2.469 0.000 -1.425) 2.851 2.849 ( 5.080 0.000 -5.207) 7.275 3.083 ( 10.536 0.000 6.284) 12.268 3.114 ( -3.077 0.000 -2.068) 3.707 3.271 ( -1.545 0.000 -1.636) 2.251 3.454 ( -0.166 0.000 1.913) 1.920 3.736 ( 1.239 0.000 9.128) 9.211 3.853 ( 5.798 0.000 8.190) 10.035 4.040 ( 15.236 0.000 -4.513) 15.890 4.253 ( 0.676 0.000 -12.692) 12.710 4.380 ( -3.930 0.000 -9.342) 10.135 4.511 ( -3.506 0.000 -0.629) 3.562 4.668 ( -2.409 0.000 -7.941) 8.299 4.743 ( -5.232 0.000 -3.390) 6.234 4.875 ( -7.053 0.000 10.108) 12.325 4.899 ( -12.171 0.000 2.446) 12.415 5.111 ( 5.725 0.000 -3.892) 6.923 5.391 ( -4.392 0.000 -4.751) 6.470 5.526 ( -1.217 0.000 -3.511) 3.716 5.594 ( 17.482 0.000 10.085) 20.183 5.737 ( -8.222 0.000 2.284) 8.533 5.952 ( 3.901 0.000 2.425) 4.593 6.211 ( 2.075 0.000 1.797) 2.745 6.327 ( -2.343 0.000 2.027) 3.099 6.672 ( 1.381 0.000 -3.614) 3.869 6.866 ( 1.550 0.000 2.208) 2.697 7.192 ( -0.337 0.000 -2.571) 2.593 7.601 ( 2.166 0.000 -4.200) 4.726 7.634 ( -12.864 0.000 8.655) 15.505 7.716 ( -3.618 0.000 0.355) 3.635 8.129 ( 5.616 0.000 1.811) 5.901 8.461 ( -8.573 0.000 -2.562) 8.948 9.326 ( 1.700 0.000 2.081) 2.687 9.455 ( -3.491 0.000 -3.506) 4.947 9.690 ( 7.581 0.000 -2.034) 7.849 9.917 ( -3.668 0.000 -7.273) 8.145 10.139 ( 4.678 0.000 -9.579) 10.661 10.250 ( 10.058 0.000 6.152) 11.790 10.254 ( 0.309 0.000 -1.817) 1.843 10.570 ( -2.118 0.000 -9.204) 9.445 10.603 ( 3.429 0.000 -1.583) 3.777 10.762 ( -4.521 0.000 -9.880) 10.865 10.911 ( -2.038 0.000 5.245) 5.627 11.128 ( -9.336 0.000 -12.091) 15.276 11.250 ( 9.666 0.000 0.554) 9.682 11.464 ( 1.823 0.000 8.742) 8.930 11.602 ( 10.056 0.000 6.944) 12.220 11.673 ( 2.477 0.000 9.700) 10.011 11.982 ( -4.673 0.000 0.699) 4.725 12.059 ( -3.106 0.000 0.170) 3.110 12.064 ( 4.264 0.000 1.151) 4.417 12.323 ( -3.134 0.000 10.566) 11.021 12.401 ( 6.395 0.000 3.643) 7.360 12.589 ( 0.495 0.000 13.504) 13.513 12.611 ( 2.328 0.000 7.265) 7.629 12.970 ( -23.719 0.000 -2.486) 23.849 13.141 ( 5.980 0.000 -5.096) 7.857 13.691 ( -14.211 0.000 -10.011) 17.383 14.259 ( 2.387 0.000 -0.508) 2.440 14.266 ( -1.276 0.000 -2.059) 2.422 14.406 ( -4.544 0.000 1.800) 4.888 14.409 ( -7.818 0.000 1.627) 7.985 15.126 ( 4.339 0.000 -7.328) 8.517 15.210 ( 7.751 0.000 -5.807) 9.685 15.362 ( -7.963 0.000 -3.796) 8.822 15.530 ( -7.248 0.000 -5.228) 8.937 19.168 ( 1.225 0.000 1.776) 2.158 19.247 ( -2.191 0.000 1.972) 2.947 19.349 ( 4.556 0.000 -2.560) 5.226 19.512 ( -2.381 0.000 1.401) 2.762 19.682 ( 5.558 0.000 3.522) 6.580 19.795 ( 0.267 0.000 0.148) 0.305 19.859 ( -3.939 0.000 4.331) 5.855 19.942 ( -6.156 0.000 6.487) 8.943 21.589 ( -1.417 0.000 -1.744) 2.248 21.625 ( -2.690 0.000 -1.927) 3.309 21.849 ( 1.727 0.000 -5.117) 5.400 21.918 ( -1.919 0.000 -1.603) 2.500 22.401 ( 2.628 0.000 1.826) 3.200 22.503 ( -1.946 0.000 0.535) 2.018 23.475 ( 15.219 0.000 -9.302) 17.837 23.894 ( -6.785 0.000 -6.338) 9.285======================= Grid point 60 (24/90) =======================q-point: (-0.50 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 81Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.612 ( -10.771 0.000 6.917) 12.801 2.612 ( 10.771 0.000 6.917) 12.801 2.852 ( -10.422 0.000 -4.055) 11.183 2.852 ( 10.422 0.000 -4.055) 11.183 3.117 ( -8.501 0.000 4.925) 9.825 3.117 ( 8.501 0.000 4.925) 9.825 3.336 ( -11.732 0.000 1.432) 11.819 3.336 ( 11.732 0.000 1.432) 11.819 3.847 ( -6.239 0.000 0.242) 6.244 3.847 ( 6.239 0.000 0.242) 6.244 4.246 ( -8.174 0.000 -4.704) 9.431 4.246 ( 8.174 0.000 -4.704) 9.431 4.423 ( -15.719 0.000 -4.203) 16.271 4.423 ( 15.719 0.000 -4.203) 16.271 4.592 ( -8.744 0.000 -6.157) 10.694 4.592 ( 8.744 0.000 -6.157) 10.694 4.819 ( -2.354 0.000 4.265) 4.872 4.819 ( 2.354 0.000 4.265) 4.872 5.251 ( -8.057 0.000 -4.337) 9.150 5.251 ( 8.057 0.000 -4.337) 9.150 5.576 ( -6.493 0.000 -1.491) 6.662 5.576 ( 6.493 0.000 -1.491) 6.662 5.902 ( -10.607 0.000 7.491) 12.985 5.902 ( 10.607 0.000 7.491) 12.985 6.272 ( -3.382 0.000 3.506) 4.872 6.272 ( 3.382 0.000 3.506) 4.872 6.767 ( -7.963 0.000 -6.037) 9.993 6.767 ( 7.963 0.000 -6.037) 9.993 7.357 ( -13.891 0.000 7.872) 15.966 7.357 ( 13.891 0.000 7.872) 15.966 7.653 ( -2.958 0.000 -1.756) 3.440 7.653 ( 2.958 0.000 -1.756) 3.440 8.280 ( -9.176 0.000 0.356) 9.183 8.280 ( 9.176 0.000 0.356) 9.183 9.382 ( -3.651 0.000 -1.599) 3.986 9.382 ( 3.651 0.000 -1.599) 3.986 9.825 ( -5.852 0.000 -5.492) 8.026 9.825 ( 5.852 0.000 -5.492) 8.026 10.223 ( -3.357 0.000 -6.457) 7.278 10.223 ( 3.357 0.000 -6.457) 7.278 10.449 ( -9.389 0.000 1.459) 9.502 10.449 ( 9.389 0.000 1.459) 9.502 10.671 ( -4.119 0.000 -5.530) 6.896 10.671 ( 4.119 0.000 -5.530) 6.896 10.959 ( -6.517 0.000 -5.954) 8.828 10.959 ( 6.517 0.000 -5.954) 8.828 11.421 ( -6.290 0.000 4.348) 7.647 11.421 ( 6.290 0.000 4.348) 7.647 11.710 ( -0.501 0.000 7.068) 7.086 11.710 ( 0.501 0.000 7.068) 7.086 11.976 ( -3.373 0.000 1.148) 3.563 11.976 ( 3.373 0.000 1.148) 3.563 12.200 ( -8.938 0.000 5.601) 10.548 12.200 ( 8.938 0.000 5.601) 10.548 12.539 ( -7.023 0.000 7.095) 9.983 12.539 ( 7.023 0.000 7.095) 9.983 12.657 ( -8.000 0.000 6.870) 10.546 12.657 ( 8.000 0.000 6.870) 10.546 13.389 ( -15.921 0.000 -8.004) 17.820 13.389 ( 15.921 0.000 -8.004) 17.820 14.291 ( -3.917 0.000 -0.946) 4.030 14.291 ( 3.917 0.000 -0.946) 4.030 14.321 ( -3.869 0.000 0.300) 3.881 14.321 ( 3.869 0.000 0.300) 3.881 15.226 ( -5.954 0.000 -5.438) 8.063 15.226 ( 5.954 0.000 -5.438) 8.064 15.372 ( -8.497 0.000 -5.248) 9.987 15.372 ( 8.497 0.000 -5.248) 9.987 19.203 ( -2.142 0.000 1.999) 2.930 19.203 ( 2.142 0.000 1.999) 2.930 19.439 ( -4.431 0.000 -2.031) 4.875 19.439 ( 4.431 0.000 -2.031) 4.875 19.810 ( -1.422 0.000 1.617) 2.153 19.810 ( 1.422 0.000 1.617) 2.153 19.812 ( -6.937 0.000 6.677) 9.628 19.812 ( 6.937 0.000 6.677) 9.628 21.587 ( -1.049 0.000 -2.301) 2.528 21.587 ( 1.049 0.000 -2.301) 2.528 21.882 ( -1.756 0.000 -3.221) 3.669 21.882 ( 1.756 0.000 -3.221) 3.669 22.455 ( -2.781 0.000 1.062) 2.977 22.455 ( 2.781 0.000 1.062) 2.977 23.725 ( -10.531 0.000 -7.756) 13.079 23.725 ( 10.531 0.000 -7.756) 13.079======================= Grid point 66 (25/90) =======================q-point: ( 0.00 0.25 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.906 ( 0.000 21.746 21.726) 30.739 1.014 ( 0.000 23.090 22.732) 32.402 1.728 ( 0.000 36.246 38.094) 52.583 1.998 ( 0.000 -24.944 7.966) 26.185 2.094 ( 0.000 -22.043 11.894) 25.047 2.880 ( 0.000 13.882 3.235) 14.254 3.043 ( 0.000 5.838 6.746) 8.921 3.232 ( 0.000 -14.883 -0.139) 14.884 3.617 ( 0.000 -10.989 10.899) 15.478 3.723 ( 0.000 -5.006 -5.210) 7.225 3.725 ( 0.000 7.454 12.615) 14.652 3.927 ( 0.000 8.092 1.546) 8.239 4.345 ( 0.000 -2.933 6.354) 6.998 4.567 ( 0.000 -20.550 16.829) 26.561 4.601 ( 0.000 -17.730 -0.460) 17.736 4.742 ( 0.000 -4.446 -0.853) 4.527 5.016 ( 0.000 2.787 0.983) 2.956 5.173 ( 0.000 4.314 -1.804) 4.676 5.289 ( 0.000 -2.361 -5.036) 5.562 5.303 ( 0.000 0.126 -0.658) 0.670 5.639 ( 0.000 15.043 -5.812) 16.127 5.649 ( 0.000 7.563 4.732) 8.921 5.972 ( 0.000 2.270 -1.503) 2.723 6.183 ( 0.000 -7.595 -4.862) 9.018 6.487 ( 0.000 5.856 -1.569) 6.063 6.497 ( 0.000 10.279 -12.791) 16.409 6.732 ( 0.000 -2.748 4.034) 4.881 6.843 ( 0.000 11.037 -28.757) 30.802 7.439 ( 0.000 8.517 -4.684) 9.720 7.701 ( 0.000 -3.725 2.383) 4.422 7.751 ( 0.000 -3.435 4.769) 5.877 7.894 ( 0.000 -5.163 2.356) 5.675 8.036 ( 0.000 8.508 2.181) 8.783 8.423 ( 0.000 -7.782 3.328) 8.464 9.503 ( 0.000 -2.297 -0.460) 2.342 9.591 ( 0.000 -4.602 -6.323) 7.820 9.727 ( 0.000 4.889 0.897) 4.970 9.884 ( 0.000 -2.092 6.131) 6.478 10.124 ( 0.000 7.779 1.361) 7.897 10.218 ( 0.000 5.765 -3.811) 6.911 10.312 ( 0.000 0.534 1.977) 2.048 10.312 ( 0.000 3.941 -2.774) 4.820 10.476 ( 0.000 8.652 11.299) 14.231 10.722 ( 0.000 -1.944 -0.894) 2.140 10.964 ( 0.000 -9.367 -3.426) 9.974 10.969 ( 0.000 -5.900 2.192) 6.294 10.993 ( 0.000 -5.226 6.364) 8.235 11.037 ( 0.000 -1.491 2.112) 2.585 11.135 ( 0.000 -0.695 9.077) 9.104 11.137 ( 0.000 -3.939 7.637) 8.593 11.809 ( 0.000 0.340 -2.856) 2.876 11.820 ( 0.000 6.717 -5.290) 8.550 11.904 ( 0.000 5.789 -0.944) 5.866 12.304 ( 0.000 -6.852 -9.125) 11.411 12.731 ( 0.000 -1.674 1.051) 1.976 12.752 ( 0.000 -1.066 -10.748) 10.800 13.704 ( 0.000 25.247 -26.248) 36.419 14.008 ( 0.000 0.440 0.445) 0.626 14.011 ( 0.000 -0.493 -0.615) 0.788 14.085 ( 0.000 -1.353 -10.645) 10.731 14.511 ( 0.000 3.771 -5.452) 6.629 14.610 ( 0.000 0.079 -8.515) 8.515 14.630 ( 0.000 -0.030 -8.351) 8.351 14.639 ( 0.000 -0.311 -15.589) 15.592 15.246 ( 0.000 -2.678 -0.009) 2.678 15.255 ( 0.000 -1.846 5.311) 5.622 15.521 ( 0.000 7.452 4.306) 8.606 15.920 ( 0.000 -11.412 4.875) 12.409 19.105 ( 0.000 1.511 1.359) 2.033 19.255 ( 0.000 0.854 2.341) 2.492 19.273 ( 0.000 -4.839 4.346) 6.504 19.373 ( 0.000 -10.141 11.622) 15.424 19.848 ( 0.000 5.161 -1.393) 5.346 20.122 ( 0.000 -5.535 -0.016) 5.535 20.447 ( 0.000 13.901 -18.875) 23.441 20.623 ( 0.000 0.954 -19.316) 19.340 21.539 ( 0.000 2.933 18.026) 18.263 21.821 ( 0.000 -8.939 9.333) 12.923 22.051 ( 0.000 3.181 0.834) 3.289 22.115 ( 0.000 0.798 -0.244) 0.834 22.185 ( 0.000 0.030 2.508) 2.508 22.231 ( 0.000 -1.860 4.291) 4.677 22.277 ( 0.000 1.230 5.884) 6.011 22.573 ( 0.000 -19.604 18.704) 27.095======================= Grid point 67 (26/90) =======================q-point: ( 0.10 0.25 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.089 ( 18.880 15.637 18.611) 30.779 1.246 ( 18.832 17.176 21.010) 33.031 2.047 ( 24.019 12.949 16.788) 32.038 2.103 ( 15.124 -8.967 15.942) 23.734 2.177 ( 7.970 -20.625 9.483) 24.059 2.916 ( 2.744 11.664 1.081) 12.031 3.042 ( 1.737 9.105 5.372) 10.713 3.272 ( 1.737 -9.111 -1.006) 9.330 3.591 ( -0.833 -10.601 10.633) 15.038 3.763 ( 3.232 -3.099 -3.986) 5.995 3.867 ( 11.057 4.188 2.798) 12.150 3.956 ( 2.806 4.791 3.951) 6.814 4.279 ( -5.003 0.678 4.955) 7.075 4.585 ( -1.685 -14.982 0.671) 15.092 4.643 ( 5.302 -17.847 12.083) 22.196 4.696 ( -3.647 -4.374 0.948) 5.774 4.975 ( -2.637 0.814 3.414) 4.390 5.208 ( 2.488 3.320 -1.755) 4.505 5.285 ( 1.082 -2.088 -1.836) 2.983 5.318 ( 0.215 -1.678 -1.797) 2.469 5.589 ( -4.766 14.091 -5.491) 15.856 5.700 ( 5.288 10.347 1.642) 11.735 5.855 ( -8.088 3.843 -2.203) 9.221 6.183 ( -3.736 0.821 -1.203) 4.009 6.342 ( -8.553 0.914 -7.215) 11.227 6.607 ( 5.305 6.695 -2.957) 9.039 6.643 ( -7.269 -4.578 -1.107) 8.662 6.914 ( 4.070 -1.556 -18.864) 19.361 7.363 ( -7.010 8.193 -1.476) 10.883 7.644 ( -1.461 -3.044 -1.422) 3.664 7.826 ( 1.164 -6.786 -0.416) 6.898 7.909 ( 2.487 2.348 6.048) 6.948 8.076 ( 3.505 5.925 1.798) 7.115 8.465 ( 2.857 -9.754 -0.723) 10.190 9.458 ( -3.922 -2.925 -1.175) 5.032 9.602 ( -0.384 -1.813 -2.254) 2.918 9.712 ( -1.390 4.165 -2.385) 4.997 9.853 ( -4.784 -1.745 7.064) 8.708 10.020 ( -5.043 -0.473 -0.977) 5.158 10.144 ( -5.617 9.098 2.180) 10.912 10.248 ( -0.103 4.228 0.208) 4.234 10.256 ( -1.133 5.660 0.654) 5.809 10.443 ( -1.265 -1.383 0.478) 1.934 10.877 ( 0.963 -12.420 -1.407) 12.537 10.922 ( 3.177 -0.748 3.123) 4.517 10.966 ( 3.175 2.703 -4.777) 6.341 11.125 ( 4.830 0.127 6.258) 7.906 11.139 ( 3.978 -2.274 8.873) 9.986 11.243 ( 17.679 -5.954 5.000) 19.313 11.344 ( 14.923 -0.058 4.179) 15.498 11.797 ( -3.370 10.144 -4.701) 11.677 11.863 ( 4.628 0.442 -2.005) 5.063 11.958 ( 6.928 -0.382 -0.942) 7.003 12.141 ( -12.051 0.024 -1.608) 12.158 12.641 ( -7.375 -1.747 -4.504) 8.816 12.721 ( -4.072 -0.795 -2.168) 4.682 13.334 ( -24.424 24.669 -4.471) 35.001 13.807 ( -14.978 -1.975 -6.016) 16.262 14.141 ( 5.405 -0.066 -3.328) 6.348 14.167 ( 2.090 -0.195 -4.649) 5.101 14.362 ( -8.172 -0.108 -7.393) 11.021 14.448 ( -8.063 -1.035 -11.945) 14.449 14.768 ( 4.254 0.363 -5.912) 7.292 14.774 ( 5.192 0.789 -5.179) 7.376 15.070 ( -15.229 -1.282 -2.070) 15.423 15.112 ( -9.662 -1.868 2.482) 10.149 15.594 ( 5.448 4.757 1.979) 7.498 15.854 ( -5.571 -5.554 2.707) 8.319 19.125 ( 2.003 0.795 0.897) 2.335 19.225 ( -2.016 -1.537 5.368) 5.937 19.307 ( 2.233 -2.066 3.038) 4.300 19.343 ( -2.047 -4.957 7.599) 9.300 19.838 ( -2.360 5.468 -3.961) 7.152 19.925 ( -15.321 8.425 -4.543) 18.065 20.115 ( -1.406 -4.733 0.974) 5.033 20.798 ( -36.114 2.355 23.492) 43.146 21.343 ( 30.289 1.960 -22.699) 37.902 21.867 ( -3.757 -1.193 1.794) 4.331 21.947 ( -9.188 -0.342 -0.085) 9.195 22.055 ( -0.623 3.714 1.030) 3.904 22.231 ( 3.406 -0.354 5.270) 6.285 22.288 ( 7.027 -3.537 1.073) 7.940 22.399 ( 11.210 1.529 -0.703) 11.335 23.306 ( 37.700 -24.317 2.647) 44.940======================= Grid point 68 (27/90) =======================q-point: ( 0.20 0.25 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.555 ( 26.457 8.315 12.868) 30.573 1.668 ( 23.128 11.125 14.888) 29.671 2.284 ( 11.084 -21.433 5.579) 24.766 2.398 ( 14.256 -16.421 5.554) 22.444 2.754 ( 35.512 13.992 11.070) 39.742 2.961 ( 0.770 8.383 -1.569) 8.563 3.101 ( 3.652 7.343 0.828) 8.243 3.297 ( 1.497 5.546 -3.198) 6.574 3.599 ( 1.341 -6.977 12.292) 14.198 3.794 ( 0.526 5.166 -2.548) 5.785 4.007 ( 2.525 3.838 1.968) 4.998 4.030 ( 0.229 -8.394 -1.450) 8.522 4.288 ( 8.284 3.489 2.325) 9.285 4.514 ( -3.413 -15.694 -3.996) 16.550 4.629 ( -1.768 -3.431 2.824) 4.783 4.733 ( 1.313 -7.710 7.768) 11.023 4.949 ( 0.856 0.175 5.309) 5.380 5.238 ( 0.105 1.658 -2.742) 3.206 5.274 ( -1.856 1.280 -1.129) 2.521 5.398 ( 6.965 -0.898 3.477) 7.836 5.489 ( -3.695 7.494 -4.444) 9.464 5.655 ( -11.902 7.138 -1.461) 13.955 5.829 ( 4.665 7.769 -1.175) 9.138 6.029 ( -9.127 2.057 -0.224) 9.358 6.197 ( -6.218 -6.034 -3.485) 9.339 6.490 ( -7.508 -5.356 -3.208) 9.764 6.681 ( 2.469 6.476 1.005) 7.003 6.947 ( -0.935 -4.099 -8.189) 9.205 7.217 ( -6.307 3.073 -0.295) 7.022 7.643 ( 0.432 0.424 -5.404) 5.437 7.781 ( -4.482 -9.750 0.931) 10.771 7.956 ( 0.980 6.982 6.075) 9.306 8.121 ( 0.054 3.576 0.311) 3.590 8.490 ( -0.692 -11.467 -3.418) 11.985 9.376 ( -3.215 -2.451 -0.850) 4.131 9.577 ( -0.606 5.104 3.596) 6.272 9.653 ( -3.178 4.505 -3.001) 6.277 9.825 ( 2.412 -4.728 1.482) 5.511 9.987 ( -0.994 -0.793 -0.739) 1.471 10.096 ( 0.879 4.414 -2.349) 5.077 10.260 ( 2.166 7.947 -0.881) 8.284 10.323 ( 5.992 -0.523 2.518) 6.520 10.438 ( 1.235 -4.964 -5.624) 7.602 10.848 ( -1.712 -12.929 1.350) 13.111 10.977 ( 1.188 3.945 -9.111) 10.000 11.084 ( 7.640 2.628 2.960) 8.605 11.175 ( 2.401 1.220 6.567) 7.098 11.270 ( 8.480 0.502 8.521) 12.032 11.455 ( -4.403 5.388 -1.903) 7.213 11.596 ( 11.310 -5.054 1.778) 12.515 11.816 ( 7.395 2.571 4.274) 8.919 11.885 ( -0.022 2.321 7.457) 7.810 12.074 ( 6.697 1.010 -3.534) 7.639 12.161 ( 11.840 -1.194 -2.604) 12.182 12.473 ( -9.022 -1.562 -1.169) 9.231 12.585 ( -10.067 -0.047 0.160) 10.068 12.921 ( -16.389 17.561 8.064) 25.338 13.468 ( -18.265 -4.643 -3.439) 19.157 14.076 ( -17.354 -0.092 -9.647) 19.855 14.122 ( -9.363 -0.407 -7.763) 12.169 14.224 ( -0.575 1.243 -2.462) 2.818 14.340 ( -2.650 -3.057 -6.961) 8.051 14.647 ( -10.624 0.838 8.793) 13.816 14.749 ( -7.675 -1.875 6.595) 10.292 14.972 ( 3.390 -0.563 -11.259) 11.772 15.007 ( 0.402 -0.252 -8.677) 8.690 15.665 ( 1.000 1.794 -2.317) 3.096 15.725 ( -7.369 -0.102 -0.881) 7.422 19.175 ( 2.175 -0.513 0.846) 2.389 19.190 ( -0.328 0.057 3.501) 3.517 19.309 ( -0.862 -0.739 1.506) 1.886 19.371 ( 3.571 -1.276 5.206) 6.441 19.712 ( -4.996 2.193 -4.993) 7.395 19.854 ( -0.341 4.727 0.510) 4.766 20.080 ( -2.292 -4.022 2.262) 5.152 20.253 ( -19.967 0.163 16.542) 25.930 21.711 ( 6.316 1.172 -9.724) 11.655 21.768 ( -4.912 -0.954 0.392) 5.019 21.795 ( -4.312 1.513 -4.219) 6.220 22.036 ( -1.288 3.802 0.591) 4.058 22.297 ( 3.041 0.104 4.063) 5.076 22.417 ( 4.651 -4.724 0.937) 6.695 22.741 ( 22.293 4.122 -10.283) 24.894 23.770 ( 12.210 -15.650 -1.228) 19.888======================= Grid point 69 (28/90) =======================q-point: ( 0.30 0.25 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.069 ( 24.724 4.684 8.531) 26.570 2.114 ( 21.641 7.701 9.768) 24.961 2.528 ( 13.212 -12.657 2.796) 18.509 2.684 ( 13.297 -8.607 1.082) 15.876 2.953 ( 0.955 3.012 3.127) 4.446 3.129 ( 0.908 -0.054 -2.677) 2.827 3.276 ( 4.306 5.844 -6.041) 9.444 3.402 ( 14.585 8.328 2.123) 16.929 3.646 ( 5.868 -1.028 9.915) 11.567 3.836 ( 3.959 6.653 0.105) 7.743 3.920 ( -5.770 1.891 2.337) 6.506 4.063 ( -0.862 -8.879 -2.389) 9.235 4.355 ( -0.144 -10.001 -5.280) 11.310 4.576 ( 5.449 -2.232 0.423) 5.903 4.637 ( 2.190 -5.279 0.702) 5.758 4.704 ( -2.383 -0.552 0.850) 2.589 4.986 ( 1.100 2.845 2.805) 4.144 5.196 ( -3.154 7.519 -3.222) 8.767 5.290 ( -1.601 -2.825 -1.670) 3.651 5.342 ( -11.343 5.349 -1.066) 12.586 5.409 ( -2.982 3.083 1.333) 4.492 5.576 ( 5.578 -0.207 6.826) 8.818 5.822 ( -4.122 0.786 -0.533) 4.230 5.947 ( 0.292 5.161 -4.487) 6.845 6.127 ( -0.090 -8.105 1.256) 8.202 6.369 ( -4.185 -2.082 -3.697) 5.960 6.712 ( 0.413 4.457 1.020) 4.591 6.915 ( -0.538 4.727 1.590) 5.016 7.142 ( -1.806 -4.355 -4.003) 6.185 7.632 ( -3.045 -3.171 0.202) 4.401 7.679 ( -4.073 -2.772 -1.427) 5.129 7.951 ( -1.401 7.217 6.488) 9.805 8.073 ( -3.858 0.541 0.132) 3.898 8.439 ( -4.322 -11.645 -3.153) 12.815 9.362 ( 1.468 1.227 0.191) 1.923 9.569 ( -1.798 6.137 -4.055) 7.572 9.639 ( 2.619 4.682 1.483) 5.566 9.875 ( 1.340 -3.355 -2.312) 4.289 9.997 ( 2.785 -3.589 -0.077) 4.544 10.137 ( 3.310 1.491 -6.106) 7.104 10.302 ( 1.549 3.088 -3.318) 4.790 10.432 ( 3.280 -2.603 1.121) 4.335 10.518 ( 6.685 -1.012 -3.735) 7.725 10.848 ( 2.289 -9.334 3.099) 10.098 10.957 ( -3.329 7.284 -11.873) 14.321 11.176 ( 1.643 2.419 2.981) 4.176 11.240 ( -0.341 1.040 -4.584) 4.713 11.343 ( -0.912 -1.520 3.247) 3.700 11.466 ( 10.160 3.661 7.023) 12.882 11.626 ( -0.946 -3.306 9.543) 10.143 11.977 ( 4.649 0.118 -0.953) 4.747 12.008 ( 8.491 0.840 4.961) 9.870 12.169 ( -3.294 0.442 -4.617) 5.689 12.286 ( -1.453 -0.896 4.273) 4.601 12.411 ( -2.925 1.846 5.051) 6.122 12.441 ( 10.872 -0.049 2.465) 11.148 12.690 ( -8.425 7.147 11.315) 15.814 13.141 ( -14.362 -6.299 1.495) 15.754 13.599 ( -25.160 6.327 -8.262) 27.227 13.901 ( -13.375 -4.073 -9.834) 17.093 14.233 ( 0.763 0.654 -0.962) 1.391 14.295 ( -2.361 -1.850 -3.363) 4.507 14.503 ( -5.352 0.363 4.072) 6.735 14.566 ( -9.206 -1.716 5.620) 10.922 15.054 ( 3.982 0.342 -8.984) 9.833 15.071 ( 5.451 -0.366 -7.397) 9.196 15.562 ( -8.571 2.225 -3.009) 9.352 15.635 ( -4.344 -0.381 -4.599) 6.338 19.174 ( 0.186 1.275 2.353) 2.683 19.250 ( 3.603 -1.055 -0.469) 3.784 19.293 ( -0.717 0.701 0.423) 1.088 19.443 ( 3.209 -2.855 5.616) 7.070 19.648 ( -1.734 0.198 -3.220) 3.662 19.850 ( -0.048 4.396 1.098) 4.531 19.968 ( -10.165 -1.100 9.838) 14.189 20.025 ( -3.236 -2.272 3.940) 5.582 21.649 ( -4.311 0.078 -0.632) 4.357 21.681 ( -4.004 -0.711 -0.736) 4.133 21.844 ( 2.984 2.775 -8.561) 9.481 22.006 ( -1.752 3.958 -0.538) 4.362 22.347 ( 2.126 -0.089 2.974) 3.657 22.469 ( 0.876 -4.371 0.784) 4.527 23.166 ( 19.549 3.594 -12.402) 23.429 23.882 ( 0.895 -8.396 -2.250) 8.738======================= Grid point 70 (29/90) =======================q-point: ( 0.40 0.25 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.450 ( 14.033 5.894 8.625) 17.494 2.517 ( 16.935 2.026 2.542) 17.244 2.719 ( 6.618 -0.228 -2.443) 7.058 2.932 ( 12.637 -4.566 0.022) 13.437 3.013 ( 1.377 1.578 8.662) 8.912 3.085 ( -4.378 -3.203 -2.934) 6.167 3.305 ( 3.824 1.906 -4.732) 6.376 3.522 ( -0.542 6.879 -0.216) 6.904 3.730 ( -4.216 -1.095 3.888) 5.839 3.795 ( -5.011 -4.895 2.489) 7.434 3.973 ( 9.360 -2.830 2.913) 10.203 4.126 ( 9.685 -7.355 -4.809) 13.078 4.381 ( 1.342 -1.261 -2.798) 3.350 4.582 ( -1.927 -5.764 4.211) 7.394 4.643 ( -3.994 4.775 -6.353) 8.895 4.686 ( -0.745 0.776 -7.995) 8.067 4.954 ( -7.170 4.450 1.172) 8.520 5.015 ( -8.349 8.015 1.558) 11.677 5.126 ( -1.969 0.825 -3.193) 3.841 5.315 ( -3.625 -5.320 -4.291) 7.737 5.441 ( 3.362 -5.275 0.221) 6.259 5.666 ( -1.410 -1.252 7.266) 7.507 5.774 ( 5.373 8.684 1.271) 10.291 5.975 ( 1.517 1.516 -2.996) 3.685 6.180 ( 4.705 -3.810 3.908) 7.206 6.340 ( -0.081 1.536 1.735) 2.319 6.705 ( 0.461 2.550 -3.680) 4.501 6.913 ( -2.505 2.035 -1.218) 3.450 7.154 ( 4.585 -0.661 1.406) 4.841 7.501 ( -8.459 -7.599 5.946) 12.832 7.667 ( 1.514 5.168 -3.531) 6.440 7.863 ( -7.073 8.895 2.857) 11.718 8.064 ( 3.677 -5.298 3.798) 7.484 8.327 ( -6.909 -10.468 -0.915) 12.576 9.407 ( 2.674 5.008 -1.116) 5.786 9.520 ( -2.830 4.934 -6.945) 8.976 9.716 ( 4.374 2.929 -0.443) 5.283 9.860 ( -2.360 -2.017 -4.656) 5.596 10.100 ( 7.034 -5.546 -1.145) 9.030 10.230 ( 5.876 -1.279 -6.355) 8.749 10.312 ( -0.871 0.905 -5.828) 5.962 10.435 ( -2.533 -3.540 2.078) 4.823 10.659 ( 6.943 2.803 -3.273) 8.172 10.861 ( -4.917 6.508 -8.703) 11.928 10.904 ( 1.161 -2.102 0.768) 2.521 11.092 ( -9.922 -1.987 -10.707) 14.732 11.233 ( 5.004 -1.227 3.838) 6.425 11.382 ( 0.529 -5.409 7.935) 9.618 11.649 ( 7.773 1.376 5.071) 9.382 11.705 ( 7.301 3.421 7.461) 10.985 11.984 ( -4.604 -0.113 2.695) 5.336 12.010 ( -1.739 -1.129 -1.791) 2.740 12.149 ( 1.563 4.024 3.850) 5.785 12.289 ( 1.172 -2.661 8.141) 8.645 12.441 ( 2.819 3.436 4.492) 6.319 12.567 ( -0.515 -0.745 10.880) 10.917 12.652 ( 3.893 2.121 7.365) 8.597 12.867 ( -14.561 -6.448 1.167) 15.967 13.262 ( -5.184 8.513 -6.410) 11.850 13.626 ( -14.011 -5.899 -9.266) 17.804 14.250 ( 0.357 -0.546 -1.586) 1.715 14.269 ( 1.182 0.173 -0.789) 1.432 14.398 ( -6.157 -0.468 0.782) 6.224 14.417 ( -5.355 0.500 2.200) 5.811 15.138 ( 4.788 1.046 -7.034) 8.573 15.197 ( 7.167 -1.156 -5.992) 9.413 15.396 ( -8.055 2.815 -4.167) 9.496 15.513 ( -7.584 -1.630 -5.145) 9.308 19.190 ( 1.360 1.840 1.601) 2.793 19.259 ( -1.637 1.030 1.932) 2.734 19.337 ( 4.036 -1.038 -2.062) 4.649 19.466 ( -1.189 -3.611 1.997) 4.294 19.655 ( 2.533 -1.102 0.847) 2.889 19.814 ( -5.110 -2.155 5.812) 8.033 19.864 ( 0.471 3.744 2.237) 4.386 19.957 ( -3.583 0.342 4.908) 6.087 21.592 ( -1.488 0.210 -1.811) 2.354 21.618 ( -2.421 -0.486 -1.918) 3.126 21.890 ( 2.046 3.190 -5.784) 6.915 21.969 ( -1.996 3.999 -2.061) 4.922 22.386 ( 1.946 -1.071 2.127) 3.075 22.462 ( -1.372 -3.566 0.972) 3.942 23.491 ( 13.680 1.439 -10.428) 17.261 23.842 ( -4.597 -4.143 -4.563) 7.689======================= Grid point 71 (30/90) =======================q-point: (-0.50 0.25 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.631 ( -4.076 2.491 3.448) 5.891 2.631 ( 4.076 2.491 3.448) 5.891 2.902 ( -10.489 2.703 -1.875) 10.993 2.902 ( 10.489 2.703 -1.875) 10.993 3.070 ( -2.360 -3.129 3.764) 5.434 3.070 ( 2.360 -3.129 3.764) 5.434 3.428 ( -7.397 6.547 0.194) 9.880 3.428 ( 7.397 6.547 0.194) 9.880 3.694 ( -2.369 -8.944 -0.505) 9.267 3.694 ( 2.369 -8.944 -0.505) 9.267 4.187 ( -7.837 -8.193 1.716) 11.467 4.187 ( 7.837 -8.193 1.716) 11.467 4.447 ( -9.397 4.053 -1.781) 10.387 4.447 ( 9.397 4.053 -1.781) 10.387 4.631 ( -2.946 2.539 -8.259) 9.129 4.631 ( 2.946 2.539 -8.259) 9.129 4.904 ( -4.068 6.302 2.221) 7.823 4.904 ( 4.068 6.302 2.221) 7.823 5.195 ( -6.939 -4.677 -3.594) 9.107 5.195 ( 6.939 -4.677 -3.594) 9.107 5.541 ( -6.941 -2.773 -0.906) 7.529 5.541 ( 6.941 -2.773 -0.906) 7.529 5.944 ( -5.997 3.157 2.478) 7.216 5.944 ( 5.997 3.157 2.478) 7.216 6.286 ( -5.351 0.994 5.969) 8.078 6.286 ( 5.351 0.994 5.969) 8.078 6.792 ( -7.689 1.904 -6.446) 10.212 6.792 ( 7.689 1.904 -6.446) 10.212 7.315 ( -10.072 -2.965 5.744) 11.968 7.315 ( 10.072 -2.965 5.744) 11.968 7.734 ( -5.311 6.745 0.085) 8.585 7.734 ( 5.311 6.745 0.085) 8.585 8.181 ( -7.431 -8.110 2.415) 11.262 8.181 ( 7.431 -8.110 2.415) 11.262 9.462 ( -2.976 5.698 -4.553) 7.877 9.462 ( 2.976 5.698 -4.553) 7.877 9.798 ( -3.806 -0.643 -3.931) 5.510 9.798 ( 3.806 -0.643 -3.931) 5.510 10.239 ( -6.089 -4.170 -5.383) 9.135 10.239 ( 6.089 -4.170 -5.383) 9.135 10.353 ( -5.484 -1.247 -0.996) 5.711 10.353 ( 5.484 -1.247 -0.996) 5.711 10.771 ( -4.464 5.589 -5.294) 8.899 10.771 ( 4.464 5.589 -5.294) 8.899 10.939 ( -4.350 -1.062 -4.967) 6.688 10.939 ( 4.350 -1.062 -4.967) 6.688 11.341 ( -4.553 -5.625 6.308) 9.601 11.341 ( 4.553 -5.625 6.308) 9.601 11.764 ( -2.734 3.166 4.075) 5.840 11.764 ( 2.734 3.166 4.075) 5.840 11.957 ( -1.757 -1.034 3.353) 3.924 11.957 ( 1.757 -1.034 3.353) 3.924 12.241 ( -6.947 2.967 4.801) 8.950 12.241 ( 6.947 2.967 4.801) 8.950 12.521 ( -5.858 -1.690 5.871) 8.464 12.521 ( 5.858 -1.690 5.871) 8.464 12.676 ( -4.529 1.686 8.146) 9.472 12.676 ( 4.529 1.686 8.146) 9.472 13.367 ( -11.705 -1.727 -7.969) 14.265 13.367 ( 11.705 -1.727 -7.969) 14.265 14.284 ( -3.153 -0.424 -1.186) 3.396 14.284 ( 3.153 -0.424 -1.186) 3.396 14.332 ( -3.089 0.681 0.356) 3.183 14.332 ( 3.089 0.681 0.356) 3.183 15.246 ( -6.089 1.717 -5.469) 8.363 15.246 ( 6.089 1.717 -5.469) 8.363 15.356 ( -7.869 -1.400 -5.239) 9.556 15.356 ( 7.869 -1.400 -5.239) 9.556 19.223 ( -1.906 1.734 1.655) 3.062 19.223 ( 1.906 1.734 1.655) 3.062 19.414 ( -3.617 -2.123 -1.065) 4.327 19.414 ( 3.617 -2.123 -1.065) 4.327 19.725 ( -4.092 -3.090 3.689) 6.317 19.725 ( 4.092 -3.090 3.689) 6.317 19.895 ( -2.506 2.985 4.079) 5.642 19.895 ( 2.506 2.985 4.079) 5.642 21.586 ( -0.770 -0.076 -2.346) 2.470 21.586 ( 0.770 -0.076 -2.346) 2.470 21.929 ( -2.014 3.729 -3.814) 5.701 21.929 ( 2.014 3.729 -3.814) 5.701 22.426 ( -2.075 -2.392 1.455) 3.485 22.426 ( 2.075 -2.392 1.455) 3.485 23.710 ( -8.824 -1.151 -7.505) 11.641 23.710 ( 8.824 -1.151 -7.505) 11.641======================= Grid point 77 (31/90) =======================q-point: ( 0.00 -0.50 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.430 ( 0.000 -21.920 14.782) 26.439 1.430 ( 0.000 21.920 14.782) 26.439 1.571 ( 0.000 -21.299 10.242) 23.634 1.571 ( 0.000 21.299 10.242) 23.634 2.582 ( 0.000 -38.890 21.136) 44.263 2.582 ( 0.000 38.890 21.136) 44.263 3.078 ( 0.000 -2.578 5.054) 5.674 3.078 ( 0.000 2.578 5.054) 5.674 3.587 ( 0.000 -5.305 0.096) 5.306 3.587 ( 0.000 5.305 0.096) 5.306 3.989 ( 0.000 -14.320 12.368) 18.922 3.989 ( 0.000 14.320 12.368) 18.922 4.225 ( 0.000 -14.639 2.071) 14.784 4.225 ( 0.000 14.639 2.071) 14.784 4.586 ( 0.000 -8.302 2.005) 8.540 4.586 ( 0.000 8.302 2.005) 8.540 5.142 ( 0.000 -6.129 -1.850) 6.402 5.142 ( 0.000 6.129 -1.850) 6.402 5.283 ( 0.000 -1.845 -2.948) 3.478 5.283 ( 0.000 1.845 -2.948) 3.478 5.833 ( 0.000 -1.069 -4.860) 4.976 5.833 ( 0.000 1.069 -4.860) 4.976 5.998 ( 0.000 -4.476 -0.872) 4.560 5.998 ( 0.000 4.476 -0.872) 4.560 6.605 ( 0.000 -4.013 0.583) 4.055 6.605 ( 0.000 4.013 0.583) 4.055 6.776 ( 0.000 -9.838 -15.932) 18.724 6.776 ( 0.000 9.838 -15.932) 18.724 7.621 ( 0.000 -5.096 -3.194) 6.015 7.621 ( 0.000 5.096 -3.194) 6.015 7.755 ( 0.000 -4.292 6.065) 7.430 7.755 ( 0.000 4.292 6.065) 7.430 8.230 ( 0.000 -9.563 2.358) 9.849 8.230 ( 0.000 9.563 2.358) 9.849 9.507 ( 0.000 -2.186 -3.651) 4.255 9.507 ( 0.000 2.186 -3.651) 4.255 9.822 ( 0.000 -3.759 4.655) 5.983 9.822 ( 0.000 3.759 4.655) 5.983 10.234 ( 0.000 -2.392 -0.027) 2.392 10.234 ( 0.000 2.392 -0.027) 2.392 10.402 ( 0.000 -0.278 -3.545) 3.556 10.402 ( 0.000 0.278 -3.545) 3.556 10.614 ( 0.000 -2.358 7.988) 8.329 10.614 ( 0.000 2.358 7.988) 8.329 10.830 ( 0.000 -1.611 1.138) 1.973 10.830 ( 0.000 1.611 1.138) 1.973 10.995 ( 0.000 -1.055 1.779) 2.069 10.995 ( 0.000 1.055 1.779) 2.069 11.120 ( 0.000 -0.385 8.691) 8.699 11.120 ( 0.000 0.385 8.691) 8.699 11.833 ( 0.000 -1.241 -3.250) 3.479 11.833 ( 0.000 1.241 -3.250) 3.479 12.126 ( 0.000 -10.199 -7.003) 12.372 12.126 ( 0.000 10.199 -7.003) 12.372 12.729 ( 0.000 -0.447 -6.066) 6.083 12.729 ( 0.000 0.447 -6.066) 6.083 13.983 ( 0.000 -2.355 -10.429) 10.691 13.983 ( 0.000 2.355 -10.429) 10.691 14.034 ( 0.000 -1.288 -5.338) 5.491 14.034 ( 0.000 1.288 -5.338) 5.491 14.589 ( 0.000 -1.358 -9.417) 9.515 14.589 ( 0.000 1.358 -9.417) 9.515 14.630 ( 0.000 -0.046 -12.704) 12.704 14.630 ( 0.000 0.046 -12.704) 12.704 15.224 ( 0.000 -0.275 3.124) 3.136 15.224 ( 0.000 0.275 3.124) 3.136 15.699 ( 0.000 -9.170 6.011) 10.964 15.699 ( 0.000 9.170 6.011) 10.964 19.159 ( 0.000 -3.863 4.072) 5.613 19.159 ( 0.000 3.863 4.072) 5.613 19.284 ( 0.000 -1.945 4.043) 4.487 19.284 ( 0.000 1.945 4.043) 4.487 19.983 ( 0.000 -7.021 -0.277) 7.027 19.983 ( 0.000 7.021 -0.277) 7.027 20.611 ( 0.000 -0.476 -20.221) 20.227 20.611 ( 0.000 0.476 -20.221) 20.227 21.641 ( 0.000 -2.719 16.849) 17.067 21.641 ( 0.000 2.719 16.849) 17.067 22.112 ( 0.000 -1.415 0.290) 1.444 22.112 ( 0.000 1.415 0.290) 1.444 22.192 ( 0.000 -0.822 3.625) 3.717 22.192 ( 0.000 0.822 3.625) 3.717 22.338 ( 0.000 -3.015 10.196) 10.632 22.338 ( 0.000 3.015 10.196) 10.632======================= Grid point 79 (32/90) =======================q-point: ( 0.10 -0.50 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.527 ( 9.962 0.000 13.389) 16.688 1.543 ( 11.599 -0.000 8.722) 14.512 1.670 ( 9.937 0.000 17.746) 20.338 1.747 ( 14.990 -0.000 9.720) 17.866 2.657 ( 13.714 -0.000 11.581) 17.950 2.840 ( 17.648 0.000 21.023) 27.449 3.052 ( 0.055 0.000 0.394) 0.398 3.144 ( 3.873 0.000 5.258) 6.531 3.583 ( 5.408 0.000 -3.392) 6.383 3.654 ( 0.521 0.000 -0.677) 0.854 3.951 ( 2.508 -0.000 6.599) 7.059 4.180 ( -2.068 0.000 -0.561) 2.142 4.200 ( 7.093 -0.000 7.245) 10.139 4.283 ( 7.139 0.000 10.545) 12.734 4.530 ( -3.717 0.000 2.069) 4.254 4.559 ( -2.381 -0.000 3.667) 4.373 5.046 ( -4.036 0.000 -2.431) 4.711 5.220 ( 3.800 0.000 3.370) 5.079 5.276 ( 0.262 0.000 -2.617) 2.630 5.291 ( -0.308 -0.000 -2.786) 2.803 5.795 ( -3.925 -0.000 -4.472) 5.950 5.837 ( -5.785 0.000 -4.615) 7.400 5.917 ( 2.637 0.000 -6.440) 6.959 6.115 ( 4.232 0.000 1.452) 4.474 6.381 ( -14.345 0.000 -6.278) 15.658 6.523 ( -10.971 0.000 -3.385) 11.482 6.766 ( 0.044 -0.000 -3.973) 3.974 6.822 ( 1.510 0.000 -8.017) 8.158 7.585 ( 0.877 0.000 -3.343) 3.456 7.595 ( -6.123 -0.000 -5.107) 7.973 7.644 ( -4.396 -0.000 3.736) 5.769 7.932 ( 8.658 0.000 8.166) 11.901 8.214 ( 0.371 0.000 0.104) 0.386 8.286 ( 2.596 -0.000 1.978) 3.264 9.431 ( -4.721 0.000 -4.604) 6.594 9.567 ( 3.114 0.000 -1.550) 3.479 9.778 ( -3.294 -0.000 2.625) 4.212 9.823 ( -2.463 0.000 5.491) 6.018 10.024 ( -8.673 0.000 -1.513) 8.804 10.227 ( -1.577 0.000 4.758) 5.012 10.309 ( -0.647 0.000 -4.435) 4.482 10.367 ( -8.813 -0.000 1.122) 8.884 10.504 ( -3.262 -0.000 -2.021) 3.838 10.610 ( -0.662 0.000 2.530) 2.615 10.917 ( 3.930 0.000 4.372) 5.879 11.018 ( 9.022 0.000 8.891) 12.666 11.067 ( 9.166 0.000 0.104) 9.167 11.129 ( 3.767 0.000 6.082) 7.154 11.205 ( 15.026 0.000 2.027) 15.162 11.337 ( 17.574 0.000 4.542) 18.151 11.883 ( 4.817 0.000 -2.442) 5.400 11.907 ( 4.279 0.000 -3.960) 5.830 11.993 ( -6.632 0.000 -7.226) 9.808 12.094 ( -5.087 0.000 -2.877) 5.844 12.623 ( -7.650 0.000 -5.579) 9.468 12.713 ( -3.887 0.000 -2.841) 4.814 13.690 ( -19.596 0.000 -7.368) 20.935 13.707 ( -20.710 -0.000 -7.240) 21.939 14.140 ( 5.332 0.000 -4.023) 6.680 14.164 ( 2.029 0.000 -4.021) 4.504 14.360 ( -9.283 0.000 -8.219) 12.399 14.436 ( -9.482 0.000 -12.202) 15.453 14.772 ( 4.114 0.000 -5.718) 7.044 14.784 ( 5.217 0.000 -5.311) 7.444 15.056 ( -15.733 0.000 1.763) 15.832 15.084 ( -8.735 0.000 0.145) 8.736 15.700 ( 2.466 0.000 1.941) 3.139 15.739 ( -0.180 0.000 2.707) 2.713 19.142 ( 0.175 0.000 2.403) 2.410 19.187 ( 0.760 0.000 4.914) 4.972 19.291 ( 0.520 0.000 3.925) 3.959 19.300 ( 1.933 0.000 3.403) 3.913 19.951 ( -7.117 0.000 -7.174) 10.105 19.978 ( -0.577 -0.000 0.609) 0.839 20.046 ( -14.161 0.000 -4.119) 14.748 20.828 ( -37.889 0.000 23.784) 44.735 21.372 ( 31.531 0.000 -24.506) 39.934 21.849 ( -2.586 0.000 2.331) 3.482 21.943 ( -8.866 0.000 -0.380) 8.874 22.117 ( -1.044 0.000 1.096) 1.513 22.224 ( 5.177 0.000 2.364) 5.692 22.232 ( 4.931 -0.000 4.725) 6.830 22.418 ( 13.031 0.000 -2.615) 13.291 23.027 ( 36.948 0.000 15.110) 39.918======================= Grid point 81 (33/90) =======================q-point: ( 0.20 -0.50 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.799 ( 17.332 0.000 9.894) 19.957 1.871 ( 20.417 -0.000 6.565) 21.446 1.928 ( 16.513 0.000 14.940) 22.269 2.109 ( 20.845 -0.000 10.161) 23.190 3.025 ( 19.172 0.000 3.711) 19.528 3.072 ( 2.731 -0.000 -3.676) 4.579 3.096 ( 1.933 0.000 2.672) 3.297 3.295 ( 15.838 0.000 12.088) 19.923 3.624 ( -2.496 -0.000 -3.090) 3.972 3.752 ( 9.159 0.000 -0.962) 9.209 3.980 ( -0.494 0.000 -1.357) 1.444 4.173 ( -6.332 -0.000 -1.212) 6.447 4.185 ( 0.198 0.000 -0.409) 0.455 4.386 ( 1.322 -0.000 9.754) 9.843 4.513 ( 5.187 0.000 1.598) 5.428 4.621 ( 6.312 0.000 6.866) 9.326 5.008 ( 0.334 0.000 -1.734) 1.766 5.273 ( -1.133 0.000 -2.076) 2.365 5.282 ( 0.138 -0.000 -1.575) 1.581 5.337 ( 8.381 0.000 10.746) 13.627 5.666 ( -9.264 -0.000 -3.451) 9.886 5.683 ( -8.565 0.000 -4.856) 9.846 5.953 ( -2.362 -0.000 -6.106) 6.547 6.073 ( -9.049 -0.000 0.094) 9.050 6.139 ( -7.814 0.000 -6.891) 10.418 6.349 ( -3.640 0.000 -4.988) 6.175 6.793 ( 3.000 -0.000 -0.373) 3.024 6.822 ( -1.143 0.000 -0.326) 1.188 7.418 ( -10.471 0.000 -2.014) 10.663 7.551 ( -4.097 0.000 8.128) 9.102 7.646 ( 2.900 0.000 -8.127) 8.629 8.038 ( 1.884 0.000 7.007) 7.256 8.213 ( -1.315 0.000 -1.871) 2.287 8.304 ( -1.229 -0.000 0.784) 1.458 9.352 ( -1.932 0.000 -6.554) 6.833 9.631 ( 2.959 0.000 3.681) 4.723 9.711 ( -2.431 0.000 -2.923) 3.802 9.768 ( -0.163 0.000 6.530) 6.532 10.000 ( 1.492 0.000 -4.901) 5.123 10.146 ( -4.542 0.000 2.325) 5.103 10.298 ( -0.476 0.000 -4.807) 4.830 10.335 ( 4.156 0.000 0.156) 4.159 10.490 ( 2.632 -0.000 -1.837) 3.210 10.610 ( 0.377 0.000 3.427) 3.448 11.007 ( 4.710 0.000 -6.118) 7.721 11.147 ( 3.572 0.000 4.634) 5.851 11.165 ( 4.627 0.000 9.487) 10.555 11.275 ( 11.305 0.000 9.888) 15.019 11.523 ( -4.133 -0.000 -5.574) 6.939 11.539 ( 11.207 0.000 -4.078) 11.926 11.851 ( 4.069 0.000 1.070) 4.208 11.911 ( -1.422 0.000 7.235) 7.374 12.083 ( 6.270 0.000 -4.656) 7.809 12.142 ( 12.414 0.000 -3.514) 12.902 12.457 ( -8.391 0.000 -0.702) 8.420 12.584 ( -9.041 0.000 0.386) 9.049 13.251 ( -23.554 0.000 -0.265) 23.556 13.304 ( -18.286 -0.000 1.474) 18.345 14.078 ( -10.252 0.000 -8.951) 13.610 14.115 ( -14.551 0.000 -8.566) 16.885 14.262 ( -2.823 -0.000 -6.323) 6.924 14.276 ( -0.959 0.000 -2.791) 2.951 14.663 ( -10.965 -0.000 9.478) 14.494 14.719 ( -8.834 0.000 7.260) 11.435 14.966 ( 4.090 0.000 -10.913) 11.655 15.003 ( 1.181 0.000 -9.064) 9.141 15.699 ( -3.695 0.000 -1.893) 4.151 15.713 ( -1.976 -0.000 -2.236) 2.984 19.169 ( 2.419 0.000 1.112) 2.663 19.191 ( 0.034 0.000 3.482) 3.482 19.301 ( 0.410 0.000 2.881) 2.910 19.354 ( 3.107 0.000 3.389) 4.598 19.740 ( -7.630 0.000 -7.316) 10.571 19.962 ( -1.062 0.000 1.627) 1.943 19.981 ( -0.901 -0.000 1.652) 1.882 20.255 ( -21.009 0.000 17.603) 27.409 21.730 ( 3.832 0.000 -6.658) 7.682 21.751 ( -5.778 -0.000 0.751) 5.826 21.817 ( -0.805 0.000 -8.877) 8.913 22.093 ( -1.346 0.000 0.793) 1.562 22.321 ( 3.827 0.000 1.959) 4.299 22.327 ( 3.963 -0.000 3.502) 5.289 22.802 ( 23.406 0.000 -15.756) 28.215 23.559 ( 17.385 0.000 9.377) 19.752======================= Grid point 83 (34/90) =======================q-point: ( 0.30 -0.50 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.175 ( 19.869 0.000 5.886) 20.723 2.256 ( 18.599 0.000 5.243) 19.323 2.332 ( 22.774 -0.000 8.307) 24.242 2.525 ( 20.621 0.000 8.383) 22.260 3.043 ( -4.563 -0.000 -0.428) 4.583 3.056 ( -2.426 0.000 -0.563) 2.491 3.359 ( 9.805 0.000 -5.188) 11.093 3.601 ( 11.689 -0.000 3.974) 12.346 3.615 ( 3.086 0.000 -5.503) 6.309 3.760 ( -5.550 0.000 0.694) 5.594 4.043 ( -5.070 0.000 -0.583) 5.104 4.063 ( -3.567 0.000 -0.428) 3.593 4.149 ( 9.010 0.000 3.118) 9.534 4.415 ( 1.422 -0.000 10.376) 10.473 4.681 ( 0.917 -0.000 -0.884) 1.273 4.688 ( 7.684 0.000 -5.196) 9.276 5.037 ( 1.261 0.000 -0.959) 1.584 5.244 ( -4.215 0.000 -0.659) 4.267 5.276 ( 2.557 0.000 -1.076) 2.774 5.404 ( -9.958 0.000 -3.675) 10.615 5.428 ( -14.261 0.000 -2.630) 14.502 5.609 ( 6.535 0.000 14.230) 15.659 5.909 ( 1.938 -0.000 0.401) 1.979 5.927 ( -3.108 0.000 -0.157) 3.112 6.047 ( -3.622 -0.000 -10.710) 11.306 6.328 ( 0.735 0.000 -4.495) 4.555 6.787 ( -2.393 -0.000 -0.123) 2.396 6.870 ( 3.890 0.000 -0.955) 4.005 7.244 ( -6.019 0.000 1.000) 6.102 7.470 ( -4.127 0.000 11.020) 11.767 7.692 ( 2.074 0.000 -7.029) 7.329 8.027 ( -2.334 0.000 6.099) 6.530 8.148 ( -5.005 0.000 -1.848) 5.335 8.239 ( -5.057 -0.000 0.752) 5.113 9.375 ( 3.766 0.000 -7.699) 8.571 9.628 ( -2.290 0.000 -0.686) 2.391 9.734 ( 3.218 0.000 0.210) 3.225 9.824 ( 5.067 -0.000 6.200) 8.007 9.990 ( -2.651 0.000 -7.366) 7.829 10.107 ( 0.565 0.000 -7.222) 7.244 10.307 ( 1.559 0.000 -5.569) 5.783 10.412 ( 1.637 0.000 4.966) 5.229 10.610 ( 8.655 -0.000 -0.813) 8.693 10.659 ( 5.689 0.000 2.931) 6.400 11.049 ( -1.473 0.000 -11.087) 11.184 11.186 ( -0.055 -0.000 -0.571) 0.573 11.268 ( 4.568 -0.000 6.364) 7.834 11.322 ( -11.050 0.000 -3.875) 11.710 11.520 ( 12.823 0.000 8.968) 15.648 11.576 ( -0.871 -0.000 3.288) 3.402 11.980 ( 4.259 0.000 -1.622) 4.558 12.015 ( 7.836 0.000 6.401) 10.118 12.175 ( -0.537 0.000 -5.534) 5.560 12.275 ( -3.506 0.000 5.031) 6.132 12.430 ( -2.046 0.000 5.088) 5.484 12.441 ( 11.216 0.000 2.757) 11.550 12.829 ( -17.927 -0.000 2.907) 18.161 13.021 ( -11.721 0.000 9.112) 14.847 13.723 ( -19.904 0.000 -10.978) 22.731 13.805 ( -16.790 0.000 -7.898) 18.555 14.254 ( 0.207 -0.000 -1.598) 1.611 14.258 ( -1.126 0.000 -1.837) 2.155 14.508 ( -6.169 -0.000 3.798) 7.244 14.544 ( -7.624 0.000 5.762) 9.557 15.060 ( 5.187 -0.000 -8.136) 9.649 15.064 ( 4.268 0.000 -7.968) 9.039 15.599 ( -6.328 0.000 -4.294) 7.648 15.622 ( -6.879 0.000 -3.992) 7.953 19.198 ( 0.800 -0.000 1.714) 1.891 19.229 ( 3.449 0.000 1.348) 3.703 19.305 ( -0.016 0.000 0.784) 0.785 19.404 ( 1.685 0.000 3.106) 3.533 19.651 ( -2.065 0.000 -3.454) 4.024 19.933 ( -4.122 0.000 6.243) 7.481 19.959 ( -8.035 0.000 7.558) 11.031 19.963 ( -0.954 -0.000 2.380) 2.564 21.651 ( -4.086 0.000 -0.618) 4.132 21.671 ( -3.941 0.000 -0.692) 4.002 21.882 ( 3.169 0.000 -9.590) 10.100 22.064 ( -1.655 0.000 -0.697) 1.796 22.370 ( 1.384 0.000 1.489) 2.033 22.380 ( 1.506 -0.000 3.034) 3.387 23.223 ( 18.319 0.000 -16.892) 24.918 23.761 ( 4.667 0.000 3.763) 5.995======================= Grid point 85 (35/90) =======================q-point: ( 0.40 -0.50 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.525 ( 14.382 0.000 2.459) 14.591 2.581 ( 12.733 0.000 1.444) 12.814 2.738 ( 16.966 -0.000 4.024) 17.437 2.845 ( 7.719 -0.000 0.408) 7.730 2.992 ( -2.530 0.000 2.224) 3.369 3.009 ( 4.832 0.000 6.841) 8.375 3.454 ( 3.529 0.000 -6.891) 7.742 3.538 ( -9.213 0.000 -10.077) 13.654 3.657 ( -2.747 0.000 -5.678) 6.308 3.795 ( -3.212 0.000 5.893) 6.712 3.967 ( 2.666 0.000 7.923) 8.360 4.019 ( 2.838 0.000 5.508) 6.196 4.389 ( 10.605 -0.000 0.205) 10.607 4.442 ( 1.787 0.000 6.527) 6.767 4.702 ( 0.769 0.000 -8.171) 8.207 4.727 ( -3.225 0.000 -9.523) 10.054 5.028 ( -1.531 0.000 -0.483) 1.605 5.102 ( -9.846 0.000 -0.035) 9.846 5.178 ( -9.128 0.000 -1.979) 9.340 5.199 ( -6.823 -0.000 -2.345) 7.215 5.370 ( 5.857 -0.000 -1.953) 6.174 5.642 ( -4.772 0.000 5.701) 7.434 5.941 ( 2.980 0.000 0.265) 2.992 5.989 ( 0.276 -0.000 -4.666) 4.674 6.083 ( 11.399 0.000 5.210) 12.533 6.367 ( 1.543 0.000 2.193) 2.682 6.746 ( -0.366 0.000 -5.249) 5.261 6.904 ( -1.152 0.000 -3.330) 3.524 7.201 ( 1.398 0.000 2.776) 3.109 7.383 ( -5.000 0.000 8.676) 10.014 7.752 ( 4.442 0.000 -2.499) 5.096 7.960 ( -4.356 0.000 0.680) 4.408 8.053 ( -3.609 0.000 4.458) 5.736 8.126 ( -5.844 0.000 2.858) 6.505 9.463 ( 4.316 0.000 -8.268) 9.326 9.579 ( -2.504 0.000 -4.823) 5.434 9.785 ( 1.948 0.000 -0.492) 2.009 9.884 ( -2.490 -0.000 -4.285) 4.956 9.986 ( 6.151 0.000 2.634) 6.691 10.146 ( 2.049 0.000 -8.962) 9.193 10.351 ( 2.463 0.000 -7.178) 7.588 10.399 ( -1.703 0.000 4.299) 4.624 10.765 ( 5.486 -0.000 -3.074) 6.289 10.805 ( 7.616 0.000 1.481) 7.758 10.949 ( -7.300 -0.000 -12.320) 14.320 11.071 ( -8.585 0.000 -8.667) 12.199 11.232 ( 0.275 -0.000 7.134) 7.139 11.297 ( -0.810 0.000 7.804) 7.846 11.660 ( 7.840 0.000 2.551) 8.244 11.754 ( 9.592 0.000 6.192) 11.417 11.980 ( -2.911 0.000 1.353) 3.210 12.000 ( -5.350 -0.000 1.136) 5.469 12.219 ( -0.783 -0.000 4.506) 4.574 12.230 ( 6.394 0.000 7.272) 9.683 12.504 ( 5.294 0.000 3.396) 6.290 12.553 ( -5.247 -0.000 10.479) 11.719 12.681 ( 5.565 -0.000 1.777) 5.842 12.777 ( -12.877 0.000 8.481) 15.419 13.434 ( -9.100 -0.000 -8.315) 12.327 13.481 ( -13.913 0.000 -7.313) 15.718 14.244 ( 0.228 0.000 -1.757) 1.772 14.271 ( 1.669 0.000 -0.511) 1.745 14.392 ( -5.686 0.000 0.329) 5.695 14.423 ( -5.033 0.000 2.276) 5.523 15.163 ( 5.820 -0.000 -6.561) 8.771 15.171 ( 6.108 0.000 -6.365) 8.822 15.460 ( -7.596 0.000 -4.826) 8.999 15.465 ( -8.528 0.000 -4.760) 9.767 19.221 ( 1.475 -0.000 0.785) 1.671 19.273 ( -0.081 0.000 2.857) 2.858 19.322 ( 2.670 0.000 -1.665) 3.147 19.413 ( -0.775 0.000 1.828) 1.986 19.645 ( 1.219 0.000 0.019) 1.219 19.785 ( -6.204 0.000 6.588) 9.049 19.927 ( -0.462 0.000 3.602) 3.632 19.943 ( -1.023 -0.000 3.453) 3.601 21.595 ( -1.597 0.000 -1.914) 2.493 21.611 ( -2.170 0.000 -1.866) 2.862 21.935 ( 2.531 0.000 -6.766) 7.224 22.027 ( -2.051 0.000 -2.651) 3.351 22.385 ( 0.303 0.000 1.611) 1.639 22.393 ( 0.018 -0.000 2.663) 2.663 23.515 ( 11.756 0.000 -12.555) 17.200 23.781 ( -2.028 0.000 -1.787) 2.703======================= Grid point 87 (36/90) =======================q-point: (-0.50 -0.50 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 81Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.687 ( -1.759 -0.000 -0.242) 1.775 2.687 ( 1.759 0.000 -0.242) 1.775 2.898 ( -0.635 0.000 -0.407) 0.754 2.898 ( 0.635 0.000 -0.407) 0.754 3.051 ( -6.242 -0.000 5.873) 8.571 3.051 ( 6.242 0.000 5.873) 8.571 3.483 ( -4.357 0.000 -8.842) 9.857 3.483 ( 4.357 0.000 -8.842) 9.857 3.631 ( -7.794 0.000 3.159) 8.410 3.631 ( 7.794 0.000 3.159) 8.410 4.060 ( -1.658 -0.000 8.475) 8.636 4.060 ( 1.658 0.000 8.475) 8.636 4.486 ( -1.393 0.000 -1.097) 1.773 4.486 ( 1.393 0.000 -1.097) 1.773 4.678 ( -1.577 0.000 -8.786) 8.926 4.678 ( 1.577 0.000 -8.786) 8.926 5.002 ( -0.258 0.000 0.146) 0.297 5.002 ( 0.258 0.000 0.146) 0.297 5.111 ( -1.922 -0.000 -1.824) 2.649 5.111 ( 1.922 -0.000 -1.824) 2.649 5.502 ( -7.731 -0.000 -1.308) 7.841 5.502 ( 7.731 0.000 -1.308) 7.841 5.987 ( -1.012 0.000 -1.718) 1.994 5.987 ( 1.012 -0.000 -1.718) 1.994 6.299 ( -8.588 0.000 8.511) 12.091 6.299 ( 8.588 0.000 8.511) 12.091 6.819 ( -6.391 0.000 -6.972) 9.458 6.819 ( 6.391 0.000 -6.972) 9.458 7.276 ( -5.399 0.000 4.562) 7.068 7.276 ( 5.399 0.000 4.562) 7.068 7.859 ( -5.840 -0.000 -0.931) 5.914 7.859 ( 5.840 0.000 -0.931) 5.914 8.038 ( -2.324 0.000 6.248) 6.666 8.038 ( 2.324 0.000 6.248) 6.666 9.530 ( -2.686 0.000 -7.555) 8.018 9.530 ( 2.686 -0.000 -7.555) 8.018 9.824 ( -2.482 0.000 -4.007) 4.714 9.824 ( 2.482 0.000 -4.007) 4.714 10.120 ( -5.276 0.000 0.643) 5.315 10.120 ( 5.276 0.000 0.643) 5.315 10.381 ( -0.478 0.000 -5.354) 5.375 10.381 ( 0.478 0.000 -5.354) 5.375 10.827 ( -3.192 -0.000 -8.539) 9.116 10.827 ( 3.192 -0.000 -8.539) 9.116 10.941 ( -5.545 0.000 -2.178) 5.958 10.941 ( 5.545 0.000 -2.178) 5.958 11.263 ( -2.328 0.000 8.098) 8.426 11.263 ( 2.328 0.000 8.098) 8.426 11.798 ( -4.860 0.000 1.546) 5.100 11.798 ( 4.860 0.000 1.546) 5.100 11.948 ( -0.486 0.000 5.187) 5.210 11.948 ( 0.486 0.000 5.187) 5.210 12.283 ( -3.858 0.000 4.622) 6.020 12.283 ( 3.858 0.000 4.622) 6.020 12.493 ( -1.510 0.000 5.368) 5.576 12.493 ( 1.510 0.000 5.368) 5.576 12.701 ( -3.453 0.000 8.740) 9.397 12.701 ( 3.453 0.000 8.740) 9.397 13.343 ( -0.018 0.000 -7.979) 7.979 13.343 ( 0.018 0.000 -7.979) 7.979 14.279 ( -2.926 0.000 -1.414) 3.250 14.279 ( 2.926 0.000 -1.414) 3.250 14.341 ( -2.885 0.000 0.405) 2.914 14.341 ( 2.885 0.000 0.405) 2.914 15.276 ( -1.258 0.000 -5.592) 5.732 15.276 ( 1.258 -0.000 -5.592) 5.732 15.330 ( -0.915 0.000 -5.138) 5.219 15.330 ( 0.915 0.000 -5.138) 5.219 19.252 ( -1.528 -0.000 0.973) 1.812 19.252 ( 1.528 0.000 0.973) 1.812 19.379 ( -2.562 0.000 0.325) 2.583 19.379 ( 2.562 -0.000 0.325) 2.583 19.692 ( -3.469 0.000 3.158) 4.691 19.692 ( 3.469 0.000 3.158) 4.691 19.927 ( -0.479 0.000 4.000) 4.028 19.927 ( 0.479 0.000 4.000) 4.028 21.585 ( -0.478 0.000 -2.386) 2.433 21.585 ( 0.478 0.000 -2.386) 2.433 21.984 ( -2.381 0.000 -4.716) 5.283 21.984 ( 2.381 0.000 -4.716) 5.283 22.389 ( -0.241 -0.000 2.149) 2.162 22.389 ( 0.241 -0.000 2.149) 2.162 23.694 ( -6.706 0.000 -7.251) 9.877 23.694 ( 6.706 0.000 -7.251) 9.877======================= Grid point 110 (37/90) =======================q-point: ( 0.00 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.308 ( 0.000 0.000 31.185) 31.185 1.350 ( 0.000 0.000 27.719) 27.719 2.230 ( 0.000 0.000 32.199) 32.199 2.650 ( 0.000 0.000 12.836) 12.836 2.677 ( 0.000 0.000 8.665) 8.665 2.813 ( 0.000 0.000 28.712) 28.712 3.033 ( 0.000 0.000 7.138) 7.138 3.216 ( 0.000 0.000 -6.464) 6.464 3.683 ( 0.000 0.000 -4.286) 4.286 3.822 ( 0.000 0.000 -0.716) 0.716 3.871 ( 0.000 0.000 15.776) 15.776 4.118 ( 0.000 0.000 7.509) 7.509 4.403 ( 0.000 0.000 4.491) 4.491 4.796 ( 0.000 0.000 2.996) 2.996 4.815 ( 0.000 0.000 -0.083) 0.083 5.005 ( 0.000 0.000 -6.299) 6.299 5.014 ( 0.000 0.000 -3.740) 3.740 5.114 ( 0.000 0.000 1.082) 1.082 5.242 ( 0.000 0.000 0.161) 0.161 5.386 ( 0.000 0.000 2.650) 2.650 5.397 ( 0.000 0.000 -17.619) 17.619 5.757 ( 0.000 0.000 4.243) 4.243 5.765 ( 0.000 0.000 7.936) 7.936 6.100 ( 0.000 0.000 -13.174) 13.174 6.107 ( 0.000 0.000 -8.162) 8.162 6.143 ( 0.000 0.000 1.520) 1.520 6.476 ( 0.000 0.000 -5.774) 5.774 6.860 ( 0.000 0.000 2.627) 2.627 7.377 ( 0.000 0.000 7.533) 7.533 7.819 ( 0.000 0.000 0.569) 0.569 7.864 ( 0.000 0.000 -1.237) 1.237 7.916 ( 0.000 0.000 -1.114) 1.114 8.006 ( 0.000 0.000 7.709) 7.709 8.646 ( 0.000 0.000 7.920) 7.920 9.474 ( 0.000 0.000 -9.754) 9.754 9.479 ( 0.000 0.000 -9.851) 9.851 9.713 ( 0.000 0.000 8.898) 8.898 9.974 ( 0.000 0.000 3.105) 3.105 10.127 ( 0.000 0.000 4.296) 4.296 10.135 ( 0.000 0.000 4.095) 4.095 10.225 ( 0.000 0.000 -0.753) 0.753 10.401 ( 0.000 0.000 2.300) 2.300 10.574 ( 0.000 0.000 -8.139) 8.139 10.615 ( 0.000 0.000 13.995) 13.995 10.990 ( 0.000 0.000 -3.022) 3.022 11.014 ( 0.000 0.000 -4.154) 4.154 11.090 ( 0.000 0.000 1.673) 1.673 11.228 ( 0.000 0.000 5.502) 5.502 11.339 ( 0.000 0.000 9.991) 9.991 11.379 ( 0.000 0.000 8.395) 8.395 11.558 ( 0.000 0.000 -5.463) 5.463 11.766 ( 0.000 0.000 -4.167) 4.167 11.851 ( 0.000 0.000 -2.389) 2.389 12.248 ( 0.000 0.000 -4.533) 4.533 12.438 ( 0.000 0.000 -17.722) 17.722 12.884 ( 0.000 0.000 -9.593) 9.593 13.045 ( 0.000 0.000 6.544) 6.544 13.808 ( 0.000 0.000 -14.710) 14.710 14.014 ( 0.000 0.000 -1.172) 1.172 14.018 ( 0.000 0.000 1.214) 1.214 14.244 ( 0.000 0.000 -20.362) 20.362 14.437 ( 0.000 0.000 -10.966) 10.966 14.448 ( 0.000 0.000 -1.603) 1.603 14.497 ( 0.000 0.000 -3.513) 3.513 15.245 ( 0.000 0.000 -2.179) 2.179 15.377 ( 0.000 0.000 3.888) 3.888 15.467 ( 0.000 0.000 -0.484) 0.484 15.960 ( 0.000 0.000 -7.545) 7.545 19.112 ( 0.000 0.000 1.777) 1.777 19.296 ( 0.000 0.000 2.430) 2.430 19.428 ( 0.000 0.000 5.347) 5.347 19.703 ( 0.000 0.000 -3.745) 3.745 19.728 ( 0.000 0.000 2.097) 2.097 20.117 ( 0.000 0.000 0.269) 0.269 20.173 ( 0.000 0.000 -1.713) 1.713 20.260 ( 0.000 0.000 -13.845) 13.845 21.817 ( 0.000 0.000 11.292) 11.292 21.975 ( 0.000 0.000 2.078) 2.078 22.016 ( 0.000 0.000 0.703) 0.703 22.102 ( 0.000 0.000 0.182) 0.182 22.250 ( 0.000 0.000 4.211) 4.211 22.361 ( 0.000 0.000 5.942) 5.942 22.403 ( 0.000 0.000 7.525) 7.525 22.924 ( 0.000 0.000 -4.999) 4.999======================= Grid point 111 (38/90) =======================q-point: ( 0.10 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.463 ( 14.738 0.000 27.141) 30.884 1.550 ( 16.974 0.000 23.239) 28.778 2.403 ( 16.706 0.000 24.361) 29.539 2.686 ( 3.088 0.000 10.196) 10.654 2.718 ( 3.527 0.000 8.434) 9.142 2.809 ( 2.386 0.000 24.570) 24.686 2.975 ( -4.610 0.000 6.190) 7.718 3.188 ( -2.450 0.000 -5.729) 6.231 3.682 ( -0.063 0.000 -2.855) 2.855 3.851 ( 3.094 0.000 -0.899) 3.222 4.017 ( 11.872 0.000 12.017) 16.892 4.089 ( -2.507 0.000 8.714) 9.067 4.342 ( -6.148 0.000 4.094) 7.387 4.778 ( -1.999 0.000 0.529) 2.068 4.800 ( -0.646 0.000 3.622) 3.679 4.953 ( -6.009 0.000 -2.811) 6.634 5.041 ( 2.453 0.000 -2.102) 3.230 5.186 ( 7.180 0.000 -1.918) 7.432 5.198 ( -4.283 0.000 -0.854) 4.367 5.242 ( -10.233 0.000 -12.383) 16.064 5.372 ( -1.051 0.000 1.328) 1.693 5.735 ( -2.554 0.000 4.280) 4.984 5.827 ( 5.254 0.000 8.058) 9.620 6.071 ( -2.591 0.000 -5.802) 6.354 6.155 ( 1.095 0.000 -3.166) 3.350 6.357 ( 17.773 0.000 -15.665) 23.691 6.500 ( 2.650 0.000 -7.277) 7.744 6.755 ( -9.886 0.000 0.660) 9.908 7.332 ( -4.182 0.000 7.802) 8.853 7.730 ( -7.360 0.000 0.960) 7.422 7.893 ( 1.267 0.000 -1.402) 1.889 7.909 ( 0.743 0.000 0.844) 1.124 8.065 ( 3.685 0.000 5.141) 6.325 8.636 ( -1.049 0.000 5.979) 6.071 9.441 ( -2.042 0.000 -8.266) 8.514 9.509 ( 1.155 0.000 -11.500) 11.558 9.689 ( -2.117 0.000 9.524) 9.757 9.990 ( 1.298 0.000 3.432) 3.669 10.013 ( -9.448 0.000 4.153) 10.321 10.151 ( -6.389 0.000 2.808) 6.978 10.152 ( 1.055 0.000 5.142) 5.250 10.326 ( -0.416 0.000 3.629) 3.653 10.476 ( -7.714 0.000 3.350) 8.410 10.656 ( 2.127 0.000 -10.733) 10.942 10.997 ( 2.128 0.000 2.492) 3.277 11.008 ( 0.683 0.000 -3.722) 3.784 11.211 ( 5.596 0.000 2.693) 6.210 11.368 ( 6.378 0.000 7.856) 10.119 11.402 ( 0.568 0.000 3.697) 3.741 11.458 ( 12.530 0.000 5.274) 13.594 11.615 ( 9.764 0.000 -1.351) 9.857 11.824 ( 5.602 0.000 -4.567) 7.228 11.933 ( 7.986 0.000 -2.216) 8.288 12.157 ( -7.435 0.000 0.428) 7.447 12.417 ( -1.549 0.000 -14.727) 14.808 12.783 ( -9.465 0.000 -7.506) 12.080 13.035 ( -0.850 0.000 10.016) 10.052 13.648 ( -12.202 0.000 -10.151) 15.873 14.044 ( -3.316 0.000 -7.554) 8.250 14.096 ( 6.269 0.000 -2.453) 6.732 14.219 ( -13.601 0.000 -7.931) 15.744 14.222 ( 1.658 0.000 -10.703) 10.831 14.586 ( 6.821 0.000 -7.090) 9.838 14.600 ( 6.709 0.000 -7.787) 10.279 15.084 ( -14.614 0.000 1.266) 14.669 15.227 ( -11.093 0.000 4.595) 12.007 15.532 ( 2.724 0.000 -2.938) 4.007 15.867 ( -8.494 0.000 -6.040) 10.422 19.134 ( 2.058 0.000 1.565) 2.585 19.300 ( 0.451 0.000 2.468) 2.509 19.451 ( 2.395 0.000 5.343) 5.855 19.553 ( -15.656 0.000 0.074) 15.656 19.712 ( -1.643 0.000 1.725) 2.382 19.806 ( -4.645 0.000 -0.000) 4.645 20.174 ( 0.053 0.000 -0.722) 0.724 20.809 ( 24.672 0.000 -16.112) 29.468 21.312 ( -30.509 0.000 17.469) 35.157 21.926 ( -4.666 0.000 2.449) 5.270 21.954 ( -9.994 0.000 -0.157) 9.995 22.026 ( -0.982 0.000 0.798) 1.265 22.362 ( 5.184 0.000 1.910) 5.524 22.363 ( 5.886 0.000 6.376) 8.677 22.420 ( 2.136 0.000 3.932) 4.475 23.379 ( 26.530 0.000 -12.207) 29.203======================= Grid point 112 (39/90) =======================q-point: ( 0.20 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.829 ( 21.160 0.000 19.669) 28.889 1.908 ( 18.521 0.000 17.208) 25.281 2.715 ( -1.407 0.000 1.938) 2.395 2.718 ( 8.043 0.000 5.369) 9.670 2.821 ( 7.507 0.000 5.906) 9.552 2.946 ( 3.577 0.000 5.690) 6.721 3.012 ( 21.344 0.000 21.010) 29.950 3.143 ( -1.632 0.000 -3.721) 4.063 3.675 ( -0.655 0.000 -1.116) 1.295 3.933 ( 4.319 0.000 -2.650) 5.068 4.042 ( -1.855 0.000 9.390) 9.571 4.194 ( -7.322 0.000 6.540) 9.817 4.253 ( 10.879 0.000 7.052) 12.965 4.703 ( -5.921 0.000 -2.551) 6.447 4.779 ( -3.805 0.000 2.196) 4.394 4.831 ( -5.241 0.000 0.880) 5.315 5.031 ( -7.638 0.000 -9.443) 12.145 5.054 ( -1.518 0.000 -1.069) 1.857 5.161 ( -0.113 0.000 -5.357) 5.358 5.352 ( 7.547 0.000 -3.412) 8.283 5.377 ( 2.540 0.000 3.767) 4.543 5.638 ( -7.626 0.000 3.923) 8.576 5.912 ( 2.041 0.000 4.932) 5.338 6.004 ( -3.767 0.000 1.034) 3.906 6.195 ( 3.234 0.000 -2.374) 4.012 6.520 ( -12.628 0.000 -1.928) 12.774 6.545 ( 4.303 0.000 -4.352) 6.120 6.666 ( 10.273 0.000 -16.312) 19.278 7.243 ( -4.118 0.000 7.219) 8.311 7.577 ( -6.958 0.000 -0.953) 7.023 7.888 ( -2.030 0.000 0.290) 2.051 7.958 ( 3.796 0.000 2.518) 4.555 8.092 ( -1.504 0.000 2.459) 2.882 8.598 ( -3.030 0.000 1.830) 3.540 9.395 ( -2.955 0.000 -10.589) 10.993 9.495 ( -2.658 0.000 -5.738) 6.324 9.656 ( -0.665 0.000 10.083) 10.105 9.869 ( -3.759 0.000 0.639) 3.813 9.958 ( -4.374 0.000 1.884) 4.762 10.119 ( 4.411 0.000 7.214) 8.456 10.185 ( 2.158 0.000 2.167) 3.058 10.373 ( -3.651 0.000 -4.522) 5.812 10.393 ( 6.100 0.000 2.934) 6.769 10.648 ( -1.712 0.000 -10.305) 10.446 11.026 ( 0.895 0.000 -3.151) 3.275 11.028 ( -0.100 0.000 -4.762) 4.763 11.276 ( -2.932 0.000 5.431) 6.171 11.377 ( 4.250 0.000 3.223) 5.334 11.477 ( 6.429 0.000 11.093) 12.821 11.758 ( 13.542 0.000 -1.818) 13.664 11.818 ( 5.066 0.000 -2.826) 5.801 11.969 ( 9.214 0.000 -4.074) 10.075 12.052 ( -0.324 0.000 11.257) 11.261 12.134 ( 11.291 0.000 -2.281) 11.519 12.412 ( 1.794 0.000 -6.474) 6.718 12.574 ( -9.737 0.000 -0.819) 9.772 13.006 ( -2.337 0.000 13.887) 14.082 13.393 ( -12.934 0.000 -6.104) 14.302 13.882 ( -21.337 0.000 -8.551) 22.986 13.903 ( -9.529 0.000 -12.646) 15.835 14.188 ( 2.400 0.000 -1.175) 2.673 14.267 ( 1.092 0.000 -3.630) 3.790 14.715 ( 4.854 0.000 -9.481) 10.651 14.718 ( 5.817 0.000 -7.790) 9.722 14.784 ( -12.912 0.000 3.901) 13.489 14.988 ( -12.241 0.000 3.970) 12.869 15.548 ( -1.079 0.000 -6.934) 7.017 15.667 ( -11.177 0.000 -5.427) 12.424 19.185 ( 2.965 0.000 1.053) 3.147 19.301 ( -4.059 0.000 5.409) 6.762 19.319 ( -3.451 0.000 -0.241) 3.460 19.525 ( 5.154 0.000 4.835) 7.067 19.665 ( -3.000 0.000 1.457) 3.335 19.778 ( -0.167 0.000 -0.983) 0.997 20.171 ( -0.504 0.000 1.700) 1.773 20.606 ( -24.381 0.000 16.172) 29.257 21.376 ( 16.353 0.000 -14.935) 22.146 21.766 ( -8.718 0.000 -1.430) 8.834 21.810 ( -6.755 0.000 2.042) 7.057 21.990 ( -2.518 0.000 -0.343) 2.541 22.415 ( 1.000 0.000 6.592) 6.667 22.497 ( 3.810 0.000 1.704) 4.174 22.563 ( 14.779 0.000 -4.236) 15.374 23.730 ( 9.485 0.000 -13.417) 16.432======================= Grid point 113 (40/90) =======================q-point: ( 0.30 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.251 ( 20.999 0.000 12.481) 24.428 2.262 ( 17.163 0.000 9.653) 19.691 2.682 ( -0.439 0.000 -3.302) 3.331 2.762 ( -0.487 0.000 3.640) 3.672 3.001 ( 10.463 0.000 2.606) 10.783 3.078 ( 7.678 0.000 2.855) 8.191 3.130 ( 0.666 0.000 -3.003) 3.076 3.475 ( 19.043 0.000 11.412) 22.200 3.672 ( 2.849 0.000 -2.566) 3.834 3.926 ( -5.503 0.000 -9.743) 11.189 4.034 ( 1.745 0.000 13.868) 13.978 4.149 ( 1.547 0.000 11.389) 11.493 4.354 ( -2.802 0.000 0.897) 2.942 4.560 ( -7.050 0.000 -6.131) 9.343 4.652 ( -8.000 0.000 -1.315) 8.108 4.740 ( -3.801 0.000 -2.979) 4.829 4.942 ( -0.878 0.000 -8.227) 8.273 4.988 ( -4.699 0.000 -2.845) 5.493 5.242 ( 6.135 0.000 -4.925) 7.867 5.333 ( -12.595 0.000 2.180) 12.783 5.510 ( -2.065 0.000 -0.468) 2.117 5.514 ( 11.884 0.000 8.978) 14.894 5.911 ( -0.168 0.000 0.809) 0.826 5.941 ( -3.736 0.000 4.232) 5.645 6.247 ( -0.704 0.000 1.924) 2.049 6.346 ( -1.035 0.000 -1.360) 1.709 6.612 ( 1.275 0.000 -4.781) 4.948 6.807 ( 4.541 0.000 -6.379) 7.830 7.192 ( -0.443 0.000 6.255) 6.271 7.495 ( -1.062 0.000 -2.322) 2.554 7.817 ( -4.854 0.000 0.753) 4.912 7.985 ( -6.180 0.000 6.181) 8.740 8.060 ( 3.447 0.000 -1.140) 3.631 8.515 ( -5.377 0.000 -1.645) 5.623 9.322 ( -3.926 0.000 -12.249) 12.863 9.431 ( -3.512 0.000 -1.773) 3.934 9.670 ( 2.055 0.000 8.794) 9.031 9.853 ( 1.369 0.000 -6.849) 6.984 9.892 ( -2.308 0.000 0.920) 2.484 10.213 ( -0.110 0.000 -1.675) 1.679 10.244 ( 6.796 0.000 8.759) 11.086 10.324 ( -0.764 0.000 -9.754) 9.784 10.521 ( 5.676 0.000 1.159) 5.793 10.619 ( -0.850 0.000 -7.775) 7.821 10.974 ( -5.286 0.000 -11.878) 13.001 11.067 ( 4.253 0.000 -2.618) 4.994 11.157 ( -7.025 0.000 3.348) 7.782 11.546 ( 10.521 0.000 7.319) 12.817 11.600 ( 4.664 0.000 9.620) 10.691 11.813 ( -1.323 0.000 1.428) 1.946 11.900 ( 2.319 0.000 -7.535) 7.884 12.134 ( 5.551 0.000 13.125) 14.251 12.157 ( 5.933 0.000 2.698) 6.517 12.342 ( 10.580 0.000 -0.934) 10.621 12.484 ( 4.480 0.000 2.821) 5.294 12.507 ( 5.139 0.000 4.586) 6.888 12.943 ( -3.972 0.000 13.253) 13.836 13.169 ( -9.508 0.000 -2.303) 9.783 13.406 ( -25.499 0.000 -2.112) 25.586 13.686 ( -12.354 0.000 -13.362) 18.198 14.208 ( 0.647 0.000 -1.160) 1.329 14.255 ( -1.901 0.000 -2.170) 2.885 14.576 ( -8.143 0.000 2.816) 8.616 14.663 ( -12.139 0.000 1.140) 12.193 14.828 ( 5.666 0.000 -10.474) 11.908 14.915 ( 5.978 0.000 -6.632) 8.928 15.447 ( -10.852 0.000 -6.117) 12.458 15.493 ( -4.407 0.000 -9.044) 10.061 19.220 ( -1.747 0.000 3.150) 3.602 19.247 ( 3.419 0.000 0.375) 3.439 19.314 ( -0.340 0.000 1.892) 1.922 19.581 ( -3.414 0.000 -2.566) 4.271 19.664 ( 6.718 0.000 8.397) 10.754 19.783 ( 0.620 0.000 -0.461) 0.773 20.147 ( -2.174 0.000 4.410) 4.916 20.216 ( -15.413 0.000 12.682) 19.960 21.603 ( 7.613 0.000 -11.180) 13.526 21.622 ( -5.794 0.000 -2.631) 6.364 21.679 ( -6.275 0.000 0.258) 6.280 21.932 ( -3.315 0.000 -1.876) 3.809 22.431 ( 0.899 0.000 4.294) 4.387 22.541 ( 0.657 0.000 2.325) 2.416 22.898 ( 18.100 0.000 -10.580) 20.966 23.796 ( -1.594 0.000 -12.178) 12.282======================= Grid point 114 (41/90) =======================q-point: ( 0.40 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.551 ( 11.547 0.000 3.729) 12.134 2.604 ( 13.028 0.000 3.663) 13.533 2.719 ( 4.042 0.000 -6.192) 7.395 2.751 ( -0.609 0.000 0.777) 0.987 3.123 ( 1.927 0.000 2.793) 3.393 3.214 ( 11.047 0.000 4.470) 11.917 3.243 ( 5.279 0.000 -0.762) 5.334 3.550 ( -3.594 0.000 7.823) 8.609 3.826 ( -3.369 0.000 -7.428) 8.156 3.932 ( 14.899 0.000 -5.558) 15.902 4.001 ( -9.528 0.000 9.643) 13.556 4.191 ( 7.519 0.000 8.208) 11.131 4.218 ( -7.537 0.000 -4.582) 8.820 4.491 ( -7.048 0.000 -2.691) 7.544 4.510 ( 0.066 0.000 -5.454) 5.454 4.624 ( -8.160 0.000 -7.416) 11.027 4.892 ( -4.454 0.000 -1.525) 4.708 5.014 ( 6.574 0.000 -3.672) 7.530 5.039 ( -13.573 0.000 3.526) 14.024 5.283 ( -3.275 0.000 -4.701) 5.729 5.491 ( 0.671 0.000 0.706) 0.974 5.786 ( -11.212 0.000 3.384) 11.711 5.804 ( 15.920 0.000 8.180) 17.898 5.994 ( 8.057 0.000 1.884) 8.274 6.275 ( 4.696 0.000 3.960) 6.143 6.387 ( 1.463 0.000 3.581) 3.868 6.590 ( -2.193 0.000 -5.019) 5.478 6.795 ( -6.507 0.000 -6.815) 9.422 7.282 ( 10.138 0.000 9.261) 13.731 7.526 ( 3.633 0.000 -2.401) 4.354 7.713 ( -5.348 0.000 -0.415) 5.365 7.798 ( -11.932 0.000 5.960) 13.337 8.153 ( 5.405 0.000 0.260) 5.412 8.396 ( -6.466 0.000 -2.767) 7.033 9.268 ( -1.141 0.000 -10.870) 10.930 9.355 ( -4.131 0.000 -5.655) 7.003 9.727 ( 3.445 0.000 6.146) 7.046 9.851 ( -2.316 0.000 2.045) 3.089 9.912 ( 4.613 0.000 -10.165) 11.163 10.159 ( -5.363 0.000 -7.152) 8.940 10.311 ( 2.296 0.000 -8.382) 8.691 10.386 ( 3.654 0.000 -0.647) 3.711 10.591 ( 1.831 0.000 -0.768) 1.986 10.616 ( 0.145 0.000 -2.332) 2.337 10.863 ( -3.995 0.000 -10.634) 11.360 11.014 ( -7.459 0.000 3.776) 8.361 11.211 ( 9.971 0.000 -3.808) 10.673 11.596 ( -5.436 0.000 0.236) 5.441 11.748 ( 9.093 0.000 6.070) 10.933 11.827 ( 2.393 0.000 5.818) 6.290 11.968 ( 5.672 0.000 2.884) 6.363 12.167 ( -2.699 0.000 8.102) 8.540 12.235 ( 5.161 0.000 13.887) 14.815 12.527 ( 8.404 0.000 6.648) 10.716 12.532 ( -1.584 0.000 8.583) 8.728 12.732 ( 12.010 0.000 2.798) 12.331 12.855 ( -4.963 0.000 5.044) 7.076 12.977 ( -14.978 0.000 9.507) 17.740 13.020 ( -4.213 0.000 -4.789) 6.378 13.438 ( -12.630 0.000 -12.938) 18.081 14.220 ( -0.788 0.000 -2.318) 2.448 14.238 ( 2.600 0.000 -1.941) 3.244 14.420 ( -11.213 0.000 -0.744) 11.238 14.432 ( -6.771 0.000 0.228) 6.774 14.945 ( 6.418 0.000 -8.995) 11.049 15.064 ( 8.356 0.000 -7.475) 11.212 15.249 ( -9.308 0.000 -6.802) 11.528 15.380 ( -6.906 0.000 -8.907) 11.271 19.219 ( 1.253 0.000 2.974) 3.227 19.296 ( -1.584 0.000 2.492) 2.953 19.320 ( 4.037 0.000 -0.414) 4.058 19.496 ( -4.668 0.000 -1.653) 4.952 19.806 ( 1.832 0.000 0.945) 2.061 19.816 ( 8.034 0.000 7.647) 11.092 19.985 ( -8.607 0.000 7.628) 11.500 20.081 ( -4.659 0.000 6.465) 7.969 21.541 ( -2.421 0.000 -3.279) 4.075 21.576 ( -4.008 0.000 -1.971) 4.467 21.713 ( 4.350 0.000 -7.675) 8.822 21.863 ( -3.648 0.000 -3.574) 5.107 22.455 ( 1.559 0.000 3.120) 3.488 22.530 ( -1.518 0.000 2.498) 2.923 23.235 ( 15.691 0.000 -12.993) 20.372 23.699 ( -7.692 0.000 -12.190) 14.414======================= Grid point 115 (42/90) =======================q-point: (-0.50 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 81Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.707 ( -4.656 0.000 0.844) 4.732 2.707 ( 4.656 0.000 0.844) 4.732 2.747 ( -3.098 0.000 -5.626) 6.423 2.747 ( 3.098 0.000 -5.627) 6.423 3.232 ( -6.425 0.000 5.109) 8.209 3.232 ( 6.425 0.000 5.109) 8.209 3.422 ( -9.378 0.000 6.242) 11.265 3.422 ( 9.378 0.000 6.242) 11.265 3.828 ( -4.629 0.000 -2.238) 5.141 3.828 ( 4.629 0.000 -2.238) 5.141 4.116 ( -4.450 0.000 -6.900) 8.211 4.116 ( 4.450 0.000 -6.900) 8.211 4.399 ( -11.162 0.000 3.093) 11.583 4.399 ( 11.162 0.000 3.093) 11.583 4.466 ( -5.625 0.000 -5.336) 7.753 4.466 ( 5.625 0.000 -5.336) 7.753 4.875 ( -3.699 0.000 0.575) 3.744 4.875 ( 3.699 0.000 0.575) 3.744 5.159 ( -7.741 0.000 -3.429) 8.466 5.159 ( 7.741 0.000 -3.429) 8.466 5.578 ( -8.396 0.000 2.495) 8.759 5.578 ( 8.396 0.000 2.495) 8.759 6.050 ( -6.130 0.000 5.561) 8.277 6.050 ( 6.130 0.000 5.561) 8.277 6.367 ( -3.469 0.000 5.165) 6.222 6.367 ( 3.469 0.000 5.165) 6.222 6.625 ( -7.481 0.000 -7.107) 10.319 6.625 ( 7.481 0.000 -7.107) 10.319 7.535 ( -14.173 0.000 8.255) 16.401 7.535 ( 14.173 0.000 8.255) 16.401 7.613 ( -4.871 0.000 -1.732) 5.170 7.613 ( 4.871 0.000 -1.732) 5.170 8.269 ( -6.317 0.000 -1.432) 6.477 8.269 ( 6.317 0.000 -1.432) 6.477 9.284 ( -2.618 0.000 -9.021) 9.394 9.284 ( 2.618 0.000 -9.021) 9.394 9.795 ( -3.302 0.000 3.882) 5.097 9.795 ( 3.302 0.000 3.882) 5.097 10.029 ( -6.987 0.000 -10.397) 12.526 10.029 ( 6.987 0.000 -10.397) 12.526 10.378 ( -3.598 0.000 -9.074) 9.761 10.378 ( 3.598 0.000 -9.074) 9.761 10.612 ( -0.567 0.000 -0.633) 0.850 10.612 ( 0.567 0.000 -0.633) 0.850 10.880 ( -5.254 0.000 0.193) 5.257 10.880 ( 5.254 0.000 0.193) 5.257 11.425 ( -10.874 0.000 -3.875) 11.543 11.425 ( 10.874 0.000 -3.875) 11.543 11.856 ( -1.212 0.000 6.171) 6.289 11.856 ( 1.212 0.000 6.171) 6.289 12.087 ( -5.436 0.000 8.896) 10.425 12.087 ( 5.436 0.000 8.896) 10.425 12.380 ( -10.198 0.000 10.984) 14.988 12.380 ( 10.198 0.000 10.984) 14.988 12.705 ( -9.378 0.000 8.111) 12.399 12.705 ( 9.378 0.000 8.111) 12.399 12.829 ( -3.187 0.000 9.129) 9.669 12.829 ( 3.187 0.000 9.129) 9.669 13.175 ( -14.355 0.000 -11.649) 18.487 13.175 ( 14.355 0.000 -11.649) 18.487 14.256 ( -5.024 0.000 -2.469) 5.598 14.256 ( 5.024 0.000 -2.469) 5.598 14.313 ( -5.088 0.000 -1.529) 5.313 14.313 ( 5.088 0.000 -1.529) 5.313 15.083 ( -7.669 0.000 -7.623) 10.814 15.083 ( 7.669 0.000 -7.623) 10.814 15.229 ( -8.282 0.000 -7.985) 11.505 15.229 ( 8.282 0.000 -7.985) 11.505 19.256 ( -2.222 0.000 2.923) 3.672 19.256 ( 2.222 0.000 2.923) 3.672 19.405 ( -4.563 0.000 -1.137) 4.702 19.405 ( 4.563 0.000 -1.137) 4.702 19.863 ( -4.251 0.000 3.536) 5.529 19.863 ( 4.251 0.000 3.536) 5.529 19.966 ( -6.929 0.000 7.454) 10.177 19.966 ( 6.929 0.000 7.454) 10.177 21.527 ( -0.928 0.000 -3.218) 3.349 21.527 ( 0.928 0.000 -3.218) 3.349 21.791 ( -3.723 0.000 -5.408) 6.566 21.791 ( 3.723 0.000 -5.408) 6.566 22.492 ( -2.107 0.000 2.647) 3.383 22.492 ( 2.107 0.000 2.647) 3.383 23.506 ( -11.913 0.000 -12.911) 17.567 23.506 ( 11.913 0.000 -12.911) 17.567======================= Grid point 121 (43/90) =======================q-point: ( 0.00 0.25 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.443 ( 0.000 12.572 28.389) 31.049 1.509 ( 0.000 13.913 23.810) 27.577 2.240 ( 0.000 -9.186 14.723) 17.354 2.251 ( 0.000 -20.844 15.917) 26.226 2.697 ( 0.000 7.112 37.159) 37.833 2.981 ( 0.000 11.795 6.378) 13.409 3.186 ( 0.000 4.818 6.864) 8.386 3.207 ( 0.000 -1.394 -3.403) 3.677 3.628 ( 0.000 -2.712 -2.206) 3.496 3.866 ( 0.000 -8.993 13.805) 16.476 3.945 ( 0.000 9.531 0.294) 9.536 4.056 ( 0.000 3.974 15.181) 15.693 4.444 ( 0.000 2.891 4.795) 5.599 4.569 ( 0.000 -13.873 -1.351) 13.938 4.759 ( 0.000 -7.261 1.151) 7.351 4.886 ( 0.000 -16.755 10.287) 19.661 5.030 ( 0.000 5.086 0.966) 5.177 5.122 ( 0.000 0.554 -5.314) 5.342 5.181 ( 0.000 -4.128 -1.596) 4.426 5.295 ( 0.000 -3.908 0.869) 4.004 5.506 ( 0.000 12.992 -5.914) 14.275 5.716 ( 0.000 3.300 -1.390) 3.581 5.864 ( 0.000 -0.002 -5.478) 5.478 6.030 ( 0.000 -5.738 -10.028) 11.553 6.225 ( 0.000 8.987 -11.404) 14.520 6.381 ( 0.000 13.406 -5.403) 14.454 6.497 ( 0.000 0.411 -9.197) 9.206 6.794 ( 0.000 -6.036 0.510) 6.057 7.466 ( 0.000 7.336 7.201) 10.280 7.711 ( 0.000 -5.768 0.067) 5.768 7.836 ( 0.000 0.110 3.352) 3.353 7.977 ( 0.000 0.938 3.414) 3.540 8.113 ( 0.000 7.936 5.231) 9.505 8.534 ( 0.000 -9.484 7.512) 12.098 9.427 ( 0.000 -2.861 -6.838) 7.412 9.443 ( 0.000 -2.375 -8.314) 8.647 9.817 ( 0.000 7.076 7.746) 10.492 10.005 ( 0.000 -0.041 5.481) 5.482 10.147 ( 0.000 3.437 0.834) 3.537 10.152 ( 0.000 3.013 -0.713) 3.096 10.275 ( 0.000 4.469 -0.650) 4.516 10.363 ( 0.000 -2.339 2.080) 3.130 10.606 ( 0.000 0.690 -8.258) 8.287 10.739 ( 0.000 6.152 11.078) 12.671 10.897 ( 0.000 -6.406 -1.085) 6.497 10.946 ( 0.000 -1.602 -3.088) 3.479 11.073 ( 0.000 -2.372 0.624) 2.453 11.170 ( 0.000 -5.192 8.591) 10.038 11.323 ( 0.000 -1.632 9.223) 9.367 11.337 ( 0.000 -0.446 9.437) 9.448 11.678 ( 0.000 6.091 -8.005) 10.059 11.750 ( 0.000 -0.991 -3.789) 3.916 11.870 ( 0.000 2.641 -1.943) 3.279 12.150 ( 0.000 -7.473 -4.021) 8.486 12.477 ( 0.000 3.607 -14.376) 14.821 12.713 ( 0.000 -7.375 -3.582) 8.199 13.362 ( 0.000 17.379 -9.088) 19.612 13.774 ( 0.000 -3.334 -14.846) 15.216 14.024 ( 0.000 0.775 -0.787) 1.104 14.028 ( 0.000 0.731 1.675) 1.827 14.252 ( 0.000 1.063 -19.656) 19.685 14.395 ( 0.000 -3.694 -12.708) 13.234 14.460 ( 0.000 0.957 -2.402) 2.586 14.494 ( 0.000 -0.358 -3.709) 3.726 15.241 ( 0.000 0.523 -0.110) 0.535 15.347 ( 0.000 -2.662 3.613) 4.487 15.554 ( 0.000 7.056 -1.397) 7.193 15.888 ( 0.000 -6.243 -5.485) 8.311 19.143 ( 0.000 2.897 2.329) 3.717 19.316 ( 0.000 2.038 3.106) 3.715 19.355 ( 0.000 -5.502 3.643) 6.599 19.561 ( 0.000 -10.354 6.794) 12.384 19.794 ( 0.000 6.791 -3.186) 7.501 20.091 ( 0.000 -5.908 -3.543) 6.889 20.231 ( 0.000 6.318 -5.361) 8.286 20.302 ( 0.000 2.014 -11.189) 11.369 21.825 ( 0.000 0.861 9.820) 9.858 21.924 ( 0.000 -3.187 3.285) 4.577 22.067 ( 0.000 3.089 0.691) 3.165 22.120 ( 0.000 1.123 0.313) 1.166 22.260 ( 0.000 0.912 4.681) 4.769 22.335 ( 0.000 -2.000 6.035) 6.358 22.432 ( 0.000 2.848 7.792) 8.296 22.769 ( 0.000 -11.647 2.358) 11.883======================= Grid point 122 (44/90) =======================q-point: ( 0.10 0.25 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.563 ( 12.815 9.990 25.337) 30.099 1.690 ( 14.825 11.980 20.969) 28.337 2.283 ( 6.896 -17.707 13.629) 23.384 2.389 ( 8.902 -14.550 12.678) 21.253 2.740 ( 7.101 9.493 30.126) 32.375 2.974 ( -1.215 9.326 4.578) 10.460 3.124 ( -2.583 2.225 0.403) 3.433 3.246 ( 1.299 6.961 0.725) 7.119 3.668 ( 3.843 -1.814 -1.454) 4.492 3.889 ( -1.321 -5.781 10.729) 12.258 3.953 ( 4.493 0.805 6.486) 7.931 4.112 ( 3.826 5.225 10.910) 12.687 4.373 ( -5.069 3.475 5.071) 7.968 4.525 ( -4.384 -13.949 -2.736) 14.876 4.746 ( -1.019 -7.095 3.240) 7.866 4.887 ( -1.048 -10.925 5.066) 12.087 5.032 ( -0.378 -0.501 1.887) 1.989 5.141 ( 1.716 1.196 -5.523) 5.906 5.239 ( 3.872 1.165 -1.551) 4.330 5.304 ( 2.868 -1.166 2.119) 3.752 5.455 ( -5.065 11.736 -6.537) 14.356 5.684 ( -2.294 2.265 -3.682) 4.894 5.834 ( 0.465 -1.354 2.171) 2.600 6.097 ( -2.129 -0.275 -9.965) 10.194 6.183 ( -0.706 0.277 -5.140) 5.195 6.383 ( -0.636 -1.810 -14.145) 14.275 6.548 ( 5.039 5.939 -5.660) 9.629 6.761 ( -1.973 0.251 -1.333) 2.394 7.409 ( -5.542 6.542 6.281) 10.628 7.662 ( -3.731 -3.452 2.454) 5.645 7.839 ( 0.043 -3.188 2.364) 3.969 8.011 ( 2.630 5.333 2.312) 6.380 8.138 ( 1.592 5.876 4.268) 7.434 8.522 ( -1.368 -9.441 5.940) 11.238 9.390 ( -2.680 -3.531 -5.328) 6.931 9.470 ( 1.306 -2.493 -10.699) 11.063 9.779 ( -3.353 6.624 8.111) 10.995 9.996 ( -3.255 -1.731 1.274) 3.900 10.009 ( -6.881 1.402 6.153) 9.336 10.172 ( -0.707 3.709 0.942) 3.892 10.260 ( -0.752 6.936 0.910) 7.036 10.297 ( 0.332 -1.497 2.393) 2.842 10.485 ( -12.171 -0.424 3.072) 12.560 10.746 ( 1.488 6.045 -9.399) 11.274 10.861 ( -0.350 -10.512 -2.658) 10.849 11.013 ( 3.450 1.895 2.385) 4.602 11.200 ( 8.368 -1.234 1.421) 8.577 11.327 ( 6.938 -2.030 8.004) 10.785 11.368 ( 10.659 -3.039 6.996) 13.107 11.510 ( 10.906 1.528 9.451) 14.512 11.672 ( 1.027 5.061 -7.314) 8.954 11.813 ( 6.079 -0.523 -3.914) 7.248 11.911 ( 5.546 -1.775 -2.774) 6.450 12.100 ( -4.066 -4.179 -0.212) 5.835 12.451 ( -1.895 2.986 -11.132) 11.681 12.679 ( -3.952 -5.416 -4.092) 7.854 13.263 ( -8.069 14.494 -1.868) 16.693 13.625 ( -11.794 -2.463 -10.138) 15.746 14.055 ( -4.235 0.965 -6.516) 7.831 14.092 ( 5.479 -0.353 -2.721) 6.127 14.201 ( -12.943 -1.570 -9.824) 16.324 14.213 ( 1.501 -0.686 -9.219) 9.365 14.584 ( 6.993 -0.085 -7.880) 10.536 14.602 ( 7.082 0.097 -7.688) 10.453 15.097 ( -13.477 1.430 2.438) 13.770 15.206 ( -11.839 -2.090 4.690) 12.905 15.580 ( 1.148 4.276 -3.410) 5.588 15.818 ( -6.621 -4.281 -5.212) 9.452 19.156 ( 1.276 2.014 2.088) 3.169 19.313 ( -0.141 0.633 3.660) 3.717 19.368 ( 0.365 -4.126 2.494) 4.835 19.513 ( -4.457 -6.046 7.926) 10.919 19.714 ( -6.915 3.997 -5.768) 9.852 19.906 ( -5.129 5.268 0.225) 7.356 20.124 ( -0.089 -4.233 -0.364) 4.249 20.841 ( 24.736 2.237 -17.072) 30.138 21.314 ( -31.068 0.178 17.474) 35.646 21.912 ( -4.418 -0.915 2.539) 5.177 21.952 ( -10.155 -0.064 0.213) 10.157 22.069 ( -1.173 3.281 0.403) 3.508 22.324 ( 5.033 -2.693 2.339) 6.169 22.365 ( 4.470 -0.158 7.213) 8.487 22.424 ( 3.189 0.138 2.665) 4.159 23.274 ( 28.372 -7.342 -5.061) 29.741======================= Grid point 123 (45/90) =======================q-point: ( 0.20 0.25 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.898 ( 19.675 6.761 18.770) 28.020 2.009 ( 17.014 8.641 16.641) 25.319 2.468 ( 10.350 -15.566 11.226) 21.805 2.535 ( 7.120 -11.793 7.929) 15.895 2.933 ( 1.559 5.347 0.244) 5.575 3.024 ( 13.976 7.361 10.367) 18.894 3.095 ( -0.733 -0.787 -1.960) 2.236 3.282 ( 4.443 13.442 3.948) 14.697 3.727 ( 0.282 1.091 -1.358) 1.764 3.901 ( 3.773 -4.093 9.426) 10.946 4.005 ( -0.920 0.399 3.853) 3.981 4.110 ( -2.806 -2.149 8.449) 9.158 4.367 ( -0.996 -0.644 2.718) 2.966 4.447 ( 2.635 -6.875 -0.019) 7.362 4.711 ( -2.987 -6.550 3.931) 8.202 4.838 ( -3.983 -4.414 -0.066) 5.946 5.020 ( -0.181 -1.995 0.991) 2.235 5.173 ( 1.099 3.742 -3.946) 5.548 5.211 ( -5.462 8.683 -5.639) 11.706 5.362 ( 0.379 1.288 -2.194) 2.572 5.480 ( 8.945 6.627 -0.676) 11.153 5.604 ( -6.803 -0.750 -0.159) 6.846 5.877 ( 2.392 -2.067 4.492) 5.493 5.981 ( -7.379 -0.388 -3.642) 8.238 6.138 ( -1.878 -5.075 -1.638) 5.654 6.341 ( -4.488 -11.618 -10.780) 16.472 6.646 ( 3.771 6.720 -5.075) 9.227 6.777 ( 3.752 4.169 -5.567) 7.903 7.278 ( -6.648 4.745 5.564) 9.883 7.598 ( -2.326 1.123 2.039) 3.291 7.829 ( -1.627 -4.476 3.356) 5.826 8.052 ( 1.408 6.615 1.075) 6.848 8.138 ( -2.136 3.896 2.574) 5.135 8.474 ( -3.570 -9.774 2.490) 10.699 9.341 ( -1.826 -5.288 -4.311) 7.062 9.470 ( -1.725 -0.002 -12.708) 12.824 9.721 ( -1.517 4.827 8.473) 9.869 9.891 ( -2.667 1.975 1.199) 3.529 9.952 ( -3.748 -1.082 3.911) 5.524 10.147 ( -0.003 1.968 5.207) 5.566 10.269 ( -0.208 4.464 1.383) 4.678 10.325 ( -1.535 -0.953 -4.313) 4.676 10.387 ( 6.533 -0.355 2.958) 7.180 10.729 ( -2.047 4.202 -11.038) 11.987 10.871 ( 0.685 -9.090 -0.555) 9.133 11.043 ( -0.575 0.796 -6.780) 6.851 11.334 ( 3.925 2.796 7.020) 8.515 11.430 ( 2.718 4.025 2.896) 5.655 11.487 ( 1.671 0.988 7.931) 8.165 11.665 ( 9.807 -6.476 0.418) 11.760 11.845 ( 9.096 0.827 0.243) 9.136 11.968 ( 8.701 -0.166 -4.429) 9.765 12.030 ( 2.809 -0.836 4.738) 5.571 12.105 ( 10.130 -2.393 -0.235) 10.411 12.442 ( 1.723 2.324 -3.308) 4.394 12.559 ( -6.832 -1.218 -1.531) 7.106 13.107 ( -7.742 8.022 8.037) 13.744 13.377 ( -12.340 -1.998 -4.997) 13.462 13.869 ( -16.230 -0.775 -10.091) 19.127 13.902 ( -14.295 -0.336 -11.242) 18.189 14.187 ( 2.823 -0.094 -1.891) 3.399 14.256 ( 0.961 -0.797 -2.386) 2.693 14.708 ( 4.654 -0.179 -8.447) 9.646 14.729 ( 5.884 0.486 -9.096) 10.844 14.802 ( -13.527 1.612 4.709) 14.414 14.961 ( -11.868 -2.319 3.884) 12.701 15.569 ( -2.338 1.869 -6.927) 7.546 15.654 ( -9.531 -1.219 -5.831) 11.239 19.190 ( 2.224 0.457 1.420) 2.678 19.287 ( -3.496 -1.136 4.549) 5.848 19.338 ( -0.976 1.831 1.155) 2.375 19.500 ( 3.188 -3.253 6.694) 8.097 19.623 ( -3.027 -0.802 -3.606) 4.776 19.872 ( -0.165 6.239 1.137) 6.344 20.124 ( -0.126 -4.211 1.872) 4.610 20.616 ( -25.217 0.693 16.260) 30.013 21.392 ( 16.784 1.252 -15.722) 23.032 21.767 ( -8.522 0.109 -1.351) 8.629 21.796 ( -6.733 -1.034 2.049) 7.113 22.031 ( -2.602 3.209 -0.936) 4.236 22.401 ( 1.549 -1.616 4.338) 4.882 22.458 ( 4.601 -1.995 4.464) 6.714 22.582 ( 13.582 0.874 -4.959) 14.486 23.661 ( 11.283 -4.954 -8.962) 15.237======================= Grid point 124 (46/90) =======================q-point: ( 0.30 0.25 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.274 ( 17.351 3.590 9.579) 20.142 2.348 ( 17.058 5.908 12.682) 22.061 2.660 ( 9.092 -7.197 8.027) 14.103 2.678 ( 6.395 -1.493 -0.665) 6.600 2.996 ( 7.108 -0.487 0.544) 7.145 3.069 ( -1.295 -3.000 -2.482) 4.103 3.168 ( 1.205 5.384 -4.146) 6.901 3.517 ( 13.685 3.037 7.236) 15.775 3.695 ( -2.129 -0.629 -1.045) 2.454 3.878 ( -3.783 -2.204 -2.534) 5.059 4.019 ( 2.548 -0.021 13.477) 13.716 4.150 ( 3.757 2.210 7.034) 8.275 4.246 ( -5.499 -10.196 -3.018) 11.971 4.565 ( 1.825 4.418 0.156) 4.783 4.651 ( -1.690 -3.770 0.754) 4.200 4.726 ( -6.601 -1.189 -2.917) 7.314 4.997 ( -3.143 1.262 -1.825) 3.848 5.094 ( -4.973 10.802 -6.946) 13.772 5.213 ( 2.937 -1.092 -3.771) 4.903 5.328 ( -11.402 -1.896 -1.011) 11.602 5.470 ( -0.435 -4.117 4.805) 6.343 5.635 ( 7.233 9.919 -1.109) 12.326 5.881 ( -0.460 -4.836 1.461) 5.073 5.897 ( -1.673 1.738 4.512) 5.116 6.159 ( 2.641 -7.738 0.086) 8.177 6.268 ( 0.191 -5.840 -3.486) 6.804 6.686 ( 0.112 4.810 -4.580) 6.643 6.849 ( 1.954 0.856 -4.857) 5.305 7.195 ( -0.782 3.407 6.344) 7.244 7.577 ( 0.120 4.375 0.098) 4.378 7.757 ( -5.579 -3.173 4.151) 7.643 8.049 ( -5.548 1.942 -0.912) 5.949 8.085 ( 1.283 4.322 4.102) 6.095 8.389 ( -4.775 -9.697 -0.549) 10.823 9.321 ( -0.497 -4.360 -7.045) 8.300 9.411 ( -3.629 3.317 -10.602) 11.687 9.731 ( 1.888 3.268 6.062) 7.140 9.863 ( -0.905 2.670 0.359) 2.842 9.885 ( -2.289 -1.055 -2.290) 3.405 10.175 ( 0.030 -6.908 4.146) 8.057 10.232 ( 1.113 0.619 -0.513) 1.373 10.378 ( 2.675 6.742 -5.931) 9.369 10.523 ( 6.193 0.306 1.416) 6.360 10.700 ( -0.537 4.829 -8.986) 10.215 10.870 ( -1.257 -7.412 -3.769) 8.410 11.005 ( -2.233 -2.252 -7.830) 8.448 11.275 ( -5.085 6.285 0.562) 8.104 11.506 ( 4.215 -3.074 7.301) 8.973 11.625 ( 7.991 1.660 7.421) 11.031 11.752 ( 1.724 -4.134 1.553) 4.741 11.948 ( 2.957 3.114 -2.471) 4.955 12.071 ( 3.789 -3.074 6.265) 7.940 12.200 ( 9.313 1.432 6.218) 11.289 12.346 ( 12.400 -0.200 -0.701) 12.421 12.490 ( 2.762 0.904 2.359) 3.743 12.514 ( 3.499 0.373 5.250) 6.321 12.939 ( -8.509 -0.019 9.680) 12.888 13.191 ( -7.046 1.179 2.515) 7.574 13.435 ( -23.572 2.965 -5.147) 24.309 13.653 ( -13.449 -2.942 -12.628) 18.682 14.212 ( 0.576 0.328 -1.357) 1.511 14.245 ( -1.592 -0.786 -1.742) 2.487 14.577 ( -9.186 0.080 2.781) 9.598 14.647 ( -11.109 -1.121 1.427) 11.256 14.843 ( 5.723 1.217 -9.916) 11.514 14.903 ( 5.909 -1.020 -7.061) 9.263 15.460 ( -9.823 0.974 -6.771) 11.970 15.493 ( -5.452 -0.081 -8.893) 10.431 19.234 ( -0.947 1.018 3.215) 3.503 19.244 ( 2.945 -0.146 0.434) 2.981 19.328 ( -0.615 1.333 2.095) 2.558 19.538 ( -2.022 -4.863 1.409) 5.452 19.615 ( 3.996 -0.658 1.666) 4.379 19.885 ( 1.478 6.387 2.082) 6.878 20.112 ( -1.230 -3.167 4.345) 5.515 20.213 ( -16.052 -0.280 12.979) 20.644 21.621 ( 6.343 1.318 -11.021) 12.784 21.626 ( -5.396 0.398 -2.581) 5.995 21.670 ( -4.983 -0.708 -0.571) 5.065 21.971 ( -3.414 3.061 -2.625) 5.284 22.422 ( 0.888 -0.841 3.427) 3.639 22.509 ( 0.885 -2.347 3.977) 4.702 22.907 ( 17.770 0.590 -11.468) 21.157 23.756 ( -0.452 -2.926 -9.853) 10.288======================= Grid point 125 (47/90) =======================q-point: ( 0.40 0.25 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.547 ( 9.966 0.475 0.492) 9.989 2.641 ( 10.840 2.933 8.063) 13.824 2.706 ( 2.038 4.187 -0.413) 4.675 2.897 ( 9.537 2.569 -3.981) 10.649 3.043 ( -0.321 -5.845 0.853) 5.916 3.142 ( 1.088 1.653 1.766) 2.652 3.227 ( 10.209 -4.972 -2.878) 11.715 3.580 ( -4.204 -2.706 4.043) 6.429 3.654 ( -1.241 -5.875 -1.702) 6.241 3.927 ( -7.151 -4.052 3.348) 8.875 4.022 ( 8.327 3.077 -1.661) 9.032 4.126 ( 2.959 -1.883 6.991) 7.822 4.309 ( 2.996 4.718 -1.377) 5.756 4.526 ( -3.195 0.964 -6.726) 7.509 4.575 ( -5.179 4.648 -0.165) 6.960 4.632 ( -4.297 0.373 -0.789) 4.385 4.928 ( -2.820 3.166 -2.926) 5.151 5.047 ( -3.169 2.858 -2.816) 5.113 5.058 ( -8.199 1.518 1.221) 8.427 5.221 ( -3.193 -4.230 -4.059) 6.676 5.476 ( 0.960 -3.854 3.251) 5.132 5.728 ( -7.007 -1.985 1.715) 7.482 5.863 ( 8.486 4.070 4.666) 10.505 5.967 ( 5.716 -1.791 2.637) 6.545 6.260 ( 8.496 -0.484 0.044) 8.510 6.348 ( 5.418 -3.101 2.505) 6.726 6.649 ( -3.374 3.515 -2.613) 5.529 6.809 ( -6.399 0.558 -6.454) 9.106 7.260 ( 6.788 -0.449 6.297) 9.270 7.574 ( -3.997 -3.517 0.798) 5.383 7.660 ( -0.149 5.929 3.191) 6.735 7.907 ( -8.115 4.963 1.120) 9.578 8.136 ( 3.520 -1.318 2.442) 4.482 8.299 ( -4.330 -7.502 -1.158) 8.739 9.312 ( -0.451 -0.280 -11.275) 11.287 9.348 ( -2.531 2.894 -8.673) 9.487 9.765 ( 1.189 3.144 5.346) 6.315 9.825 ( -2.230 -0.805 2.628) 3.540 9.906 ( 3.929 -0.958 -10.024) 10.809 10.120 ( -4.333 -5.599 -6.519) 9.625 10.314 ( 4.576 0.961 2.970) 5.539 10.389 ( -0.404 2.594 -8.370) 8.772 10.604 ( 1.535 0.215 -3.082) 3.450 10.680 ( -2.378 3.855 -4.309) 6.252 10.831 ( -0.447 -1.978 -6.923) 7.214 10.969 ( -3.045 -2.772 -0.010) 4.118 11.253 ( 4.268 2.731 -2.035) 5.460 11.517 ( -3.458 -5.004 2.033) 6.414 11.748 ( 5.209 -2.543 4.689) 7.456 11.831 ( 5.355 2.523 4.358) 7.351 12.021 ( 4.911 3.247 4.532) 7.430 12.133 ( 1.658 -1.592 10.514) 10.763 12.298 ( 0.912 3.946 10.525) 11.277 12.459 ( 2.981 -3.628 7.923) 9.210 12.580 ( 4.307 1.912 6.642) 8.144 12.721 ( 13.657 -1.041 0.507) 13.706 12.821 ( -4.370 -1.755 8.931) 10.096 12.975 ( -14.337 -0.141 9.902) 17.425 13.109 ( -7.602 6.703 -6.742) 12.173 13.391 ( -12.622 -4.380 -12.051) 17.992 14.212 ( -0.392 -0.509 -2.013) 2.113 14.243 ( 2.266 0.279 -2.182) 3.158 14.398 ( -9.291 -1.111 -0.833) 9.394 14.446 ( -8.076 0.630 0.087) 8.101 14.964 ( 6.586 1.592 -8.708) 11.033 15.046 ( 7.914 -1.570 -7.678) 11.137 15.274 ( -8.899 2.134 -7.225) 11.660 15.366 ( -7.315 -1.350 -8.721) 11.462 19.236 ( 1.067 1.320 2.726) 3.211 19.298 ( -0.207 0.108 1.038) 1.064 19.323 ( 2.562 0.425 1.055) 2.804 19.475 ( -3.751 -2.008 -0.648) 4.303 19.711 ( 5.100 -3.233 3.764) 7.116 19.932 ( 3.265 5.264 4.201) 7.485 19.966 ( -9.603 -1.385 8.394) 12.830 20.073 ( -2.855 -0.996 5.937) 6.663 21.543 ( -2.584 0.203 -3.489) 4.346 21.567 ( -3.667 -0.607 -1.890) 4.170 21.741 ( 4.574 2.023 -8.304) 9.694 21.900 ( -3.823 2.839 -4.395) 6.480 22.442 ( 1.255 -1.001 2.978) 3.383 22.503 ( -1.204 -2.069 3.554) 4.285 23.235 ( 15.235 0.061 -13.370) 20.270 23.678 ( -6.968 -1.622 -11.070) 13.180======================= Grid point 126 (48/90) =======================q-point: (-0.50 0.25 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.664 ( -2.765 0.083 -0.830) 2.888 2.664 ( 2.765 0.083 -0.830) 2.888 2.875 ( -8.440 6.198 -2.002) 10.661 2.875 ( 8.440 6.198 -2.002) 10.661 3.116 ( -3.573 -5.732 1.160) 6.853 3.116 ( 3.573 -5.732 1.160) 6.853 3.443 ( -9.661 -4.639 -0.220) 10.719 3.443 ( 9.661 -4.639 -0.220) 10.719 3.722 ( -8.631 -1.747 4.505) 9.891 3.722 ( 8.631 -1.747 4.505) 9.891 4.172 ( -2.251 -0.976 -4.400) 5.037 4.172 ( 2.251 -0.976 -4.400) 5.037 4.382 ( -8.741 4.190 -2.711) 10.065 4.382 ( 8.741 4.190 -2.711) 10.065 4.561 ( -2.564 3.688 1.825) 4.848 4.561 ( 2.564 3.688 1.825) 4.848 4.918 ( -2.813 4.006 -1.181) 5.036 4.918 ( 2.813 4.006 -1.181) 5.036 5.119 ( -5.717 -3.448 -2.341) 7.075 5.119 ( 5.717 -3.448 -2.341) 7.075 5.556 ( -7.406 -2.142 3.060) 8.295 5.556 ( 7.406 -2.142 3.060) 8.295 6.008 ( -2.961 -2.252 3.402) 5.041 6.008 ( 2.961 -2.252 3.402) 5.041 6.407 ( -2.558 2.542 4.381) 5.674 6.407 ( 2.558 2.542 4.381) 5.674 6.645 ( -6.620 1.396 -6.989) 9.727 6.645 ( 6.620 1.396 -6.989) 9.727 7.424 ( -9.011 -5.261 4.152) 11.230 7.424 ( 9.011 -5.261 4.152) 11.230 7.752 ( -7.145 7.756 1.573) 10.662 7.752 ( 7.145 7.756 1.573) 10.662 8.215 ( -4.289 -4.448 0.603) 6.209 8.215 ( 4.289 -4.448 0.603) 6.209 9.314 ( -0.921 2.083 -10.572) 10.815 9.314 ( 0.921 2.083 -10.572) 10.815 9.788 ( -1.484 0.375 3.724) 4.026 9.788 ( 1.484 0.375 3.724) 4.026 10.012 ( -6.199 -2.607 -10.416) 12.399 10.012 ( 6.199 -2.607 -10.416) 12.399 10.376 ( -1.825 0.998 -5.273) 5.668 10.376 ( 1.825 0.998 -5.273) 5.668 10.624 ( -2.176 -0.201 -3.151) 3.834 10.624 ( 2.176 -0.201 -3.151) 3.834 10.884 ( -4.579 0.855 -0.953) 4.755 10.884 ( 4.579 0.855 -0.953) 4.755 11.395 ( -8.071 -2.287 -1.710) 8.561 11.395 ( 8.071 -2.287 -1.710) 8.561 11.851 ( -3.879 -0.409 4.647) 6.067 11.851 ( 3.879 -0.409 4.647) 6.067 12.106 ( -3.174 1.407 9.962) 10.549 12.106 ( 3.174 1.407 9.962) 10.549 12.395 ( -8.765 1.207 9.941) 13.308 12.395 ( 8.765 1.207 9.941) 13.308 12.698 ( -8.079 -0.619 9.417) 12.423 12.698 ( 8.079 -0.619 9.417) 12.423 12.847 ( -3.018 1.493 8.057) 8.733 12.847 ( 3.018 1.493 8.057) 8.733 13.153 ( -11.329 -1.720 -11.582) 16.293 13.153 ( 11.329 -1.720 -11.582) 16.293 14.249 ( -4.571 -0.499 -2.290) 5.137 14.249 ( 4.571 -0.499 -2.290) 5.137 14.320 ( -4.924 0.417 -1.921) 5.302 14.320 ( 4.924 0.417 -1.921) 5.302 15.102 ( -7.169 1.580 -7.758) 10.680 15.102 ( 7.169 1.580 -7.758) 10.680 15.215 ( -7.604 -1.282 -7.864) 11.013 15.215 ( 7.604 -1.282 -7.864) 11.013 19.267 ( -1.878 0.866 2.401) 3.169 19.267 ( 1.878 0.866 2.401) 3.169 19.397 ( -4.055 -0.621 -0.475) 4.129 19.397 ( 4.055 -0.621 -0.475) 4.129 19.817 ( -6.044 -2.714 5.107) 8.365 19.817 ( 6.044 -2.714 5.107) 8.365 20.005 ( -3.892 2.195 5.929) 7.425 20.005 ( 3.892 2.195 5.929) 7.425 21.524 ( -0.635 -0.159 -3.278) 3.343 21.524 ( 0.635 -0.159 -3.278) 3.343 21.823 ( -3.983 2.474 -6.191) 7.767 21.823 ( 3.983 2.474 -6.191) 7.767 22.472 ( -1.717 -1.537 3.135) 3.891 22.472 ( 1.717 -1.537 3.135) 3.891 23.497 ( -11.351 -0.692 -12.604) 16.977 23.497 ( 11.351 -0.692 -12.604) 16.977======================= Grid point 132 (49/90) =======================q-point: ( 0.00 -0.50 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.794 ( 0.000 -15.403 20.033) 25.269 1.794 ( 0.000 15.403 20.033) 25.269 1.891 ( 0.000 -14.425 19.113) 23.946 1.891 ( 0.000 14.425 19.113) 23.946 3.022 ( 0.000 -13.260 15.449) 20.359 3.022 ( 0.000 13.260 15.449) 20.359 3.191 ( 0.000 -2.015 5.144) 5.525 3.191 ( 0.000 2.015 5.144) 5.525 3.633 ( 0.000 -5.470 8.052) 9.734 3.633 ( 0.000 5.470 8.052) 9.734 4.169 ( 0.000 -6.823 2.760) 7.360 4.169 ( 0.000 6.823 2.760) 7.360 4.386 ( 0.000 -6.122 11.763) 13.261 4.386 ( 0.000 6.122 11.763) 13.261 4.660 ( 0.000 -0.747 5.590) 5.640 4.660 ( 0.000 0.747 5.590) 5.640 5.121 ( 0.000 -2.514 -0.598) 2.584 5.121 ( 0.000 2.514 -0.598) 2.584 5.188 ( 0.000 -4.888 -3.357) 5.929 5.188 ( 0.000 4.888 -3.357) 5.929 5.751 ( 0.000 -8.143 -4.368) 9.241 5.751 ( 0.000 8.143 -4.368) 9.241 5.873 ( 0.000 -6.663 -10.318) 12.282 5.873 ( 0.000 6.663 -10.318) 12.282 6.416 ( 0.000 -6.683 -13.085) 14.693 6.416 ( 0.000 6.683 -13.085) 14.693 6.624 ( 0.000 -9.182 -2.736) 9.581 6.624 ( 0.000 9.182 -2.736) 9.581 7.606 ( 0.000 -4.795 2.398) 5.362 7.606 ( 0.000 4.795 2.398) 5.362 7.913 ( 0.000 -4.831 7.542) 8.957 7.913 ( 0.000 4.831 7.542) 8.957 8.309 ( 0.000 -10.434 5.589) 11.837 8.309 ( 0.000 10.434 5.589) 11.837 9.403 ( 0.000 -0.477 -6.571) 6.589 9.403 ( 0.000 0.477 -6.571) 6.589 9.946 ( 0.000 -4.708 7.600) 8.940 9.946 ( 0.000 4.708 7.600) 8.940 10.217 ( 0.000 -0.579 -2.078) 2.157 10.217 ( 0.000 0.579 -2.078) 2.157 10.344 ( 0.000 -0.041 -1.495) 1.495 10.344 ( 0.000 0.041 -1.495) 1.495 10.625 ( 0.000 -4.399 -3.559) 5.658 10.625 ( 0.000 4.399 -3.559) 5.658 10.988 ( 0.000 -0.485 2.153) 2.207 10.988 ( 0.000 0.485 2.153) 2.207 11.019 ( 0.000 -6.230 7.798) 9.981 11.019 ( 0.000 6.230 7.798) 9.981 11.321 ( 0.000 -0.413 9.452) 9.461 11.321 ( 0.000 0.413 9.452) 9.461 11.737 ( 0.000 -0.429 -6.321) 6.336 11.737 ( 0.000 0.429 -6.321) 6.336 11.986 ( 0.000 -6.932 -4.216) 8.113 11.986 ( 0.000 6.932 -4.216) 8.113 12.579 ( 0.000 -5.473 -8.024) 9.713 12.579 ( 0.000 5.473 -8.024) 9.713 13.648 ( 0.000 -9.291 -14.672) 17.367 13.648 ( 0.000 9.291 -14.672) 17.367 14.037 ( 0.000 -0.013 0.834) 0.834 14.037 ( 0.000 0.013 0.834) 0.834 14.305 ( 0.000 -3.947 -16.757) 17.215 14.305 ( 0.000 3.947 -16.757) 17.215 14.481 ( 0.000 -0.809 -3.420) 3.514 14.481 ( 0.000 0.809 -3.420) 3.514 15.281 ( 0.000 -2.891 2.414) 3.767 15.281 ( 0.000 2.891 2.414) 3.767 15.725 ( 0.000 -8.392 -2.772) 8.837 15.725 ( 0.000 8.392 -2.772) 8.837 19.233 ( 0.000 -5.315 3.175) 6.191 19.233 ( 0.000 5.315 3.175) 6.191 19.391 ( 0.000 -5.448 5.356) 7.640 19.391 ( 0.000 5.448 5.356) 7.640 19.949 ( 0.000 -7.084 -2.994) 7.690 19.949 ( 0.000 7.084 -2.994) 7.690 20.313 ( 0.000 -0.151 -9.421) 9.422 20.313 ( 0.000 0.151 -9.421) 9.422 21.860 ( 0.000 -0.905 6.592) 6.654 21.860 ( 0.000 0.905 6.592) 6.654 22.120 ( 0.000 -1.151 0.289) 1.186 22.120 ( 0.000 1.151 0.289) 1.186 22.290 ( 0.000 -1.334 5.676) 5.831 22.290 ( 0.000 1.334 5.676) 5.831 22.545 ( 0.000 -4.455 7.722) 8.915 22.545 ( 0.000 4.455 7.722) 8.915======================= Grid point 134 (50/90) =======================q-point: ( 0.10 -0.50 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.857 ( 9.798 0.000 20.410) 22.640 1.873 ( 5.645 -0.000 18.146) 19.004 1.980 ( 13.779 -0.000 14.042) 19.673 2.086 ( 10.683 -0.000 20.533) 23.146 2.953 ( 1.496 0.000 13.721) 13.802 3.089 ( -3.114 0.000 3.542) 4.717 3.103 ( 0.038 -0.000 0.518) 0.520 3.348 ( 9.190 0.000 6.826) 11.448 3.651 ( 6.055 -0.000 17.629) 18.640 3.675 ( -0.061 0.000 4.191) 4.191 4.104 ( 0.762 0.000 5.092) 5.149 4.227 ( -0.380 0.000 -0.392) 0.546 4.249 ( -8.150 -0.000 8.918) 12.082 4.490 ( 1.852 0.000 3.994) 4.402 4.609 ( -1.895 0.000 5.463) 5.782 4.707 ( 3.179 0.000 7.708) 8.338 5.026 ( -3.041 0.000 0.362) 3.062 5.201 ( 2.712 0.000 -3.085) 4.108 5.203 ( 0.861 -0.000 -4.599) 4.679 5.298 ( 10.894 0.000 5.781) 12.332 5.666 ( -9.332 -0.000 -12.494) 15.594 5.708 ( -3.797 0.000 -4.147) 5.622 5.813 ( 2.610 0.000 -2.260) 3.453 6.048 ( 7.418 0.000 -9.524) 12.072 6.210 ( -10.855 0.000 -8.878) 14.023 6.312 ( -13.127 0.000 -11.110) 17.197 6.663 ( 5.362 0.000 -8.051) 9.673 6.739 ( 4.585 0.000 0.152) 4.588 7.509 ( -6.714 0.000 -1.876) 6.971 7.624 ( -0.586 0.000 6.124) 6.152 7.800 ( -3.270 0.000 9.318) 9.875 8.066 ( 6.583 0.000 4.381) 7.908 8.271 ( -1.894 0.000 5.486) 5.803 8.337 ( 0.253 -0.000 3.339) 3.349 9.344 ( -4.223 0.000 -4.392) 6.093 9.440 ( 1.978 0.000 -10.151) 10.342 9.894 ( -4.662 -0.000 7.982) 9.244 9.937 ( -0.904 0.000 4.570) 4.658 10.043 ( -11.600 0.000 3.939) 12.250 10.226 ( 0.271 0.000 -2.674) 2.688 10.249 ( 3.443 0.000 -0.852) 3.547 10.437 ( -8.002 -0.000 3.945) 8.921 10.457 ( -4.509 0.000 -2.359) 5.089 10.644 ( -3.572 0.000 0.747) 3.649 10.859 ( -0.679 0.000 -7.139) 7.171 11.072 ( 1.706 -0.000 -5.644) 5.896 11.153 ( 17.366 0.000 6.920) 18.694 11.282 ( 9.978 0.000 9.467) 13.754 11.349 ( 5.118 0.000 8.507) 9.928 11.516 ( 14.840 0.000 11.387) 18.706 11.745 ( -2.138 -0.000 -10.931) 11.138 11.816 ( 6.710 0.000 -5.010) 8.374 11.880 ( 0.479 0.000 -2.592) 2.636 12.041 ( 0.283 0.000 -0.502) 0.576 12.506 ( -3.442 0.000 -5.586) 6.562 12.604 ( -1.113 0.000 -7.444) 7.527 13.506 ( -11.601 0.000 -10.528) 15.666 13.527 ( -10.521 -0.000 -7.160) 12.726 14.075 ( -7.487 0.000 -5.604) 9.352 14.083 ( 5.860 -0.000 -1.541) 6.059 14.174 ( -10.710 0.000 -13.258) 17.044 14.205 ( 0.969 0.000 -7.535) 7.597 14.583 ( 7.191 0.000 -8.506) 11.138 14.603 ( 7.361 0.000 -7.632) 10.604 15.146 ( -10.542 -0.000 3.867) 11.229 15.149 ( -14.312 0.000 4.347) 14.958 15.674 ( -2.203 0.000 -4.293) 4.826 15.724 ( -3.113 0.000 -3.904) 4.993 19.197 ( -1.058 0.000 2.929) 3.115 19.275 ( 1.329 0.000 3.259) 3.519 19.389 ( -0.197 0.000 4.601) 4.606 19.397 ( 0.858 -0.000 5.638) 5.703 19.773 ( -11.555 0.000 -7.043) 13.532 19.993 ( 1.448 0.000 0.878) 1.693 20.038 ( -4.371 -0.000 -0.286) 4.380 20.870 ( 25.078 0.000 -18.000) 30.869 21.316 ( -31.661 0.000 17.460) 36.156 21.901 ( -4.348 0.000 2.725) 5.131 21.952 ( -10.417 0.000 0.562) 10.432 22.119 ( -1.210 0.000 -0.474) 1.300 22.282 ( 4.422 0.000 3.163) 5.437 22.362 ( 4.309 0.000 7.604) 8.740 22.424 ( 3.508 0.000 1.903) 3.991 23.180 ( 29.699 0.000 0.617) 29.706======================= Grid point 136 (51/90) =======================q-point: ( 0.20 -0.50 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.068 ( 13.193 0.000 14.481) 19.590 2.143 ( 17.796 0.000 17.964) 25.287 2.270 ( 9.049 0.000 16.761) 19.048 2.301 ( 17.931 -0.000 9.429) 20.259 3.009 ( 0.629 -0.000 -1.438) 1.569 3.067 ( -2.741 0.000 -4.657) 5.404 3.128 ( 7.869 0.000 4.156) 8.899 3.523 ( 7.574 0.000 1.176) 7.665 3.636 ( -2.648 0.000 5.640) 6.230 3.822 ( 9.619 0.000 14.015) 16.999 4.061 ( -8.357 0.000 7.712) 11.372 4.146 ( -6.954 -0.000 -0.921) 7.015 4.195 ( 4.821 0.000 3.255) 5.817 4.505 ( 1.459 0.000 2.847) 3.199 4.603 ( 1.444 -0.000 5.188) 5.385 4.748 ( -0.120 0.000 1.307) 1.313 5.005 ( 0.654 0.000 0.591) 0.882 5.220 ( 1.077 0.000 -2.501) 2.723 5.261 ( 1.776 -0.000 0.317) 1.804 5.459 ( -8.327 0.000 -7.520) 11.220 5.563 ( 12.167 -0.000 1.842) 12.306 5.594 ( -7.996 0.000 -3.245) 8.629 5.843 ( 0.004 0.000 -3.661) 3.661 6.037 ( -11.598 0.000 -4.710) 12.518 6.057 ( -4.319 -0.000 0.013) 4.319 6.143 ( 1.211 0.000 -11.286) 11.351 6.736 ( 2.097 0.000 -8.214) 8.478 6.806 ( 2.639 0.000 1.447) 3.010 7.366 ( -6.965 0.000 -1.889) 7.216 7.610 ( -0.307 0.000 4.283) 4.294 7.764 ( -1.201 0.000 11.292) 11.356 8.136 ( -0.011 0.000 1.336) 1.336 8.227 ( -2.706 0.000 4.013) 4.840 8.305 ( -3.430 -0.000 -0.044) 3.430 9.267 ( -2.542 0.000 -3.088) 4.000 9.475 ( 1.190 0.000 -15.489) 15.535 9.794 ( -4.323 0.000 8.725) 9.738 9.910 ( -1.873 0.000 -3.055) 3.583 9.941 ( -0.318 0.000 9.806) 9.812 10.184 ( -10.040 0.000 2.179) 10.274 10.222 ( -0.385 -0.000 -1.528) 1.576 10.383 ( 6.694 0.000 3.164) 7.404 10.445 ( 3.426 -0.000 -2.527) 4.257 10.648 ( 0.161 0.000 -1.628) 1.636 10.846 ( 0.098 0.000 -5.910) 5.911 11.059 ( -3.116 -0.000 -11.276) 11.699 11.369 ( 5.703 0.000 8.494) 10.231 11.477 ( 9.425 0.000 9.075) 13.083 11.533 ( -8.022 0.000 0.459) 8.035 11.546 ( 10.369 -0.000 2.823) 10.746 11.851 ( 10.756 0.000 2.755) 11.103 11.961 ( 5.778 0.000 -6.512) 8.706 12.046 ( 13.054 0.000 -4.305) 13.746 12.054 ( 4.064 -0.000 6.475) 7.645 12.478 ( 1.127 0.000 1.328) 1.742 12.537 ( -4.540 0.000 -4.512) 6.401 13.254 ( -16.630 0.000 0.516) 16.638 13.308 ( -7.281 -0.000 -1.420) 7.418 13.861 ( -11.983 0.000 -11.248) 16.435 13.895 ( -17.982 0.000 -10.273) 20.709 14.185 ( 3.324 0.000 -2.752) 4.316 14.246 ( 0.731 0.000 -0.997) 1.236 14.707 ( 4.351 0.000 -8.431) 9.487 14.734 ( 6.055 0.000 -9.308) 11.104 14.831 ( -15.096 0.000 6.087) 16.277 14.922 ( -10.518 0.000 3.153) 10.981 15.612 ( -4.658 0.000 -7.309) 8.666 15.620 ( -6.841 -0.000 -5.830) 8.988 19.197 ( 1.174 0.000 1.942) 2.269 19.271 ( -1.288 0.000 3.716) 3.933 19.380 ( -0.796 0.000 3.647) 3.732 19.433 ( 2.352 -0.000 4.251) 4.858 19.624 ( -3.548 0.000 -4.008) 5.353 20.000 ( -0.699 0.000 -0.256) 0.744 20.017 ( 1.071 -0.000 3.890) 4.035 20.625 ( -26.004 0.000 16.376) 30.731 21.410 ( 17.271 0.000 -16.616) 23.966 21.769 ( -8.267 0.000 -1.335) 8.374 21.782 ( -6.874 -0.000 2.182) 7.212 22.078 ( -2.768 0.000 -1.809) 3.307 22.368 ( 3.093 0.000 2.397) 3.913 22.441 ( 3.169 0.000 7.402) 8.052 22.590 ( 13.774 0.000 -5.910) 14.988 23.596 ( 12.779 0.000 -4.747) 13.633======================= Grid point 138 (52/90) =======================q-point: ( 0.30 -0.50 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.357 ( 15.339 0.000 10.513) 18.596 2.430 ( 10.621 0.000 10.328) 14.814 2.543 ( 18.277 0.000 10.789) 21.224 2.646 ( 15.859 -0.000 3.999) 16.355 3.006 ( -0.743 -0.000 -3.868) 3.939 3.010 ( -2.209 0.000 -3.209) 3.896 3.246 ( 2.891 0.000 -5.817) 6.495 3.579 ( -4.015 0.000 -4.144) 5.770 3.632 ( 2.409 -0.000 7.845) 8.207 3.879 ( -0.932 0.000 5.727) 5.802 4.025 ( -3.554 -0.000 -0.000) 3.554 4.091 ( 8.445 0.000 7.553) 11.330 4.234 ( 0.644 0.000 3.954) 4.006 4.544 ( 1.640 0.000 2.416) 2.920 4.645 ( 1.278 -0.000 0.183) 1.291 4.706 ( -3.556 0.000 -0.439) 3.583 5.023 ( -0.039 0.000 -1.401) 1.401 5.216 ( -6.054 0.000 -0.635) 6.087 5.251 ( 0.679 0.000 -2.893) 2.972 5.271 ( -9.454 0.000 -8.426) 12.664 5.401 ( -9.199 -0.000 2.040) 9.422 5.786 ( 7.952 0.000 0.496) 7.968 5.867 ( -1.359 -0.000 -3.035) 3.326 5.906 ( -0.970 0.000 -2.240) 2.441 6.034 ( 6.130 0.000 10.654) 12.292 6.168 ( 2.795 0.000 -8.088) 8.557 6.746 ( -1.165 0.000 -5.256) 5.384 6.843 ( 0.704 0.000 -0.922) 1.160 7.269 ( -2.482 0.000 1.234) 2.772 7.600 ( -1.972 0.000 1.039) 2.229 7.748 ( 0.466 0.000 12.288) 12.297 8.058 ( -7.017 0.000 -2.433) 7.427 8.187 ( -1.189 0.000 4.643) 4.793 8.222 ( -4.401 -0.000 -1.760) 4.739 9.255 ( 0.926 0.000 -5.497) 5.575 9.467 ( -2.144 0.000 -16.667) 16.805 9.760 ( 1.029 0.000 5.112) 5.215 9.865 ( -2.743 0.000 -3.536) 4.475 9.965 ( 1.885 0.000 6.421) 6.692 10.029 ( -6.021 -0.000 0.926) 6.091 10.238 ( 2.610 0.000 0.903) 2.762 10.491 ( 1.750 0.000 -0.121) 1.754 10.554 ( 5.600 -0.000 -5.399) 7.778 10.663 ( 3.294 0.000 -5.160) 6.122 10.841 ( -1.391 0.000 -2.195) 2.599 10.969 ( -4.643 -0.000 -11.787) 12.668 11.363 ( -6.883 -0.000 -1.322) 7.008 11.453 ( 2.581 0.000 7.974) 8.382 11.651 ( 2.139 0.000 2.768) 3.499 11.692 ( 10.471 -0.000 6.913) 12.547 12.009 ( 6.249 -0.000 7.085) 9.447 12.013 ( 1.328 0.000 -3.380) 3.631 12.215 ( 9.511 0.000 6.794) 11.688 12.338 ( 14.785 0.000 -1.400) 14.851 12.507 ( 2.807 0.000 1.945) 3.415 12.516 ( 1.105 0.000 6.162) 6.260 12.942 ( -12.664 -0.000 6.192) 14.096 13.202 ( -5.766 0.000 6.816) 8.928 13.496 ( -20.046 0.000 -8.810) 21.896 13.595 ( -15.454 -0.000 -11.042) 18.994 14.219 ( 0.869 -0.000 -2.151) 2.320 14.232 ( -1.646 0.000 -0.724) 1.798 14.578 ( -10.778 -0.000 2.784) 11.132 14.633 ( -9.718 0.000 1.756) 9.875 14.865 ( 6.866 -0.000 -9.351) 11.601 14.883 ( 4.951 0.000 -7.594) 9.066 15.475 ( -7.675 0.000 -7.617) 10.814 15.489 ( -7.608 0.000 -8.536) 11.435 19.240 ( 3.007 0.000 0.652) 3.077 19.250 ( -0.490 0.000 3.039) 3.079 19.358 ( -1.445 0.000 2.780) 3.133 19.461 ( 0.056 -0.000 2.050) 2.051 19.614 ( 1.963 0.000 0.007) 1.963 19.999 ( 0.461 0.000 0.505) 0.684 20.034 ( 0.569 -0.000 6.222) 6.248 20.209 ( -16.686 0.000 13.313) 21.346 21.629 ( -4.299 0.000 -5.064) 6.643 21.650 ( 6.639 -0.000 -10.660) 12.558 21.652 ( -5.961 0.000 0.878) 6.025 22.015 ( -3.581 0.000 -3.596) 5.075 22.407 ( 1.245 0.000 1.957) 2.319 22.479 ( 0.709 -0.000 6.501) 6.540 22.914 ( 17.561 0.000 -12.456) 21.530 23.717 ( 0.631 0.000 -7.448) 7.475======================= Grid point 140 (53/90) =======================q-point: ( 0.40 -0.50 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.614 ( 7.105 -0.000 1.195) 7.205 2.623 ( 10.105 0.000 6.313) 11.915 2.816 ( 1.790 -0.000 -2.262) 2.885 2.850 ( 11.723 0.000 6.175) 13.250 2.987 ( -0.287 0.000 -3.785) 3.796 3.093 ( 11.294 0.000 -1.374) 11.377 3.308 ( 4.125 0.000 -7.340) 8.419 3.396 ( -12.511 -0.000 -2.594) 12.777 3.659 ( 0.301 0.000 7.139) 7.145 3.876 ( -2.757 0.000 2.421) 3.669 4.052 ( 5.498 0.000 -0.082) 5.499 4.123 ( -0.128 -0.000 5.432) 5.434 4.369 ( 8.503 0.000 -1.578) 8.648 4.526 ( -3.985 0.000 -3.153) 5.082 4.624 ( -2.843 0.000 0.697) 2.927 4.640 ( -2.558 0.000 3.210) 4.105 4.979 ( -3.049 -0.000 -3.721) 4.811 5.080 ( -5.444 0.000 0.001) 5.444 5.115 ( -6.684 0.000 -5.351) 8.562 5.138 ( -6.835 -0.000 -1.887) 7.091 5.400 ( 4.567 -0.000 4.859) 6.668 5.711 ( -10.358 0.000 2.800) 10.730 5.922 ( 5.249 -0.000 -0.342) 5.260 5.953 ( 3.755 0.000 0.444) 3.782 6.262 ( 12.552 0.000 8.661) 15.250 6.295 ( 9.960 0.000 -6.591) 11.943 6.690 ( -4.238 0.000 -1.866) 4.631 6.810 ( -4.898 0.000 -5.076) 7.054 7.267 ( 2.293 0.000 3.292) 4.012 7.507 ( -6.839 0.000 2.968) 7.455 7.799 ( 3.773 -0.000 6.454) 7.476 7.924 ( -5.289 0.000 -2.897) 6.030 8.152 ( -2.286 0.000 -0.097) 2.288 8.168 ( -1.041 -0.000 4.771) 4.883 9.288 ( 2.205 0.000 -9.474) 9.727 9.406 ( -3.557 -0.000 -13.550) 14.009 9.807 ( 2.474 -0.000 2.487) 3.508 9.819 ( -1.552 0.000 -0.673) 1.691 9.939 ( -2.586 0.000 -4.951) 5.586 9.984 ( -0.258 -0.000 -2.465) 2.479 10.325 ( 5.446 0.000 4.337) 6.962 10.459 ( -3.190 0.000 -6.069) 6.856 10.586 ( -1.642 -0.000 -12.513) 12.620 10.714 ( -2.972 0.000 -3.530) 4.614 10.823 ( 2.921 0.000 -0.005) 2.921 10.934 ( 0.141 0.000 -4.344) 4.347 11.289 ( 0.309 0.000 -1.780) 1.807 11.451 ( -2.781 0.000 3.677) 4.610 11.712 ( 5.191 0.000 3.609) 6.322 11.865 ( 5.694 0.000 4.186) 7.067 12.062 ( 3.876 0.000 5.028) 6.348 12.115 ( 3.830 0.000 11.157) 11.796 12.367 ( -5.514 -0.000 9.881) 11.315 12.392 ( 8.027 0.000 7.507) 10.991 12.605 ( 4.820 0.000 5.321) 7.180 12.703 ( 14.528 0.000 -0.422) 14.534 12.803 ( -4.033 0.000 11.844) 12.512 12.973 ( -14.107 0.000 9.720) 17.132 13.249 ( -6.816 0.000 -8.177) 10.645 13.277 ( -15.332 -0.000 -11.033) 18.889 14.206 ( -0.336 0.000 -1.862) 1.892 14.246 ( 2.275 0.000 -2.286) 3.225 14.385 ( -8.791 0.000 -0.987) 8.846 14.453 ( -8.007 0.000 0.018) 8.007 15.003 ( 6.879 -0.000 -7.823) 10.417 15.007 ( 7.479 0.000 -8.464) 11.295 15.323 ( -7.765 -0.000 -8.030) 11.170 15.327 ( -8.543 0.000 -8.163) 11.816 19.255 ( 0.860 -0.000 2.298) 2.454 19.298 ( 1.444 0.000 -0.149) 1.452 19.335 ( 0.451 0.000 2.309) 2.352 19.439 ( -1.994 -0.000 0.685) 2.109 19.679 ( 4.365 0.000 3.097) 5.352 19.948 ( -10.359 0.000 8.992) 13.717 20.013 ( 0.917 0.000 2.701) 2.853 20.039 ( -0.165 -0.000 6.913) 6.915 21.547 ( -2.776 0.000 -4.197) 5.031 21.559 ( -3.401 -0.000 -1.277) 3.633 21.768 ( 4.936 0.000 -9.053) 10.312 21.940 ( -4.059 0.000 -5.426) 6.776 22.427 ( 1.021 0.000 2.507) 2.707 22.474 ( -0.947 -0.000 5.233) 5.318 23.236 ( 14.780 0.000 -13.818) 20.234 23.656 ( -6.236 0.000 -9.878) 11.681======================= Grid point 142 (54/90) =======================q-point: (-0.50 -0.50 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 81Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.690 ( -1.326 0.000 -0.111) 1.330 2.690 ( 1.326 -0.000 -0.111) 1.330 2.892 ( -4.758 -0.000 -0.147) 4.760 2.892 ( 4.758 0.000 -0.147) 4.760 3.134 ( -13.097 0.000 -0.240) 13.099 3.134 ( 13.097 0.000 -0.240) 13.099 3.299 ( -6.957 0.000 -6.714) 9.669 3.299 ( 6.957 0.000 -6.714) 9.669 3.743 ( -8.388 0.000 7.588) 11.311 3.743 ( 8.388 0.000 7.588) 11.311 4.140 ( -1.052 0.000 -1.875) 2.150 4.140 ( 1.052 -0.000 -1.875) 2.150 4.452 ( -1.843 0.000 -4.101) 4.496 4.452 ( 1.843 0.000 -4.101) 4.496 4.598 ( -1.336 0.000 4.500) 4.694 4.598 ( 1.336 0.000 4.500) 4.694 4.996 ( -4.771 -0.000 -3.482) 5.907 4.996 ( 4.771 0.000 -3.482) 5.907 5.051 ( -2.010 0.000 -0.160) 2.016 5.051 ( 2.010 -0.000 -0.160) 2.016 5.520 ( -8.162 -0.000 3.603) 8.922 5.520 ( 8.162 0.000 3.603) 8.922 5.987 ( -0.950 0.000 1.420) 1.709 5.987 ( 0.950 -0.000 1.420) 1.709 6.438 ( -2.050 0.000 3.579) 4.124 6.438 ( 2.050 0.000 3.579) 4.124 6.663 ( -6.136 0.000 -7.072) 9.363 6.663 ( 6.137 0.000 -7.072) 9.363 7.363 ( -7.002 0.000 3.753) 7.945 7.363 ( 7.002 0.000 3.753) 7.945 7.859 ( -2.294 -0.000 0.143) 2.299 7.859 ( 2.294 0.000 0.143) 2.299 8.143 ( -1.100 0.000 3.666) 3.827 8.143 ( 1.100 0.000 3.666) 3.827 9.339 ( -3.071 0.000 -11.701) 12.097 9.339 ( 3.071 -0.000 -11.701) 12.097 9.813 ( -0.798 0.000 3.233) 3.330 9.813 ( 0.798 0.000 3.233) 3.330 9.953 ( -2.575 0.000 -9.271) 9.622 9.953 ( 2.575 -0.000 -9.271) 9.622 10.403 ( -2.460 -0.000 -3.767) 4.499 10.403 ( 2.460 0.000 -3.767) 4.499 10.607 ( -4.943 -0.000 -4.067) 6.401 10.607 ( 4.943 -0.000 -4.067) 6.401 10.903 ( -3.434 0.000 -2.806) 4.435 10.903 ( 3.434 0.000 -2.806) 4.435 11.363 ( -5.488 0.000 0.420) 5.504 11.363 ( 5.488 0.000 0.420) 5.504 11.845 ( -6.718 0.000 3.647) 7.644 11.845 ( 6.718 0.000 3.647) 7.644 12.125 ( -1.717 0.000 10.726) 10.863 12.125 ( 1.718 0.000 10.726) 10.863 12.412 ( -7.168 0.000 8.812) 11.359 12.412 ( 7.168 -0.000 8.812) 11.359 12.689 ( -7.043 0.000 10.745) 12.848 12.689 ( 7.043 0.000 10.745) 12.848 12.869 ( -0.226 0.000 7.243) 7.247 12.869 ( 0.226 0.000 7.243) 7.247 13.128 ( -3.248 0.000 -11.675) 12.119 13.128 ( 3.248 0.000 -11.675) 12.119 14.243 ( -4.309 0.000 -2.201) 4.839 14.243 ( 4.309 0.000 -2.201) 4.839 14.325 ( -4.908 0.000 -2.216) 5.385 14.325 ( 4.908 0.000 -2.216) 5.385 15.128 ( -1.067 0.000 -8.055) 8.125 15.128 ( 1.067 -0.000 -8.055) 8.125 15.192 ( -0.821 0.000 -7.581) 7.626 15.192 ( 0.821 0.000 -7.581) 7.626 19.280 ( -1.570 -0.000 1.643) 2.272 19.280 ( 1.570 0.000 1.643) 2.272 19.388 ( -3.130 0.000 0.455) 3.162 19.388 ( 3.130 0.000 0.455) 3.162 19.784 ( -6.587 0.000 5.673) 8.693 19.784 ( 6.587 0.000 5.673) 8.693 20.030 ( -0.711 0.000 5.377) 5.424 20.030 ( 0.711 0.000 5.377) 5.424 21.522 ( -0.267 0.000 -3.336) 3.346 21.522 ( 0.267 0.000 -3.336) 3.346 21.857 ( -4.322 0.000 -7.134) 8.341 21.857 ( 4.322 0.000 -7.134) 8.341 22.450 ( -1.305 0.000 3.778) 3.997 22.450 ( 1.305 0.000 3.778) 3.997 23.487 ( -10.771 0.000 -12.296) 16.346 23.487 ( 10.771 0.000 -12.296) 16.346======================= Grid point 165 (55/90) =======================q-point: ( 0.00 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.880 ( 0.000 0.000 23.944) 23.944 1.932 ( 0.000 0.000 28.951) 28.951 2.658 ( 0.000 0.000 14.601) 14.601 2.891 ( 0.000 0.000 11.291) 11.291 2.921 ( 0.000 0.000 9.750) 9.750 3.054 ( 0.000 0.000 -7.587) 7.587 3.143 ( 0.000 0.000 2.387) 2.387 3.228 ( 0.000 0.000 -2.339) 2.339 3.838 ( 0.000 0.000 25.598) 25.598 3.861 ( 0.000 0.000 5.376) 5.376 4.173 ( 0.000 0.000 0.016) 0.016 4.175 ( 0.000 0.000 11.128) 11.128 4.515 ( 0.000 0.000 6.269) 6.269 4.729 ( 0.000 0.000 -6.317) 6.317 4.784 ( 0.000 0.000 -7.313) 7.313 4.914 ( 0.000 0.000 -12.281) 12.281 5.042 ( 0.000 0.000 -9.544) 9.544 5.050 ( 0.000 0.000 12.457) 12.457 5.082 ( 0.000 0.000 -3.798) 3.798 5.296 ( 0.000 0.000 4.296) 4.296 5.502 ( 0.000 0.000 8.970) 8.970 5.859 ( 0.000 0.000 -9.814) 9.814 5.881 ( 0.000 0.000 6.830) 6.830 5.883 ( 0.000 0.000 3.504) 3.504 5.955 ( 0.000 0.000 -5.897) 5.897 6.163 ( 0.000 0.000 -0.229) 0.229 6.305 ( 0.000 0.000 -8.995) 8.995 6.791 ( 0.000 0.000 -10.884) 10.884 7.657 ( 0.000 0.000 16.795) 16.795 7.806 ( 0.000 0.000 -0.287) 0.287 7.851 ( 0.000 0.000 0.401) 0.401 7.901 ( 0.000 0.000 -0.556) 0.556 8.159 ( 0.000 0.000 7.762) 7.762 8.821 ( 0.000 0.000 8.542) 8.542 9.226 ( 0.000 0.000 -14.909) 14.909 9.280 ( 0.000 0.000 -8.678) 8.678 9.914 ( 0.000 0.000 10.248) 10.248 10.019 ( 0.000 0.000 1.141) 1.141 10.166 ( 0.000 0.000 -1.048) 1.048 10.262 ( 0.000 0.000 3.965) 3.965 10.301 ( 0.000 0.000 11.082) 11.082 10.410 ( 0.000 0.000 -5.984) 5.984 10.410 ( 0.000 0.000 -1.886) 1.886 10.862 ( 0.000 0.000 6.899) 6.899 10.930 ( 0.000 0.000 -1.451) 1.451 10.938 ( 0.000 0.000 -1.669) 1.669 11.103 ( 0.000 0.000 1.200) 1.200 11.328 ( 0.000 0.000 2.362) 2.362 11.423 ( 0.000 0.000 -7.727) 7.727 11.502 ( 0.000 0.000 5.415) 5.415 11.541 ( 0.000 0.000 4.779) 4.779 11.650 ( 0.000 0.000 -6.426) 6.426 11.800 ( 0.000 0.000 -1.052) 1.052 12.110 ( 0.000 0.000 -12.161) 12.161 12.249 ( 0.000 0.000 4.143) 4.143 12.682 ( 0.000 0.000 -9.265) 9.265 13.163 ( 0.000 0.000 5.359) 5.359 13.564 ( 0.000 0.000 -7.865) 7.865 13.827 ( 0.000 0.000 -18.181) 18.181 13.909 ( 0.000 0.000 -10.202) 10.202 14.076 ( 0.000 0.000 3.482) 3.482 14.267 ( 0.000 0.000 -3.160) 3.160 14.394 ( 0.000 0.000 -3.698) 3.698 14.433 ( 0.000 0.000 -3.111) 3.111 15.222 ( 0.000 0.000 -0.039) 0.039 15.410 ( 0.000 0.000 -4.348) 4.348 15.449 ( 0.000 0.000 3.382) 3.382 15.793 ( 0.000 0.000 -8.099) 8.099 19.163 ( 0.000 0.000 3.135) 3.135 19.330 ( 0.000 0.000 0.482) 0.482 19.507 ( 0.000 0.000 2.282) 2.282 19.630 ( 0.000 0.000 -3.192) 3.192 19.811 ( 0.000 0.000 5.652) 5.652 20.048 ( 0.000 0.000 -6.474) 6.474 20.102 ( 0.000 0.000 -1.784) 1.784 20.116 ( 0.000 0.000 -3.597) 3.597 21.982 ( 0.000 0.000 5.274) 5.274 22.015 ( 0.000 0.000 1.625) 1.625 22.032 ( 0.000 0.000 0.694) 0.694 22.103 ( 0.000 0.000 -0.155) 0.155 22.357 ( 0.000 0.000 6.087) 6.087 22.492 ( 0.000 0.000 6.124) 6.124 22.539 ( 0.000 0.000 5.226) 5.226 22.801 ( 0.000 0.000 -6.708) 6.708======================= Grid point 166 (56/90) =======================q-point: ( 0.10 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.997 ( 10.588 0.000 20.243) 22.844 2.024 ( 8.864 0.000 26.551) 27.992 2.731 ( 6.437 0.000 11.902) 13.531 2.882 ( -4.629 0.000 3.929) 6.072 2.913 ( 1.987 0.000 10.168) 10.360 3.051 ( 0.225 0.000 -0.024) 0.227 3.103 ( -2.612 0.000 0.882) 2.756 3.194 ( -1.589 0.000 0.121) 1.594 3.819 ( -0.459 0.000 21.328) 21.332 3.863 ( -0.136 0.000 2.975) 2.978 4.182 ( 1.077 0.000 2.194) 2.444 4.254 ( 5.848 0.000 8.102) 9.992 4.460 ( -4.338 0.000 5.734) 7.190 4.734 ( -0.079 0.000 -7.076) 7.077 4.788 ( -2.317 0.000 -1.349) 2.681 4.893 ( -3.805 0.000 -15.563) 16.022 4.954 ( -4.529 0.000 -1.534) 4.782 5.062 ( -0.173 0.000 5.018) 5.021 5.113 ( 5.184 0.000 -4.209) 6.677 5.213 ( -7.250 0.000 1.758) 7.460 5.501 ( -0.828 0.000 11.249) 11.279 5.799 ( -4.264 0.000 -1.205) 4.431 5.931 ( 3.620 0.000 -0.023) 3.620 5.940 ( 4.035 0.000 -0.846) 4.123 6.119 ( 14.700 0.000 -5.093) 15.557 6.175 ( 0.892 0.000 1.223) 1.514 6.318 ( 1.666 0.000 -9.888) 10.027 6.673 ( -10.473 0.000 -9.615) 14.218 7.606 ( -4.649 0.000 15.953) 16.617 7.727 ( -6.870 0.000 -0.225) 6.874 7.889 ( 2.409 0.000 1.447) 2.810 7.919 ( 1.735 0.000 0.759) 1.893 8.173 ( 0.622 0.000 5.332) 5.368 8.792 ( -3.006 0.000 8.234) 8.765 9.196 ( -3.460 0.000 -17.053) 17.400 9.274 ( -0.207 0.000 -8.891) 8.893 9.894 ( -1.725 0.000 9.775) 9.926 10.044 ( 1.961 0.000 1.450) 2.439 10.091 ( -6.116 0.000 1.050) 6.205 10.231 ( -2.827 0.000 5.497) 6.181 10.276 ( -2.505 0.000 7.730) 8.126 10.390 ( 0.956 0.000 2.398) 2.582 10.465 ( 1.920 0.000 -7.261) 7.510 10.588 ( -12.870 0.000 7.159) 14.727 10.933 ( 0.494 0.000 -2.589) 2.636 10.972 ( -3.099 0.000 -5.459) 6.277 11.277 ( 11.102 0.000 4.464) 11.966 11.388 ( -3.196 0.000 -5.283) 6.174 11.433 ( 8.502 0.000 -2.364) 8.825 11.597 ( 5.355 0.000 6.279) 8.252 11.622 ( 10.210 0.000 1.951) 10.395 11.708 ( 5.884 0.000 -5.968) 8.381 11.889 ( 8.626 0.000 -1.073) 8.693 12.145 ( 4.000 0.000 -9.709) 10.501 12.229 ( -0.886 0.000 5.953) 6.019 12.624 ( -4.924 0.000 -7.238) 8.754 13.187 ( 1.915 0.000 5.583) 5.902 13.470 ( -8.135 0.000 -5.908) 10.054 13.782 ( -4.787 0.000 -15.179) 15.916 13.900 ( -4.345 0.000 -14.439) 15.079 14.138 ( 5.166 0.000 1.264) 5.319 14.174 ( -3.179 0.000 2.625) 4.123 14.472 ( 4.434 0.000 -5.329) 6.933 14.478 ( 4.078 0.000 -4.307) 5.931 15.118 ( -9.959 0.000 2.049) 10.167 15.307 ( -8.944 0.000 2.731) 9.352 15.440 ( -2.123 0.000 -4.787) 5.237 15.714 ( -7.660 0.000 -8.033) 11.100 19.180 ( 1.601 0.000 2.827) 3.248 19.329 ( -0.210 0.000 0.037) 0.213 19.521 ( 1.315 0.000 1.535) 2.021 19.550 ( -8.216 0.000 -0.015) 8.216 19.785 ( -2.175 0.000 4.565) 5.057 19.801 ( -6.046 0.000 -0.082) 6.046 20.150 ( 3.023 0.000 -0.958) 3.172 20.515 ( 21.837 0.000 -11.864) 24.852 21.616 ( -27.025 0.000 11.422) 29.340 21.936 ( -10.647 0.000 -1.384) 10.737 21.981 ( -5.496 0.000 2.414) 6.002 22.040 ( -2.063 0.000 0.499) 2.123 22.411 ( 0.696 0.000 2.587) 2.679 22.445 ( 4.239 0.000 2.265) 4.806 22.560 ( 2.744 0.000 8.468) 8.901 23.150 ( 20.468 0.000 -10.428) 22.972======================= Grid point 167 (57/90) =======================q-point: ( 0.20 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.228 ( 11.606 0.000 13.859) 18.077 2.248 ( 13.019 0.000 20.212) 24.042 2.756 ( -6.831 0.000 0.480) 6.847 2.828 ( 1.597 0.000 4.837) 5.094 2.960 ( 3.222 0.000 7.457) 8.123 3.058 ( 0.753 0.000 3.862) 3.934 3.095 ( 1.748 0.000 0.200) 1.759 3.268 ( 10.060 0.000 -0.984) 10.108 3.831 ( 1.215 0.000 18.344) 18.384 3.834 ( -3.426 0.000 -2.927) 4.506 4.226 ( 3.463 0.000 6.787) 7.619 4.345 ( 2.358 0.000 -0.936) 2.537 4.382 ( -2.554 0.000 9.480) 9.818 4.689 ( -7.247 0.000 1.311) 7.365 4.704 ( -4.624 0.000 -5.474) 7.166 4.779 ( -2.108 0.000 -10.258) 10.473 4.889 ( -7.741 0.000 1.353) 7.859 4.988 ( -6.059 0.000 -5.197) 7.982 5.095 ( -1.230 0.000 -2.701) 2.968 5.276 ( 8.072 0.000 -3.828) 8.933 5.524 ( 4.813 0.000 10.901) 11.916 5.684 ( -7.855 0.000 0.805) 7.896 5.950 ( -2.198 0.000 -2.017) 2.983 6.012 ( 2.184 0.000 0.607) 2.267 6.207 ( 3.589 0.000 1.315) 3.822 6.363 ( 6.117 0.000 -10.234) 11.923 6.456 ( -9.937 0.000 -3.920) 10.682 6.461 ( 14.686 0.000 -4.333) 15.312 7.500 ( -5.495 0.000 15.215) 16.177 7.583 ( -6.570 0.000 2.125) 6.906 7.904 ( -1.531 0.000 1.196) 1.943 7.965 ( 2.704 0.000 -0.705) 2.794 8.150 ( -3.311 0.000 2.541) 4.174 8.702 ( -6.078 0.000 7.151) 9.385 9.098 ( -5.902 0.000 -18.421) 19.343 9.266 ( -1.037 0.000 -12.501) 12.544 9.867 ( -0.579 0.000 9.717) 9.735 9.962 ( -6.756 0.000 4.695) 8.228 10.031 ( -4.223 0.000 2.514) 4.915 10.214 ( 2.147 0.000 4.177) 4.697 10.221 ( -3.003 0.000 1.790) 3.496 10.427 ( -3.965 0.000 9.439) 10.237 10.439 ( 3.832 0.000 -0.119) 3.834 10.493 ( 1.492 0.000 -3.616) 3.912 10.873 ( -6.538 0.000 -9.190) 11.278 10.960 ( 1.827 0.000 -3.020) 3.530 11.297 ( -5.219 0.000 -2.289) 5.699 11.478 ( 9.685 0.000 5.176) 10.981 11.570 ( 3.978 0.000 -8.114) 9.036 11.737 ( 8.317 0.000 6.168) 10.355 11.791 ( 5.712 0.000 0.894) 5.781 11.887 ( 12.558 0.000 -5.083) 13.548 12.097 ( 11.228 0.000 -0.657) 11.247 12.250 ( 4.830 0.000 2.660) 5.514 12.296 ( 9.748 0.000 1.111) 9.811 12.548 ( -1.316 0.000 -1.638) 2.101 13.206 ( -1.146 0.000 6.268) 6.372 13.291 ( -9.257 0.000 -3.015) 9.735 13.649 ( -8.551 0.000 -11.320) 14.187 13.689 ( -14.360 0.000 -10.928) 18.045 14.197 ( 2.286 0.000 2.969) 3.747 14.224 ( 2.554 0.000 -0.055) 2.554 14.545 ( 3.272 0.000 -6.839) 7.581 14.573 ( 5.017 0.000 -6.119) 7.913 14.878 ( -12.856 0.000 4.884) 13.753 15.083 ( -13.233 0.000 4.971) 14.135 15.371 ( -4.419 0.000 -9.653) 10.617 15.520 ( -11.372 0.000 -8.196) 14.018 19.220 ( 2.329 0.000 2.175) 3.186 19.313 ( -1.732 0.000 -0.388) 1.775 19.405 ( -4.579 0.000 4.429) 6.371 19.548 ( 0.849 0.000 -1.027) 1.332 19.752 ( -0.211 0.000 4.476) 4.481 19.760 ( 0.036 0.000 -0.551) 0.552 20.214 ( 2.950 0.000 3.383) 4.489 20.761 ( -5.089 0.000 -4.505) 6.797 21.234 ( -2.555 0.000 4.469) 5.148 21.711 ( -10.906 0.000 -3.999) 11.616 21.859 ( -7.286 0.000 2.505) 7.705 21.976 ( -4.188 0.000 -0.994) 4.304 22.479 ( 0.436 0.000 0.467) 0.639 22.504 ( 8.067 0.000 -1.691) 8.242 22.632 ( 3.198 0.000 10.371) 10.853 23.442 ( 8.793 0.000 -14.237) 16.734======================= Grid point 168 (58/90) =======================q-point: ( 0.30 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.425 ( 8.425 0.000 6.651) 10.734 2.494 ( 10.894 0.000 10.160) 14.897 2.652 ( -3.494 0.000 -0.169) 3.498 2.804 ( -3.058 0.000 -0.119) 3.060 3.061 ( 7.316 0.000 3.410) 8.072 3.107 ( 4.234 0.000 1.517) 4.497 3.148 ( 3.774 0.000 3.140) 4.909 3.521 ( 13.762 0.000 -5.720) 14.904 3.731 ( -6.083 0.000 -6.660) 9.019 3.841 ( -1.215 0.000 14.291) 14.342 4.286 ( 1.925 0.000 9.401) 9.596 4.316 ( -4.532 0.000 -5.438) 7.079 4.413 ( 5.862 0.000 10.112) 11.688 4.486 ( -13.403 0.000 1.964) 13.546 4.562 ( -9.416 0.000 -4.664) 10.508 4.669 ( -10.606 0.000 -3.124) 11.057 4.852 ( 6.949 0.000 -0.476) 6.965 4.881 ( -3.608 0.000 -6.569) 7.495 5.153 ( 4.904 0.000 -4.136) 6.416 5.299 ( -9.058 0.000 -5.312) 10.500 5.545 ( -2.639 0.000 3.767) 4.600 5.692 ( 10.435 0.000 8.366) 13.374 5.907 ( 1.036 0.000 -1.297) 1.660 6.035 ( -0.514 0.000 4.491) 4.520 6.259 ( -1.273 0.000 -1.446) 1.927 6.373 ( 4.358 0.000 3.929) 5.867 6.453 ( 2.542 0.000 -8.854) 9.212 6.685 ( 6.084 0.000 -4.561) 7.604 7.424 ( -1.068 0.000 13.609) 13.651 7.501 ( -1.481 0.000 3.106) 3.441 7.829 ( -5.619 0.000 0.446) 5.637 7.976 ( -4.124 0.000 -4.438) 6.058 8.092 ( 0.478 0.000 2.516) 2.561 8.561 ( -8.015 0.000 5.646) 9.804 8.991 ( -4.360 0.000 -19.110) 19.601 9.221 ( -3.679 0.000 -15.316) 15.752 9.842 ( -4.978 0.000 3.384) 6.019 9.879 ( 1.842 0.000 10.384) 10.546 9.945 ( -3.306 0.000 1.083) 3.479 10.142 ( -5.491 0.000 -4.280) 6.962 10.228 ( -1.973 0.000 2.315) 3.041 10.404 ( -0.809 0.000 5.372) 5.433 10.528 ( 3.739 0.000 -1.279) 3.952 10.532 ( 3.243 0.000 -1.907) 3.762 10.752 ( -3.514 0.000 -6.700) 7.565 11.007 ( 3.540 0.000 -2.837) 4.536 11.193 ( -5.259 0.000 0.931) 5.341 11.579 ( -2.645 0.000 -9.902) 10.250 11.670 ( 9.749 0.000 4.710) 10.827 11.875 ( 4.005 0.000 4.625) 6.118 11.910 ( 9.180 0.000 6.218) 11.087 12.176 ( 14.713 0.000 -4.103) 15.275 12.299 ( 10.336 0.000 0.290) 10.340 12.382 ( 8.016 0.000 9.472) 12.409 12.503 ( 10.146 0.000 -0.148) 10.148 12.588 ( 4.546 0.000 2.448) 5.163 13.092 ( -10.691 0.000 3.553) 11.266 13.134 ( -6.457 0.000 -0.595) 6.484 13.432 ( -10.844 0.000 0.988) 10.889 13.453 ( -11.162 0.000 -8.335) 13.930 14.198 ( -1.691 0.000 1.443) 2.223 14.226 ( -1.967 0.000 -0.171) 1.974 14.559 ( -5.665 0.000 -6.476) 8.604 14.605 ( -5.940 0.000 -6.214) 8.596 14.715 ( 0.440 0.000 2.170) 2.214 14.871 ( -3.623 0.000 2.223) 4.250 15.280 ( -4.804 0.000 -11.147) 12.138 15.296 ( -10.910 0.000 -8.112) 13.595 19.268 ( 2.603 0.000 1.442) 2.976 19.278 ( -0.939 0.000 2.235) 2.425 19.362 ( -0.995 0.000 2.670) 2.849 19.529 ( -2.707 0.000 -2.462) 3.659 19.780 ( 1.889 0.000 0.296) 1.912 19.806 ( 5.490 0.000 4.300) 6.974 20.247 ( 0.042 0.000 6.079) 6.079 20.457 ( -17.692 0.000 9.185) 19.934 21.385 ( 9.910 0.000 -8.683) 13.176 21.534 ( -6.733 0.000 -5.653) 8.792 21.707 ( -7.837 0.000 2.183) 8.136 21.883 ( -5.132 0.000 -2.723) 5.809 22.489 ( 0.825 0.000 1.508) 1.719 22.661 ( -0.215 0.000 9.232) 9.235 22.711 ( 12.458 0.000 -7.467) 14.524 23.508 ( -1.410 0.000 -15.144) 15.210======================= Grid point 169 (59/90) =======================q-point: ( 0.40 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.565 ( 5.941 0.000 -0.592) 5.970 2.618 ( -0.092 0.000 -2.466) 2.468 2.634 ( 2.962 0.000 -1.407) 3.279 2.736 ( -3.588 0.000 -3.012) 4.684 3.219 ( 6.477 0.000 4.557) 7.919 3.239 ( 4.774 0.000 1.670) 5.058 3.246 ( 11.260 0.000 -0.673) 11.281 3.652 ( -0.057 0.000 -6.337) 6.337 3.706 ( -5.045 0.000 3.754) 6.289 3.807 ( 7.516 0.000 -7.380) 10.534 4.134 ( -17.744 0.000 2.480) 17.916 4.204 ( -8.015 0.000 2.886) 8.519 4.382 ( -4.608 0.000 -4.824) 6.671 4.388 ( 5.635 0.000 7.230) 9.166 4.516 ( -6.456 0.000 -2.308) 6.856 4.544 ( 5.168 0.000 9.795) 11.075 4.849 ( -0.312 0.000 -2.190) 2.212 4.996 ( 7.131 0.000 1.002) 7.201 5.031 ( -14.110 0.000 -2.943) 14.413 5.207 ( -1.011 0.000 -3.147) 3.305 5.561 ( 3.324 0.000 5.661) 6.564 5.874 ( 10.615 0.000 -0.647) 10.634 5.903 ( -11.050 0.000 7.850) 13.555 6.068 ( 11.093 0.000 4.937) 12.142 6.335 ( 7.554 0.000 0.910) 7.609 6.448 ( -2.248 0.000 -8.288) 8.587 6.465 ( 2.874 0.000 3.676) 4.666 6.673 ( -6.499 0.000 -4.695) 8.018 7.486 ( 6.945 0.000 9.293) 11.601 7.518 ( 2.760 0.000 1.781) 3.284 7.706 ( -6.390 0.000 -0.193) 6.392 7.837 ( -8.576 0.000 -2.211) 8.856 8.153 ( 4.439 0.000 0.718) 4.497 8.401 ( -7.985 0.000 3.968) 8.916 8.948 ( 0.310 0.000 -18.489) 18.492 9.122 ( -6.142 0.000 -15.992) 17.131 9.790 ( 0.272 0.000 -1.740) 1.761 9.920 ( 0.852 0.000 2.652) 2.785 9.932 ( 2.948 0.000 8.895) 9.371 10.005 ( -8.050 0.000 -6.820) 10.551 10.166 ( -3.317 0.000 0.385) 3.339 10.299 ( -8.509 0.000 -7.783) 11.532 10.571 ( 1.925 0.000 -1.047) 2.191 10.598 ( 1.731 0.000 -1.922) 2.587 10.799 ( 6.728 0.000 4.090) 7.873 11.084 ( -6.156 0.000 3.383) 7.024 11.122 ( 8.223 0.000 -4.195) 9.231 11.480 ( -7.205 0.000 -8.641) 11.251 11.850 ( 8.238 0.000 4.405) 9.341 11.956 ( 3.569 0.000 6.696) 7.587 12.096 ( 9.654 0.000 5.738) 11.231 12.324 ( 1.242 0.000 5.063) 5.213 12.518 ( 4.909 0.000 11.400) 12.412 12.585 ( 15.158 0.000 -3.137) 15.479 12.666 ( 3.555 0.000 4.070) 5.404 12.709 ( 9.061 0.000 -0.839) 9.099 12.887 ( -4.536 0.000 2.667) 5.262 13.013 ( -7.058 0.000 2.732) 7.568 13.232 ( -10.574 0.000 9.746) 14.380 13.234 ( -10.615 0.000 -5.058) 11.758 14.176 ( -2.066 0.000 -1.573) 2.597 14.180 ( 0.879 0.000 -2.859) 2.991 14.374 ( -12.848 0.000 -3.744) 13.383 14.394 ( -8.733 0.000 -4.248) 9.711 14.810 ( 6.547 0.000 -2.944) 7.178 14.936 ( 6.388 0.000 -4.308) 7.705 15.103 ( -8.756 0.000 -6.812) 11.094 15.181 ( -5.375 0.000 -9.909) 11.273 19.283 ( 1.186 0.000 2.917) 3.149 19.323 ( 3.049 0.000 0.526) 3.094 19.342 ( -1.195 0.000 2.002) 2.331 19.462 ( -3.777 0.000 -1.684) 4.135 19.838 ( 4.237 0.000 2.251) 4.798 19.942 ( 7.783 0.000 3.540) 8.550 20.156 ( -12.773 0.000 8.245) 15.203 20.207 ( -4.155 0.000 5.885) 7.204 21.454 ( -1.423 0.000 -4.520) 4.739 21.548 ( 6.920 0.000 -7.847) 10.462 21.566 ( -6.243 0.000 0.911) 6.309 21.779 ( -5.482 0.000 -4.419) 7.041 22.518 ( 2.165 0.000 3.165) 3.835 22.631 ( -2.622 0.000 7.394) 7.845 22.970 ( 13.399 0.000 -12.094) 18.050 23.412 ( -7.826 0.000 -15.060) 16.972======================= Grid point 170 (60/90) =======================q-point: (-0.50 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 81Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.637 ( -1.425 0.000 -4.695) 4.906 2.637 ( 1.425 0.000 -4.695) 4.906 2.662 ( -4.148 0.000 -3.993) 5.758 2.662 ( 4.148 0.000 -3.993) 5.758 3.293 ( -0.631 0.000 0.717) 0.956 3.293 ( 0.631 0.000 0.717) 0.956 3.488 ( -12.977 0.000 -1.855) 13.109 3.488 ( 12.977 0.000 -1.855) 13.109 3.798 ( -14.468 0.000 0.625) 14.482 3.798 ( 14.468 0.000 0.625) 14.482 4.010 ( -10.531 0.000 -3.027) 10.957 4.010 ( 10.531 0.000 -3.027) 10.957 4.402 ( -4.618 0.000 0.004) 4.618 4.402 ( 4.618 0.000 0.004) 4.618 4.533 ( -6.760 0.000 7.598) 10.170 4.533 ( 6.760 0.000 7.598) 10.170 4.859 ( -2.527 0.000 -0.524) 2.581 4.859 ( 2.527 0.000 -0.524) 2.581 5.127 ( -6.013 0.000 -0.260) 6.019 5.127 ( 6.013 0.000 -0.260) 6.019 5.687 ( -9.572 0.000 7.644) 12.249 5.687 ( 9.572 0.000 7.644) 12.249 6.102 ( -9.177 0.000 -0.810) 9.213 6.102 ( 9.177 0.000 -0.810) 9.213 6.458 ( -3.726 0.000 2.985) 4.774 6.458 ( 3.726 0.000 2.985) 4.774 6.499 ( -8.865 0.000 -4.457) 9.922 6.499 ( 8.865 0.000 -4.457) 9.922 7.594 ( -4.838 0.000 0.104) 4.839 7.594 ( 4.838 0.000 0.104) 4.839 7.657 ( -9.516 0.000 2.812) 9.923 7.657 ( 9.516 0.000 2.812) 9.923 8.258 ( -6.378 0.000 1.871) 6.647 8.258 ( 6.378 0.000 1.871) 6.647 9.004 ( -5.080 0.000 -16.888) 17.635 9.004 ( 5.080 0.000 -16.888) 17.635 9.857 ( -6.156 0.000 -5.856) 8.497 9.857 ( 6.156 0.000 -5.856) 8.497 9.955 ( -1.506 0.000 7.286) 7.440 9.955 ( 1.506 0.000 7.286) 7.440 10.158 ( -4.107 0.000 -7.017) 8.131 10.158 ( 4.107 0.000 -7.017) 8.131 10.602 ( -0.999 0.000 -1.387) 1.709 10.602 ( 0.999 0.000 -1.387) 1.709 10.948 ( -7.624 0.000 5.138) 9.194 10.948 ( 7.624 0.000 5.138) 9.194 11.307 ( -9.886 0.000 -6.522) 11.844 11.307 ( 9.886 0.000 -6.522) 11.844 11.970 ( -3.055 0.000 5.427) 6.228 11.970 ( 3.055 0.000 5.427) 6.228 12.265 ( -6.670 0.000 6.140) 9.066 12.265 ( 6.670 0.000 6.140) 9.066 12.597 ( -4.683 0.000 8.836) 10.001 12.597 ( 4.683 0.000 8.836) 10.001 12.796 ( -8.107 0.000 -2.444) 8.467 12.796 ( 8.107 0.000 -2.444) 8.467 13.012 ( -11.263 0.000 8.075) 13.859 13.012 ( 11.263 0.000 8.075) 13.859 13.013 ( -12.173 0.000 0.353) 12.178 13.013 ( 12.173 0.000 0.353) 12.178 14.193 ( -4.795 0.000 -3.441) 5.901 14.193 ( 4.795 0.000 -3.441) 5.901 14.247 ( -5.814 0.000 -4.756) 7.511 14.247 ( 5.814 0.000 -4.756) 7.511 14.947 ( -7.359 0.000 -4.819) 8.796 14.947 ( 7.359 0.000 -4.819) 8.796 15.065 ( -6.425 0.000 -7.391) 9.793 15.065 ( 6.425 0.000 -7.391) 9.793 19.313 ( -1.696 0.000 2.443) 2.974 19.313 ( 1.696 0.000 2.443) 2.974 19.389 ( -3.578 0.000 -0.574) 3.623 19.389 ( 3.578 0.000 -0.574) 3.623 19.955 ( -7.902 0.000 5.184) 9.451 19.955 ( 7.902 0.000 5.184) 9.451 20.093 ( -7.155 0.000 4.267) 8.331 20.093 ( 7.155 0.000 4.267) 8.331 21.472 ( -3.072 0.000 -1.600) 3.464 21.472 ( 3.072 0.000 -1.600) 3.464 21.669 ( -5.714 0.000 -6.077) 8.341 21.669 ( 5.714 0.000 -6.077) 8.341 22.571 ( -3.140 0.000 5.242) 6.111 22.571 ( 3.140 0.000 5.242) 6.111 23.218 ( -11.587 0.000 -14.325) 18.425 23.218 ( 11.587 0.000 -14.325) 18.425======================= Grid point 176 (61/90) =======================q-point: ( 0.00 0.25 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.984 ( 0.000 9.375 22.230) 24.126 2.033 ( 0.000 9.034 27.946) 29.370 2.540 ( 0.000 -11.035 14.515) 18.233 2.614 ( 0.000 -14.948 18.042) 23.430 3.071 ( 0.000 2.265 -9.518) 9.784 3.118 ( 0.000 0.264 2.860) 2.872 3.120 ( 0.000 7.146 5.640) 9.104 3.253 ( 0.000 0.185 -4.299) 4.303 3.835 ( 0.000 2.842 21.293) 21.482 3.986 ( 0.000 8.885 6.994) 11.307 4.115 ( 0.000 -4.002 8.436) 9.337 4.268 ( 0.000 4.454 5.243) 6.879 4.554 ( 0.000 1.699 5.071) 5.348 4.565 ( 0.000 -8.475 0.610) 8.497 4.737 ( 0.000 -5.266 -3.915) 6.562 4.866 ( 0.000 -6.924 -14.590) 16.150 4.980 ( 0.000 1.521 -0.596) 1.634 5.080 ( 0.000 0.420 4.465) 4.485 5.217 ( 0.000 8.199 -2.225) 8.496 5.358 ( 0.000 5.027 0.973) 5.120 5.494 ( 0.000 -0.039 10.652) 10.652 5.675 ( 0.000 -10.401 5.763) 11.891 5.816 ( 0.000 -4.032 -8.786) 9.667 5.876 ( 0.000 -3.781 3.268) 4.998 6.038 ( 0.000 7.080 -7.698) 10.458 6.286 ( 0.000 -1.403 -8.369) 8.486 6.313 ( 0.000 8.835 -5.829) 10.584 6.701 ( 0.000 -7.569 -10.241) 12.734 7.671 ( 0.000 0.825 10.015) 10.048 7.741 ( 0.000 -3.166 2.958) 4.333 7.910 ( 0.000 5.242 4.030) 6.612 7.988 ( 0.000 4.217 -2.193) 4.753 8.251 ( 0.000 8.251 8.890) 12.129 8.721 ( 0.000 -8.970 9.984) 13.422 9.228 ( 0.000 0.114 -12.930) 12.931 9.261 ( 0.000 -1.479 -8.289) 8.420 10.000 ( 0.000 7.193 8.714) 11.299 10.081 ( 0.000 4.424 0.985) 4.532 10.183 ( 0.000 1.289 2.096) 2.461 10.232 ( 0.000 -4.612 8.576) 9.737 10.271 ( 0.000 1.372 0.576) 1.487 10.377 ( 0.000 -2.533 -1.030) 2.735 10.452 ( 0.000 3.187 -5.078) 5.995 10.778 ( 0.000 -9.427 -2.038) 9.645 10.878 ( 0.000 -2.850 -2.023) 3.495 10.978 ( 0.000 1.363 -2.539) 2.882 11.098 ( 0.000 1.975 7.017) 7.289 11.309 ( 0.000 -2.193 2.868) 3.611 11.414 ( 0.000 0.510 -4.298) 4.328 11.485 ( 0.000 -1.483 4.212) 4.465 11.562 ( 0.000 1.554 0.149) 1.561 11.636 ( 0.000 -1.309 -5.512) 5.665 11.861 ( 0.000 5.155 2.031) 5.540 12.169 ( 0.000 -6.807 5.080) 8.493 12.211 ( 0.000 8.405 -10.494) 13.445 12.590 ( 0.000 -7.229 -7.310) 10.281 13.273 ( 0.000 8.115 -0.272) 8.120 13.533 ( 0.000 -3.002 -7.590) 8.162 13.853 ( 0.000 2.239 -18.058) 18.197 13.912 ( 0.000 0.058 -11.643) 11.643 14.083 ( 0.000 0.867 3.789) 3.887 14.219 ( 0.000 -4.121 -1.815) 4.503 14.399 ( 0.000 0.439 -3.757) 3.783 14.426 ( 0.000 -0.597 -3.374) 3.427 15.250 ( 0.000 2.742 1.064) 2.942 15.414 ( 0.000 -3.136 3.217) 4.492 15.481 ( 0.000 5.896 -5.041) 7.757 15.746 ( 0.000 -4.326 -7.499) 8.658 19.201 ( 0.000 3.452 3.310) 4.783 19.363 ( 0.000 3.211 0.958) 3.351 19.421 ( 0.000 -5.768 2.852) 6.434 19.620 ( 0.000 -5.472 -2.023) 5.834 19.797 ( 0.000 2.980 4.877) 5.715 19.997 ( 0.000 -3.888 -3.828) 5.456 20.146 ( 0.000 2.406 -3.864) 4.552 20.146 ( 0.000 1.745 -5.387) 5.663 21.971 ( 0.000 -0.685 5.017) 5.063 21.985 ( 0.000 -1.341 2.676) 2.993 22.076 ( 0.000 2.488 0.014) 2.489 22.119 ( 0.000 0.868 -0.479) 0.991 22.373 ( 0.000 1.461 6.147) 6.318 22.466 ( 0.000 -2.088 6.172) 6.516 22.563 ( 0.000 2.162 4.441) 4.939 22.744 ( 0.000 -4.783 -3.719) 6.058======================= Grid point 177 (62/90) =======================q-point: ( 0.10 0.25 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.059 ( 7.781 6.549 20.550) 22.929 2.136 ( 9.216 8.931 23.746) 26.992 2.587 ( 4.900 -12.089 14.679) 19.637 2.679 ( 4.583 -11.131 14.768) 19.052 2.992 ( -5.684 1.414 -6.306) 8.607 3.089 ( -1.733 1.586 2.718) 3.593 3.122 ( -0.529 2.897 3.761) 4.777 3.269 ( 1.392 4.852 -3.805) 6.321 3.821 ( -0.255 2.216 15.721) 15.878 3.982 ( -0.374 8.255 6.779) 10.688 4.177 ( 3.640 -0.636 8.656) 9.412 4.309 ( 3.916 3.346 6.202) 8.063 4.467 ( -5.325 -0.639 1.567) 5.588 4.518 ( -5.365 -9.066 3.335) 11.049 4.756 ( -0.543 -6.360 -5.694) 8.554 4.855 ( -1.120 -6.372 -6.192) 8.955 4.963 ( -0.280 2.137 -3.033) 3.721 5.109 ( 1.230 3.474 2.530) 4.470 5.185 ( -2.067 5.588 -3.895) 7.118 5.329 ( -2.643 8.915 -3.784) 10.039 5.447 ( -2.260 -4.211 9.325) 10.479 5.705 ( -0.110 -5.560 5.847) 8.069 5.867 ( 2.058 -5.195 -6.919) 8.894 5.909 ( 4.045 -2.619 0.856) 4.894 6.071 ( 6.678 -0.789 -2.882) 7.316 6.200 ( -8.224 -2.900 -6.603) 10.939 6.389 ( 5.645 5.769 -9.116) 12.176 6.689 ( -0.515 1.438 -6.669) 6.841 7.560 ( -7.893 -2.215 7.035) 10.802 7.766 ( -0.573 0.793 6.969) 7.037 7.915 ( 0.363 2.554 4.547) 5.228 7.996 ( 0.859 6.253 -3.203) 7.078 8.245 ( -0.922 6.709 6.715) 9.537 8.690 ( -3.261 -9.084 9.556) 13.582 9.189 ( -3.561 -0.467 -15.313) 15.729 9.252 ( -1.140 -1.883 -8.192) 8.483 9.968 ( -2.733 6.045 8.254) 10.590 10.035 ( -6.487 -2.131 3.332) 7.598 10.123 ( 0.675 4.492 1.852) 4.905 10.228 ( -1.332 -1.451 6.299) 6.600 10.293 ( -0.012 3.108 2.970) 4.299 10.347 ( -0.158 -3.144 2.505) 4.023 10.476 ( -1.359 0.444 -5.224) 5.416 10.660 ( -10.332 5.007 2.929) 11.849 10.811 ( 0.970 -8.943 -2.766) 9.411 10.955 ( -3.036 -2.510 -6.022) 7.196 11.240 ( 11.403 -1.900 0.653) 11.579 11.409 ( 0.283 2.220 -4.037) 4.616 11.468 ( 7.730 1.548 1.354) 7.999 11.553 ( 5.295 -3.204 0.415) 6.203 11.654 ( 8.913 2.196 1.159) 9.253 11.713 ( 8.287 0.174 -2.022) 8.532 11.893 ( 4.535 1.078 2.230) 5.168 12.169 ( 0.931 -4.328 5.944) 7.412 12.241 ( 3.104 7.094 -8.182) 11.265 12.561 ( -2.632 -5.388 -6.371) 8.749 13.256 ( -1.323 5.343 1.093) 5.612 13.455 ( -6.909 -1.442 -5.241) 8.791 13.797 ( -5.565 1.331 -15.357) 16.389 13.882 ( -5.889 -1.640 -14.760) 15.976 14.140 ( 4.223 0.093 1.862) 4.617 14.163 ( -0.402 -0.818 2.854) 2.996 14.459 ( 4.119 -0.663 -5.099) 6.588 14.482 ( 4.662 0.102 -4.784) 6.681 15.148 ( -9.874 2.803 2.682) 10.609 15.293 ( -10.219 -1.976 3.827) 11.090 15.472 ( -2.258 3.361 -6.274) 7.467 15.677 ( -6.779 -3.375 -7.741) 10.830 19.210 ( 0.868 2.691 3.094) 4.192 19.362 ( -0.121 3.170 0.568) 3.223 19.415 ( -1.051 -5.354 2.435) 5.974 19.605 ( -1.883 -3.449 -3.278) 5.117 19.673 ( -7.321 -0.486 5.840) 9.378 19.914 ( -2.874 5.037 0.303) 5.807 20.109 ( 3.141 -3.515 -0.329) 4.725 20.533 ( 21.245 1.281 -12.443) 24.654 21.616 ( -26.729 -0.009 11.393) 29.056 21.942 ( -10.841 0.442 -1.068) 10.903 21.970 ( -5.561 -0.697 2.549) 6.157 22.071 ( -2.405 2.195 -0.304) 3.270 22.381 ( 1.728 -2.057 3.007) 4.032 22.456 ( 1.571 0.550 1.826) 2.471 22.550 ( 3.992 -0.759 8.794) 9.688 23.128 ( 21.116 -1.617 -8.468) 22.808======================= Grid point 178 (63/90) =======================q-point: ( 0.20 0.25 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.258 ( 11.108 3.944 14.449) 18.647 2.355 ( 12.478 8.013 17.818) 23.182 2.693 ( 1.654 -8.229 8.655) 12.056 2.727 ( 3.211 -5.509 9.910) 11.784 2.927 ( 0.145 -0.746 -0.874) 1.158 3.057 ( -1.453 -2.616 -0.135) 2.996 3.123 ( 0.114 2.670 1.009) 2.856 3.336 ( 6.484 5.531 -4.152) 9.480 3.827 ( 0.081 1.532 8.403) 8.542 3.960 ( -2.317 7.697 7.348) 10.891 4.234 ( 2.944 1.665 10.272) 10.815 4.310 ( -4.681 -1.534 8.028) 9.419 4.373 ( -5.301 -9.961 0.341) 11.289 4.487 ( 4.443 1.415 0.510) 4.690 4.695 ( -4.098 -3.570 -7.243) 9.055 4.809 ( -5.359 -6.621 1.060) 8.584 4.962 ( -0.850 2.815 -5.039) 5.834 5.064 ( -5.803 10.213 -3.307) 12.203 5.122 ( -2.228 3.673 -3.914) 5.811 5.341 ( 2.613 1.285 -4.501) 5.361 5.481 ( 5.837 0.004 6.238) 8.543 5.648 ( -4.635 -3.034 2.207) 5.964 5.877 ( -1.798 -7.377 -3.556) 8.384 5.981 ( 2.628 0.117 0.080) 2.631 6.063 ( -2.313 -11.743 -6.862) 13.797 6.237 ( 6.938 -3.331 6.038) 9.783 6.476 ( 3.423 4.062 -10.214) 11.513 6.716 ( 3.476 9.746 -2.429) 10.628 7.411 ( -6.424 -2.979 7.568) 10.365 7.714 ( -3.825 4.179 7.306) 9.246 7.909 ( -1.944 2.075 3.819) 4.762 8.007 ( 0.064 4.042 -4.156) 5.798 8.204 ( -3.167 4.980 3.724) 6.978 8.594 ( -6.353 -9.414 8.335) 14.088 9.103 ( -4.772 0.356 -18.274) 18.890 9.216 ( -2.523 -3.975 -10.242) 11.272 9.907 ( -4.044 -0.503 2.592) 4.830 9.933 ( -2.579 3.193 10.251) 11.043 10.111 ( -4.640 4.371 6.419) 9.047 10.220 ( 1.893 0.914 1.152) 2.397 10.262 ( -1.683 4.256 -0.055) 4.577 10.347 ( -4.056 -5.794 6.006) 9.279 10.435 ( 3.753 -0.102 0.737) 3.826 10.565 ( -1.140 2.368 -3.534) 4.404 10.800 ( -3.733 -3.831 -7.775) 9.438 10.929 ( 1.571 -2.753 -0.812) 3.273 11.336 ( -4.683 2.863 -6.559) 8.553 11.453 ( 6.471 -1.850 -3.021) 7.378 11.606 ( 6.421 2.406 1.214) 6.964 11.668 ( 6.395 -3.874 3.748) 8.364 11.828 ( 8.658 1.747 -0.344) 8.839 11.925 ( 11.807 2.663 -2.367) 12.333 12.057 ( 10.833 -2.244 2.883) 11.432 12.234 ( 5.667 -2.917 8.305) 10.469 12.346 ( 7.348 4.965 -4.803) 10.085 12.529 ( 1.117 -1.939 -1.774) 2.855 13.225 ( -2.854 1.710 3.717) 4.989 13.290 ( -8.943 -0.330 -2.358) 9.254 13.640 ( -10.227 -0.662 -10.878) 14.945 13.683 ( -12.283 -0.421 -11.327) 16.714 14.186 ( 2.069 -0.614 2.861) 3.584 14.232 ( 2.456 0.435 0.443) 2.533 14.542 ( 3.906 -0.197 -6.941) 7.967 14.575 ( 4.590 0.126 -6.264) 7.767 14.904 ( -13.388 2.295 5.092) 14.507 15.056 ( -13.104 -2.385 5.018) 14.233 15.394 ( -5.271 1.937 -9.578) 11.103 15.502 ( -10.379 -1.635 -8.397) 13.450 19.233 ( 1.432 1.106 2.553) 3.129 19.341 ( -2.675 1.858 0.427) 3.285 19.380 ( -1.039 -0.950 3.151) 3.451 19.556 ( -1.930 -1.109 -2.862) 3.626 19.629 ( 1.227 -4.089 5.531) 6.988 19.886 ( -0.139 5.581 -0.440) 5.600 20.180 ( 3.471 -2.865 4.568) 6.413 20.774 ( -5.728 0.965 -4.638) 7.434 21.234 ( -2.093 0.043 4.130) 4.631 21.714 ( -10.936 0.258 -3.928) 11.623 21.847 ( -7.278 -0.859 2.707) 7.813 22.002 ( -4.391 1.943 -1.838) 5.141 22.444 ( 2.247 -2.245 1.137) 3.374 22.513 ( 6.589 0.192 -1.935) 6.870 22.630 ( 3.053 -0.131 10.488) 10.924 23.428 ( 9.101 -1.026 -12.952) 15.863======================= Grid point 179 (64/90) =======================q-point: ( 0.30 0.25 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.446 ( 7.352 3.351 7.166) 10.800 2.590 ( 10.053 7.403 9.246) 15.535 2.681 ( 0.363 0.565 1.142) 1.325 2.790 ( 1.065 -1.188 3.180) 3.558 3.004 ( 6.268 -5.415 1.416) 8.403 3.050 ( 2.397 -4.675 1.324) 5.418 3.115 ( -0.442 -0.372 -0.730) 0.931 3.485 ( 5.958 -2.858 -7.317) 9.859 3.812 ( -0.380 6.206 -0.164) 6.220 3.898 ( -3.467 3.682 12.309) 13.307 4.189 ( -6.253 -7.431 2.066) 9.929 4.299 ( -1.281 0.677 6.300) 6.464 4.328 ( 3.458 -5.369 9.253) 11.243 4.511 ( -4.216 3.543 -6.272) 8.346 4.629 ( -6.864 1.220 -1.484) 7.128 4.665 ( -1.963 -1.026 0.021) 2.215 4.917 ( -3.175 3.320 -5.471) 7.144 4.983 ( -0.909 9.520 -3.017) 10.027 5.133 ( 2.386 -0.827 -4.066) 4.786 5.278 ( -9.977 -2.951 -4.273) 11.248 5.580 ( -1.521 0.588 4.236) 4.539 5.639 ( 8.978 -1.091 3.608) 9.737 5.877 ( 4.346 -2.954 -0.378) 5.269 6.043 ( 3.548 1.999 4.318) 5.936 6.062 ( -0.167 -12.308 -3.951) 12.927 6.333 ( 4.689 -2.840 7.340) 9.161 6.541 ( 2.914 3.864 -8.432) 9.722 6.772 ( 0.252 5.003 -3.334) 6.017 7.339 ( -0.428 -2.290 8.157) 8.483 7.647 ( -2.551 4.788 5.258) 7.555 7.821 ( -6.395 2.820 1.620) 7.175 7.985 ( -3.239 0.292 -4.722) 5.734 8.151 ( -0.987 4.748 2.920) 5.661 8.457 ( -7.113 -8.639 6.785) 13.087 9.019 ( -3.364 1.957 -19.567) 19.950 9.156 ( -3.411 -4.838 -13.398) 14.648 9.827 ( -3.515 -0.791 0.408) 3.626 9.915 ( 0.076 2.552 10.957) 11.250 9.997 ( -5.286 3.873 4.750) 8.093 10.196 ( -5.490 4.859 -6.338) 9.691 10.217 ( -2.697 -1.264 2.636) 3.977 10.339 ( 1.529 -3.527 3.923) 5.492 10.506 ( 0.904 -3.007 -2.923) 4.290 10.580 ( 3.152 0.755 -5.388) 6.287 10.743 ( 0.348 2.184 -2.114) 3.059 10.973 ( 2.387 -2.915 1.443) 4.035 11.224 ( -5.418 2.027 -4.111) 7.097 11.507 ( -1.174 -3.951 -7.725) 8.756 11.743 ( 7.429 3.739 3.707) 9.106 11.788 ( 6.294 -3.541 5.225) 8.913 11.985 ( 7.809 2.708 4.188) 9.266 12.185 ( 12.923 1.076 -1.997) 13.121 12.279 ( 12.719 -1.169 2.665) 13.047 12.373 ( 7.906 -1.746 7.072) 10.751 12.500 ( 8.491 0.784 -0.780) 8.563 12.617 ( 5.439 1.616 3.163) 6.496 13.062 ( -9.898 -1.518 3.902) 10.747 13.184 ( -5.271 3.228 -1.638) 6.394 13.417 ( -11.113 -1.217 -2.586) 11.475 13.440 ( -12.857 -1.029 -5.083) 13.864 14.191 ( -1.220 -0.469 0.676) 1.471 14.229 ( -2.285 0.191 0.600) 2.370 14.561 ( -5.769 0.275 -6.398) 8.619 14.592 ( -6.677 -0.997 -5.811) 8.907 14.737 ( 0.843 1.686 1.894) 2.672 14.856 ( -3.251 -1.270 2.369) 4.218 15.283 ( -5.783 0.289 -10.950) 12.386 15.296 ( -9.997 -0.025 -8.686) 13.243 19.267 ( 2.087 0.036 1.684) 2.682 19.298 ( -1.054 1.423 2.706) 3.234 19.368 ( -0.701 0.723 1.692) 1.969 19.512 ( -2.662 -1.841 -2.242) 3.938 19.692 ( 4.511 -3.226 4.148) 6.926 19.911 ( 2.792 4.950 -0.316) 5.692 20.225 ( 0.731 -1.842 7.205) 7.473 20.458 ( -18.112 0.097 9.401) 20.407 21.393 ( 10.003 0.628 -9.198) 13.604 21.536 ( -6.689 0.214 -5.738) 8.816 21.697 ( -7.627 -0.704 2.314) 8.001 21.906 ( -5.293 1.677 -3.579) 6.606 22.470 ( 1.262 -1.415 1.806) 2.619 22.655 ( -0.245 -0.423 9.558) 9.570 22.710 ( 12.180 -0.074 -7.452) 14.279 23.499 ( -1.218 -0.678 -14.375) 14.442======================= Grid point 180 (65/90) =======================q-point: ( 0.40 0.25 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.552 ( 4.116 1.478 0.195) 4.378 2.679 ( -1.793 5.121 -1.463) 5.619 2.712 ( 3.509 5.844 -1.777) 7.045 2.810 ( 0.836 3.042 -3.896) 5.013 3.100 ( 4.679 -8.185 3.466) 10.045 3.121 ( 1.143 -6.073 -0.386) 6.192 3.197 ( 9.525 -5.298 -0.571) 10.914 3.504 ( -2.836 -9.779 -6.003) 11.820 3.809 ( -3.087 6.379 7.153) 10.069 3.888 ( 5.210 3.816 -3.550) 7.369 4.076 ( -6.691 -1.436 4.984) 8.466 4.206 ( -5.963 -5.044 0.720) 7.843 4.329 ( -4.333 4.761 0.230) 6.441 4.445 ( 0.961 -1.416 0.348) 1.746 4.594 ( 2.301 5.420 3.802) 7.009 4.632 ( -1.888 6.011 0.997) 6.379 4.876 ( -0.703 2.308 -1.590) 2.890 4.977 ( -4.112 0.184 -3.816) 5.613 5.085 ( -3.673 3.126 1.284) 4.992 5.161 ( -0.746 -3.635 -2.186) 4.307 5.574 ( 1.660 -0.389 5.972) 6.211 5.803 ( 3.295 -2.421 3.950) 5.685 5.920 ( -0.291 -0.023 2.448) 2.465 6.053 ( 4.683 -4.299 3.973) 7.496 6.209 ( 10.635 -2.736 -1.724) 11.116 6.436 ( 4.771 -2.339 3.934) 6.611 6.566 ( -0.734 4.778 -5.520) 7.337 6.688 ( -8.402 1.066 -5.236) 9.957 7.387 ( 4.566 -3.278 6.478) 8.577 7.603 ( -3.610 -2.156 2.302) 4.794 7.716 ( -1.790 6.826 1.233) 7.164 7.884 ( -6.233 2.090 -3.782) 7.585 8.173 ( 2.670 1.739 2.517) 4.060 8.332 ( -5.424 -5.429 5.022) 9.171 8.983 ( -0.157 2.548 -19.033) 19.204 9.085 ( -3.822 -2.838 -15.740) 16.444 9.784 ( -0.426 -0.493 -2.292) 2.383 9.894 ( -2.942 -1.404 1.214) 3.479 9.957 ( 1.415 2.325 11.584) 11.900 10.069 ( -6.189 3.772 -4.310) 8.433 10.159 ( -2.704 -0.200 -0.608) 2.779 10.266 ( -7.427 -2.341 -10.293) 12.907 10.556 ( 4.499 -1.723 0.938) 4.908 10.645 ( 1.834 2.972 -3.254) 4.774 10.800 ( 4.475 1.489 3.399) 5.813 11.000 ( -1.701 -5.074 3.091) 6.180 11.177 ( 2.771 2.303 -4.518) 5.779 11.436 ( -5.554 -3.097 -7.732) 10.011 11.870 ( 5.814 -0.274 6.166) 8.479 11.922 ( 5.916 -0.139 5.496) 8.076 12.150 ( 8.873 3.250 5.585) 10.977 12.342 ( 3.221 1.402 7.102) 7.923 12.509 ( 5.229 -0.620 7.492) 9.157 12.562 ( 10.199 -1.825 -1.190) 10.430 12.670 ( 6.243 0.259 2.295) 6.657 12.695 ( 8.432 -0.846 2.037) 8.716 12.934 ( -2.209 3.530 2.324) 4.769 13.039 ( -8.815 2.353 1.938) 9.327 13.188 ( -11.730 -3.258 0.496) 12.184 13.224 ( -9.482 -1.419 3.734) 10.289 14.175 ( -2.180 -0.096 -1.189) 2.485 14.180 ( 0.995 -0.037 -3.154) 3.307 14.357 ( -11.570 -0.964 -3.467) 12.116 14.404 ( -9.616 0.417 -4.378) 10.574 14.830 ( 6.343 1.746 -3.118) 7.281 14.918 ( 6.047 -1.555 -4.012) 7.422 15.117 ( -8.046 1.213 -7.454) 11.035 15.172 ( -5.793 -0.870 -9.648) 11.287 19.295 ( 0.762 0.944 2.697) 2.957 19.315 ( 1.997 -0.480 1.135) 2.347 19.353 ( -0.284 0.749 1.235) 1.471 19.454 ( -3.187 -0.731 -1.291) 3.515 19.794 ( 5.940 -2.458 4.242) 7.702 19.995 ( 5.479 3.215 1.067) 6.442 20.148 ( -13.174 -0.548 8.693) 15.793 20.201 ( -3.271 -0.519 6.375) 7.184 21.452 ( -1.390 -0.141 -4.638) 4.844 21.555 ( -0.881 0.173 -2.427) 2.588 21.568 ( 1.757 0.514 -4.953) 5.280 21.798 ( -5.613 1.456 -5.226) 7.806 22.505 ( 2.339 -0.973 3.438) 4.271 22.622 ( -2.715 -0.651 7.890) 8.369 22.967 ( 13.319 -0.175 -12.093) 17.991 23.406 ( -7.700 -0.457 -14.629) 16.538======================= Grid point 181 (66/90) =======================q-point: (-0.50 0.25 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.622 ( -3.303 1.681 -2.281) 4.352 2.622 ( 3.303 1.681 -2.281) 4.352 2.783 ( -3.352 7.251 -6.201) 10.112 2.783 ( 3.352 7.251 -6.201) 10.112 3.143 ( -0.387 -9.596 1.341) 9.697 3.143 ( 0.387 -9.596 1.341) 9.697 3.386 ( -9.023 -9.163 -4.706) 13.694 3.386 ( 9.023 -9.163 -4.706) 13.694 3.854 ( -7.755 4.437 6.090) 10.812 3.854 ( 7.755 4.437 6.090) 10.812 4.062 ( -7.007 1.998 -4.256) 8.438 4.062 ( 7.007 1.998 -4.256) 8.438 4.382 ( -6.493 0.569 2.405) 6.948 4.382 ( 6.493 0.569 2.405) 6.948 4.625 ( -1.282 5.329 2.801) 6.155 4.625 ( 1.282 5.329 2.801) 6.155 4.883 ( -1.990 2.157 -0.629) 3.001 4.883 ( 1.990 2.157 -0.629) 3.001 5.115 ( -3.176 -0.985 1.009) 3.475 5.115 ( 3.176 -0.985 1.009) 3.475 5.673 ( -8.216 -1.422 7.846) 11.449 5.673 ( 8.216 -1.422 7.846) 11.449 6.059 ( -5.700 -2.914 0.583) 6.428 6.059 ( 5.700 -2.914 0.583) 6.428 6.426 ( -9.831 -1.126 -1.904) 10.077 6.426 ( 9.831 -1.126 -1.904) 10.077 6.547 ( -2.906 2.152 -2.427) 4.355 6.547 ( 2.906 2.152 -2.427) 4.355 7.495 ( -6.108 -4.541 3.418) 8.344 7.495 ( 6.108 -4.541 3.418) 8.344 7.766 ( -5.206 5.364 -1.272) 7.582 7.766 ( 5.206 5.364 -1.272) 7.582 8.241 ( -4.025 -1.379 3.316) 5.395 8.241 ( 4.025 -1.379 3.316) 5.395 9.014 ( -3.038 0.688 -17.417) 17.693 9.014 ( 3.038 0.688 -17.417) 17.693 9.821 ( -3.846 -1.944 -3.283) 5.418 9.821 ( 3.846 -1.944 -3.283) 5.418 9.994 ( -1.976 2.059 7.461) 7.988 9.994 ( 1.976 2.059 7.461) 7.988 10.149 ( -2.896 -0.484 -9.328) 9.779 10.149 ( 2.896 -0.484 -9.328) 9.779 10.633 ( -2.724 2.353 -0.677) 3.662 10.633 ( 2.724 2.353 -0.677) 3.662 10.909 ( -6.045 -2.927 3.902) 7.768 10.909 ( 6.045 -2.927 3.902) 7.768 11.302 ( -7.690 -0.501 -6.224) 9.905 11.302 ( 7.690 -0.501 -6.224) 9.905 11.961 ( -2.282 -0.560 6.099) 6.536 11.961 ( 2.282 -0.560 6.099) 6.536 12.307 ( -6.033 3.164 7.583) 10.194 12.307 ( 6.033 3.164 7.583) 10.194 12.586 ( -3.566 -0.942 6.320) 7.318 12.586 ( 3.566 -0.942 6.320) 7.318 12.801 ( -8.066 0.293 -2.245) 8.377 12.801 ( 8.066 0.293 -2.245) 8.377 13.001 ( -7.380 -0.764 2.760) 7.917 13.001 ( 7.380 -0.764 2.760) 7.917 13.011 ( -5.140 -0.243 6.174) 8.038 13.011 ( 5.140 -0.243 6.174) 8.038 14.189 ( -4.564 -0.259 -3.308) 5.643 14.189 ( 4.564 -0.259 -3.308) 5.643 14.248 ( -5.941 0.059 -4.809) 7.643 14.248 ( 5.941 0.059 -4.809) 7.643 14.959 ( -6.277 1.035 -5.285) 8.270 14.959 ( 6.277 1.035 -5.285) 8.270 15.055 ( -5.638 -0.850 -7.071) 9.083 15.055 ( 5.638 -0.850 -7.071) 9.083 19.315 ( -1.103 0.122 2.152) 2.421 19.315 ( 1.103 0.122 2.152) 2.421 19.390 ( -3.147 0.144 -0.341) 3.169 19.390 ( 3.147 0.144 -0.341) 3.169 19.935 ( -8.777 -1.348 6.177) 10.817 19.935 ( 8.777 -1.348 6.177) 10.817 20.110 ( -5.710 1.130 3.548) 6.817 20.110 ( 5.710 1.130 3.548) 6.817 21.469 ( -2.972 -0.222 -1.602) 3.384 21.469 ( 2.972 -0.222 -1.602) 3.384 21.686 ( -5.833 1.260 -6.765) 9.020 21.686 ( 5.833 1.260 -6.765) 9.020 22.561 ( -3.213 -0.786 5.632) 6.532 22.561 ( 3.213 -0.786 5.632) 6.532 23.214 ( -11.489 -0.297 -14.136) 18.219 23.214 ( 11.489 -0.297 -14.136) 18.219======================= Grid point 187 (67/90) =======================q-point: ( 0.00 -0.50 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.227 ( 0.000 -7.075 20.669) 21.846 2.227 ( 0.000 7.075 20.669) 21.846 2.315 ( 0.000 -6.827 21.618) 22.670 2.315 ( 0.000 6.827 21.618) 22.670 3.116 ( 0.000 -0.841 -4.431) 4.510 3.116 ( 0.000 0.841 -4.431) 4.510 3.226 ( 0.000 -2.088 -1.528) 2.587 3.226 ( 0.000 2.088 -1.528) 2.587 3.969 ( 0.000 -8.044 19.283) 20.894 3.969 ( 0.000 8.044 19.283) 20.894 4.200 ( 0.000 -9.874 2.118) 10.099 4.200 ( 0.000 9.874 2.118) 10.099 4.539 ( 0.000 -2.842 3.209) 4.287 4.539 ( 0.000 2.842 3.209) 4.287 4.708 ( 0.000 -4.892 -4.884) 6.913 4.708 ( 0.000 4.892 -4.884) 6.913 5.044 ( 0.000 -2.700 -1.500) 3.089 5.044 ( 0.000 2.700 -1.500) 3.089 5.384 ( 0.000 -3.625 17.755) 18.121 5.384 ( 0.000 3.625 17.755) 18.121 5.526 ( 0.000 -2.769 -12.298) 12.606 5.526 ( 0.000 2.769 -12.298) 12.606 5.782 ( 0.000 -3.009 0.661) 3.081 5.782 ( 0.000 3.009 0.661) 3.081 6.193 ( 0.000 -5.708 -9.658) 11.219 6.193 ( 0.000 5.708 -9.658) 11.219 6.514 ( 0.000 -8.266 -8.137) 11.599 6.514 ( 0.000 8.266 -8.137) 11.599 7.693 ( 0.000 -0.612 5.309) 5.344 7.693 ( 0.000 0.612 5.309) 5.344 8.010 ( 0.000 -1.938 0.762) 2.083 8.010 ( 0.000 1.938 0.762) 2.083 8.481 ( 0.000 -12.458 11.279) 16.805 8.481 ( 0.000 12.458 11.279) 16.805 9.234 ( 0.000 -0.591 -9.568) 9.586 9.234 ( 0.000 0.591 -9.568) 9.586 10.138 ( 0.000 -0.948 10.508) 10.551 10.138 ( 0.000 0.948 10.508) 10.551 10.172 ( 0.000 -1.321 -1.109) 1.725 10.172 ( 0.000 1.321 -1.109) 1.725 10.321 ( 0.000 -1.183 -1.490) 1.903 10.321 ( 0.000 1.183 -1.490) 1.903 10.561 ( 0.000 -7.774 -2.352) 8.122 10.561 ( 0.000 7.774 -2.352) 8.122 10.899 ( 0.000 -4.550 -5.690) 7.285 10.899 ( 0.000 4.550 -5.690) 7.285 11.221 ( 0.000 -4.305 5.540) 7.017 11.221 ( 0.000 4.305 5.540) 7.017 11.446 ( 0.000 -1.966 0.958) 2.188 11.446 ( 0.000 1.966 0.958) 2.188 11.600 ( 0.000 -1.906 -3.442) 3.934 11.600 ( 0.000 1.906 -3.442) 3.934 12.003 ( 0.000 -7.501 4.959) 8.992 12.003 ( 0.000 7.501 4.959) 8.992 12.410 ( 0.000 -9.409 -7.926) 12.302 12.410 ( 0.000 9.409 -7.926) 12.302 13.434 ( 0.000 -6.217 -5.734) 8.458 13.434 ( 0.000 6.217 -5.734) 8.458 13.899 ( 0.000 -1.177 -15.813) 15.857 13.899 ( 0.000 1.177 -15.813) 15.857 14.128 ( 0.000 -3.514 2.132) 4.111 14.128 ( 0.000 3.514 2.132) 4.111 14.412 ( 0.000 -0.574 -3.715) 3.759 14.412 ( 0.000 0.574 -3.715) 3.759 15.330 ( 0.000 -4.379 2.520) 5.053 15.330 ( 0.000 4.379 2.520) 5.053 15.623 ( 0.000 -6.779 -6.248) 9.219 15.623 ( 0.000 6.779 -6.248) 9.219 19.299 ( 0.000 -5.399 3.355) 6.357 19.299 ( 0.000 5.399 3.355) 6.357 19.469 ( 0.000 -6.727 1.445) 6.880 19.469 ( 0.000 6.727 1.445) 6.880 19.899 ( 0.000 -3.976 -0.535) 4.012 19.899 ( 0.000 3.976 -0.535) 4.012 20.170 ( 0.000 -0.005 -5.644) 5.644 20.170 ( 0.000 0.005 -5.644) 5.644 21.966 ( 0.000 -0.036 4.159) 4.159 21.966 ( 0.000 0.036 4.159) 4.159 22.118 ( 0.000 -0.877 -0.634) 1.082 22.118 ( 0.000 0.877 -0.634) 1.082 22.416 ( 0.000 -1.456 6.212) 6.380 22.416 ( 0.000 1.456 6.212) 6.380 22.636 ( 0.000 -1.911 1.371) 2.352 22.636 ( 0.000 1.911 1.371) 2.352======================= Grid point 189 (68/90) =======================q-point: ( 0.10 -0.50 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.207 ( 2.594 -0.000 14.848) 15.073 2.319 ( 7.911 0.000 22.884) 24.212 2.360 ( 7.403 -0.000 21.041) 22.306 2.487 ( 9.077 -0.000 18.166) 20.308 3.005 ( -5.637 0.000 -8.565) 10.253 3.104 ( -4.622 0.000 2.402) 5.209 3.163 ( -0.874 0.000 -0.023) 0.874 3.331 ( 5.044 0.000 -5.231) 7.266 3.881 ( -2.254 0.000 14.596) 14.769 4.081 ( 1.663 0.000 13.261) 13.365 4.216 ( -1.093 0.000 0.170) 1.106 4.236 ( 7.220 -0.000 12.338) 14.295 4.439 ( -8.459 0.000 6.517) 10.679 4.517 ( -1.360 -0.000 -0.562) 1.471 4.675 ( -2.143 -0.000 -9.716) 9.950 4.724 ( -0.305 0.000 3.582) 3.595 4.992 ( -1.212 0.000 -2.660) 2.923 5.150 ( 6.171 0.000 -1.603) 6.376 5.245 ( -4.252 -0.000 10.001) 10.867 5.387 ( -6.886 0.000 -11.423) 13.338 5.540 ( 4.647 -0.000 12.635) 13.462 5.580 ( 0.102 0.000 -8.758) 8.759 5.812 ( -0.086 -0.000 1.657) 1.660 5.838 ( 3.693 0.000 -5.668) 6.765 6.073 ( 0.283 0.000 -2.299) 2.317 6.152 ( -9.984 0.000 -6.494) 11.910 6.456 ( 3.549 0.000 -11.818) 12.339 6.712 ( 8.354 0.000 -3.907) 9.222 7.537 ( -8.675 0.000 4.588) 9.813 7.766 ( 0.442 0.000 6.303) 6.319 7.950 ( -1.225 0.000 3.577) 3.781 8.087 ( 2.776 0.000 -3.186) 4.226 8.437 ( -3.410 0.000 10.266) 10.818 8.465 ( -2.831 -0.000 10.203) 10.589 9.184 ( -3.558 0.000 -13.499) 13.960 9.223 ( -2.385 0.000 -7.742) 8.101 10.003 ( -7.805 0.000 2.509) 8.198 10.079 ( -4.144 0.000 9.021) 9.927 10.191 ( -1.605 0.000 9.115) 9.256 10.205 ( 0.205 -0.000 0.198) 0.285 10.250 ( 4.331 0.000 1.986) 4.765 10.417 ( -4.623 -0.000 -1.266) 4.793 10.459 ( 1.392 0.000 -2.663) 3.004 10.636 ( -7.175 0.000 -1.848) 7.409 10.780 ( -0.099 0.000 0.987) 0.992 10.887 ( -2.427 -0.000 -9.449) 9.756 11.227 ( 10.397 0.000 -1.079) 10.453 11.446 ( 0.880 0.000 -5.903) 5.968 11.486 ( 8.717 -0.000 -0.640) 8.741 11.499 ( 4.787 0.000 5.564) 7.339 11.683 ( 7.293 0.000 -6.235) 9.595 11.713 ( 11.921 0.000 4.030) 12.584 11.923 ( -0.672 0.000 7.384) 7.414 12.097 ( 4.045 0.000 5.048) 6.469 12.389 ( 0.933 0.000 -5.763) 5.838 12.437 ( 0.267 -0.000 -7.727) 7.732 13.340 ( -5.598 0.000 -4.530) 7.201 13.422 ( -3.926 -0.000 -2.732) 4.783 13.832 ( -4.887 -0.000 -16.252) 16.971 13.843 ( -9.094 0.000 -14.383) 17.016 14.141 ( 1.009 0.000 4.033) 4.157 14.152 ( 4.823 0.000 1.595) 5.080 14.452 ( 4.021 0.000 -5.223) 6.592 14.483 ( 4.957 0.000 -4.904) 6.973 15.224 ( -11.146 -0.000 3.269) 11.615 15.226 ( -9.086 0.000 4.026) 9.938 15.549 ( -4.942 0.000 -7.073) 8.628 15.603 ( -4.385 0.000 -7.215) 8.443 19.266 ( -1.364 0.000 3.770) 4.009 19.332 ( 1.218 0.000 2.492) 2.774 19.450 ( -1.148 0.000 0.878) 1.445 19.483 ( 0.608 -0.000 1.057) 1.219 19.698 ( -8.978 0.000 0.916) 9.025 20.004 ( -3.997 0.000 -3.141) 5.083 20.031 ( 5.623 -0.000 3.341) 6.541 20.550 ( 20.911 0.000 -13.000) 24.622 21.616 ( -26.439 0.000 11.358) 28.776 21.950 ( -12.163 0.000 -1.035) 12.207 21.960 ( -4.726 -0.000 2.911) 5.550 22.101 ( -2.597 0.000 -1.249) 2.882 22.352 ( 2.004 0.000 3.580) 4.103 22.462 ( -0.912 0.000 1.244) 1.542 22.539 ( 5.889 -0.000 9.342) 11.043 23.107 ( 21.735 0.000 -6.633) 22.724======================= Grid point 191 (69/90) =======================q-point: ( 0.20 -0.50 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.338 ( 9.845 0.000 11.236) 14.939 2.524 ( 11.582 0.000 16.761) 20.373 2.549 ( 11.053 -0.000 14.828) 18.494 2.597 ( 2.657 -0.000 15.159) 15.390 2.932 ( -1.737 0.000 -7.903) 8.092 3.019 ( -3.796 0.000 1.920) 4.254 3.149 ( -0.734 0.000 -1.847) 1.987 3.417 ( 3.423 0.000 -8.721) 9.369 3.861 ( 0.362 -0.000 14.100) 14.104 4.082 ( -1.645 0.000 7.596) 7.772 4.145 ( -5.466 -0.000 1.125) 5.580 4.257 ( -7.116 0.000 8.654) 11.205 4.393 ( 6.075 0.000 14.606) 15.819 4.532 ( 2.548 -0.000 -0.148) 2.553 4.624 ( -2.967 -0.000 -11.429) 11.808 4.679 ( -3.960 0.000 2.631) 4.754 4.985 ( 0.153 0.000 -2.319) 2.324 5.208 ( -1.047 0.000 0.642) 1.229 5.218 ( -4.695 0.000 -8.877) 10.042 5.273 ( -0.593 0.000 -2.638) 2.704 5.548 ( -2.625 0.000 -0.512) 2.674 5.625 ( 4.278 0.000 1.701) 4.604 5.773 ( 1.219 0.000 -3.598) 3.799 5.840 ( -3.472 0.000 -9.907) 10.498 6.032 ( -0.129 0.000 -1.618) 1.623 6.195 ( 7.163 0.000 12.650) 14.537 6.523 ( 3.079 0.000 -11.653) 12.052 6.823 ( 2.927 0.000 -0.879) 3.056 7.386 ( -5.817 0.000 4.723) 7.492 7.730 ( -3.187 0.000 5.872) 6.681 7.948 ( 0.105 0.000 4.088) 4.089 8.091 ( -2.918 -0.000 -5.986) 6.659 8.355 ( -4.437 0.000 7.910) 9.069 8.372 ( -6.162 -0.000 8.676) 10.641 9.108 ( -3.836 0.000 -18.269) 18.667 9.159 ( -3.697 0.000 -8.099) 8.903 9.890 ( -4.214 0.000 1.232) 4.390 10.004 ( -3.380 0.000 10.928) 11.438 10.171 ( -0.292 0.000 11.871) 11.875 10.236 ( 2.436 -0.000 1.386) 2.802 10.239 ( -8.037 0.000 2.883) 8.538 10.379 ( 0.246 -0.000 -3.660) 3.669 10.429 ( 1.355 -0.000 0.792) 1.570 10.512 ( -3.503 0.000 -8.523) 9.215 10.826 ( -2.983 0.000 -8.525) 9.032 10.856 ( 4.552 -0.000 4.693) 6.539 11.386 ( -6.531 -0.000 -12.003) 13.665 11.416 ( 6.355 0.000 -5.745) 8.567 11.620 ( 6.557 0.000 4.734) 8.087 11.637 ( 8.018 -0.000 6.294) 10.193 11.849 ( 8.665 0.000 -3.647) 9.401 11.957 ( 12.203 0.000 -3.045) 12.577 12.037 ( 10.457 0.000 10.437) 14.774 12.186 ( 6.005 0.000 6.227) 8.650 12.436 ( 0.978 0.000 -4.229) 4.340 12.477 ( 7.824 -0.000 -1.796) 8.027 13.261 ( -2.239 0.000 -1.996) 2.999 13.273 ( -11.060 -0.000 1.479) 11.158 13.631 ( -11.206 0.000 -10.567) 15.402 13.677 ( -10.784 0.000 -11.595) 15.834 14.179 ( 1.844 0.000 3.049) 3.564 14.236 ( 2.379 0.000 0.626) 2.460 14.540 ( 4.364 0.000 -7.056) 8.296 14.576 ( 4.319 0.000 -6.386) 7.709 14.949 ( -15.010 0.000 5.488) 15.982 15.010 ( -11.830 0.000 4.871) 12.793 15.432 ( -6.941 0.000 -9.587) 11.835 15.468 ( -8.617 0.000 -8.506) 12.108 19.251 ( 0.015 0.000 3.230) 3.230 19.336 ( -0.819 0.000 2.642) 2.766 19.423 ( -1.653 0.000 0.223) 1.668 19.486 ( -0.338 -0.000 -0.814) 0.882 19.610 ( -0.013 0.000 4.056) 4.056 19.962 ( -0.700 0.000 -3.411) 3.483 20.132 ( 4.530 -0.000 7.421) 8.695 20.787 ( -6.367 0.000 -4.751) 7.944 21.235 ( -1.594 0.000 3.760) 4.084 21.718 ( -10.974 0.000 -3.875) 11.638 21.836 ( -7.322 0.000 2.923) 7.884 22.029 ( -4.588 0.000 -2.829) 5.390 22.415 ( 2.502 0.000 2.033) 3.224 22.513 ( 6.729 0.000 -2.245) 7.094 22.629 ( 2.890 0.000 10.637) 11.023 23.414 ( 9.387 0.000 -11.719) 15.015======================= Grid point 193 (70/90) =======================q-point: ( 0.30 -0.50 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.554 ( 11.301 0.000 7.496) 13.561 2.591 ( 0.205 -0.000 5.279) 5.283 2.754 ( 8.021 0.000 7.760) 11.160 2.767 ( 8.913 -0.000 7.805) 11.847 2.918 ( 0.598 -0.000 -5.015) 5.050 2.960 ( -1.373 0.000 1.751) 2.225 3.137 ( 0.369 -0.000 -3.958) 3.975 3.444 ( -1.507 0.000 -8.748) 8.877 3.889 ( 1.255 0.000 14.920) 14.972 3.976 ( -5.841 0.000 4.832) 7.580 4.051 ( -2.409 0.000 2.020) 3.144 4.249 ( 3.026 0.000 2.462) 3.901 4.382 ( -6.727 0.000 11.469) 13.297 4.532 ( -4.991 -0.000 -7.234) 8.788 4.605 ( 2.646 0.000 -3.547) 4.425 4.660 ( 3.143 0.000 1.981) 3.716 4.974 ( -2.115 0.000 -2.886) 3.578 5.097 ( -5.479 0.000 -7.174) 9.027 5.153 ( -4.112 -0.000 -5.775) 7.089 5.216 ( -5.404 0.000 -1.001) 5.496 5.514 ( -0.081 -0.000 7.073) 7.073 5.752 ( 8.433 -0.000 -0.619) 8.456 5.814 ( 1.888 0.000 -6.100) 6.386 5.867 ( 4.809 0.000 0.282) 4.817 6.090 ( 5.259 0.000 1.137) 5.381 6.287 ( 3.426 0.000 12.832) 13.281 6.584 ( 2.882 0.000 -9.587) 10.011 6.826 ( -2.801 0.000 -1.544) 3.199 7.327 ( -0.363 0.000 5.401) 5.414 7.658 ( -4.175 0.000 4.079) 5.837 7.932 ( -1.872 0.000 2.073) 2.793 7.974 ( -7.882 -0.000 -6.108) 9.971 8.256 ( -4.805 0.000 8.209) 9.512 8.284 ( -2.621 -0.000 5.122) 5.754 9.047 ( -2.196 -0.000 -21.329) 21.442 9.088 ( -3.235 0.000 -10.836) 11.308 9.818 ( -3.189 0.000 -0.853) 3.301 9.947 ( -2.566 0.000 11.760) 12.037 10.077 ( -6.925 0.000 2.614) 7.402 10.149 ( -2.176 -0.000 11.655) 11.857 10.294 ( 0.270 -0.000 -3.988) 3.997 10.348 ( -7.206 -0.000 -9.829) 12.187 10.393 ( 2.687 0.000 -3.202) 4.180 10.576 ( 6.101 0.000 -3.948) 7.267 10.819 ( 2.934 -0.000 -2.145) 3.635 10.912 ( 0.698 0.000 6.163) 6.203 11.249 ( -5.973 0.000 -8.053) 10.026 11.459 ( -1.406 0.000 -7.575) 7.704 11.736 ( 5.596 0.000 6.597) 8.651 11.801 ( 8.317 0.000 4.064) 9.256 12.008 ( 8.158 0.000 1.550) 8.304 12.208 ( 10.633 0.000 2.768) 10.988 12.266 ( 14.881 0.000 2.225) 15.047 12.339 ( 8.841 0.000 4.971) 10.143 12.517 ( 7.134 0.000 -0.335) 7.142 12.635 ( 5.661 0.000 3.572) 6.694 13.044 ( -9.529 -0.000 4.092) 10.370 13.229 ( -2.231 0.000 -2.207) 3.138 13.397 ( -13.264 0.000 -7.551) 15.263 13.426 ( -14.054 0.000 -0.781) 14.075 14.185 ( -0.893 0.000 0.232) 0.922 14.232 ( -2.464 0.000 1.051) 2.679 14.569 ( -3.895 -0.000 -6.833) 7.865 14.574 ( -9.261 0.000 -5.136) 10.590 14.763 ( 1.306 0.000 1.837) 2.254 14.835 ( -3.061 0.000 2.532) 3.972 15.288 ( -7.424 0.000 -10.524) 12.879 15.295 ( -8.421 0.000 -9.480) 12.680 19.268 ( 1.633 0.000 2.015) 2.593 19.316 ( -0.755 0.000 3.235) 3.322 19.389 ( -1.671 0.000 0.105) 1.674 19.473 ( -1.102 -0.000 -0.836) 1.383 19.661 ( 4.312 0.000 4.300) 6.090 19.973 ( 1.939 0.000 -2.909) 3.496 20.196 ( 1.658 -0.000 9.282) 9.429 20.460 ( -18.520 0.000 9.619) 20.870 21.402 ( 10.069 0.000 -9.743) 14.011 21.540 ( -6.598 0.000 -5.870) 8.831 21.688 ( -7.443 0.000 2.501) 7.852 21.929 ( -5.478 0.000 -4.541) 7.115 22.451 ( 1.703 0.000 2.312) 2.872 22.650 ( -0.604 0.000 10.095) 10.113 22.709 ( 12.263 0.000 -7.721) 14.491 23.490 ( -1.035 0.000 -13.619) 13.658======================= Grid point 195 (71/90) =======================q-point: ( 0.40 -0.50 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.613 ( 1.920 -0.000 -0.825) 2.089 2.749 ( 5.901 0.000 4.489) 7.414 2.770 ( -2.157 0.000 -1.557) 2.660 2.845 ( 1.819 0.000 -7.664) 7.877 2.989 ( 2.515 0.000 5.358) 5.919 3.014 ( 6.585 0.000 -3.121) 7.287 3.187 ( 3.672 -0.000 -3.552) 5.109 3.344 ( -7.741 0.000 -4.610) 9.009 3.882 ( -0.269 0.000 11.655) 11.658 3.927 ( 0.043 0.000 2.775) 2.775 4.073 ( 2.148 -0.000 2.087) 2.995 4.152 ( -8.365 0.000 -2.239) 8.659 4.388 ( 3.771 -0.000 4.822) 6.121 4.421 ( -4.484 0.000 -5.473) 7.076 4.654 ( 2.081 0.000 -1.312) 2.461 4.706 ( 0.009 0.000 4.218) 4.218 4.912 ( -2.237 -0.000 -1.619) 2.761 5.000 ( -4.823 0.000 -4.418) 6.541 5.098 ( -1.096 -0.000 -2.044) 2.319 5.128 ( -2.702 -0.000 2.276) 3.533 5.543 ( 2.968 -0.000 7.900) 8.439 5.809 ( -6.022 -0.000 6.453) 8.826 5.921 ( 8.112 0.000 -4.210) 9.139 5.951 ( 6.317 0.000 2.435) 6.771 6.217 ( 7.611 0.000 0.929) 7.668 6.397 ( 7.468 0.000 4.430) 8.683 6.615 ( -0.238 0.000 -5.598) 5.603 6.701 ( -9.977 0.000 -5.499) 11.393 7.356 ( 3.058 0.000 5.822) 6.576 7.561 ( -5.730 0.000 3.192) 6.559 7.847 ( -3.860 -0.000 -4.821) 6.176 7.880 ( -3.078 0.000 -1.379) 3.373 8.205 ( -0.386 0.000 7.552) 7.562 8.247 ( -1.375 -0.000 3.814) 4.055 9.023 ( -0.407 -0.000 -21.065) 21.069 9.040 ( -1.590 0.000 -14.222) 14.310 9.776 ( -0.705 0.000 -2.769) 2.857 9.882 ( -4.472 0.000 2.267) 5.014 9.994 ( -1.116 0.000 10.029) 10.091 10.089 ( -3.831 0.000 11.371) 11.999 10.206 ( -5.634 -0.000 -14.303) 15.373 10.210 ( -6.015 0.000 -12.873) 14.209 10.524 ( 8.316 0.000 4.624) 9.515 10.676 ( 3.362 0.000 -4.822) 5.878 10.881 ( 1.227 -0.000 -0.359) 1.279 10.889 ( -2.385 0.000 6.622) 7.038 11.202 ( 2.002 0.000 -5.747) 6.086 11.396 ( -4.427 0.000 -7.112) 8.377 11.850 ( 6.017 0.000 8.589) 10.487 11.940 ( 4.919 0.000 3.838) 6.240 12.189 ( 9.931 0.000 5.849) 11.526 12.362 ( 5.025 0.000 9.522) 10.766 12.503 ( 7.304 0.000 2.452) 7.704 12.534 ( 4.153 0.000 0.863) 4.242 12.673 ( 7.318 0.000 1.296) 7.432 12.685 ( 8.948 0.000 3.894) 9.758 12.984 ( 1.383 0.000 4.068) 4.297 13.105 ( -9.913 0.000 1.332) 10.002 13.110 ( -15.306 -0.000 -2.924) 15.583 13.200 ( -8.433 0.000 5.040) 9.824 14.174 ( -2.311 0.000 -0.876) 2.472 14.179 ( 1.130 0.000 -3.375) 3.559 14.345 ( -11.178 0.000 -3.260) 11.644 14.408 ( -9.650 0.000 -4.446) 10.625 14.868 ( 6.680 -0.000 -3.879) 7.724 14.882 ( 5.323 0.000 -3.127) 6.173 15.146 ( -6.843 -0.000 -8.668) 11.044 15.147 ( -6.823 0.000 -8.810) 11.143 19.307 ( 1.807 0.000 0.964) 2.048 19.310 ( 0.111 -0.000 2.943) 2.945 19.365 ( -0.335 0.000 0.501) 0.603 19.441 ( -2.153 -0.000 -0.538) 2.219 19.766 ( 6.388 0.000 5.078) 8.160 20.035 ( 4.164 0.000 -0.791) 4.239 20.141 ( -13.407 0.000 9.139) 16.226 20.193 ( -2.408 0.000 7.325) 7.710 21.450 ( -1.399 0.000 -4.737) 4.939 21.555 ( -5.889 0.000 1.060) 5.984 21.578 ( 7.010 0.000 -8.927) 11.350 21.818 ( -5.762 0.000 -6.099) 8.390 22.491 ( 2.550 0.000 3.823) 4.596 22.613 ( -2.844 0.000 8.368) 8.838 22.965 ( 13.254 0.000 -12.093) 17.942 23.400 ( -7.577 0.000 -14.201) 16.096======================= Grid point 197 (72/90) =======================q-point: (-0.50 -0.50 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 81Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.669 ( -4.169 0.000 -1.456) 4.416 2.669 ( 4.169 0.000 -1.456) 4.416 2.861 ( -2.084 -0.000 -4.235) 4.720 2.861 ( 2.084 0.000 -4.235) 4.720 3.054 ( -3.495 0.000 -3.053) 4.641 3.054 ( 3.495 0.000 -3.053) 4.641 3.230 ( -1.931 0.000 -2.597) 3.236 3.230 ( 1.931 0.000 -2.597) 3.236 3.914 ( -2.410 0.000 7.521) 7.898 3.914 ( 2.410 0.000 7.521) 7.898 4.071 ( -0.483 0.000 -2.936) 2.976 4.071 ( 0.483 0.000 -2.936) 2.976 4.405 ( -1.416 0.000 0.554) 1.520 4.405 ( 1.416 0.000 0.554) 1.520 4.687 ( -1.267 0.000 1.444) 1.921 4.687 ( 1.267 -0.000 1.444) 1.921 4.919 ( -2.725 0.000 -1.565) 3.143 4.919 ( 2.725 0.000 -1.565) 3.143 5.099 ( -0.763 -0.000 2.792) 2.895 5.099 ( 0.763 0.000 2.792) 2.895 5.648 ( -7.885 -0.000 8.328) 11.469 5.648 ( 7.885 0.000 8.328) 11.469 6.024 ( -0.317 -0.000 1.253) 1.292 6.024 ( 0.317 0.000 1.253) 1.292 6.416 ( -11.400 0.000 -3.790) 12.013 6.416 ( 11.399 0.000 -3.790) 12.013 6.569 ( -3.182 0.000 -2.894) 4.301 6.569 ( 3.182 0.000 -2.894) 4.301 7.444 ( -5.685 0.000 4.559) 7.287 7.444 ( 5.685 0.000 4.559) 7.287 7.829 ( -1.509 0.000 -3.580) 3.885 7.829 ( 1.509 -0.000 -3.580) 3.885 8.221 ( -1.383 0.000 5.168) 5.350 8.221 ( 1.383 0.000 5.168) 5.350 9.023 ( -0.346 0.000 -17.912) 17.915 9.023 ( 0.346 0.000 -17.912) 17.915 9.800 ( -3.094 0.000 -2.859) 4.213 9.800 ( 3.094 0.000 -2.859) 4.213 10.015 ( -2.905 0.000 10.857) 11.239 10.015 ( 2.905 0.000 10.857) 11.239 10.146 ( -0.032 0.000 -12.889) 12.889 10.146 ( 0.032 0.000 -12.889) 12.889 10.666 ( -4.917 0.000 0.933) 5.005 10.666 ( 4.917 0.000 0.933) 5.005 10.868 ( -0.980 0.000 1.965) 2.195 10.868 ( 0.980 0.000 1.964) 2.195 11.294 ( -5.777 0.000 -5.951) 8.294 11.294 ( 5.777 0.000 -5.951) 8.294 11.954 ( -3.486 0.000 6.738) 7.587 11.954 ( 3.486 0.000 6.738) 7.587 12.351 ( -5.460 -0.000 9.982) 11.378 12.351 ( 5.460 0.000 9.982) 11.378 12.571 ( -2.004 0.000 2.843) 3.478 12.571 ( 2.004 -0.000 2.843) 3.478 12.804 ( -8.294 0.000 -2.131) 8.563 12.804 ( 8.294 0.000 -2.131) 8.563 12.991 ( -7.587 0.000 2.885) 8.117 12.991 ( 7.587 0.000 2.885) 8.117 13.008 ( -4.759 0.000 6.665) 8.190 13.008 ( 4.759 0.000 6.665) 8.190 14.186 ( -4.361 0.000 -3.190) 5.403 14.186 ( 4.361 0.000 -3.190) 5.403 14.248 ( -6.037 0.000 -4.850) 7.744 14.248 ( 6.037 0.000 -4.850) 7.744 14.976 ( -0.225 -0.000 -5.950) 5.955 14.976 ( 0.225 -0.000 -5.950) 5.955 15.041 ( -0.080 0.000 -6.549) 6.549 15.041 ( 0.080 0.000 -6.549) 6.549 19.317 ( -0.384 0.000 1.856) 1.896 19.317 ( 0.384 0.000 1.856) 1.896 19.392 ( -2.536 0.000 -0.110) 2.539 19.392 ( 2.536 0.000 -0.110) 2.539 19.918 ( -9.364 0.000 6.942) 11.657 19.918 ( 9.364 0.000 6.942) 11.657 20.124 ( -4.420 0.000 3.063) 5.378 20.124 ( 4.420 0.000 3.063) 5.378 21.466 ( -2.889 0.000 -1.611) 3.308 21.466 ( 2.889 0.000 -1.611) 3.308 21.703 ( -5.977 0.000 -7.486) 9.579 21.703 ( 5.977 0.000 -7.486) 9.579 22.550 ( -3.320 0.000 6.064) 6.913 22.550 ( 3.320 0.000 6.064) 6.913 23.210 ( -11.394 0.000 -13.948) 18.011 23.210 ( 11.394 0.000 -13.948) 18.011======================= Grid point 220 (73/90) =======================q-point: ( 0.00 0.00 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.346 ( 0.000 0.000 21.063) 21.063 2.489 ( 0.000 0.000 24.515) 24.515 2.739 ( 0.000 0.000 -16.583) 16.583 2.872 ( 0.000 0.000 -1.715) 1.715 3.010 ( 0.000 0.000 -6.230) 6.230 3.097 ( 0.000 0.000 7.303) 7.303 3.112 ( 0.000 0.000 -5.135) 5.135 3.140 ( 0.000 0.000 3.809) 3.809 4.057 ( 0.000 0.000 13.101) 13.101 4.198 ( 0.000 0.000 3.067) 3.067 4.267 ( 0.000 0.000 3.890) 3.890 4.267 ( 0.000 0.000 -1.527) 1.527 4.608 ( 0.000 0.000 -5.609) 5.609 4.625 ( 0.000 0.000 2.295) 2.295 4.625 ( 0.000 0.000 -2.610) 2.610 4.646 ( 0.000 0.000 -4.554) 4.554 4.987 ( 0.000 0.000 -1.052) 1.052 4.996 ( 0.000 0.000 -3.076) 3.076 5.312 ( 0.000 0.000 10.230) 10.230 5.388 ( 0.000 0.000 2.752) 2.752 5.666 ( 0.000 0.000 1.716) 1.716 5.702 ( 0.000 0.000 -4.954) 4.954 5.951 ( 0.000 0.000 4.395) 4.395 5.983 ( 0.000 0.000 14.294) 14.294 6.001 ( 0.000 0.000 3.591) 3.591 6.112 ( 0.000 0.000 -3.641) 3.641 6.152 ( 0.000 0.000 -5.613) 5.613 6.421 ( 0.000 0.000 -22.808) 22.808 7.835 ( 0.000 0.000 2.523) 2.523 7.881 ( 0.000 0.000 -1.589) 1.589 7.887 ( 0.000 0.000 2.645) 2.645 7.900 ( 0.000 0.000 3.933) 3.933 8.418 ( 0.000 0.000 18.836) 18.836 8.852 ( 0.000 0.000 -20.825) 20.825 8.984 ( 0.000 0.000 7.203) 7.203 9.125 ( 0.000 0.000 -6.731) 6.731 10.039 ( 0.000 0.000 1.413) 1.413 10.096 ( 0.000 0.000 -4.099) 4.099 10.126 ( 0.000 0.000 9.969) 9.969 10.311 ( 0.000 0.000 -7.422) 7.422 10.337 ( 0.000 0.000 2.161) 2.161 10.355 ( 0.000 0.000 -0.489) 0.489 10.553 ( 0.000 0.000 12.470) 12.470 10.794 ( 0.000 0.000 -10.049) 10.049 10.987 ( 0.000 0.000 6.409) 6.409 10.995 ( 0.000 0.000 8.540) 8.540 11.151 ( 0.000 0.000 -5.515) 5.515 11.231 ( 0.000 0.000 -11.318) 11.318 11.325 ( 0.000 0.000 5.330) 5.330 11.497 ( 0.000 0.000 -7.494) 7.494 11.569 ( 0.000 0.000 1.379) 1.379 11.577 ( 0.000 0.000 -0.360) 0.360 11.859 ( 0.000 0.000 4.934) 4.934 11.952 ( 0.000 0.000 -4.574) 4.574 12.375 ( 0.000 0.000 6.956) 6.956 12.516 ( 0.000 0.000 -6.981) 6.981 13.291 ( 0.000 0.000 7.658) 7.658 13.501 ( 0.000 0.000 -12.987) 12.987 13.507 ( 0.000 0.000 2.616) 2.616 13.661 ( 0.000 0.000 -11.357) 11.357 14.174 ( 0.000 0.000 5.692) 5.692 14.283 ( 0.000 0.000 3.135) 3.135 14.296 ( 0.000 0.000 -5.667) 5.667 14.361 ( 0.000 0.000 -3.891) 3.891 15.245 ( 0.000 0.000 2.279) 2.279 15.315 ( 0.000 0.000 -4.358) 4.358 15.528 ( 0.000 0.000 4.455) 4.455 15.640 ( 0.000 0.000 -6.514) 6.514 19.237 ( 0.000 0.000 3.769) 3.769 19.307 ( 0.000 0.000 -2.610) 2.610 19.540 ( 0.000 0.000 1.349) 1.349 19.575 ( 0.000 0.000 -2.129) 2.129 19.936 ( 0.000 0.000 5.933) 5.933 19.989 ( 0.000 0.000 0.379) 0.379 20.038 ( 0.000 0.000 -3.617) 3.617 20.042 ( 0.000 0.000 -4.104) 4.104 22.038 ( 0.000 0.000 0.636) 0.636 22.042 ( 0.000 0.000 0.240) 0.240 22.058 ( 0.000 0.000 2.423) 2.423 22.092 ( 0.000 0.000 -1.021) 1.021 22.497 ( 0.000 0.000 7.318) 7.318 22.590 ( 0.000 0.000 2.967) 2.967 22.608 ( 0.000 0.000 1.268) 1.268 22.653 ( 0.000 0.000 -7.535) 7.535======================= Grid point 221 (74/90) =======================q-point: ( 0.10 0.00 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.390 ( 4.193 0.000 17.684) 18.174 2.535 ( 4.178 0.000 21.453) 21.856 2.733 ( -0.561 0.000 -12.019) 12.032 2.941 ( 5.461 0.000 4.637) 7.164 2.974 ( -1.982 0.000 -12.675) 12.829 3.076 ( -2.049 0.000 -3.172) 3.776 3.101 ( -0.013 0.000 6.410) 6.410 3.146 ( -0.141 0.000 2.337) 2.341 4.000 ( -5.014 0.000 10.423) 11.566 4.213 ( -4.897 0.000 1.995) 5.288 4.249 ( 4.164 0.000 4.308) 5.991 4.271 ( 0.160 0.000 -0.602) 0.623 4.526 ( -2.778 0.000 0.795) 2.890 4.569 ( 0.926 0.000 -6.383) 6.450 4.684 ( 0.602 0.000 -0.403) 0.725 4.747 ( 2.172 0.000 -2.709) 3.472 4.963 ( -0.908 0.000 1.169) 1.480 5.004 ( 0.936 0.000 -3.603) 3.723 5.210 ( -8.193 0.000 5.153) 9.679 5.246 ( -11.594 0.000 0.778) 11.620 5.737 ( 2.393 0.000 -1.377) 2.760 5.749 ( 5.859 0.000 3.230) 6.690 5.911 ( -5.315 0.000 9.777) 11.128 6.007 ( 0.592 0.000 4.668) 4.706 6.120 ( 8.755 0.000 -4.036) 9.641 6.147 ( 0.920 0.000 -5.023) 5.107 6.157 ( 5.744 0.000 1.503) 5.938 6.372 ( -1.855 0.000 -17.143) 17.243 7.760 ( -4.885 0.000 3.143) 5.809 7.804 ( -3.988 0.000 0.943) 4.098 7.939 ( 2.141 0.000 2.736) 3.474 7.961 ( 1.878 0.000 1.846) 2.634 8.372 ( -4.213 0.000 16.578) 17.105 8.792 ( -5.551 0.000 -21.359) 22.068 8.956 ( -3.066 0.000 7.518) 8.119 9.108 ( -2.013 0.000 -7.434) 7.702 10.026 ( -1.480 0.000 1.676) 2.236 10.063 ( -2.828 0.000 -2.349) 3.676 10.126 ( 0.367 0.000 8.482) 8.490 10.304 ( 0.064 0.000 -7.920) 7.920 10.336 ( -0.743 0.000 3.399) 3.480 10.366 ( -0.554 0.000 0.307) 0.633 10.545 ( -1.116 0.000 11.292) 11.347 10.750 ( -3.619 0.000 1.107) 3.785 10.819 ( -9.781 0.000 -1.753) 9.937 10.911 ( -4.074 0.000 -0.976) 4.190 11.246 ( 2.124 0.000 -5.026) 5.456 11.286 ( 4.147 0.000 -8.800) 9.728 11.412 ( 8.397 0.000 7.513) 11.267 11.574 ( 6.554 0.000 -7.341) 9.841 11.659 ( 8.185 0.000 1.202) 8.273 11.665 ( 7.913 0.000 0.705) 7.945 11.929 ( 7.119 0.000 4.059) 8.195 12.012 ( 6.065 0.000 -4.160) 7.355 12.372 ( 0.580 0.000 6.760) 6.785 12.495 ( -1.254 0.000 -5.550) 5.690 13.302 ( 0.994 0.000 6.351) 6.429 13.420 ( -5.568 0.000 -0.668) 5.608 13.519 ( -1.463 0.000 -7.453) 7.595 13.616 ( -5.264 0.000 -11.547) 12.691 14.212 ( 3.379 0.000 4.966) 6.007 14.252 ( 0.613 0.000 3.598) 3.650 14.363 ( 3.310 0.000 -4.586) 5.656 14.387 ( 2.528 0.000 -4.515) 5.174 15.176 ( -6.745 0.000 3.770) 7.727 15.272 ( -4.148 0.000 -5.070) 6.550 15.438 ( -8.886 0.000 4.254) 9.852 15.556 ( -8.168 0.000 -6.916) 10.703 19.244 ( 0.773 0.000 3.207) 3.299 19.303 ( -0.287 0.000 -2.273) 2.291 19.537 ( -0.374 0.000 0.501) 0.625 19.547 ( -2.841 0.000 -0.377) 2.866 19.818 ( -6.067 0.000 1.677) 6.294 19.844 ( -4.775 0.000 0.282) 4.784 20.175 ( 9.201 0.000 4.092) 10.070 20.309 ( 15.296 0.000 -8.335) 17.419 21.794 ( -19.687 0.000 6.255) 20.657 21.890 ( -14.207 0.000 -3.260) 14.576 22.023 ( -4.586 0.000 1.546) 4.840 22.043 ( -3.407 0.000 -0.363) 3.426 22.457 ( -1.759 0.000 1.653) 2.414 22.472 ( -0.433 0.000 0.320) 0.538 22.744 ( 8.720 0.000 9.236) 12.702 22.941 ( 14.629 0.000 -9.866) 17.645======================= Grid point 222 (75/90) =======================q-point: ( 0.20 0.00 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.485 ( 4.650 0.000 10.934) 11.881 2.613 ( 2.625 0.000 9.146) 9.515 2.715 ( -1.419 0.000 0.845) 1.651 2.877 ( -5.322 0.000 -2.407) 5.841 3.075 ( 2.887 0.000 0.233) 2.897 3.098 ( 0.407 0.000 4.667) 4.685 3.134 ( 11.239 0.000 -6.725) 13.097 3.145 ( 0.673 0.000 0.987) 1.195 3.872 ( -8.033 0.000 7.127) 10.739 4.076 ( -9.110 0.000 -7.105) 11.553 4.290 ( 2.204 0.000 5.746) 6.154 4.331 ( 3.726 0.000 2.841) 4.685 4.538 ( 3.628 0.000 5.968) 6.984 4.644 ( -1.817 0.000 1.149) 2.150 4.657 ( 5.631 0.000 -3.903) 6.852 4.726 ( -2.902 0.000 -0.531) 2.950 4.881 ( -13.108 0.000 -2.569) 13.357 4.894 ( -11.353 0.000 -0.630) 11.371 5.064 ( -2.124 0.000 1.372) 2.529 5.171 ( 2.916 0.000 -6.667) 7.277 5.723 ( -4.080 0.000 3.988) 5.705 5.797 ( 1.265 0.000 12.820) 12.882 5.847 ( -2.293 0.000 -5.101) 5.592 6.024 ( -0.509 0.000 -2.385) 2.439 6.143 ( 3.836 0.000 -5.065) 6.353 6.190 ( 5.842 0.000 -6.541) 8.770 6.419 ( 4.055 0.000 0.466) 4.081 6.426 ( 12.847 0.000 -0.093) 12.848 7.669 ( -4.075 0.000 5.383) 6.751 7.728 ( -3.996 0.000 2.908) 4.942 7.934 ( -2.872 0.000 1.592) 3.283 7.954 ( -2.447 0.000 -0.135) 2.451 8.274 ( -5.138 0.000 12.886) 13.873 8.665 ( -6.599 0.000 -21.989) 22.958 8.861 ( -6.505 0.000 8.013) 10.321 9.039 ( -4.891 0.000 -9.541) 10.721 9.985 ( -3.003 0.000 0.645) 3.071 9.996 ( -4.232 0.000 -0.571) 4.270 10.119 ( -1.112 0.000 8.716) 8.787 10.265 ( -5.715 0.000 -1.196) 5.838 10.320 ( -0.331 0.000 3.796) 3.811 10.357 ( 1.465 0.000 -3.087) 3.417 10.517 ( -1.033 0.000 3.734) 3.874 10.624 ( -9.509 0.000 -0.344) 9.516 10.729 ( 0.895 0.000 3.987) 4.086 10.889 ( 1.388 0.000 -5.125) 5.310 11.259 ( -0.290 0.000 0.268) 0.395 11.358 ( 2.491 0.000 -9.306) 9.633 11.585 ( 9.038 0.000 5.842) 10.762 11.734 ( 9.433 0.000 -8.047) 12.399 11.828 ( 8.060 0.000 1.837) 8.267 11.839 ( 9.575 0.000 1.414) 9.679 12.122 ( 11.731 0.000 2.702) 12.038 12.184 ( 11.287 0.000 -3.247) 11.744 12.431 ( 5.580 0.000 5.587) 7.896 12.509 ( 3.211 0.000 -2.352) 3.980 13.296 ( -6.857 0.000 3.810) 7.845 13.313 ( -1.163 0.000 4.984) 5.117 13.450 ( -5.194 0.000 -7.788) 9.361 13.456 ( -9.378 0.000 -10.258) 13.899 14.275 ( 2.105 0.000 4.691) 5.142 14.301 ( 2.855 0.000 6.001) 6.645 14.410 ( 1.305 0.000 -6.111) 6.248 14.448 ( 3.086 0.000 -6.229) 6.951 14.999 ( -10.406 0.000 7.037) 12.562 15.167 ( -6.083 0.000 -8.053) 10.092 15.202 ( -14.048 0.000 5.126) 14.954 15.349 ( -11.949 0.000 -7.978) 14.368 19.266 ( 1.394 0.000 2.071) 2.497 19.299 ( -0.025 0.000 -1.073) 1.073 19.478 ( -3.560 0.000 2.617) 4.419 19.519 ( -1.576 0.000 -1.622) 2.261 19.766 ( 0.011 0.000 1.148) 1.148 19.791 ( -0.285 0.000 -0.506) 0.580 20.341 ( 6.820 0.000 8.887) 11.202 20.559 ( 7.893 0.000 -11.511) 13.957 21.419 ( -15.090 0.000 9.933) 18.066 21.597 ( -13.773 0.000 -7.059) 15.477 21.909 ( -6.946 0.000 2.223) 7.294 21.949 ( -5.841 0.000 -1.636) 6.066 22.481 ( 1.262 0.000 -0.034) 1.262 22.484 ( 3.641 0.000 -0.438) 3.667 22.873 ( 3.966 0.000 12.690) 13.296 23.149 ( 6.267 0.000 -13.917) 15.263======================= Grid point 223 (76/90) =======================q-point: ( 0.30 0.00 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.547 ( 1.512 0.000 5.055) 5.276 2.622 ( -1.335 0.000 -1.221) 1.809 2.672 ( -2.945 0.000 5.128) 5.914 2.766 ( -5.905 0.000 -3.330) 6.780 3.129 ( 3.133 0.000 2.683) 4.124 3.153 ( 3.124 0.000 0.778) 3.219 3.231 ( 9.217 0.000 6.169) 11.090 3.380 ( 13.444 0.000 -7.445) 15.367 3.695 ( -9.182 0.000 3.823) 9.946 3.866 ( -11.882 0.000 -10.088) 15.586 4.346 ( 2.985 0.000 6.539) 7.188 4.390 ( 2.560 0.000 1.367) 2.903 4.501 ( -14.838 0.000 3.489) 15.242 4.541 ( -13.010 0.000 0.834) 13.037 4.624 ( -6.248 0.000 1.160) 6.355 4.683 ( 5.240 0.000 9.791) 11.105 4.746 ( 0.508 0.000 -6.508) 6.528 4.830 ( 8.377 0.000 -3.539) 9.094 5.082 ( 2.136 0.000 -1.295) 2.498 5.150 ( -5.914 0.000 -7.242) 9.350 5.658 ( -0.783 0.000 6.657) 6.703 5.783 ( -1.652 0.000 -3.585) 3.947 5.932 ( 11.124 0.000 7.485) 13.408 6.075 ( 6.833 0.000 -3.012) 7.467 6.220 ( 0.491 0.000 0.332) 0.592 6.296 ( 2.960 0.000 -5.988) 6.679 6.482 ( 2.914 0.000 5.977) 6.649 6.595 ( 3.893 0.000 -4.721) 6.119 7.608 ( -2.035 0.000 6.142) 6.470 7.653 ( -3.201 0.000 5.160) 6.072 7.836 ( -6.437 0.000 0.395) 6.449 7.873 ( -5.574 0.000 -4.234) 7.000 8.206 ( -0.917 0.000 11.162) 11.199 8.562 ( -3.281 0.000 -21.066) 21.320 8.712 ( -8.319 0.000 8.648) 12.000 8.925 ( -6.457 0.000 -12.330) 13.919 9.892 ( -5.938 0.000 0.396) 5.951 9.898 ( -5.013 0.000 -1.393) 5.203 10.109 ( -9.468 0.000 2.450) 9.780 10.125 ( 1.707 0.000 8.803) 8.967 10.263 ( -7.425 0.000 -1.045) 7.498 10.407 ( 2.968 0.000 -9.036) 9.511 10.466 ( -4.880 0.000 3.556) 6.038 10.521 ( 1.332 0.000 -1.195) 1.789 10.797 ( 5.615 0.000 8.291) 10.013 10.942 ( 3.854 0.000 -4.458) 5.893 11.235 ( -2.277 0.000 3.807) 4.436 11.369 ( -1.518 0.000 -9.062) 9.188 11.769 ( 9.666 0.000 5.784) 11.264 11.920 ( 9.205 0.000 -6.957) 11.539 11.978 ( 7.534 0.000 4.805) 8.936 12.059 ( 12.756 0.000 -3.506) 13.229 12.362 ( 12.221 0.000 4.193) 12.920 12.438 ( 13.956 0.000 -2.581) 14.193 12.561 ( 6.641 0.000 4.254) 7.887 12.607 ( 5.913 0.000 -0.450) 5.931 13.162 ( -11.543 0.000 3.119) 11.957 13.163 ( -6.458 0.000 2.859) 7.062 13.336 ( -5.825 0.000 -3.105) 6.600 13.371 ( -1.260 0.000 -5.331) 5.478 14.268 ( -2.973 0.000 4.415) 5.323 14.294 ( -4.398 0.000 7.103) 8.354 14.399 ( -3.504 0.000 -7.695) 8.456 14.454 ( -4.481 0.000 -7.891) 9.074 14.832 ( -4.571 0.000 7.813) 9.052 14.949 ( -8.823 0.000 2.790) 9.253 15.063 ( -4.414 0.000 -7.424) 8.637 15.129 ( -9.590 0.000 -7.607) 12.241 19.297 ( 1.744 0.000 1.119) 2.072 19.306 ( 0.764 0.000 0.413) 0.869 19.420 ( -2.340 0.000 2.844) 3.683 19.477 ( -2.582 0.000 -2.623) 3.681 19.800 ( 3.332 0.000 1.632) 3.710 19.833 ( 4.397 0.000 -0.968) 4.502 20.405 ( -1.039 0.000 8.395) 8.459 20.535 ( -9.638 0.000 -2.331) 9.916 21.302 ( 2.581 0.000 1.371) 2.923 21.401 ( -5.352 0.000 -6.634) 8.524 21.761 ( -7.868 0.000 2.906) 8.388 21.823 ( -6.807 0.000 -3.042) 7.455 22.523 ( 3.067 0.000 2.184) 3.765 22.589 ( 6.966 0.000 -4.407) 8.243 22.896 ( -1.463 0.000 13.091) 13.172 23.191 ( -1.693 0.000 -15.163) 15.258======================= Grid point 224 (77/90) =======================q-point: ( 0.40 0.00 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.560 ( 0.497 0.000 0.468) 0.682 2.584 ( -1.848 0.000 -1.468) 2.359 2.609 ( -3.056 0.000 0.302) 3.071 2.656 ( -4.907 0.000 -3.720) 6.158 3.220 ( 3.762 0.000 -0.537) 3.800 3.223 ( 6.480 0.000 -0.909) 6.544 3.383 ( 0.574 0.000 8.667) 8.686 3.596 ( -5.997 0.000 -11.596) 13.055 3.607 ( 5.588 0.000 1.768) 5.861 3.682 ( 7.838 0.000 -4.141) 8.865 4.176 ( -16.689 0.000 2.543) 16.881 4.232 ( -15.074 0.000 -1.965) 15.201 4.407 ( 2.631 0.000 4.264) 5.010 4.455 ( 4.543 0.000 -0.241) 4.549 4.549 ( -3.786 0.000 6.969) 7.931 4.717 ( -3.812 0.000 -3.666) 5.289 4.835 ( 6.714 0.000 7.375) 9.974 4.986 ( 6.992 0.000 -3.675) 7.899 5.020 ( -4.913 0.000 3.477) 6.018 5.122 ( 0.956 0.000 -5.168) 5.256 5.700 ( 5.175 0.000 7.097) 8.783 5.823 ( 6.580 0.000 -4.282) 7.851 6.085 ( -9.610 0.000 9.004) 13.169 6.173 ( 7.618 0.000 4.924) 9.071 6.276 ( -0.979 0.000 -7.712) 7.774 6.297 ( 10.687 0.000 -4.292) 11.516 6.530 ( 0.757 0.000 2.692) 2.796 6.590 ( -3.795 0.000 -3.415) 5.106 7.589 ( 0.067 0.000 4.211) 4.211 7.621 ( 0.171 0.000 2.729) 2.735 7.708 ( -6.054 0.000 0.526) 6.076 7.754 ( -5.936 0.000 -4.297) 7.328 8.249 ( 4.955 0.000 9.887) 11.059 8.545 ( -8.593 0.000 9.501) 12.810 8.554 ( 2.605 0.000 -18.380) 18.564 8.791 ( -7.145 0.000 -14.458) 16.127 9.793 ( -3.256 0.000 0.770) 3.346 9.829 ( -1.246 0.000 -3.882) 4.077 9.922 ( -8.811 0.000 0.410) 8.821 10.035 ( -10.444 0.000 -9.211) 13.925 10.215 ( 4.112 0.000 13.874) 14.470 10.396 ( -3.668 0.000 9.991) 10.643 10.465 ( 3.012 0.000 -9.503) 9.969 10.543 ( 0.203 0.000 -4.003) 4.008 10.927 ( 7.146 0.000 6.740) 9.823 11.042 ( 6.273 0.000 -4.154) 7.524 11.168 ( -4.502 0.000 5.020) 6.744 11.301 ( -5.169 0.000 -7.965) 9.495 11.957 ( 9.177 0.000 6.501) 11.246 12.102 ( 9.325 0.000 -5.447) 10.800 12.104 ( 4.172 0.000 7.659) 8.722 12.269 ( 6.131 0.000 -8.003) 10.082 12.589 ( 10.504 0.000 4.304) 11.352 12.651 ( 4.530 0.000 0.543) 4.562 12.703 ( 8.252 0.000 1.034) 8.316 12.715 ( 4.718 0.000 0.317) 4.728 12.989 ( -2.695 0.000 5.789) 6.385 13.057 ( -3.244 0.000 0.062) 3.244 13.232 ( -5.259 0.000 3.663) 6.409 13.313 ( -5.808 0.000 -1.713) 6.055 14.171 ( -5.540 0.000 2.710) 6.168 14.178 ( -5.041 0.000 2.257) 5.523 14.272 ( -10.999 0.000 -5.662) 12.371 14.274 ( -7.766 0.000 -6.208) 9.942 14.829 ( 2.712 0.000 3.964) 4.803 14.894 ( 1.407 0.000 -0.508) 1.496 14.984 ( -5.455 0.000 -4.223) 6.899 14.996 ( -2.812 0.000 -6.960) 7.507 19.327 ( 1.288 0.000 1.164) 1.736 19.334 ( 1.994 0.000 0.291) 2.015 19.383 ( -1.602 0.000 2.027) 2.583 19.425 ( -2.631 0.000 -1.943) 3.271 19.897 ( 6.635 0.000 3.250) 7.388 19.955 ( 7.746 0.000 -1.758) 7.943 20.293 ( -12.962 0.000 4.176) 13.618 20.306 ( -8.082 0.000 2.796) 8.552 21.384 ( 2.725 0.000 -1.487) 3.105 21.414 ( 6.986 0.000 -4.439) 8.277 21.609 ( -7.431 0.000 3.120) 8.059 21.687 ( -6.956 0.000 -4.271) 8.163 22.603 ( 5.083 0.000 5.443) 7.448 22.751 ( 9.235 0.000 -8.925) 12.843 22.828 ( -5.013 0.000 11.588) 12.626 23.101 ( -6.936 0.000 -14.526) 16.097======================= Grid point 225 (78/90) =======================q-point: (-0.50 0.00 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 81Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.570 ( -0.655 0.000 -1.432) 1.575 2.570 ( 0.655 0.000 -1.432) 1.575 2.585 ( -2.294 0.000 -2.742) 3.575 2.585 ( 2.294 0.000 -2.742) 3.575 3.304 ( -4.923 0.000 1.690) 5.205 3.304 ( 4.923 0.000 1.690) 5.205 3.386 ( -10.122 0.000 -5.853) 11.693 3.386 ( 10.122 0.000 -5.853) 11.693 3.856 ( -15.715 0.000 4.287) 16.289 3.856 ( 15.715 0.000 4.287) 16.289 3.946 ( -14.248 0.000 -3.881) 14.767 3.946 ( 14.248 0.000 -3.881) 14.767 4.471 ( -3.866 0.000 5.635) 6.834 4.471 ( 3.866 0.000 5.635) 6.834 4.581 ( -7.950 0.000 -3.456) 8.669 4.581 ( 7.950 0.000 -3.456) 8.669 4.946 ( -4.261 0.000 8.458) 9.470 4.946 ( 4.261 0.000 8.458) 9.470 5.094 ( -3.781 0.000 -4.253) 5.691 5.094 ( 3.781 0.000 -4.253) 5.691 5.864 ( -11.043 0.000 8.764) 14.098 5.864 ( 11.043 0.000 8.764) 14.098 6.024 ( -12.280 0.000 -6.219) 13.765 6.024 ( 12.280 0.000 -6.219) 13.765 6.456 ( -9.785 0.000 0.138) 9.786 6.456 ( 9.785 0.000 0.138) 9.786 6.477 ( -6.368 0.000 -0.865) 6.427 6.477 ( 6.368 0.000 -0.865) 6.427 7.617 ( -3.015 0.000 1.871) 3.548 7.617 ( 3.015 0.000 1.871) 3.548 7.659 ( -3.557 0.000 -1.734) 3.957 7.659 ( 3.557 0.000 -1.734) 3.957 8.380 ( -7.950 0.000 9.865) 12.669 8.380 ( 7.950 0.000 9.865) 12.669 8.652 ( -6.697 0.000 -15.934) 17.284 8.652 ( 6.697 0.000 -15.934) 17.284 9.794 ( -3.581 0.000 0.054) 3.581 9.794 ( 3.581 0.000 0.054) 3.581 9.869 ( -5.540 0.000 -7.074) 8.985 9.869 ( 5.540 0.000 -7.074) 8.985 10.309 ( -4.987 0.000 12.543) 13.498 10.309 ( 4.987 0.000 12.543) 13.498 10.520 ( -2.305 0.000 -7.078) 7.444 10.520 ( 2.305 0.000 -7.078) 7.444 11.061 ( -6.263 0.000 5.548) 8.367 11.061 ( 6.263 0.000 5.548) 8.367 11.177 ( -7.090 0.000 -5.890) 9.217 11.177 ( 7.090 0.000 -5.890) 9.217 12.102 ( -4.573 0.000 7.592) 8.862 12.102 ( 4.573 0.000 7.592) 8.862 12.262 ( -5.808 0.000 -6.193) 8.490 12.262 ( 5.808 0.000 -6.193) 8.490 12.718 ( -3.116 0.000 2.783) 4.178 12.718 ( 3.116 0.000 2.783) 4.178 12.737 ( -3.831 0.000 -0.544) 3.869 12.737 ( 3.831 0.000 -0.544) 3.869 13.103 ( -7.206 0.000 4.468) 8.478 13.103 ( 7.206 0.000 4.468) 8.478 13.130 ( -11.785 0.000 2.466) 12.040 13.130 ( 11.785 0.000 2.466) 12.040 14.133 ( -1.989 0.000 -1.673) 2.599 14.133 ( 1.989 0.000 -1.673) 2.599 14.150 ( -3.550 0.000 -3.458) 4.956 14.150 ( 3.550 0.000 -3.458) 4.956 14.897 ( -3.868 0.000 -0.030) 3.868 14.897 ( 3.868 0.000 -0.030) 3.868 14.942 ( -2.800 0.000 -4.263) 5.101 14.942 ( 2.800 0.000 -4.263) 5.101 19.354 ( -1.395 0.000 1.463) 2.021 19.354 ( 1.395 0.000 1.463) 2.021 19.376 ( -2.318 0.000 -0.757) 2.438 19.376 ( 2.318 0.000 -0.757) 2.438 20.062 ( -10.218 0.000 4.734) 11.261 20.062 ( 10.218 0.000 4.734) 11.261 20.127 ( -9.460 0.000 -1.002) 9.513 20.127 ( 9.460 0.000 -1.002) 9.513 21.475 ( -6.036 0.000 2.037) 6.370 21.475 ( 6.036 0.000 2.037) 6.370 21.551 ( -6.922 0.000 -5.027) 8.555 21.551 ( 6.922 0.000 -5.027) 8.555 22.716 ( -6.100 0.000 8.848) 10.747 22.716 ( 6.100 0.000 8.848) 10.747 22.937 ( -9.361 0.000 -12.462) 15.587 22.937 ( 9.361 0.000 -12.462) 15.587======================= Grid point 231 (79/90) =======================q-point: ( 0.00 0.25 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.422 ( 0.000 6.936 19.907) 21.080 2.572 ( 0.000 7.249 23.596) 24.685 2.788 ( 0.000 4.218 -14.138) 14.754 2.825 ( 0.000 -7.196 12.084) 14.065 2.975 ( 0.000 -8.179 12.369) 14.828 2.990 ( 0.000 1.008 -13.783) 13.820 3.075 ( 0.000 -3.030 -10.158) 10.601 3.157 ( 0.000 -0.963 -3.442) 3.574 4.109 ( 0.000 4.881 12.291) 13.225 4.229 ( 0.000 2.904 4.250) 5.148 4.299 ( 0.000 2.237 -1.529) 2.709 4.305 ( 0.000 4.013 6.998) 8.067 4.523 ( 0.000 -5.688 -5.963) 8.240 4.573 ( 0.000 -3.391 0.391) 3.414 4.625 ( 0.000 -2.348 -4.648) 5.208 4.627 ( 0.000 -4.004 -5.085) 6.472 5.008 ( 0.000 3.869 3.539) 5.244 5.112 ( 0.000 7.891 -5.802) 9.794 5.221 ( 0.000 -6.005 7.772) 9.822 5.337 ( 0.000 -2.819 -2.817) 3.985 5.722 ( 0.000 3.705 1.403) 3.962 5.795 ( 0.000 6.481 2.642) 6.999 5.899 ( 0.000 -4.097 12.145) 12.817 5.962 ( 0.000 -1.211 11.679) 11.742 5.967 ( 0.000 -3.120 5.657) 6.461 6.104 ( 0.000 -3.803 -7.514) 8.422 6.170 ( 0.000 4.212 -9.360) 10.264 6.376 ( 0.000 -3.879 -20.192) 20.562 7.821 ( 0.000 -0.712 4.461) 4.518 7.834 ( 0.000 -2.057 6.482) 6.801 7.914 ( 0.000 2.182 -4.349) 4.866 7.938 ( 0.000 1.221 -2.526) 2.805 8.530 ( 0.000 9.365 17.623) 19.957 8.908 ( 0.000 4.639 -17.651) 18.251 8.923 ( 0.000 -5.770 9.165) 10.830 9.097 ( 0.000 -2.674 -7.877) 8.318 10.090 ( 0.000 4.344 1.063) 4.472 10.142 ( 0.000 4.540 -3.779) 5.907 10.168 ( 0.000 3.193 7.735) 8.368 10.308 ( 0.000 -0.560 -5.215) 5.245 10.337 ( 0.000 0.381 3.804) 3.823 10.396 ( 0.000 3.151 -1.961) 3.711 10.465 ( 0.000 -6.936 11.848) 13.729 10.689 ( 0.000 -9.159 -8.731) 12.654 10.929 ( 0.000 -3.606 3.755) 5.206 10.938 ( 0.000 -4.297 8.759) 9.756 11.098 ( 0.000 -2.333 -9.226) 9.517 11.187 ( 0.000 -3.689 -12.610) 13.139 11.410 ( 0.000 5.809 7.083) 9.161 11.544 ( 0.000 2.621 -4.090) 4.858 11.550 ( 0.000 -1.181 3.042) 3.263 11.591 ( 0.000 0.366 -0.834) 0.910 11.947 ( 0.000 7.419 5.090) 8.997 12.051 ( 0.000 8.696 -5.554) 10.319 12.305 ( 0.000 -6.253 7.066) 9.435 12.444 ( 0.000 -6.454 -6.631) 9.253 13.334 ( 0.000 3.566 6.154) 7.113 13.483 ( 0.000 -2.261 2.954) 3.720 13.530 ( 0.000 2.512 -12.805) 13.049 13.644 ( 0.000 -1.656 -11.824) 11.939 14.183 ( 0.000 0.845 5.627) 5.690 14.257 ( 0.000 -2.093 3.891) 4.418 14.302 ( 0.000 0.583 -5.535) 5.565 14.347 ( 0.000 -1.157 -4.317) 4.469 15.290 ( 0.000 4.025 2.949) 4.990 15.372 ( 0.000 4.944 -4.921) 6.976 15.490 ( 0.000 -3.422 4.348) 5.534 15.600 ( 0.000 -3.688 -6.334) 7.329 19.276 ( 0.000 3.546 3.780) 5.182 19.345 ( 0.000 3.559 -2.518) 4.360 19.480 ( 0.000 -4.511 3.041) 5.440 19.550 ( 0.000 -3.302 -3.696) 4.956 19.928 ( 0.000 -0.039 6.622) 6.622 19.975 ( 0.000 -1.224 1.655) 2.059 20.044 ( 0.000 0.515 -4.483) 4.513 20.052 ( 0.000 0.520 -5.299) 5.325 22.034 ( 0.000 0.106 2.015) 2.018 22.050 ( 0.000 -0.515 2.947) 2.991 22.065 ( 0.000 1.438 -1.026) 1.766 22.097 ( 0.000 0.220 -1.644) 1.659 22.507 ( 0.000 0.917 6.647) 6.710 22.571 ( 0.000 -1.505 3.682) 3.977 22.610 ( 0.000 0.141 0.117) 0.183 22.640 ( 0.000 -1.048 -6.009) 6.100======================= Grid point 232 (80/90) =======================q-point: ( 0.10 0.25 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.436 ( 2.147 4.072 16.604) 17.230 2.618 ( 3.899 7.101 20.309) 21.865 2.753 ( -1.969 1.546 -10.637) 10.927 2.867 ( 2.142 -6.420 11.687) 13.505 2.986 ( 2.288 -4.875 6.319) 8.302 3.026 ( 1.953 1.332 -9.478) 9.768 3.066 ( -0.254 -1.216 -6.275) 6.397 3.160 ( -0.205 -0.450 -4.075) 4.105 4.050 ( -4.780 4.748 10.256) 12.271 4.219 ( -2.250 1.553 5.758) 6.374 4.312 ( 0.678 4.254 -4.778) 6.433 4.323 ( 2.658 4.260 4.463) 6.718 4.463 ( -4.610 -5.545 -0.103) 7.211 4.498 ( -1.729 -4.609 -4.563) 6.712 4.645 ( 1.201 -3.957 0.719) 4.198 4.730 ( 3.318 -2.381 -5.550) 6.891 5.010 ( 0.015 4.239 4.841) 6.435 5.101 ( 0.213 6.524 -3.738) 7.522 5.194 ( -4.267 -0.910 4.349) 6.160 5.264 ( -7.338 1.682 -2.622) 7.972 5.667 ( -3.263 -4.866 7.193) 9.278 5.729 ( 1.594 -1.329 -2.488) 3.240 5.819 ( -7.978 -5.634 4.635) 10.811 5.948 ( -3.552 -7.579 0.778) 8.406 6.053 ( -3.998 -1.833 -4.153) 6.049 6.151 ( 10.500 2.621 -1.698) 10.955 6.227 ( 8.584 2.523 3.624) 9.653 6.479 ( 7.905 6.085 -12.987) 16.376 7.715 ( -5.985 -1.903 8.296) 10.405 7.863 ( -2.232 2.473 -1.754) 3.764 7.912 ( 1.121 -0.615 -0.783) 1.499 7.960 ( 0.856 -0.677 -1.280) 1.682 8.481 ( -4.581 9.139 16.100) 19.071 8.843 ( -5.918 4.136 -17.532) 18.960 8.891 ( -3.380 -5.980 9.248) 11.520 9.077 ( -2.388 -2.850 -8.714) 9.474 10.056 ( -3.787 1.691 1.873) 4.551 10.099 ( -2.314 4.105 -1.688) 5.005 10.163 ( 0.269 3.051 6.847) 7.501 10.298 ( 0.439 0.475 -3.963) 4.015 10.366 ( -0.975 -0.245 2.148) 2.371 10.381 ( -0.871 2.507 -0.589) 2.718 10.466 ( -0.570 -5.592 9.314) 10.879 10.676 ( -3.368 -8.086 -9.827) 13.164 10.808 ( -7.077 1.796 10.329) 12.649 10.910 ( -0.544 -0.974 1.434) 1.816 11.154 ( 5.109 -5.443 -6.498) 9.897 11.202 ( 0.981 -5.092 -11.772) 12.863 11.520 ( 7.836 5.803 3.995) 10.537 11.580 ( 5.476 0.079 -0.427) 5.494 11.652 ( 7.553 -1.116 1.064) 7.708 11.689 ( 7.930 2.078 -2.279) 8.509 11.994 ( 5.448 5.751 5.781) 9.807 12.102 ( 5.387 7.598 -5.101) 10.619 12.316 ( 1.591 -5.003 6.714) 8.523 12.439 ( 0.057 -5.153 -5.521) 7.552 13.319 ( -1.241 1.344 5.487) 5.784 13.426 ( -4.714 0.312 1.403) 4.928 13.517 ( -2.066 0.044 -9.795) 10.011 13.599 ( -5.188 -1.446 -11.305) 12.523 14.218 ( 3.205 0.500 5.069) 6.018 14.252 ( 1.324 -0.030 4.651) 4.836 14.352 ( 3.109 -0.837 -4.999) 5.946 14.381 ( 3.206 -0.407 -5.115) 6.051 15.217 ( -7.276 3.563 4.127) 9.092 15.316 ( -5.379 3.681 -4.613) 7.985 15.405 ( -8.378 -2.834 3.544) 9.528 15.521 ( -7.649 -3.147 -6.897) 10.769 19.279 ( 0.291 3.076 3.367) 4.569 19.340 ( -0.460 3.376 -2.334) 4.130 19.470 ( -1.074 -4.373 2.805) 5.305 19.533 ( -1.593 -3.017 -3.324) 4.764 19.793 ( -5.733 -0.657 5.342) 7.864 19.887 ( -4.584 2.162 -3.349) 6.075 20.158 ( 9.665 -1.284 5.477) 11.183 20.313 ( 15.040 0.283 -9.136) 17.599 21.796 ( -19.544 0.177 6.490) 20.594 21.896 ( -14.471 0.509 -3.379) 14.869 22.020 ( -4.578 -0.176 2.136) 5.055 22.055 ( -3.642 0.880 -1.246) 3.948 22.439 ( -1.030 -1.261 2.375) 2.879 22.470 ( -1.466 -0.301 -0.473) 1.570 22.741 ( 9.070 -0.150 9.546) 13.168 22.940 ( 14.700 -0.098 -9.527) 17.518======================= Grid point 233 (81/90) =======================q-point: ( 0.20 0.25 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.511 ( 4.772 2.405 10.724) 11.981 2.678 ( 1.222 5.197 2.321) 5.821 2.745 ( 0.632 2.692 5.667) 6.306 2.860 ( -2.579 -2.320 3.462) 4.901 3.022 ( 1.627 -6.161 7.167) 9.590 3.045 ( 0.793 -1.089 -0.770) 1.552 3.119 ( 2.562 -1.524 -2.649) 3.988 3.170 ( 4.477 1.362 -8.393) 9.610 3.945 ( -5.861 6.772 7.222) 11.506 4.128 ( -7.071 4.369 -4.832) 9.615 4.318 ( 0.241 1.365 3.983) 4.218 4.382 ( 1.997 4.874 2.110) 5.675 4.426 ( 0.788 -9.339 4.021) 10.199 4.485 ( -0.311 -8.104 -1.294) 8.213 4.644 ( -0.122 -0.695 2.518) 2.615 4.745 ( -1.245 -1.458 -5.892) 6.196 4.961 ( -7.446 4.769 3.847) 9.643 5.023 ( -8.938 9.091 -2.113) 12.923 5.081 ( -2.787 1.728 1.952) 3.817 5.203 ( 1.060 2.170 -7.940) 8.299 5.661 ( -0.755 -7.258 8.644) 11.312 5.697 ( 0.540 -3.914 3.766) 5.458 5.784 ( -1.118 -5.325 -5.178) 7.511 5.851 ( 0.420 -12.003 -8.154) 14.517 6.078 ( 4.858 -0.766 5.863) 7.652 6.256 ( 4.468 1.847 -10.402) 11.471 6.440 ( 8.456 4.170 10.695) 14.258 6.626 ( 6.009 9.339 -6.758) 13.000 7.607 ( -4.682 -2.874 11.044) 12.335 7.800 ( -3.899 3.707 -3.262) 6.292 7.899 ( -2.732 -2.124 -1.001) 3.602 7.947 ( -2.412 -0.861 -2.141) 3.338 8.374 ( -5.691 8.405 13.461) 16.859 8.707 ( -7.240 3.145 -16.461) 18.256 8.793 ( -6.248 -5.835 8.024) 11.725 8.999 ( -5.350 -3.521 -10.518) 12.315 9.971 ( -4.742 -0.313 3.845) 6.113 10.059 ( -2.599 4.848 -3.404) 6.469 10.159 ( -1.127 3.319 7.363) 8.155 10.282 ( -5.182 1.680 0.057) 5.448 10.315 ( -2.070 -0.439 3.460) 4.056 10.372 ( 1.505 1.166 -3.294) 3.805 10.454 ( 0.154 -5.152 2.806) 5.868 10.535 ( -7.948 -7.760 -4.617) 12.029 10.766 ( 0.985 3.722 9.033) 9.819 10.932 ( 2.048 3.186 -2.295) 4.429 11.196 ( 0.131 -5.153 -3.809) 6.410 11.277 ( 4.142 -5.258 -9.722) 11.803 11.666 ( 7.535 5.264 4.005) 10.026 11.727 ( 8.371 -0.686 0.118) 8.400 11.817 ( 9.596 -0.734 -0.618) 9.644 11.849 ( 8.174 0.586 -3.279) 8.827 12.162 ( 10.792 4.046 5.630) 12.827 12.259 ( 9.957 5.740 -3.876) 12.129 12.388 ( 5.915 -3.818 6.047) 9.280 12.481 ( 4.871 -2.780 -3.095) 6.406 13.283 ( -3.361 -0.714 4.195) 5.423 13.322 ( -5.718 0.401 4.197) 7.104 13.443 ( -5.174 -0.595 -9.674) 10.987 13.448 ( -8.660 -0.494 -8.453) 12.112 14.280 ( 2.022 0.438 4.933) 5.349 14.300 ( 2.324 -0.158 6.204) 6.627 14.407 ( 2.124 -0.200 -6.200) 6.557 14.446 ( 2.713 -0.176 -6.532) 7.076 15.027 ( -11.036 2.400 6.996) 13.285 15.172 ( -11.091 -1.875 5.542) 12.540 15.197 ( -9.421 1.769 -8.201) 12.615 15.326 ( -11.304 -1.982 -8.185) 14.096 19.288 ( 0.676 1.946 2.583) 3.304 19.331 ( -0.398 2.802 -1.380) 3.148 19.440 ( -1.762 -2.865 2.700) 4.313 19.497 ( -1.859 -2.475 -2.836) 4.198 19.739 ( -0.021 -0.751 5.191) 5.245 19.838 ( -0.530 2.315 -4.006) 4.657 20.332 ( 7.197 -0.710 9.803) 12.182 20.563 ( 8.009 0.325 -12.040) 14.464 21.420 ( -15.259 0.051 10.062) 18.278 21.600 ( -13.944 0.238 -7.143) 15.669 21.904 ( -7.001 -0.349 2.717) 7.518 21.957 ( -6.003 0.621 -2.420) 6.502 22.464 ( 2.197 -1.030 0.881) 2.582 22.484 ( 3.041 -0.274 -1.058) 3.232 22.873 ( 3.928 -0.020 12.744) 13.336 23.148 ( 6.256 -0.070 -13.716) 15.076======================= Grid point 234 (82/90) =======================q-point: ( 0.30 0.25 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.576 ( 0.786 3.346 5.517) 6.500 2.667 ( -2.027 4.208 -2.676) 5.383 2.726 ( -1.779 3.268 4.248) 5.647 2.795 ( -3.649 1.353 -1.997) 4.374 3.072 ( 3.310 -5.756 3.965) 7.734 3.095 ( 2.521 -2.295 1.464) 3.711 3.159 ( 4.486 -5.320 5.070) 8.610 3.311 ( 6.860 -5.118 -8.758) 12.246 3.831 ( -4.600 10.954 3.595) 12.413 3.960 ( -9.000 7.835 -6.891) 13.780 4.318 ( -1.374 -5.352 8.522) 10.156 4.356 ( -5.808 -6.566 2.179) 9.033 4.437 ( -4.589 -4.979 -0.957) 6.839 4.455 ( 0.757 1.557 1.012) 2.005 4.661 ( -0.107 2.341 1.020) 2.556 4.682 ( -1.757 -2.050 2.475) 3.662 4.839 ( -1.360 7.196 0.238) 7.328 4.922 ( -0.876 6.741 -4.441) 8.120 5.075 ( 1.066 -0.900 0.037) 1.396 5.153 ( -5.249 -0.243 -6.597) 8.434 5.664 ( 1.244 0.768 4.573) 4.801 5.723 ( 1.463 -5.429 1.039) 5.718 5.867 ( 9.682 -3.300 0.783) 10.259 5.935 ( 7.149 -10.000 -4.852) 13.215 6.192 ( 4.971 -0.227 7.346) 8.873 6.360 ( 5.239 1.934 -8.739) 10.371 6.514 ( 0.011 2.430 9.180) 9.496 6.679 ( -1.310 5.400 -6.234) 8.351 7.544 ( -1.582 -2.866 11.096) 11.569 7.720 ( -3.892 3.205 -1.721) 5.328 7.808 ( -6.104 -1.970 -0.623) 6.444 7.874 ( -4.754 -0.054 -5.061) 6.944 8.289 ( -2.256 6.940 11.296) 13.448 8.582 ( -5.233 0.551 -9.881) 11.195 8.666 ( -5.967 -3.094 1.650) 6.921 8.882 ( -6.210 -3.576 -12.639) 14.529 9.867 ( -5.507 -0.678 3.585) 6.606 9.968 ( -6.124 4.598 -5.233) 9.276 10.109 ( -8.848 0.331 1.696) 9.015 10.161 ( -1.051 2.389 5.850) 6.406 10.242 ( -6.891 -1.740 -0.016) 7.108 10.401 ( 0.478 -1.135 -0.610) 1.375 10.446 ( 0.342 -0.753 -2.158) 2.311 10.494 ( 3.297 -2.784 -0.729) 4.376 10.823 ( 4.500 2.766 8.100) 9.670 10.973 ( 2.452 2.775 -3.837) 5.333 11.181 ( -1.818 -4.733 2.104) 5.490 11.311 ( -0.608 -4.084 -9.228) 10.110 11.826 ( 8.757 4.285 5.030) 10.970 11.896 ( 8.973 -1.335 2.942) 9.536 12.008 ( 8.070 1.092 -2.706) 8.581 12.043 ( 13.001 -0.811 -5.702) 14.219 12.386 ( 11.431 2.232 5.287) 12.791 12.469 ( 11.094 2.334 -2.365) 11.580 12.525 ( 7.364 -2.639 6.428) 10.125 12.621 ( 8.243 0.613 -2.503) 8.637 13.151 ( -9.793 -0.528 4.625) 10.843 13.190 ( -6.653 2.003 1.701) 7.154 13.312 ( -6.031 -2.169 -3.323) 7.219 13.359 ( -2.770 -0.870 -5.772) 6.461 14.265 ( -3.810 -0.243 5.613) 6.788 14.292 ( -3.638 -0.124 5.834) 6.877 14.404 ( -3.673 0.498 -7.661) 8.510 14.443 ( -4.608 -0.975 -7.833) 9.140 14.853 ( -4.734 1.695 7.834) 9.309 14.947 ( -8.164 -0.409 4.998) 9.581 15.063 ( -5.157 0.171 -9.122) 10.480 15.118 ( -9.107 -1.005 -8.182) 12.283 19.306 ( 1.123 0.765 1.785) 2.243 19.329 ( 0.246 1.881 -0.061) 1.898 19.407 ( -1.541 -1.125 2.388) 3.056 19.461 ( -1.881 -1.385 -2.643) 3.527 19.779 ( 3.851 -0.927 4.369) 5.898 19.866 ( 3.396 1.760 -3.676) 5.305 20.402 ( -0.779 -0.227 8.991) 9.027 20.538 ( -9.829 0.281 -2.402) 10.122 21.303 ( 2.695 0.027 1.199) 2.950 21.402 ( -5.407 0.039 -6.741) 8.641 21.756 ( -7.793 -0.330 3.272) 8.458 21.829 ( -6.885 0.452 -3.709) 7.834 22.514 ( 3.278 -0.658 2.618) 4.247 22.586 ( 6.988 -0.213 -4.558) 8.346 22.894 ( -1.535 -0.112 13.183) 13.273 23.189 ( -1.714 -0.096 -15.052) 15.149======================= Grid point 235 (83/90) =======================q-point: ( 0.40 0.25 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.567 ( -0.038 2.067 1.693) 2.672 2.629 ( -0.851 3.889 -3.960) 5.615 2.679 ( -3.637 5.100 0.928) 6.332 2.728 ( -3.257 4.743 -3.591) 6.782 3.129 ( 2.382 -6.474 1.364) 7.032 3.153 ( 4.202 -5.135 -0.122) 6.637 3.236 ( 0.864 -9.414 4.953) 10.672 3.368 ( -1.817 -10.614 -6.995) 12.841 3.832 ( 3.683 10.222 -1.235) 10.936 3.844 ( 0.865 11.043 -1.574) 11.188 4.157 ( -11.330 -2.211 2.388) 11.788 4.199 ( -10.588 -3.978 -1.559) 11.418 4.405 ( 2.741 -0.130 7.287) 7.786 4.477 ( 1.322 3.737 0.879) 4.060 4.630 ( -1.831 1.838 0.133) 2.598 4.681 ( -2.917 -1.143 -0.915) 3.264 4.878 ( 4.124 4.266 3.660) 6.972 4.944 ( 2.732 -0.289 0.341) 2.769 5.085 ( -1.149 2.485 -1.538) 3.140 5.104 ( 1.128 -1.907 -2.885) 3.638 5.707 ( 4.322 0.010 6.321) 7.657 5.810 ( 7.674 -0.776 -3.017) 8.282 6.006 ( -0.875 -3.919 4.473) 6.011 6.071 ( 3.924 -8.394 -1.777) 9.434 6.268 ( 6.132 3.636 6.852) 9.888 6.428 ( 1.612 4.403 -7.666) 8.986 6.504 ( -0.412 -1.975 3.210) 3.791 6.585 ( -6.731 -0.327 -4.652) 8.189 7.541 ( 1.025 -2.212 8.100) 8.459 7.659 ( -2.964 0.459 1.473) 3.341 7.693 ( -3.942 0.408 -2.044) 4.459 7.773 ( -5.072 0.884 -5.952) 7.870 8.297 ( 2.853 3.996 9.979) 11.121 8.488 ( -5.108 -3.088 7.768) 9.796 8.599 ( 0.098 1.953 -14.648) 14.778 8.764 ( -5.790 -2.204 -14.478) 15.748 9.780 ( -2.683 -0.749 1.998) 3.428 9.865 ( -3.414 2.666 -4.837) 6.493 9.922 ( -8.762 0.050 -0.876) 8.806 10.020 ( -9.691 -1.383 -8.903) 13.232 10.237 ( 3.535 1.786 13.779) 14.337 10.381 ( -2.446 -1.068 10.948) 11.268 10.488 ( 3.012 1.682 -9.056) 9.690 10.551 ( 1.462 0.150 -4.964) 5.177 10.922 ( 5.222 0.196 7.000) 8.735 11.045 ( 4.757 0.264 -3.271) 5.779 11.125 ( -3.596 -3.528 3.610) 6.198 11.263 ( -4.039 -2.877 -8.212) 9.593 11.996 ( 8.102 2.949 6.950) 11.074 12.067 ( 7.183 -1.089 7.118) 10.171 12.164 ( 7.865 3.084 -4.040) 9.364 12.272 ( 8.228 0.016 -9.631) 12.667 12.582 ( 7.731 -1.221 4.241) 8.902 12.630 ( 5.182 0.047 2.997) 5.986 12.690 ( 7.250 -1.166 1.461) 7.487 12.751 ( 4.066 1.968 -0.800) 4.587 13.004 ( -2.084 1.357 5.025) 5.607 13.075 ( -3.644 1.541 -0.449) 3.982 13.207 ( -4.861 -2.158 3.989) 6.648 13.288 ( -5.718 -2.063 -1.592) 6.284 14.162 ( -4.641 -0.463 2.200) 5.157 14.186 ( -5.675 0.393 2.748) 6.318 14.256 ( -9.632 -0.711 -5.689) 11.209 14.286 ( -8.824 0.419 -6.077) 10.722 14.843 ( 2.253 1.201 3.743) 4.531 14.891 ( 1.003 -0.327 0.886) 1.378 14.983 ( -4.797 -0.160 -5.178) 7.060 14.988 ( -2.936 -0.533 -7.309) 7.894 19.331 ( 1.335 0.168 1.083) 1.727 19.342 ( 1.161 0.845 0.444) 1.503 19.379 ( -1.269 -0.333 1.827) 2.249 19.421 ( -2.170 -0.288 -1.891) 2.893 19.886 ( 7.090 -0.663 4.578) 8.465 19.970 ( 7.089 0.978 -3.105) 7.801 20.293 ( -13.089 -0.018 4.409) 13.812 20.308 ( -7.950 0.090 2.911) 8.467 21.382 ( 2.878 -0.129 -1.320) 3.169 21.419 ( 6.919 0.342 -4.882) 8.475 21.606 ( -7.343 -0.202 3.358) 8.077 21.692 ( -6.977 0.385 -4.816) 8.487 22.597 ( 5.195 -0.436 5.726) 7.744 22.748 ( 9.250 -0.175 -8.965) 12.882 22.826 ( -5.071 -0.212 11.725) 12.777 23.099 ( -6.954 -0.124 -14.475) 16.059======================= Grid point 236 (84/90) =======================q-point: (-0.50 0.25 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.600 ( -3.282 3.417 0.654) 4.782 2.600 ( 3.282 3.417 0.654) 4.782 2.659 ( -3.285 5.371 -4.953) 8.011 2.659 ( 3.285 5.371 -4.953) 8.011 3.182 ( -2.715 -8.709 2.980) 9.596 3.182 ( 2.715 -8.709 2.980) 9.596 3.274 ( -5.831 -8.251 -5.549) 11.527 3.274 ( 5.831 -8.251 -5.549) 11.527 3.940 ( -8.854 5.338 3.002) 10.766 3.940 ( 8.854 5.338 3.002) 10.766 3.999 ( -8.920 3.264 -2.701) 9.876 3.999 ( 8.920 3.264 -2.701) 9.876 4.480 ( -2.694 0.750 6.474) 7.052 4.480 ( 2.694 0.750 6.474) 7.052 4.607 ( -1.324 2.041 -4.699) 5.291 4.607 ( 1.324 2.041 -4.699) 5.291 4.959 ( -2.688 0.975 7.366) 7.902 4.959 ( 2.688 0.975 7.366) 7.902 5.095 ( -1.762 0.077 -4.088) 4.452 5.095 ( 1.762 0.077 -4.088) 4.452 5.852 ( -9.546 -1.082 8.762) 13.003 5.852 ( 9.546 -1.082 8.762) 13.003 6.006 ( -9.279 -1.295 -5.556) 10.892 6.006 ( 9.279 -1.295 -5.556) 10.893 6.420 ( -6.098 -1.959 2.113) 6.745 6.420 ( 6.098 -1.959 2.113) 6.745 6.489 ( -1.683 0.178 -3.603) 3.980 6.489 ( 1.683 0.178 -3.603) 3.980 7.583 ( -3.341 -1.731 5.093) 6.332 7.583 ( 3.341 -1.731 5.093) 6.332 7.694 ( -2.585 1.796 -5.096) 5.989 7.694 ( 2.585 1.796 -5.096) 5.989 8.382 ( -5.320 0.142 10.301) 11.595 8.382 ( 5.320 0.142 10.301) 11.595 8.657 ( -4.837 0.374 -15.961) 16.682 8.657 ( 4.837 0.374 -15.961) 16.682 9.787 ( -3.634 -0.474 0.808) 3.753 9.787 ( 3.634 -0.474 0.808) 3.753 9.876 ( -4.061 0.452 -7.933) 8.924 9.876 ( 4.061 0.452 -7.933) 8.924 10.315 ( -4.000 0.426 13.252) 13.849 10.315 ( 4.000 0.426 13.252) 13.849 10.542 ( -2.042 1.652 -7.990) 8.411 10.542 ( 2.042 1.652 -7.990) 8.411 11.025 ( -5.134 -2.643 6.548) 8.731 11.025 ( 5.134 -2.643 6.548) 8.731 11.164 ( -5.645 -1.041 -6.818) 8.913 11.164 ( 5.645 -1.041 -6.818) 8.913 12.113 ( -2.702 0.897 8.817) 9.265 12.113 ( 2.702 0.897 8.817) 9.265 12.304 ( -4.643 3.268 -7.810) 9.656 12.304 ( 4.643 3.268 -7.810) 9.656 12.674 ( -2.106 -2.703 4.936) 6.009 12.674 ( 2.106 -2.703 4.936) 6.009 12.757 ( -3.046 0.727 -2.175) 3.812 12.757 ( 3.046 0.727 -2.175) 3.812 13.098 ( -5.923 -0.330 4.553) 7.478 13.098 ( 5.923 -0.330 4.553) 7.478 13.125 ( -8.867 -0.335 2.556) 9.235 13.125 ( 8.867 -0.335 2.556) 9.235 14.131 ( -1.464 -0.108 -1.536) 2.125 14.131 ( 1.464 -0.108 -1.536) 2.125 14.151 ( -3.715 0.101 -3.501) 5.105 14.151 ( 3.715 0.101 -3.501) 5.105 14.900 ( -2.876 0.244 -0.409) 2.916 14.900 ( 2.876 0.244 -0.409) 2.916 14.938 ( -2.072 -0.269 -3.965) 4.482 14.938 ( 2.072 -0.269 -3.965) 4.482 19.354 ( -1.006 -0.009 1.547) 1.845 19.354 ( 1.006 -0.009 1.547) 1.845 19.379 ( -2.010 0.193 -0.871) 2.199 19.379 ( 2.010 0.193 -0.871) 2.199 20.058 ( -10.467 -0.283 5.312) 11.741 20.058 ( 10.467 -0.283 5.312) 11.741 20.133 ( -9.135 0.412 -1.447) 9.258 20.133 ( 9.135 0.412 -1.447) 9.258 21.474 ( -5.996 -0.109 2.222) 6.395 21.474 ( 5.996 -0.109 2.222) 6.395 21.556 ( -6.930 0.367 -5.483) 8.844 21.556 ( 6.930 0.367 -5.483) 8.844 22.711 ( -6.170 -0.308 9.054) 10.960 22.711 ( 6.170 -0.308 9.054) 10.960 22.935 ( -9.377 -0.148 -12.461) 15.596 22.935 ( 9.377 -0.148 -12.461) 15.596======================= Grid point 242 (85/90) =======================q-point: ( 0.00 -0.50 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.616 ( 0.000 -9.957 16.936) 19.646 2.616 ( 0.000 9.957 16.936) 19.646 2.758 ( 0.000 -9.263 19.861) 21.915 2.758 ( 0.000 9.263 19.861) 21.915 2.927 ( 0.000 -4.679 -12.263) 13.125 2.927 ( 0.000 4.679 -12.263) 13.125 3.101 ( 0.000 -3.734 -11.528) 12.117 3.101 ( 0.000 3.734 -11.528) 12.117 4.236 ( 0.000 -4.976 8.690) 10.014 4.236 ( 0.000 4.976 8.690) 10.014 4.355 ( 0.000 -3.247 8.737) 9.320 4.355 ( 0.000 3.247 8.737) 9.320 4.482 ( 0.000 -6.379 -8.298) 10.467 4.482 ( 0.000 6.379 -8.298) 10.467 4.556 ( 0.000 -1.335 -5.548) 5.706 4.556 ( 0.000 1.335 -5.548) 5.706 5.107 ( 0.000 -4.848 6.268) 7.925 5.107 ( 0.000 4.848 6.268) 7.925 5.269 ( 0.000 -5.137 -9.451) 10.757 5.269 ( 0.000 5.137 -9.451) 10.757 5.800 ( 0.000 -4.140 11.655) 12.369 5.800 ( 0.000 4.140 11.655) 12.369 5.903 ( 0.000 -1.151 15.547) 15.590 5.903 ( 0.000 1.151 15.547) 15.590 5.997 ( 0.000 -3.790 -8.621) 9.417 5.997 ( 0.000 3.790 -8.621) 9.417 6.276 ( 0.000 -3.204 -15.215) 15.549 6.276 ( 0.000 3.204 -15.215) 15.549 7.813 ( 0.000 -0.003 6.349) 6.349 7.813 ( 0.000 0.003 6.349) 6.349 7.947 ( 0.000 -0.557 -5.853) 5.880 7.947 ( 0.000 0.557 -5.853) 5.880 8.750 ( 0.000 -10.085 13.688) 17.003 8.750 ( 0.000 10.085 13.688) 17.003 9.015 ( 0.000 -4.630 -11.718) 12.600 9.015 ( 0.000 4.630 -11.718) 12.600 10.186 ( 0.000 -2.886 2.696) 3.949 10.186 ( 0.000 2.886 2.696) 3.949 10.261 ( 0.000 -3.906 -3.454) 5.214 10.261 ( 0.000 3.906 -3.454) 5.214 10.353 ( 0.000 -1.773 8.226) 8.415 10.353 ( 0.000 1.773 8.226) 8.415 10.493 ( 0.000 -6.361 -5.225) 8.232 10.493 ( 0.000 6.361 -5.225) 8.232 10.880 ( 0.000 -0.002 6.274) 6.274 10.880 ( 0.000 0.002 6.274) 6.274 11.108 ( 0.000 -2.451 -12.663) 12.898 11.108 ( 0.000 2.451 -12.663) 12.898 11.508 ( 0.000 -3.078 5.253) 6.088 11.508 ( 0.000 3.078 5.253) 6.088 11.583 ( 0.000 -0.579 -1.498) 1.606 11.583 ( 0.000 0.579 -1.498) 1.606 12.133 ( 0.000 -9.160 6.589) 11.283 12.133 ( 0.000 9.160 6.589) 11.283 12.263 ( 0.000 -10.085 -6.345) 11.915 12.263 ( 0.000 10.085 -6.345) 11.915 13.417 ( 0.000 -3.551 4.053) 5.388 13.417 ( 0.000 3.551 4.053) 5.388 13.593 ( 0.000 -2.813 -12.472) 12.786 13.593 ( 0.000 2.813 -12.472) 12.786 14.212 ( 0.000 -1.834 5.111) 5.430 14.212 ( 0.000 1.834 5.111) 5.430 14.321 ( 0.000 -1.036 -5.066) 5.171 14.321 ( 0.000 1.036 -5.066) 5.171 15.394 ( 0.000 -5.237 3.887) 6.522 15.394 ( 0.000 5.237 3.887) 6.522 15.494 ( 0.000 -5.872 -5.780) 8.240 15.494 ( 0.000 5.872 -5.780) 8.240 19.373 ( 0.000 -5.193 3.764) 6.414 19.373 ( 0.000 5.193 3.764) 6.414 19.447 ( 0.000 -5.554 -2.970) 6.299 19.447 ( 0.000 5.554 -2.970) 6.299 19.945 ( 0.000 -0.400 4.459) 4.477 19.945 ( 0.000 0.400 4.459) 4.477 20.054 ( 0.000 -0.017 -5.639) 5.639 20.054 ( 0.000 0.017 -5.639) 5.639 22.040 ( 0.000 -0.089 3.059) 3.060 22.040 ( 0.000 0.089 3.059) 3.060 22.092 ( 0.000 -0.431 -1.903) 1.951 22.092 ( 0.000 0.431 -1.903) 1.951 22.535 ( 0.000 -0.544 5.117) 5.146 22.535 ( 0.000 0.544 5.117) 5.146 22.618 ( 0.000 -0.079 -2.696) 2.697 22.618 ( 0.000 0.079 -2.696) 2.697======================= Grid point 244 (86/90) =======================q-point: ( 0.10 -0.50 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.508 ( -1.706 0.000 14.151) 14.253 2.751 ( 4.584 0.000 17.657) 18.243 2.772 ( -1.411 -0.000 0.759) 1.602 2.800 ( -0.149 0.000 6.533) 6.535 2.828 ( 4.755 -0.000 14.165) 14.942 3.047 ( 2.036 0.000 -8.463) 8.704 3.082 ( 0.596 0.000 -6.976) 7.002 3.139 ( 2.180 -0.000 -13.527) 13.701 4.152 ( -4.661 -0.000 10.523) 11.509 4.253 ( -0.157 0.000 7.931) 7.932 4.299 ( -2.934 -0.000 7.746) 8.283 4.400 ( -3.186 0.000 -12.017) 12.432 4.405 ( -1.130 0.000 -3.774) 3.939 4.474 ( -1.058 0.000 -6.298) 6.386 4.549 ( 3.996 -0.000 7.905) 8.858 4.682 ( 4.331 0.000 -5.152) 6.730 5.082 ( -1.006 0.000 9.618) 9.670 5.148 ( 1.920 0.000 1.557) 2.472 5.214 ( -2.871 0.000 -5.191) 5.932 5.293 ( -2.023 -0.000 -9.303) 9.520 5.612 ( -8.237 0.000 13.629) 15.925 5.698 ( -4.895 0.000 4.195) 6.447 5.786 ( -9.868 -0.000 -4.286) 10.758 5.804 ( -6.778 0.000 -1.978) 7.061 6.040 ( -1.453 0.000 -1.268) 1.928 6.193 ( 4.276 0.000 -12.660) 13.362 6.245 ( 16.272 0.000 15.902) 22.752 6.550 ( 12.655 0.000 -11.888) 17.363 7.696 ( -6.588 0.000 10.449) 12.353 7.871 ( 0.527 0.000 4.196) 4.229 7.931 ( -1.658 -0.000 -10.946) 11.071 7.946 ( 0.036 0.000 -2.768) 2.768 8.672 ( -5.645 0.000 11.885) 13.157 8.739 ( -3.129 -0.000 14.648) 14.978 8.917 ( -6.543 0.000 -12.108) 13.763 9.020 ( -2.371 0.000 -11.931) 12.164 10.076 ( -6.420 0.000 4.847) 8.044 10.176 ( -1.870 0.000 -3.506) 3.974 10.217 ( 0.324 -0.000 5.006) 5.017 10.317 ( 1.747 0.000 -2.353) 2.931 10.338 ( -0.928 -0.000 3.616) 3.733 10.395 ( -2.129 -0.000 -2.000) 2.921 10.410 ( 0.145 0.000 4.979) 4.981 10.556 ( -4.438 0.000 -6.016) 7.476 10.841 ( -2.264 0.000 8.093) 8.404 10.886 ( 3.035 -0.000 8.510) 9.035 11.095 ( 4.450 0.000 -10.234) 11.160 11.130 ( -0.849 0.000 -16.551) 16.573 11.575 ( 6.005 0.000 2.144) 6.377 11.607 ( 6.412 -0.000 -1.577) 6.603 11.621 ( 7.483 0.000 6.002) 9.593 11.714 ( 8.035 0.000 -2.790) 8.506 12.111 ( 2.611 0.000 8.874) 9.250 12.209 ( 4.108 0.000 5.166) 6.600 12.266 ( 3.064 -0.000 -6.395) 7.091 12.308 ( 2.513 0.000 -4.911) 5.516 13.339 ( -4.175 0.000 4.611) 6.220 13.427 ( -2.184 0.000 3.573) 4.188 13.524 ( -4.307 -0.000 -12.688) 13.399 13.575 ( -4.363 0.000 -10.562) 11.427 14.226 ( 2.675 0.000 5.025) 5.693 14.250 ( 2.556 0.000 6.109) 6.622 14.341 ( 2.746 0.000 -5.677) 6.306 14.376 ( 3.836 0.000 -5.713) 6.881 15.298 ( -9.053 -0.000 4.258) 10.005 15.321 ( -7.453 0.000 5.377) 9.190 15.407 ( -7.093 0.000 -6.264) 9.463 15.450 ( -5.780 0.000 -7.089) 9.147 19.349 ( -1.383 0.000 4.123) 4.349 19.386 ( 0.360 -0.000 2.821) 2.844 19.426 ( -1.469 0.000 -2.911) 3.261 19.448 ( -0.392 -0.000 -3.035) 3.061 19.789 ( -5.566 0.000 6.112) 8.267 19.913 ( -4.401 0.000 -5.473) 7.023 20.140 ( 10.120 -0.000 7.125) 12.377 20.317 ( 14.906 0.000 -9.843) 17.863 21.799 ( -19.388 0.000 6.718) 20.519 21.903 ( -14.785 0.000 -3.545) 15.204 22.018 ( -4.576 0.000 2.659) 5.293 22.067 ( -3.862 0.000 -2.056) 4.375 22.422 ( -0.743 0.000 2.937) 3.029 22.465 ( -2.015 0.000 -1.036) 2.266 22.739 ( 9.405 -0.000 9.842) 13.613 22.938 ( 14.774 0.000 -9.202) 17.405======================= Grid point 246 (87/90) =======================q-point: ( 0.20 -0.50 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.552 ( 5.492 0.000 9.943) 11.359 2.751 ( 1.310 0.000 -9.094) 9.188 2.792 ( -2.319 0.000 9.545) 9.823 2.861 ( -0.907 0.000 6.685) 6.746 2.879 ( 5.378 -0.000 15.841) 16.729 3.040 ( -0.617 0.000 0.319) 0.695 3.096 ( 0.347 0.000 -2.617) 2.640 3.187 ( 2.674 0.000 -13.358) 13.623 4.096 ( -0.908 -0.000 7.729) 7.782 4.217 ( -4.468 0.000 1.977) 4.885 4.219 ( -4.092 -0.000 6.351) 7.555 4.323 ( -6.010 0.000 -2.296) 6.433 4.389 ( 0.168 -0.000 -4.580) 4.583 4.488 ( 2.144 0.000 -5.525) 5.927 4.623 ( 3.852 0.000 6.812) 7.825 4.706 ( -2.067 0.000 -1.413) 2.504 5.023 ( -5.275 0.000 6.981) 8.750 5.116 ( -4.498 0.000 0.251) 4.505 5.168 ( -8.378 -0.000 -5.106) 9.811 5.191 ( -0.941 0.000 -5.150) 5.235 5.584 ( 2.332 -0.000 3.691) 4.366 5.653 ( 1.165 0.000 1.650) 2.020 5.687 ( -2.218 0.000 -5.781) 6.192 5.702 ( 3.012 0.000 -3.052) 4.288 6.074 ( 4.065 0.000 6.417) 7.596 6.275 ( 4.336 0.000 -11.812) 12.583 6.493 ( 8.099 0.000 14.308) 16.442 6.733 ( 5.323 0.000 -8.209) 9.784 7.576 ( -5.069 0.000 13.149) 14.093 7.840 ( -3.235 0.000 4.993) 5.949 7.876 ( -3.972 -0.000 -14.125) 14.673 7.934 ( -1.760 0.000 -3.670) 4.070 8.543 ( -6.993 0.000 10.104) 12.288 8.640 ( -6.246 -0.000 15.093) 16.335 8.778 ( -7.134 0.000 -13.233) 15.034 8.937 ( -5.483 0.000 -12.986) 14.096 9.969 ( -5.112 0.000 6.560) 8.316 10.144 ( -2.488 -0.000 -9.100) 9.434 10.212 ( -0.446 -0.000 8.352) 8.364 10.308 ( -8.603 0.000 4.241) 9.591 10.351 ( 2.891 -0.000 3.716) 4.708 10.354 ( -3.228 0.000 -6.509) 7.266 10.374 ( -0.368 0.000 1.786) 1.823 10.404 ( -3.777 0.000 -3.543) 5.178 10.821 ( 0.713 0.000 9.203) 9.231 10.995 ( 5.638 0.000 8.703) 10.370 11.101 ( -1.986 -0.000 -14.977) 15.108 11.211 ( 4.983 0.000 -11.625) 12.648 11.713 ( 8.036 0.000 3.997) 8.975 11.750 ( 6.236 0.000 5.193) 8.115 11.787 ( 10.389 0.000 -3.128) 10.850 11.861 ( 7.756 -0.000 -5.413) 9.458 12.254 ( 10.646 -0.000 9.185) 14.060 12.302 ( 5.659 0.000 4.641) 7.318 12.373 ( 4.686 0.000 -2.550) 5.335 12.403 ( 10.431 -0.000 -5.311) 11.705 13.274 ( -2.377 0.000 4.110) 4.748 13.326 ( -8.007 0.000 3.902) 8.908 13.435 ( -4.625 0.000 -10.773) 11.723 13.442 ( -8.260 0.000 -7.466) 11.134 14.289 ( 2.603 -0.000 4.442) 5.149 14.294 ( 1.090 0.000 7.140) 7.223 14.404 ( 2.993 0.000 -6.259) 6.938 14.443 ( 2.327 0.000 -6.868) 7.252 15.073 ( -12.522 -0.000 6.861) 14.278 15.128 ( -11.215 0.000 6.732) 13.080 15.237 ( -9.494 0.000 -8.900) 13.013 15.287 ( -9.979 0.000 -8.521) 13.122 19.325 ( -0.920 0.000 3.687) 3.800 19.387 ( -0.165 0.000 2.506) 2.512 19.394 ( -1.623 -0.000 -2.703) 3.152 19.441 ( -0.112 -0.000 -2.645) 2.648 19.734 ( -0.275 0.000 6.671) 6.677 19.865 ( -0.669 0.000 -5.743) 5.782 20.322 ( 7.578 0.000 10.800) 13.193 20.567 ( 8.143 0.000 -12.563) 14.971 21.421 ( -15.431 0.000 10.193) 18.494 21.603 ( -14.118 0.000 -7.233) 15.863 21.899 ( -7.077 0.000 3.188) 7.762 21.966 ( -6.154 0.000 -3.200) 6.936 22.451 ( 2.330 0.000 1.496) 2.769 22.479 ( 3.256 0.000 -1.342) 3.522 22.873 ( 3.891 0.000 12.799) 13.378 23.147 ( 6.246 0.000 -13.523) 14.896======================= Grid point 248 (88/90) =======================q-point: ( 0.30 -0.50 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.678 ( 6.181 0.000 5.412) 8.216 2.687 ( -5.982 -0.000 4.547) 7.514 2.778 ( -6.245 0.000 -3.713) 7.265 2.790 ( 1.394 -0.000 -5.293) 5.474 2.984 ( 4.691 -0.000 11.571) 12.485 3.072 ( 2.133 0.000 4.709) 5.169 3.105 ( 1.198 -0.000 0.189) 1.213 3.230 ( 1.003 0.000 -11.612) 11.656 4.087 ( -7.584 -0.000 5.780) 9.536 4.095 ( -0.726 0.000 2.790) 2.882 4.134 ( -3.097 0.000 3.738) 4.854 4.204 ( -6.676 -0.000 -5.066) 8.380 4.387 ( -0.044 0.000 1.005) 1.006 4.532 ( 2.090 -0.000 -6.777) 7.093 4.611 ( -5.084 0.000 8.989) 10.327 4.705 ( 3.036 0.000 0.124) 3.038 4.945 ( -1.988 -0.000 1.170) 2.306 5.028 ( -4.003 -0.000 -5.917) 7.144 5.037 ( -3.056 0.000 2.287) 3.817 5.142 ( -2.840 0.000 -5.736) 6.400 5.633 ( 2.429 0.000 4.028) 4.703 5.704 ( 3.096 0.000 -3.930) 5.004 5.779 ( 9.935 0.000 2.847) 10.335 5.842 ( 9.259 0.000 -2.604) 9.618 6.188 ( 7.014 0.000 7.631) 10.365 6.377 ( 5.718 0.000 -10.035) 11.550 6.546 ( -2.183 0.000 11.732) 11.934 6.744 ( -4.300 0.000 -6.860) 8.096 7.513 ( -1.267 0.000 12.247) 12.313 7.756 ( -5.074 0.000 5.403) 7.412 7.783 ( -4.974 0.000 -12.278) 13.247 7.872 ( -4.313 -0.000 -5.371) 6.888 8.422 ( -4.799 0.000 8.649) 9.891 8.520 ( -5.519 0.000 14.876) 15.867 8.661 ( -4.251 0.000 -15.076) 15.664 8.825 ( -5.509 0.000 -14.183) 15.215 9.861 ( -5.709 0.000 5.578) 7.981 10.050 ( -6.800 -0.000 -12.218) 13.983 10.104 ( -10.462 0.000 2.485) 10.754 10.178 ( -8.608 0.000 -4.284) 9.615 10.229 ( -0.072 0.000 10.749) 10.749 10.376 ( 0.229 0.000 7.984) 7.987 10.444 ( 5.638 -0.000 1.134) 5.751 10.448 ( 3.542 0.000 -8.656) 9.353 10.870 ( 3.817 0.000 6.927) 7.909 11.061 ( -1.516 0.000 -9.935) 10.050 11.063 ( 1.050 -0.000 8.352) 8.418 11.257 ( -0.106 0.000 -10.314) 10.314 11.879 ( 8.574 0.000 6.706) 10.885 11.892 ( 8.299 -0.000 5.611) 10.017 11.994 ( 10.700 0.000 -3.656) 11.308 12.050 ( 11.379 0.000 -9.309) 14.701 12.432 ( 7.218 0.000 4.341) 8.423 12.476 ( 11.270 0.000 9.823) 14.950 12.501 ( 8.089 0.000 -1.799) 8.287 12.626 ( 10.848 0.000 -4.300) 11.669 13.144 ( -9.230 0.000 5.727) 10.862 13.232 ( -2.439 0.000 3.383) 4.171 13.267 ( -9.496 -0.000 -5.873) 11.166 13.347 ( -4.236 0.000 -6.282) 7.577 14.262 ( -4.575 0.000 6.648) 8.070 14.290 ( -2.947 0.000 4.730) 5.573 14.418 ( -2.815 -0.000 -7.206) 7.736 14.422 ( -5.740 0.000 -8.213) 10.020 14.881 ( -5.192 0.000 8.007) 9.543 14.935 ( -6.909 0.000 6.674) 9.606 15.071 ( -6.661 0.000 -10.134) 12.127 15.100 ( -8.184 0.000 -9.051) 12.202 19.318 ( 0.239 0.000 2.596) 2.607 19.367 ( -0.990 0.000 -1.974) 2.208 19.381 ( -0.423 -0.000 3.024) 3.053 19.438 ( -0.487 -0.000 -2.346) 2.396 19.769 ( 3.768 0.000 5.800) 6.916 19.886 ( 2.959 0.000 -5.231) 6.010 20.399 ( -0.513 0.000 9.624) 9.638 20.542 ( -10.020 0.000 -2.474) 10.321 21.303 ( 2.812 0.000 1.021) 2.991 21.402 ( -5.461 0.000 -6.854) 8.763 21.752 ( -7.721 0.000 3.630) 8.531 21.835 ( -6.965 0.000 -4.374) 8.224 22.505 ( 3.475 0.000 3.065) 4.634 22.583 ( 7.027 0.000 -4.703) 8.455 22.893 ( -1.606 0.000 13.279) 13.376 23.188 ( -1.735 0.000 -14.944) 15.044======================= Grid point 250 (89/90) =======================q-point: ( 0.40 -0.50 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.615 ( -0.698 0.000 1.743) 1.877 2.696 ( -0.913 0.000 -5.983) 6.053 2.753 ( -0.930 0.000 0.321) 0.984 2.776 ( -1.355 0.000 -1.359) 1.919 3.046 ( 1.731 0.000 5.931) 6.178 3.076 ( -0.652 -0.000 3.650) 3.708 3.142 ( 1.176 -0.000 -2.246) 2.535 3.203 ( -3.383 0.000 -8.162) 8.836 3.991 ( -1.601 0.000 3.489) 3.838 4.045 ( -2.504 0.000 3.847) 4.590 4.073 ( -5.107 -0.000 -4.367) 6.720 4.094 ( -3.038 -0.000 -1.153) 3.250 4.413 ( 3.132 0.000 6.165) 6.915 4.548 ( -2.074 -0.000 9.043) 9.278 4.576 ( 2.593 0.000 -6.966) 7.433 4.702 ( -2.908 0.000 -4.698) 5.525 4.944 ( 1.503 -0.000 4.171) 4.433 4.996 ( -1.343 0.000 4.427) 4.626 5.039 ( 3.496 0.000 -4.071) 5.366 5.109 ( -0.591 -0.000 -4.300) 4.341 5.694 ( 4.681 0.000 6.473) 7.989 5.814 ( 8.288 0.000 -5.429) 9.908 5.937 ( 2.038 0.000 5.015) 5.413 5.990 ( 5.243 0.000 0.244) 5.249 6.312 ( 4.970 0.000 7.003) 8.588 6.472 ( 3.197 0.000 -7.829) 8.457 6.475 ( -2.518 0.000 4.132) 4.838 6.582 ( -10.767 0.000 -5.866) 12.261 7.516 ( 1.317 0.000 9.392) 9.484 7.652 ( -5.256 0.000 5.606) 7.684 7.711 ( -1.886 0.000 -8.491) 8.698 7.781 ( -4.470 0.000 -6.444) 7.843 8.368 ( -0.675 0.000 8.642) 8.669 8.434 ( -3.270 0.000 13.339) 13.734 8.624 ( 0.385 0.000 -16.299) 16.303 8.731 ( -4.071 0.000 -15.091) 15.630 9.771 ( -2.649 0.000 3.094) 4.073 9.911 ( -8.824 0.000 1.741) 8.994 9.918 ( -5.339 -0.000 -11.050) 12.273 9.995 ( -8.555 0.000 -7.074) 11.101 10.264 ( 2.679 0.000 13.748) 14.007 10.365 ( -1.469 0.000 12.139) 12.228 10.518 ( 3.356 0.000 -10.234) 10.770 10.541 ( 3.529 0.000 -4.111) 5.418 10.938 ( 2.610 0.000 5.497) 6.085 11.046 ( -2.321 0.000 8.182) 8.505 11.071 ( 2.910 -0.000 -6.699) 7.303 11.223 ( -2.993 0.000 -8.857) 9.349 12.037 ( 7.108 0.000 9.282) 11.691 12.055 ( 7.267 -0.000 7.914) 10.744 12.205 ( 10.406 -0.000 -5.365) 11.708 12.269 ( 9.397 0.000 -11.863) 15.134 12.559 ( 5.198 0.000 4.949) 7.177 12.655 ( 4.592 -0.000 8.971) 10.078 12.659 ( 7.072 0.000 -3.195) 7.760 12.773 ( 3.616 0.000 -0.805) 3.704 13.028 ( -1.450 0.000 3.767) 4.037 13.102 ( -4.942 0.000 -1.595) 5.193 13.171 ( -3.503 -0.000 5.122) 6.205 13.256 ( -5.826 0.000 -1.356) 5.982 14.157 ( -4.235 0.000 2.017) 4.690 14.191 ( -5.800 0.000 2.947) 6.506 14.247 ( -9.562 0.000 -5.628) 11.095 14.290 ( -8.618 0.000 -6.078) 10.546 14.865 ( 1.878 -0.000 3.235) 3.740 14.881 ( 0.551 0.000 2.763) 2.817 14.978 ( -3.244 0.000 -7.230) 7.924 14.983 ( -3.977 0.000 -6.748) 7.832 19.333 ( 1.163 0.000 1.408) 1.826 19.359 ( 0.261 0.000 -0.945) 0.980 19.370 ( -0.749 -0.000 2.695) 2.797 19.417 ( -1.599 -0.000 -1.765) 2.382 19.878 ( 7.288 0.000 5.562) 9.168 19.982 ( 6.673 0.000 -4.129) 7.847 20.292 ( -13.185 0.000 4.645) 13.979 20.309 ( -7.846 0.000 3.037) 8.413 21.380 ( 2.958 0.000 -1.183) 3.185 21.424 ( 6.925 0.000 -5.315) 8.730 21.604 ( -7.258 0.000 3.596) 8.100 21.698 ( -6.998 0.000 -5.355) 8.811 22.591 ( 5.307 0.000 6.023) 8.028 22.746 ( 9.278 0.000 -9.035) 12.950 22.823 ( -5.142 0.000 11.894) 12.958 23.098 ( -6.971 0.000 -14.426) 16.022======================= Grid point 252 (90/90) =======================q-point: (-0.50 -0.50 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 81Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.662 ( -4.918 -0.000 1.385) 5.110 2.662 ( 4.918 0.000 1.385) 5.110 2.738 ( -3.676 0.000 -5.803) 6.869 2.738 ( 3.676 0.000 -5.803) 6.869 3.064 ( -0.488 0.000 3.155) 3.192 3.064 ( 0.488 -0.000 3.155) 3.192 3.153 ( -0.877 -0.000 -4.646) 4.728 3.153 ( 0.877 0.000 -4.646) 4.728 4.007 ( -2.059 0.000 1.924) 2.818 4.007 ( 2.059 0.000 1.924) 2.818 4.034 ( -1.136 0.000 -1.085) 1.571 4.034 ( 1.136 0.000 -1.085) 1.571 4.491 ( -3.967 0.000 7.029) 8.071 4.491 ( 3.967 0.000 7.029) 8.071 4.636 ( -3.397 0.000 -5.771) 6.696 4.636 ( 3.397 -0.000 -5.771) 6.696 4.973 ( -1.266 0.000 6.132) 6.261 4.973 ( 1.266 0.000 6.132) 6.261 5.096 ( -1.497 -0.000 -3.865) 4.145 5.096 ( 1.497 -0.000 -3.865) 4.145 5.835 ( -8.822 0.000 9.007) 12.608 5.835 ( 8.822 0.000 9.007) 12.608 5.989 ( -6.740 0.000 -5.136) 8.474 5.989 ( 6.740 0.000 -5.136) 8.474 6.397 ( -5.302 0.000 2.734) 5.965 6.397 ( 5.302 0.000 2.734) 5.965 6.489 ( -0.968 0.000 -4.919) 5.013 6.489 ( 0.968 0.000 -4.919) 5.013 7.563 ( -3.541 0.000 6.933) 7.785 7.563 ( 3.541 0.000 6.933) 7.785 7.714 ( -2.062 0.000 -7.068) 7.362 7.714 ( 2.062 0.000 -7.068) 7.362 8.384 ( -1.896 -0.000 10.719) 10.886 8.384 ( 1.896 0.000 10.719) 10.886 8.662 ( -3.020 0.000 -15.986) 16.269 8.662 ( 3.020 0.000 -15.986) 16.269 9.781 ( -3.852 0.000 1.430) 4.109 9.781 ( 3.852 0.000 1.430) 4.109 9.882 ( -2.160 -0.000 -8.655) 8.920 9.882 ( 2.160 0.000 -8.655) 8.920 10.321 ( -2.844 0.000 13.945) 14.232 10.321 ( 2.844 0.000 13.945) 14.232 10.565 ( -1.000 0.000 -9.089) 9.143 10.565 ( 1.000 0.000 -9.089) 9.143 10.990 ( -2.966 0.000 7.660) 8.214 10.990 ( 2.966 0.000 7.660) 8.214 11.149 ( -4.295 0.000 -7.621) 8.748 11.149 ( 4.295 0.000 -7.621) 8.748 12.126 ( -0.861 0.000 9.970) 10.007 12.126 ( 0.861 0.000 9.970) 10.007 12.351 ( -2.385 0.000 -10.358) 10.629 12.351 ( 2.385 0.000 -10.358) 10.629 12.636 ( -3.266 0.000 7.717) 8.380 12.636 ( 3.266 0.000 7.717) 8.380 12.764 ( -3.959 -0.000 -3.467) 5.262 12.764 ( 3.959 0.000 -3.467) 5.262 13.094 ( -6.351 0.000 4.621) 7.854 13.094 ( 6.351 0.000 4.621) 7.854 13.121 ( -4.934 0.000 2.656) 5.604 13.121 ( 4.934 0.000 2.656) 5.604 14.130 ( -0.938 0.000 -1.405) 1.690 14.130 ( 0.938 0.000 -1.405) 1.690 14.153 ( -3.865 0.000 -3.536) 5.238 14.153 ( 3.865 0.000 -3.536) 5.238 14.904 ( -0.430 -0.000 -0.871) 0.971 14.904 ( 0.430 0.000 -0.871) 0.971 14.934 ( -0.163 0.000 -3.585) 3.589 14.934 ( 0.163 0.000 -3.585) 3.589 19.353 ( -0.892 0.000 1.629) 1.857 19.353 ( 0.892 0.000 1.629) 1.857 19.381 ( -1.807 0.000 -0.984) 2.058 19.381 ( 1.807 0.000 -0.984) 2.058 20.055 ( -10.668 0.000 5.829) 12.157 20.055 ( 10.668 0.000 5.829) 12.157 20.138 ( -8.862 0.000 -1.830) 9.049 20.138 ( 8.862 0.000 -1.830) 9.049 21.472 ( -5.967 0.000 2.390) 6.428 21.472 ( 5.967 0.000 2.390) 6.428 21.561 ( -6.948 0.000 -5.928) 9.133 21.561 ( 6.948 0.000 -5.928) 9.133 22.707 ( -6.243 0.000 9.266) 11.173 22.707 ( 6.243 0.000 9.266) 11.173 22.933 ( -9.394 0.000 -12.462) 15.606 22.933 ( 9.394 0.000 -12.462) 15.606=================== 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 3/30240 10.0 1394.201 1243.033 1410.140 0.000 0.000 -0.000 3/30240 20.0 710.652 471.220 546.105 0.000 0.000 -0.000 3/30240 30.0 257.718 152.421 210.179 0.000 0.000 -0.000 3/30240 40.0 125.425 71.070 105.746 0.000 0.000 -0.000 3/30240 50.0 75.527 41.991 64.846 0.000 0.000 -0.000 3/30240 60.0 51.724 28.493 44.859 0.000 0.000 -0.000 3/30240 70.0 38.316 21.022 33.413 0.000 0.000 -0.000 3/30240 80.0 29.881 16.378 26.131 0.000 0.000 -0.000 3/30240 90.0 24.171 13.257 21.164 0.000 0.000 -0.000 3/30240 100.0 20.103 11.042 17.610 0.000 0.000 -0.000 3/30240 110.0 17.096 9.406 14.974 0.000 0.000 -0.000 3/30240 120.0 14.808 8.158 12.965 0.000 0.000 -0.000 3/30240 130.0 13.024 7.183 11.398 0.000 0.000 -0.000 3/30240 140.0 11.604 6.404 10.150 0.000 0.000 -0.000 3/30240 150.0 10.455 5.770 9.138 0.000 0.000 -0.000 3/30240 160.0 9.509 5.247 8.306 0.000 0.000 -0.000 3/30240 170.0 8.719 4.809 7.611 0.000 0.000 -0.000 3/30240 180.0 8.052 4.437 7.024 0.000 0.000 -0.000 3/30240 190.0 7.482 4.118 6.521 0.000 0.000 -0.000 3/30240 200.0 6.989 3.842 6.088 0.000 0.000 -0.000 3/30240 210.0 6.560 3.601 5.710 0.000 0.000 -0.000 3/30240 220.0 6.184 3.389 5.377 0.000 0.000 -0.000 3/30240 230.0 5.850 3.201 5.083 0.000 0.000 -0.000 3/30240 240.0 5.552 3.033 4.821 0.000 0.000 -0.000 3/30240 250.0 5.286 2.883 4.586 0.000 0.000 -0.000 3/30240 260.0 5.045 2.747 4.374 0.000 0.000 -0.000 3/30240 270.0 4.827 2.624 4.181 0.000 0.000 -0.000 3/30240 280.0 4.628 2.511 4.006 0.000 0.000 -0.000 3/30240 290.0 4.446 2.408 3.846 0.000 0.000 -0.000 3/30240 300.0 4.278 2.314 3.698 0.000 0.000 -0.000 3/30240 310.0 4.124 2.227 3.562 0.000 0.000 -0.000 3/30240 320.0 3.981 2.147 3.437 0.000 0.000 -0.000 3/30240 330.0 3.848 2.072 3.320 0.000 0.000 -0.000 3/30240 340.0 3.724 2.003 3.211 0.000 0.000 -0.000 3/30240 350.0 3.609 1.938 3.110 0.000 0.000 -0.000 3/30240 360.0 3.501 1.877 3.015 0.000 0.000 -0.000 3/30240 370.0 3.399 1.820 2.926 0.000 0.000 -0.000 3/30240 380.0 3.304 1.767 2.843 0.000 0.000 -0.000 3/30240 390.0 3.214 1.717 2.764 0.000 0.000 -0.000 3/30240 400.0 3.129 1.670 2.690 0.000 0.000 -0.000 3/30240 410.0 3.049 1.625 2.619 0.000 0.000 -0.000 3/30240 420.0 2.973 1.583 2.553 0.000 0.000 -0.000 3/30240 430.0 2.900 1.543 2.490 0.000 0.000 -0.000 3/30240 440.0 2.832 1.505 2.430 0.000 0.000 -0.000 3/30240 450.0 2.766 1.469 2.373 0.000 0.000 -0.000 3/30240 460.0 2.704 1.434 2.318 0.000 0.000 -0.000 3/30240 470.0 2.644 1.402 2.267 0.000 0.000 -0.000 3/30240 480.0 2.587 1.370 2.217 0.000 0.000 -0.000 3/30240 490.0 2.533 1.340 2.170 0.000 0.000 -0.000 3/30240 500.0 2.481 1.312 2.125 0.000 0.000 -0.000 3/30240 510.0 2.431 1.285 2.081 0.000 0.000 -0.000 3/30240 520.0 2.383 1.258 2.040 0.000 0.000 -0.000 3/30240 530.0 2.337 1.233 2.000 0.000 0.000 -0.000 3/30240 540.0 2.293 1.209 1.962 0.000 0.000 -0.000 3/30240 550.0 2.250 1.186 1.925 0.000 0.000 -0.000 3/30240 560.0 2.210 1.164 1.889 0.000 0.000 -0.000 3/30240 570.0 2.170 1.142 1.855 0.000 0.000 -0.000 3/30240 580.0 2.132 1.122 1.822 0.000 0.000 -0.000 3/30240 590.0 2.095 1.102 1.790 0.000 0.000 -0.000 3/30240 600.0 2.060 1.083 1.760 0.000 0.000 -0.000 3/30240 610.0 2.026 1.064 1.730 0.000 0.000 -0.000 3/30240 620.0 1.993 1.046 1.702 0.000 0.000 -0.000 3/30240 630.0 1.961 1.029 1.674 0.000 0.000 -0.000 3/30240 640.0 1.930 1.012 1.647 0.000 0.000 -0.000 3/30240 650.0 1.900 0.996 1.621 0.000 0.000 -0.000 3/30240 660.0 1.871 0.981 1.596 0.000 0.000 -0.000 3/30240 670.0 1.842 0.965 1.572 0.000 0.000 -0.000 3/30240 680.0 1.815 0.951 1.549 0.000 0.000 -0.000 3/30240 690.0 1.789 0.937 1.526 0.000 0.000 -0.000 3/30240 700.0 1.763 0.923 1.504 0.000 0.000 -0.000 3/30240 710.0 1.738 0.909 1.482 0.000 0.000 -0.000 3/30240 720.0 1.713 0.896 1.461 0.000 0.000 -0.000 3/30240 730.0 1.690 0.884 1.441 0.000 0.000 -0.000 3/30240 740.0 1.667 0.871 1.421 0.000 0.000 -0.000 3/30240 750.0 1.644 0.859 1.402 0.000 0.000 -0.000 3/30240 760.0 1.623 0.848 1.383 0.000 0.000 -0.000 3/30240 770.0 1.602 0.837 1.365 0.000 0.000 -0.000 3/30240 780.0 1.581 0.826 1.347 0.000 0.000 -0.000 3/30240 790.0 1.561 0.815 1.330 0.000 0.000 -0.000 3/30240 800.0 1.541 0.804 1.313 0.000 0.000 -0.000 3/30240 810.0 1.522 0.794 1.297 0.000 0.000 -0.000 3/30240 820.0 1.503 0.784 1.281 0.000 0.000 -0.000 3/30240 830.0 1.485 0.775 1.265 0.000 0.000 -0.000 3/30240 840.0 1.468 0.765 1.250 0.000 0.000 -0.000 3/30240 850.0 1.450 0.756 1.235 0.000 0.000 -0.000 3/30240 860.0 1.433 0.747 1.221 0.000 0.000 -0.000 3/30240 870.0 1.417 0.738 1.206 0.000 0.000 -0.000 3/30240 880.0 1.401 0.730 1.193 0.000 0.000 -0.000 3/30240 890.0 1.385 0.721 1.179 0.000 0.000 -0.000 3/30240 900.0 1.369 0.713 1.166 0.000 0.000 -0.000 3/30240 910.0 1.354 0.705 1.153 0.000 0.000 -0.000 3/30240 920.0 1.340 0.698 1.140 0.000 0.000 -0.000 3/30240 930.0 1.325 0.690 1.128 0.000 0.000 -0.000 3/30240 940.0 1.311 0.682 1.116 0.000 0.000 -0.000 3/30240 950.0 1.297 0.675 1.104 0.000 0.000 -0.000 3/30240 960.0 1.284 0.668 1.092 0.000 0.000 -0.000 3/30240 970.0 1.271 0.661 1.081 0.000 0.000 -0.000 3/30240 980.0 1.258 0.654 1.070 0.000 0.000 -0.000 3/30240 990.0 1.245 0.647 1.059 0.000 0.000 -0.000 3/30240 1000.0 1.232 0.641 1.048 0.000 0.000 -0.000 3/30240Thermal conductivity related properties were written into "kappa-m1049.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 13:06:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|