----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 15:12:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.744346250069926 0.000000000000000 0.000000000000000 b 0.000000000000000 10.960403549999999 0.000000000000000 c -3.748009725493043 0.000000000000000 10.853977957459215 Atomic positions (fractional): *1 Nd 0.52077092459588 0.39462071404810 0.28132008615205 144.242 2 Nd 0.52077092459588 0.10537928595190 0.78132008615205 144.242 *3 Nd 0.66641325916798 0.87836506848572 0.57206305449478 144.242 *4 Nd 0.97645684331075 0.91100631938024 0.19398714309425 144.242 5 Nd 0.02354315668925 0.41100631938024 0.30601285690576 144.242 6 Nd 0.33358674083202 0.12163493151428 0.42793694550522 144.242 7 Nd 0.97645684331075 0.58899368061976 0.69398714309425 144.242 8 Nd 0.66641325916798 0.62163493151428 0.07206305449478 144.242 *9 Nd 0.16619177926352 0.62040968956599 0.09020896057624 144.242 10 Nd 0.16619177926352 0.87959031043401 0.59020896057624 144.242 11 Nd 0.47922907540412 0.60537928595190 0.71867991384795 144.242 12 Nd 0.33358674083202 0.37836506848572 0.92793694550522 144.242 13 Nd 0.47922907540412 0.89462071404810 0.21867991384795 144.242 14 Nd 0.02354315668925 0.08899368061976 0.80601285690575 144.242 15 Nd 0.83380822073648 0.37959031043400 0.90979103942376 144.242 16 Nd 0.83380822073648 0.12040968956600 0.40979103942376 144.242 *17 Ga 0.21560722192272 0.18781443555654 0.12660880838257 69.723 *18 Ga 0.34473198419221 0.68456960459276 0.38617903936190 69.723 19 Ga 0.34473198419221 0.81543039540724 0.88617903936190 69.723 20 Ga 0.65526801580779 0.31543039540724 0.61382096063810 69.723 21 Ga 0.65526801580779 0.18456960459276 0.11382096063810 69.723 22 Ga 0.21560722192272 0.31218556444346 0.62660880838257 69.723 23 Ga 0.78439277807728 0.68781443555654 0.37339119161743 69.723 24 Ga 0.78439277807728 0.81218556444346 0.87339119161743 69.723 *25 O 0.56901137194013 0.75062539002828 0.38898008324994 15.999 *26 O 0.63903003243045 0.22847396236715 0.95816535843853 15.999 *27 O 0.21553829770026 0.77639870636820 0.25140539476604 15.999 *28 O 0.92296825740819 0.00597214473578 0.60448251717935 15.999 *29 O 0.43110940920195 0.50987820321369 0.10152982308589 15.999 *30 O 0.70472088393523 0.03030322456047 0.17956488479373 15.999 *31 O 0.76504445315219 0.77529236900106 0.23140166741173 15.999 *32 O 0.77841687810911 0.52836961423181 0.32756207195494 15.999 33 O 0.70472088393523 0.46969677543953 0.67956488479373 15.999 34 O 0.07703174259181 0.50597214473578 0.89551748282065 15.999 35 O 0.21553829770026 0.72360129363180 0.75140539476604 15.999 36 O 0.23495554684781 0.27529236900106 0.26859833258827 15.999 37 O 0.63903003243045 0.27152603763285 0.45816535843853 15.999 38 O 0.76504445315219 0.72470763099894 0.73140166741173 15.999 39 O 0.43110940920195 0.99012179678631 0.60152982308589 15.999 *40 O 0.92949421310126 0.73302481821788 0.52601328731744 15.999 41 O 0.22158312189089 0.47163038576819 0.67243792804506 15.999 42 O 0.92949421310126 0.76697518178212 0.02601328731744 15.999 43 O 0.77841687810911 0.97163038576819 0.82756207195494 15.999 44 O 0.36096996756955 0.77152603763285 0.04183464156147 15.999 45 O 0.56901137194013 0.74937460997172 0.88898008324995 15.999 46 O 0.07703174259181 0.99402785526422 0.39551748282065 15.999 47 O 0.36096996756955 0.72847396236715 0.54183464156147 15.999 48 O 0.56889059079806 0.00987820321369 0.39847017691411 15.999 49 O 0.07050578689874 0.26697518178212 0.47398671268256 15.999 50 O 0.07050578689874 0.23302481821788 0.97398671268256 15.999 51 O 0.29527911606477 0.96969677543953 0.82043511520627 15.999 52 O 0.78446170229974 0.27639870636820 0.24859460523396 15.999 53 O 0.23495554684781 0.22470763099894 0.76859833258827 15.999 54 O 0.22158312189089 0.02836961423181 0.17243792804506 15.999 55 O 0.78446170229974 0.22360129363180 0.74859460523396 15.999 56 O 0.29527911606477 0.53030322456047 0.32043511520627 15.999 57 O 0.92296825740819 0.49402785526422 0.10448251717935 15.999 58 O 0.43098862805987 0.24937460997172 0.61101991675005 15.999 59 O 0.43098862805987 0.25062539002828 0.11101991675006 15.999 60 O 0.56889059079806 0.49012179678631 0.89847017691411 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.744346250069926 0.000000000000000 0.000000000000000 b 0.000000000000000 10.960403549999999 0.000000000000000 c -3.748009725493043 0.000000000000000 10.853977957459215 Atomic positions (fractional): *1 Nd 0.52077092459588 0.39462071404810 0.28132008615205 144.242 > 1 2 Nd 0.52077092459588 0.10537928595190 0.78132008615205 144.242 > 2 *3 Nd 0.66641325916798 0.87836506848572 0.57206305449478 144.242 > 3 *4 Nd 0.97645684331075 0.91100631938024 0.19398714309425 144.242 > 4 5 Nd 0.02354315668925 0.41100631938024 0.30601285690576 144.242 > 5 6 Nd 0.33358674083202 0.12163493151428 0.42793694550522 144.242 > 6 7 Nd 0.97645684331075 0.58899368061976 0.69398714309425 144.242 > 7 8 Nd 0.66641325916798 0.62163493151428 0.07206305449478 144.242 > 8 *9 Nd 0.16619177926352 0.62040968956599 0.09020896057624 144.242 > 9 10 Nd 0.16619177926352 0.87959031043401 0.59020896057624 144.242 > 10 11 Nd 0.47922907540412 0.60537928595190 0.71867991384795 144.242 > 11 12 Nd 0.33358674083202 0.37836506848572 0.92793694550522 144.242 > 12 13 Nd 0.47922907540412 0.89462071404810 0.21867991384795 144.242 > 13 14 Nd 0.02354315668925 0.08899368061976 0.80601285690575 144.242 > 14 15 Nd 0.83380822073648 0.37959031043400 0.90979103942376 144.242 > 15 16 Nd 0.83380822073648 0.12040968956600 0.40979103942376 144.242 > 16 *17 Ga 0.21560722192272 0.18781443555654 0.12660880838257 69.723 > 17 *18 Ga 0.34473198419221 0.68456960459276 0.38617903936190 69.723 > 18 19 Ga 0.34473198419221 0.81543039540724 0.88617903936190 69.723 > 19 20 Ga 0.65526801580779 0.31543039540724 0.61382096063810 69.723 > 20 21 Ga 0.65526801580779 0.18456960459276 0.11382096063810 69.723 > 21 22 Ga 0.21560722192272 0.31218556444346 0.62660880838257 69.723 > 22 23 Ga 0.78439277807728 0.68781443555654 0.37339119161743 69.723 > 23 24 Ga 0.78439277807728 0.81218556444346 0.87339119161743 69.723 > 24 *25 O 0.56901137194013 0.75062539002828 0.38898008324994 15.999 > 25 *26 O 0.63903003243045 0.22847396236715 0.95816535843853 15.999 > 26 *27 O 0.21553829770026 0.77639870636820 0.25140539476604 15.999 > 27 *28 O 0.92296825740819 0.00597214473578 0.60448251717935 15.999 > 28 *29 O 0.43110940920195 0.50987820321369 0.10152982308589 15.999 > 29 *30 O 0.70472088393523 0.03030322456047 0.17956488479373 15.999 > 30 *31 O 0.76504445315219 0.77529236900106 0.23140166741173 15.999 > 31 *32 O 0.77841687810911 0.52836961423181 0.32756207195494 15.999 > 32 33 O 0.70472088393523 0.46969677543953 0.67956488479373 15.999 > 33 34 O 0.07703174259181 0.50597214473578 0.89551748282065 15.999 > 34 35 O 0.21553829770026 0.72360129363180 0.75140539476604 15.999 > 35 36 O 0.23495554684781 0.27529236900106 0.26859833258827 15.999 > 36 37 O 0.63903003243045 0.27152603763285 0.45816535843853 15.999 > 37 38 O 0.76504445315219 0.72470763099894 0.73140166741173 15.999 > 38 39 O 0.43110940920195 0.99012179678631 0.60152982308589 15.999 > 39 *40 O 0.92949421310126 0.73302481821788 0.52601328731744 15.999 > 40 41 O 0.22158312189089 0.47163038576819 0.67243792804506 15.999 > 41 42 O 0.92949421310126 0.76697518178212 0.02601328731744 15.999 > 42 43 O 0.77841687810911 0.97163038576819 0.82756207195494 15.999 > 43 44 O 0.36096996756955 0.77152603763285 0.04183464156147 15.999 > 44 45 O 0.56901137194013 0.74937460997172 0.88898008324995 15.999 > 45 46 O 0.07703174259181 0.99402785526422 0.39551748282065 15.999 > 46 47 O 0.36096996756955 0.72847396236715 0.54183464156147 15.999 > 47 48 O 0.56889059079806 0.00987820321369 0.39847017691411 15.999 > 48 49 O 0.07050578689874 0.26697518178212 0.47398671268256 15.999 > 49 50 O 0.07050578689874 0.23302481821788 0.97398671268256 15.999 > 50 51 O 0.29527911606477 0.96969677543953 0.82043511520627 15.999 > 51 52 O 0.78446170229974 0.27639870636820 0.24859460523396 15.999 > 52 53 O 0.23495554684781 0.22470763099894 0.76859833258827 15.999 > 53 54 O 0.22158312189089 0.02836961423181 0.17243792804506 15.999 > 54 55 O 0.78446170229974 0.22360129363180 0.74859460523396 15.999 > 55 56 O 0.29527911606477 0.53030322456047 0.32043511520627 15.999 > 56 57 O 0.92296825740819 0.49402785526422 0.10448251717935 15.999 > 57 58 O 0.43098862805987 0.24937460997172 0.61101991675005 15.999 > 58 59 O 0.43098862805987 0.25062539002828 0.11101991675006 15.999 > 59 60 O 0.56889059079806 0.49012179678631 0.89847017691411 15.999 > 60 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.488692500139852 0.000000000000000 0.000000000000000 b 0.000000000000000 10.960403549999999 0.000000000000000 c -3.748009725493043 0.000000000000000 10.853977957459215 Atomic positions (fractional): *1 Nd 0.26038546229794 0.39462071404810 0.28132008615205 144.242 > 1 2 Nd 0.76038546229794 0.39462071404810 0.28132008615205 144.242 > 1 3 Nd 0.26038546229794 0.10537928595190 0.78132008615205 144.242 > 2 4 Nd 0.76038546229794 0.10537928595190 0.78132008615205 144.242 > 2 *5 Nd 0.33320662958399 0.87836506848572 0.57206305449478 144.242 > 3 6 Nd 0.83320662958399 0.87836506848572 0.57206305449478 144.242 > 3 *7 Nd 0.48822842165538 0.91100631938024 0.19398714309425 144.242 > 4 8 Nd 0.98822842165538 0.91100631938024 0.19398714309425 144.242 > 4 9 Nd 0.01177157834462 0.41100631938024 0.30601285690576 144.242 > 5 10 Nd 0.51177157834462 0.41100631938024 0.30601285690576 144.242 > 5 11 Nd 0.16679337041601 0.12163493151428 0.42793694550522 144.242 > 6 12 Nd 0.66679337041601 0.12163493151428 0.42793694550522 144.242 > 6 13 Nd 0.48822842165538 0.58899368061976 0.69398714309425 144.242 > 7 14 Nd 0.98822842165538 0.58899368061976 0.69398714309425 144.242 > 7 15 Nd 0.33320662958399 0.62163493151428 0.07206305449478 144.242 > 8 16 Nd 0.83320662958399 0.62163493151428 0.07206305449478 144.242 > 8 *17 Nd 0.08309588963176 0.62040968956599 0.09020896057624 144.242 > 9 18 Nd 0.58309588963176 0.62040968956599 0.09020896057624 144.242 > 9 19 Nd 0.08309588963176 0.87959031043401 0.59020896057624 144.242 > 10 20 Nd 0.58309588963176 0.87959031043401 0.59020896057624 144.242 > 10 21 Nd 0.23961453770206 0.60537928595190 0.71867991384795 144.242 > 11 22 Nd 0.73961453770206 0.60537928595190 0.71867991384795 144.242 > 11 23 Nd 0.16679337041601 0.37836506848572 0.92793694550522 144.242 > 12 24 Nd 0.66679337041601 0.37836506848572 0.92793694550522 144.242 > 12 25 Nd 0.23961453770206 0.89462071404810 0.21867991384795 144.242 > 13 26 Nd 0.73961453770206 0.89462071404810 0.21867991384795 144.242 > 13 27 Nd 0.01177157834462 0.08899368061976 0.80601285690575 144.242 > 14 28 Nd 0.51177157834462 0.08899368061976 0.80601285690575 144.242 > 14 29 Nd 0.41690411036824 0.37959031043400 0.90979103942376 144.242 > 15 30 Nd 0.91690411036824 0.37959031043400 0.90979103942376 144.242 > 15 31 Nd 0.41690411036824 0.12040968956600 0.40979103942376 144.242 > 16 32 Nd 0.91690411036824 0.12040968956600 0.40979103942376 144.242 > 16 *33 Ga 0.10780361096136 0.18781443555654 0.12660880838257 69.723 > 17 34 Ga 0.60780361096136 0.18781443555654 0.12660880838257 69.723 > 17 *35 Ga 0.17236599209611 0.68456960459276 0.38617903936190 69.723 > 18 36 Ga 0.67236599209611 0.68456960459276 0.38617903936190 69.723 > 18 37 Ga 0.17236599209611 0.81543039540724 0.88617903936190 69.723 > 19 38 Ga 0.67236599209611 0.81543039540724 0.88617903936190 69.723 > 19 39 Ga 0.32763400790389 0.31543039540724 0.61382096063810 69.723 > 20 40 Ga 0.82763400790389 0.31543039540724 0.61382096063810 69.723 > 20 41 Ga 0.32763400790389 0.18456960459276 0.11382096063810 69.723 > 21 42 Ga 0.82763400790389 0.18456960459276 0.11382096063810 69.723 > 21 43 Ga 0.10780361096136 0.31218556444346 0.62660880838257 69.723 > 22 44 Ga 0.60780361096136 0.31218556444346 0.62660880838257 69.723 > 22 45 Ga 0.39219638903864 0.68781443555654 0.37339119161743 69.723 > 23 46 Ga 0.89219638903864 0.68781443555654 0.37339119161743 69.723 > 23 47 Ga 0.39219638903864 0.81218556444346 0.87339119161743 69.723 > 24 48 Ga 0.89219638903864 0.81218556444346 0.87339119161743 69.723 > 24 *49 O 0.28450568597006 0.75062539002828 0.38898008324994 15.999 > 25 50 O 0.78450568597006 0.75062539002828 0.38898008324994 15.999 > 25 *51 O 0.31951501621523 0.22847396236715 0.95816535843853 15.999 > 26 52 O 0.81951501621523 0.22847396236715 0.95816535843853 15.999 > 26 *53 O 0.10776914885013 0.77639870636820 0.25140539476604 15.999 > 27 54 O 0.60776914885013 0.77639870636820 0.25140539476604 15.999 > 27 *55 O 0.46148412870409 0.00597214473578 0.60448251717935 15.999 > 28 56 O 0.96148412870409 0.00597214473578 0.60448251717935 15.999 > 28 *57 O 0.21555470460097 0.50987820321369 0.10152982308589 15.999 > 29 58 O 0.71555470460097 0.50987820321369 0.10152982308589 15.999 > 29 *59 O 0.35236044196762 0.03030322456047 0.17956488479373 15.999 > 30 60 O 0.85236044196762 0.03030322456047 0.17956488479373 15.999 > 30 *61 O 0.38252222657609 0.77529236900106 0.23140166741173 15.999 > 31 62 O 0.88252222657609 0.77529236900106 0.23140166741173 15.999 > 31 *63 O 0.38920843905455 0.52836961423181 0.32756207195494 15.999 > 32 64 O 0.88920843905455 0.52836961423181 0.32756207195494 15.999 > 32 65 O 0.35236044196762 0.46969677543953 0.67956488479373 15.999 > 33 66 O 0.85236044196762 0.46969677543953 0.67956488479373 15.999 > 33 67 O 0.03851587129591 0.50597214473578 0.89551748282065 15.999 > 34 68 O 0.53851587129591 0.50597214473578 0.89551748282065 15.999 > 34 69 O 0.10776914885013 0.72360129363180 0.75140539476604 15.999 > 35 70 O 0.60776914885013 0.72360129363180 0.75140539476604 15.999 > 35 71 O 0.11747777342391 0.27529236900106 0.26859833258827 15.999 > 36 72 O 0.61747777342391 0.27529236900106 0.26859833258827 15.999 > 36 73 O 0.31951501621523 0.27152603763285 0.45816535843853 15.999 > 37 74 O 0.81951501621523 0.27152603763285 0.45816535843853 15.999 > 37 75 O 0.38252222657609 0.72470763099894 0.73140166741173 15.999 > 38 76 O 0.88252222657609 0.72470763099894 0.73140166741173 15.999 > 38 77 O 0.21555470460097 0.99012179678631 0.60152982308589 15.999 > 39 78 O 0.71555470460097 0.99012179678631 0.60152982308589 15.999 > 39 *79 O 0.46474710655063 0.73302481821788 0.52601328731744 15.999 > 40 80 O 0.96474710655063 0.73302481821788 0.52601328731744 15.999 > 40 81 O 0.11079156094545 0.47163038576819 0.67243792804506 15.999 > 41 82 O 0.61079156094545 0.47163038576819 0.67243792804506 15.999 > 41 83 O 0.46474710655063 0.76697518178212 0.02601328731744 15.999 > 42 84 O 0.96474710655063 0.76697518178212 0.02601328731744 15.999 > 42 85 O 0.38920843905455 0.97163038576819 0.82756207195494 15.999 > 43 86 O 0.88920843905455 0.97163038576819 0.82756207195494 15.999 > 43 87 O 0.18048498378477 0.77152603763285 0.04183464156147 15.999 > 44 88 O 0.68048498378477 0.77152603763285 0.04183464156147 15.999 > 44 89 O 0.28450568597006 0.74937460997172 0.88898008324995 15.999 > 45 90 O 0.78450568597006 0.74937460997172 0.88898008324995 15.999 > 45 91 O 0.03851587129591 0.99402785526422 0.39551748282065 15.999 > 46 92 O 0.53851587129591 0.99402785526422 0.39551748282065 15.999 > 46 93 O 0.18048498378477 0.72847396236715 0.54183464156147 15.999 > 47 94 O 0.68048498378477 0.72847396236715 0.54183464156147 15.999 > 47 95 O 0.28444529539903 0.00987820321369 0.39847017691411 15.999 > 48 96 O 0.78444529539903 0.00987820321369 0.39847017691411 15.999 > 48 97 O 0.03525289344937 0.26697518178212 0.47398671268256 15.999 > 49 98 O 0.53525289344937 0.26697518178212 0.47398671268256 15.999 > 49 99 O 0.03525289344937 0.23302481821788 0.97398671268256 15.999 > 50 100 O 0.53525289344937 0.23302481821788 0.97398671268256 15.999 > 50 101 O 0.14763955803238 0.96969677543953 0.82043511520627 15.999 > 51 102 O 0.64763955803238 0.96969677543953 0.82043511520627 15.999 > 51 103 O 0.39223085114987 0.27639870636820 0.24859460523396 15.999 > 52 104 O 0.89223085114987 0.27639870636820 0.24859460523396 15.999 > 52 105 O 0.11747777342391 0.22470763099894 0.76859833258827 15.999 > 53 106 O 0.61747777342391 0.22470763099894 0.76859833258827 15.999 > 53 107 O 0.11079156094545 0.02836961423181 0.17243792804506 15.999 > 54 108 O 0.61079156094545 0.02836961423181 0.17243792804506 15.999 > 54 109 O 0.39223085114987 0.22360129363180 0.74859460523396 15.999 > 55 110 O 0.89223085114987 0.22360129363180 0.74859460523396 15.999 > 55 111 O 0.14763955803238 0.53030322456047 0.32043511520627 15.999 > 56 112 O 0.64763955803238 0.53030322456047 0.32043511520627 15.999 > 56 113 O 0.46148412870409 0.49402785526422 0.10448251717935 15.999 > 57 114 O 0.96148412870409 0.49402785526422 0.10448251717935 15.999 > 57 115 O 0.21549431402994 0.24937460997172 0.61101991675005 15.999 > 58 116 O 0.71549431402994 0.24937460997172 0.61101991675005 15.999 > 58 117 O 0.21549431402994 0.25062539002828 0.11101991675006 15.999 > 59 118 O 0.71549431402994 0.25062539002828 0.11101991675006 15.999 > 59 119 O 0.28444529539903 0.49012179678631 0.89847017691411 15.999 > 60 120 O 0.78444529539903 0.49012179678631 0.89847017691411 15.999 > 60 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0201281 0.0000000 0.0301955 0.0000000 4.0552508 0.0000000 0.0301945 0.0000000 3.9792550 -------------------------- Born effective charges -------------------------- 1 Nd 3.8845147 0.0185447 0.0633109 0.0057993 4.0574527 -0.4970293 0.1471043 -0.6286237 3.7997871 2 Nd 3.8845147 -0.0185447 0.0633109 -0.0057993 4.0574527 0.4970293 0.1471043 0.6286237 3.7997871 3 Nd 3.9164355 -0.0864305 0.0731136 -0.0860512 3.8309046 -0.2559505 0.0719384 -0.2224713 3.7787555 4 Nd 4.6032623 -0.0211222 0.0312217 -0.0417422 4.0506303 0.6958963 -0.0442995 0.7607248 3.5118844 5 Nd 4.6032623 0.0211222 0.0312217 0.0417422 4.0506303 -0.6958963 -0.0442995 -0.7607248 3.5118844 6 Nd 3.9164355 -0.0864305 0.0731136 -0.0860512 3.8309046 -0.2559505 0.0719384 -0.2224713 3.7787555 7 Nd 4.6032623 0.0211222 0.0312217 0.0417422 4.0506303 -0.6958963 -0.0442995 -0.7607248 3.5118844 8 Nd 3.9164355 0.0864305 0.0731136 0.0860512 3.8309046 0.2559505 0.0719384 0.2224713 3.7787555 9 Nd 4.3264229 -0.0958914 0.0185246 -0.0852905 3.9307092 0.4068358 0.0279163 0.3000437 3.3499572 10 Nd 4.3264229 0.0958914 0.0185246 0.0852905 3.9307092 -0.4068358 0.0279163 -0.3000437 3.3499572 11 Nd 3.8845147 0.0185447 0.0633109 0.0057993 4.0574527 -0.4970293 0.1471043 -0.6286237 3.7997871 12 Nd 3.9164355 0.0864305 0.0731136 0.0860512 3.8309046 0.2559505 0.0719384 0.2224713 3.7787555 13 Nd 3.8845147 -0.0185447 0.0633109 -0.0057993 4.0574527 0.4970293 0.1471043 0.6286237 3.7997871 14 Nd 4.6032623 -0.0211222 0.0312217 -0.0417422 4.0506303 0.6958963 -0.0442995 0.7607248 3.5118844 15 Nd 4.3264229 -0.0958914 0.0185246 -0.0852905 3.9307092 0.4068358 0.0279163 0.3000437 3.3499572 16 Nd 4.3264229 0.0958914 0.0185246 0.0852905 3.9307092 -0.4068358 0.0279163 -0.3000437 3.3499572 17 Ga 2.2373030 0.2494120 0.0017307 0.2874876 2.7897538 -0.2894684 0.0691357 -0.3496355 3.0142729 18 Ga 2.2217967 0.2464774 0.0278044 0.2779864 2.7426711 0.2522203 -0.0465361 0.3902487 3.1105028 19 Ga 2.2217967 -0.2464774 0.0278044 -0.2779864 2.7426711 -0.2522203 -0.0465361 -0.3902487 3.1105028 20 Ga 2.2217967 0.2464774 0.0278044 0.2779864 2.7426711 0.2522203 -0.0465361 0.3902487 3.1105028 21 Ga 2.2217967 -0.2464774 0.0278044 -0.2779864 2.7426711 -0.2522203 -0.0465361 -0.3902487 3.1105028 22 Ga 2.2373030 -0.2494120 0.0017307 -0.2874876 2.7897538 0.2894684 0.0691357 0.3496355 3.0142729 23 Ga 2.2373030 -0.2494120 0.0017307 -0.2874876 2.7897538 0.2894684 0.0691357 0.3496355 3.0142729 24 Ga 2.2373030 0.2494120 0.0017307 0.2874876 2.7897538 -0.2894684 0.0691357 -0.3496355 3.0142729 25 O -2.4835519 -0.0041376 0.0067119 0.0060663 -1.8747337 -0.1011663 -0.0095798 -0.1785078 -2.1140094 26 O -1.9945056 -0.2983754 0.3517727 -0.2217468 -2.1112811 -0.1942311 0.1846171 -0.1535792 -2.7818479 27 O -2.3528376 0.4429191 -0.3711256 0.3192927 -2.5313994 0.1000893 -0.1941772 -0.0777155 -2.1394066 28 O -2.6450144 -0.0595847 -0.0446168 -0.0006426 -2.2468519 -0.1867749 -0.0727633 -0.1350948 -2.6830444 29 O -2.7724639 -0.0829585 0.0488883 -0.0198880 -2.4334052 0.1245460 0.0404715 0.1735721 -2.5454722 30 O -2.2243013 0.0285707 0.0171664 0.1012736 -2.6722203 0.2988693 0.0092263 0.2431715 -1.8011556 31 O -2.3595486 -0.3674840 0.2984444 -0.2162034 -2.5321706 -0.0941547 0.1436676 -0.1902416 -2.2361837 32 O -2.2892903 0.0543050 -0.0800031 0.1234833 -2.7937095 -0.3344685 -0.0546448 -0.3284791 -1.7178028 33 O -2.2243013 -0.0285707 0.0171664 -0.1012736 -2.6722203 -0.2988693 0.0092263 -0.2431715 -1.8011556 34 O -2.6450144 0.0595847 -0.0446168 0.0006426 -2.2468519 0.1867749 -0.0727633 0.1350948 -2.6830444 35 O -2.3528376 -0.4429191 -0.3711256 -0.3192927 -2.5313994 -0.1000893 -0.1941772 0.0777155 -2.1394066 36 O -2.3595486 0.3674840 0.2984444 0.2162034 -2.5321706 0.0941547 0.1436676 0.1902416 -2.2361837 37 O -1.9945056 0.2983754 0.3517727 0.2217468 -2.1112811 0.1942311 0.1846171 0.1535792 -2.7818479 38 O -2.3595486 0.3674840 0.2984444 0.2162034 -2.5321706 0.0941547 0.1436676 0.1902416 -2.2361837 39 O -2.7724639 0.0829585 0.0488883 0.0198880 -2.4334052 -0.1245460 0.0404715 -0.1735721 -2.5454722 40 O -2.0682215 -0.3236899 -0.4429442 -0.2451661 -2.2063497 -0.0337044 -0.2720763 0.0511361 -2.5462374 41 O -2.2892903 0.0543050 -0.0800031 0.1234833 -2.7937095 -0.3344685 -0.0546448 -0.3284791 -1.7178028 42 O -2.0682215 0.3236899 -0.4429442 0.2451661 -2.2063497 0.0337044 -0.2720763 -0.0511361 -2.5462374 43 O -2.2892903 -0.0543050 -0.0800031 -0.1234833 -2.7937095 0.3344685 -0.0546448 0.3284791 -1.7178028 44 O -1.9945056 -0.2983754 0.3517727 -0.2217468 -2.1112811 -0.1942311 0.1846171 -0.1535792 -2.7818479 45 O -2.4835519 0.0041376 0.0067119 -0.0060663 -1.8747337 0.1011663 -0.0095798 0.1785078 -2.1140094 46 O -2.6450144 -0.0595847 -0.0446168 -0.0006426 -2.2468519 -0.1867749 -0.0727633 -0.1350948 -2.6830444 47 O -1.9945056 0.2983754 0.3517727 0.2217468 -2.1112811 0.1942311 0.1846171 0.1535792 -2.7818479 48 O -2.7724639 0.0829585 0.0488883 0.0198880 -2.4334052 -0.1245460 0.0404715 -0.1735721 -2.5454722 49 O -2.0682215 -0.3236899 -0.4429442 -0.2451661 -2.2063497 -0.0337044 -0.2720763 0.0511361 -2.5462374 50 O -2.0682215 0.3236899 -0.4429442 0.2451661 -2.2063497 0.0337044 -0.2720763 -0.0511361 -2.5462374 51 O -2.2243013 0.0285707 0.0171664 0.1012736 -2.6722203 0.2988693 0.0092263 0.2431715 -1.8011556 52 O -2.3528376 -0.4429191 -0.3711256 -0.3192927 -2.5313994 -0.1000893 -0.1941772 0.0777155 -2.1394066 53 O -2.3595486 -0.3674840 0.2984444 -0.2162034 -2.5321706 -0.0941547 0.1436676 -0.1902416 -2.2361837 54 O -2.2892903 -0.0543050 -0.0800031 -0.1234833 -2.7937095 0.3344685 -0.0546448 0.3284791 -1.7178028 55 O -2.3528376 0.4429191 -0.3711256 0.3192927 -2.5313994 0.1000893 -0.1941772 -0.0777155 -2.1394066 56 O -2.2243013 -0.0285707 0.0171664 -0.1012736 -2.6722203 -0.2988693 0.0092263 -0.2431715 -1.8011556 57 O -2.6450144 0.0595847 -0.0446168 0.0006426 -2.2468519 0.1867749 -0.0727633 0.1350948 -2.6830444 58 O -2.4835519 -0.0041376 0.0067119 0.0060663 -1.8747337 -0.1011663 -0.0095798 -0.1785078 -2.1140094 59 O -2.4835519 0.0041376 0.0067119 -0.0060663 -1.8747337 0.1011663 -0.0095798 0.1785078 -2.1140094 60 O -2.7724639 -0.0829585 0.0488883 -0.0198880 -2.4334052 0.1245460 0.0404715 0.1735721 -2.5454722 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 32580/32580 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 8280 Number of blocks in projector: 8280 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 1800 / 1800 (1) 275 eigenvectors found. (1) Complementary block size: 114 (1) Compute compressed projector. (1) Use standard solver. (1) 84 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 1800 / 1800 (1) 275 eigenvectors found. (1) Complementary block size: 114 (1) Compute compressed projector. (1) Use standard solver. (1) 84 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1800 / 1800 (1) 287 eigenvectors found. (1) Complementary block size: 86 (1) Compute compressed projector. (1) Use standard solver. (1) 57 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. Tree of FC basis block matrices: - (8280, 8146), data: False |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1800, 1771), data: False |-- (1800, 57), data: (1800, 86) @ (86, 57) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (500, 471), data: False |-- (500, 27), data: (500, 56) @ (56, 27) |-- (250, 223), data: True |-- (250, 221), data: True |-- (1800, 1770), data: False |-- (1800, 84), data: (1800, 114) @ (114, 84) |-- (300, 275), data: True |-- (500, 471), data: False |-- (500, 23), data: (500, 52) @ (52, 23) |-- (250, 223), data: True |-- (250, 225), data: True |-- (500, 470), data: False |-- (500, 20), data: (500, 50) @ (50, 20) |-- (250, 220), data: True |-- (250, 230), data: True |-- (500, 470), data: False |-- (500, 24), data: (500, 54) @ (54, 24) |-- (250, 226), data: True |-- (250, 220), data: True |-- (1800, 1770), data: False |-- (1800, 84), data: (1800, 114) @ (114, 84) |-- (300, 275), data: True |-- (500, 471), data: False |-- (500, 23), data: (500, 52) @ (52, 23) |-- (250, 223), data: True |-- (250, 225), data: True |-- (500, 470), data: False |-- (500, 20), data: (500, 50) @ (50, 20) |-- (250, 220), data: True |-- (250, 230), data: True |-- (500, 470), data: False |-- (500, 24), data: (500, 54) @ (54, 24) |-- (250, 226), data: True |-- (250, 220), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 100 / 1840 - Time: 5.295 Solver_block: 200 / 1840 - Time: 5.134 Solver_block: 300 / 1840 - Time: 6.402 Solver_block: 400 / 1840 - Time: 5.049 Solver_block: 500 / 1840 - Time: 4.608 Solver_block: 600 / 1840 - Time: 5.122 Solver_block: 700 / 1840 - Time: 4.918 Solver_block: 800 / 1840 - Time: 4.407 Solver_block: 900 / 1840 - Time: 4.945 Solver_block: 1000 / 1840 - Time: 4.805 Solver_block: 1100 / 1840 - Time: 4.617 Solver_block: 1200 / 1840 - Time: 4.799 Solver_block: 1300 / 1840 - Time: 4.841 Solver_block: 1400 / 1840 - Time: 4.555 Solver_block: 1500 / 1840 - Time: 4.884 Solver_block: 1600 / 1840 - Time: 4.699 Solver_block: 1700 / 1840 - Time: 4.678 Solver_block: 1800 / 1840 - Time: 5.646 Solver_block: 1840 / 1840 - Time: 1.972 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 93.964 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 360/360 Permutation basis: 32580/32580 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 8280 Number of blocks in projector: 8280 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 1800 / 1800 (1) 275 eigenvectors found. (1) Complementary block size: 114 (1) Compute compressed projector. (1) Use standard solver. (1) 84 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 1800 / 1800 (1) 275 eigenvectors found. (1) Complementary block size: 114 (1) Compute compressed projector. (1) Use standard solver. (1) 84 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1800 / 1800 (1) 287 eigenvectors found. (1) Complementary block size: 86 (1) Compute compressed projector. (1) Use standard solver. (1) 57 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. Tree of FC basis block matrices: - (8280, 8146), data: False |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1800, 1771), data: False |-- (1800, 57), data: (1800, 86) @ (86, 57) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (500, 471), data: False |-- (500, 27), data: (500, 56) @ (56, 27) |-- (250, 223), data: True |-- (250, 221), data: True |-- (1800, 1770), data: False |-- (1800, 84), data: (1800, 114) @ (114, 84) |-- (300, 275), data: True |-- (500, 471), data: False |-- (500, 23), data: (500, 52) @ (52, 23) |-- (250, 223), data: True |-- (250, 225), data: True |-- (500, 470), data: False |-- (500, 20), data: (500, 50) @ (50, 20) |-- (250, 220), data: True |-- (250, 230), data: True |-- (500, 470), data: False |-- (500, 24), data: (500, 54) @ (54, 24) |-- (250, 226), data: True |-- (250, 220), data: True |-- (1800, 1770), data: False |-- (1800, 84), data: (1800, 114) @ (114, 84) |-- (300, 275), data: True |-- (500, 471), data: False |-- (500, 23), data: (500, 52) @ (52, 23) |-- (250, 223), data: True |-- (250, 225), data: True |-- (500, 470), data: False |-- (500, 20), data: (500, 50) @ (50, 20) |-- (250, 220), data: True |-- (250, 230), data: True |-- (500, 470), data: False |-- (500, 24), data: (500, 54) @ (54, 24) |-- (250, 226), data: True |-- (250, 220), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 15:16:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 15:16:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.744346250069926 0.000000000000000 0.000000000000000 b 0.000000000000000 10.960403549999999 0.000000000000000 c -3.748009725493043 0.000000000000000 10.853977957459215 Atomic positions (fractional): 1 Nd 0.52077092459588 0.39462071404810 0.28132008615205 144.242 2 Nd 0.52077092459588 0.10537928595190 0.78132008615205 144.242 3 Nd 0.66641325916798 0.87836506848572 0.57206305449478 144.242 4 Nd 0.97645684331075 0.91100631938024 0.19398714309425 144.242 5 Nd 0.02354315668925 0.41100631938024 0.30601285690576 144.242 6 Nd 0.33358674083202 0.12163493151428 0.42793694550522 144.242 7 Nd 0.97645684331075 0.58899368061976 0.69398714309425 144.242 8 Nd 0.66641325916798 0.62163493151428 0.07206305449478 144.242 9 Nd 0.16619177926352 0.62040968956599 0.09020896057624 144.242 10 Nd 0.16619177926352 0.87959031043401 0.59020896057624 144.242 11 Nd 0.47922907540412 0.60537928595190 0.71867991384795 144.242 12 Nd 0.33358674083202 0.37836506848572 0.92793694550522 144.242 13 Nd 0.47922907540412 0.89462071404810 0.21867991384795 144.242 14 Nd 0.02354315668925 0.08899368061976 0.80601285690575 144.242 15 Nd 0.83380822073648 0.37959031043400 0.90979103942376 144.242 16 Nd 0.83380822073648 0.12040968956600 0.40979103942376 144.242 17 Ga 0.21560722192272 0.18781443555654 0.12660880838257 69.723 18 Ga 0.34473198419221 0.68456960459276 0.38617903936190 69.723 19 Ga 0.34473198419221 0.81543039540724 0.88617903936190 69.723 20 Ga 0.65526801580779 0.31543039540724 0.61382096063810 69.723 21 Ga 0.65526801580779 0.18456960459276 0.11382096063810 69.723 22 Ga 0.21560722192272 0.31218556444346 0.62660880838257 69.723 23 Ga 0.78439277807728 0.68781443555654 0.37339119161743 69.723 24 Ga 0.78439277807728 0.81218556444346 0.87339119161743 69.723 25 O 0.56901137194013 0.75062539002828 0.38898008324994 15.999 26 O 0.63903003243045 0.22847396236715 0.95816535843853 15.999 27 O 0.21553829770026 0.77639870636820 0.25140539476604 15.999 28 O 0.92296825740819 0.00597214473578 0.60448251717935 15.999 29 O 0.43110940920195 0.50987820321369 0.10152982308589 15.999 30 O 0.70472088393523 0.03030322456047 0.17956488479373 15.999 31 O 0.76504445315219 0.77529236900106 0.23140166741173 15.999 32 O 0.77841687810911 0.52836961423181 0.32756207195494 15.999 33 O 0.70472088393523 0.46969677543953 0.67956488479373 15.999 34 O 0.07703174259181 0.50597214473578 0.89551748282065 15.999 35 O 0.21553829770026 0.72360129363180 0.75140539476604 15.999 36 O 0.23495554684781 0.27529236900106 0.26859833258827 15.999 37 O 0.63903003243045 0.27152603763285 0.45816535843853 15.999 38 O 0.76504445315219 0.72470763099894 0.73140166741173 15.999 39 O 0.43110940920195 0.99012179678631 0.60152982308589 15.999 40 O 0.92949421310126 0.73302481821788 0.52601328731744 15.999 41 O 0.22158312189089 0.47163038576819 0.67243792804506 15.999 42 O 0.92949421310126 0.76697518178212 0.02601328731744 15.999 43 O 0.77841687810911 0.97163038576819 0.82756207195494 15.999 44 O 0.36096996756955 0.77152603763285 0.04183464156147 15.999 45 O 0.56901137194013 0.74937460997172 0.88898008324995 15.999 46 O 0.07703174259181 0.99402785526422 0.39551748282065 15.999 47 O 0.36096996756955 0.72847396236715 0.54183464156147 15.999 48 O 0.56889059079806 0.00987820321369 0.39847017691411 15.999 49 O 0.07050578689874 0.26697518178212 0.47398671268256 15.999 50 O 0.07050578689874 0.23302481821788 0.97398671268256 15.999 51 O 0.29527911606477 0.96969677543953 0.82043511520627 15.999 52 O 0.78446170229974 0.27639870636820 0.24859460523396 15.999 53 O 0.23495554684781 0.22470763099894 0.76859833258827 15.999 54 O 0.22158312189089 0.02836961423181 0.17243792804506 15.999 55 O 0.78446170229974 0.22360129363180 0.74859460523396 15.999 56 O 0.29527911606477 0.53030322456047 0.32043511520627 15.999 57 O 0.92296825740819 0.49402785526422 0.10448251717935 15.999 58 O 0.43098862805987 0.24937460997172 0.61101991675005 15.999 59 O 0.43098862805987 0.25062539002828 0.11101991675006 15.999 60 O 0.56889059079806 0.49012179678631 0.89847017691411 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.488692500139852 0.000000000000000 0.000000000000000 b 0.000000000000000 10.960403549999999 0.000000000000000 c -3.748009725493043 0.000000000000000 10.853977957459215 Atomic positions (fractional): 1 Nd 0.26038546229794 0.39462071404810 0.28132008615205 144.242 > 1 2 Nd 0.76038546229794 0.39462071404810 0.28132008615205 144.242 > 1 3 Nd 0.26038546229794 0.10537928595190 0.78132008615205 144.242 > 3 4 Nd 0.76038546229794 0.10537928595190 0.78132008615205 144.242 > 3 5 Nd 0.33320662958399 0.87836506848572 0.57206305449478 144.242 > 5 6 Nd 0.83320662958399 0.87836506848572 0.57206305449478 144.242 > 5 7 Nd 0.48822842165538 0.91100631938024 0.19398714309425 144.242 > 7 8 Nd 0.98822842165538 0.91100631938024 0.19398714309425 144.242 > 7 9 Nd 0.01177157834462 0.41100631938024 0.30601285690576 144.242 > 9 10 Nd 0.51177157834462 0.41100631938024 0.30601285690576 144.242 > 9 11 Nd 0.16679337041601 0.12163493151428 0.42793694550522 144.242 > 11 12 Nd 0.66679337041601 0.12163493151428 0.42793694550522 144.242 > 11 13 Nd 0.48822842165538 0.58899368061976 0.69398714309425 144.242 > 13 14 Nd 0.98822842165538 0.58899368061976 0.69398714309425 144.242 > 13 15 Nd 0.33320662958399 0.62163493151428 0.07206305449478 144.242 > 15 16 Nd 0.83320662958399 0.62163493151428 0.07206305449478 144.242 > 15 17 Nd 0.08309588963176 0.62040968956599 0.09020896057624 144.242 > 17 18 Nd 0.58309588963176 0.62040968956599 0.09020896057624 144.242 > 17 19 Nd 0.08309588963176 0.87959031043401 0.59020896057624 144.242 > 19 20 Nd 0.58309588963176 0.87959031043401 0.59020896057624 144.242 > 19 21 Nd 0.23961453770206 0.60537928595190 0.71867991384795 144.242 > 21 22 Nd 0.73961453770206 0.60537928595190 0.71867991384795 144.242 > 21 23 Nd 0.16679337041601 0.37836506848572 0.92793694550522 144.242 > 23 24 Nd 0.66679337041601 0.37836506848572 0.92793694550522 144.242 > 23 25 Nd 0.23961453770206 0.89462071404810 0.21867991384795 144.242 > 25 26 Nd 0.73961453770206 0.89462071404810 0.21867991384795 144.242 > 25 27 Nd 0.01177157834462 0.08899368061976 0.80601285690575 144.242 > 27 28 Nd 0.51177157834462 0.08899368061976 0.80601285690575 144.242 > 27 29 Nd 0.41690411036824 0.37959031043400 0.90979103942376 144.242 > 29 30 Nd 0.91690411036824 0.37959031043400 0.90979103942376 144.242 > 29 31 Nd 0.41690411036824 0.12040968956600 0.40979103942376 144.242 > 31 32 Nd 0.91690411036824 0.12040968956600 0.40979103942376 144.242 > 31 33 Ga 0.10780361096136 0.18781443555654 0.12660880838257 69.723 > 33 34 Ga 0.60780361096136 0.18781443555654 0.12660880838257 69.723 > 33 35 Ga 0.17236599209611 0.68456960459276 0.38617903936190 69.723 > 35 36 Ga 0.67236599209611 0.68456960459276 0.38617903936190 69.723 > 35 37 Ga 0.17236599209611 0.81543039540724 0.88617903936190 69.723 > 37 38 Ga 0.67236599209611 0.81543039540724 0.88617903936190 69.723 > 37 39 Ga 0.32763400790389 0.31543039540724 0.61382096063810 69.723 > 39 40 Ga 0.82763400790389 0.31543039540724 0.61382096063810 69.723 > 39 41 Ga 0.32763400790389 0.18456960459276 0.11382096063810 69.723 > 41 42 Ga 0.82763400790389 0.18456960459276 0.11382096063810 69.723 > 41 43 Ga 0.10780361096136 0.31218556444346 0.62660880838257 69.723 > 43 44 Ga 0.60780361096136 0.31218556444346 0.62660880838257 69.723 > 43 45 Ga 0.39219638903864 0.68781443555654 0.37339119161743 69.723 > 45 46 Ga 0.89219638903864 0.68781443555654 0.37339119161743 69.723 > 45 47 Ga 0.39219638903864 0.81218556444346 0.87339119161743 69.723 > 47 48 Ga 0.89219638903864 0.81218556444346 0.87339119161743 69.723 > 47 49 O 0.28450568597006 0.75062539002828 0.38898008324994 15.999 > 49 50 O 0.78450568597006 0.75062539002828 0.38898008324994 15.999 > 49 51 O 0.31951501621523 0.22847396236715 0.95816535843853 15.999 > 51 52 O 0.81951501621523 0.22847396236715 0.95816535843853 15.999 > 51 53 O 0.10776914885013 0.77639870636820 0.25140539476604 15.999 > 53 54 O 0.60776914885013 0.77639870636820 0.25140539476604 15.999 > 53 55 O 0.46148412870409 0.00597214473578 0.60448251717935 15.999 > 55 56 O 0.96148412870409 0.00597214473578 0.60448251717935 15.999 > 55 57 O 0.21555470460097 0.50987820321369 0.10152982308589 15.999 > 57 58 O 0.71555470460097 0.50987820321369 0.10152982308589 15.999 > 57 59 O 0.35236044196762 0.03030322456047 0.17956488479373 15.999 > 59 60 O 0.85236044196762 0.03030322456047 0.17956488479373 15.999 > 59 61 O 0.38252222657609 0.77529236900106 0.23140166741173 15.999 > 61 62 O 0.88252222657609 0.77529236900106 0.23140166741173 15.999 > 61 63 O 0.38920843905455 0.52836961423181 0.32756207195494 15.999 > 63 64 O 0.88920843905455 0.52836961423181 0.32756207195494 15.999 > 63 65 O 0.35236044196762 0.46969677543953 0.67956488479373 15.999 > 65 66 O 0.85236044196762 0.46969677543953 0.67956488479373 15.999 > 65 67 O 0.03851587129591 0.50597214473578 0.89551748282065 15.999 > 67 68 O 0.53851587129591 0.50597214473578 0.89551748282065 15.999 > 67 69 O 0.10776914885013 0.72360129363180 0.75140539476604 15.999 > 69 70 O 0.60776914885013 0.72360129363180 0.75140539476604 15.999 > 69 71 O 0.11747777342391 0.27529236900106 0.26859833258827 15.999 > 71 72 O 0.61747777342391 0.27529236900106 0.26859833258827 15.999 > 71 73 O 0.31951501621523 0.27152603763285 0.45816535843853 15.999 > 73 74 O 0.81951501621523 0.27152603763285 0.45816535843853 15.999 > 73 75 O 0.38252222657609 0.72470763099894 0.73140166741173 15.999 > 75 76 O 0.88252222657609 0.72470763099894 0.73140166741173 15.999 > 75 77 O 0.21555470460097 0.99012179678631 0.60152982308589 15.999 > 77 78 O 0.71555470460097 0.99012179678631 0.60152982308589 15.999 > 77 79 O 0.46474710655063 0.73302481821788 0.52601328731744 15.999 > 79 80 O 0.96474710655063 0.73302481821788 0.52601328731744 15.999 > 79 81 O 0.11079156094545 0.47163038576819 0.67243792804506 15.999 > 81 82 O 0.61079156094545 0.47163038576819 0.67243792804506 15.999 > 81 83 O 0.46474710655063 0.76697518178212 0.02601328731744 15.999 > 83 84 O 0.96474710655063 0.76697518178212 0.02601328731744 15.999 > 83 85 O 0.38920843905455 0.97163038576819 0.82756207195494 15.999 > 85 86 O 0.88920843905455 0.97163038576819 0.82756207195494 15.999 > 85 87 O 0.18048498378477 0.77152603763285 0.04183464156147 15.999 > 87 88 O 0.68048498378477 0.77152603763285 0.04183464156147 15.999 > 87 89 O 0.28450568597006 0.74937460997172 0.88898008324995 15.999 > 89 90 O 0.78450568597006 0.74937460997172 0.88898008324995 15.999 > 89 91 O 0.03851587129591 0.99402785526422 0.39551748282065 15.999 > 91 92 O 0.53851587129591 0.99402785526422 0.39551748282065 15.999 > 91 93 O 0.18048498378477 0.72847396236715 0.54183464156147 15.999 > 93 94 O 0.68048498378477 0.72847396236715 0.54183464156147 15.999 > 93 95 O 0.28444529539903 0.00987820321369 0.39847017691411 15.999 > 95 96 O 0.78444529539903 0.00987820321369 0.39847017691411 15.999 > 95 97 O 0.03525289344937 0.26697518178212 0.47398671268256 15.999 > 97 98 O 0.53525289344937 0.26697518178212 0.47398671268256 15.999 > 97 99 O 0.03525289344937 0.23302481821788 0.97398671268256 15.999 > 99 100 O 0.53525289344937 0.23302481821788 0.97398671268256 15.999 > 99 101 O 0.14763955803238 0.96969677543953 0.82043511520627 15.999 > 101 102 O 0.64763955803238 0.96969677543953 0.82043511520627 15.999 > 101 103 O 0.39223085114987 0.27639870636820 0.24859460523396 15.999 > 103 104 O 0.89223085114987 0.27639870636820 0.24859460523396 15.999 > 103 105 O 0.11747777342391 0.22470763099894 0.76859833258827 15.999 > 105 106 O 0.61747777342391 0.22470763099894 0.76859833258827 15.999 > 105 107 O 0.11079156094545 0.02836961423181 0.17243792804506 15.999 > 107 108 O 0.61079156094545 0.02836961423181 0.17243792804506 15.999 > 107 109 O 0.39223085114987 0.22360129363180 0.74859460523396 15.999 > 109 110 O 0.89223085114987 0.22360129363180 0.74859460523396 15.999 > 109 111 O 0.14763955803238 0.53030322456047 0.32043511520627 15.999 > 111 112 O 0.64763955803238 0.53030322456047 0.32043511520627 15.999 > 111 113 O 0.46148412870409 0.49402785526422 0.10448251717935 15.999 > 113 114 O 0.96148412870409 0.49402785526422 0.10448251717935 15.999 > 113 115 O 0.21549431402994 0.24937460997172 0.61101991675005 15.999 > 115 116 O 0.71549431402994 0.24937460997172 0.61101991675005 15.999 > 115 117 O 0.21549431402994 0.25062539002828 0.11101991675006 15.999 > 117 118 O 0.71549431402994 0.25062539002828 0.11101991675006 15.999 > 117 119 O 0.28444529539903 0.49012179678631 0.89847017691411 15.999 > 119 120 O 0.78444529539903 0.49012179678631 0.89847017691411 15.999 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0201281 0.0000000 0.0301955 0.0000000 4.0552508 0.0000000 0.0301945 0.0000000 3.9792550 -------------------------- Born effective charges -------------------------- 1 Nd 3.8845147 0.0185447 0.0633109 0.0057993 4.0574527 -0.4970293 0.1471043 -0.6286237 3.7997871 2 Nd 3.8845147 -0.0185447 0.0633109 -0.0057993 4.0574527 0.4970293 0.1471043 0.6286237 3.7997871 3 Nd 3.9164355 -0.0864305 0.0731136 -0.0860512 3.8309046 -0.2559505 0.0719384 -0.2224713 3.7787555 4 Nd 4.6032623 -0.0211222 0.0312217 -0.0417422 4.0506303 0.6958963 -0.0442995 0.7607248 3.5118844 5 Nd 4.6032623 0.0211222 0.0312217 0.0417422 4.0506303 -0.6958963 -0.0442995 -0.7607248 3.5118844 6 Nd 3.9164355 -0.0864305 0.0731136 -0.0860512 3.8309046 -0.2559505 0.0719384 -0.2224713 3.7787555 7 Nd 4.6032623 0.0211222 0.0312217 0.0417422 4.0506303 -0.6958963 -0.0442995 -0.7607248 3.5118844 8 Nd 3.9164355 0.0864305 0.0731136 0.0860512 3.8309046 0.2559505 0.0719384 0.2224713 3.7787555 9 Nd 4.3264229 -0.0958914 0.0185246 -0.0852905 3.9307092 0.4068358 0.0279163 0.3000437 3.3499572 10 Nd 4.3264229 0.0958914 0.0185246 0.0852905 3.9307092 -0.4068358 0.0279163 -0.3000437 3.3499572 11 Nd 3.8845147 0.0185447 0.0633109 0.0057993 4.0574527 -0.4970293 0.1471043 -0.6286237 3.7997871 12 Nd 3.9164355 0.0864305 0.0731136 0.0860512 3.8309046 0.2559505 0.0719384 0.2224713 3.7787555 13 Nd 3.8845147 -0.0185447 0.0633109 -0.0057993 4.0574527 0.4970293 0.1471043 0.6286237 3.7997871 14 Nd 4.6032623 -0.0211222 0.0312217 -0.0417422 4.0506303 0.6958963 -0.0442995 0.7607248 3.5118844 15 Nd 4.3264229 -0.0958914 0.0185246 -0.0852905 3.9307092 0.4068358 0.0279163 0.3000437 3.3499572 16 Nd 4.3264229 0.0958914 0.0185246 0.0852905 3.9307092 -0.4068358 0.0279163 -0.3000437 3.3499572 17 Ga 2.2373030 0.2494120 0.0017307 0.2874876 2.7897538 -0.2894684 0.0691357 -0.3496355 3.0142729 18 Ga 2.2217967 0.2464774 0.0278044 0.2779864 2.7426711 0.2522203 -0.0465361 0.3902487 3.1105028 19 Ga 2.2217967 -0.2464774 0.0278044 -0.2779864 2.7426711 -0.2522203 -0.0465361 -0.3902487 3.1105028 20 Ga 2.2217967 0.2464774 0.0278044 0.2779864 2.7426711 0.2522203 -0.0465361 0.3902487 3.1105028 21 Ga 2.2217967 -0.2464774 0.0278044 -0.2779864 2.7426711 -0.2522203 -0.0465361 -0.3902487 3.1105028 22 Ga 2.2373030 -0.2494120 0.0017307 -0.2874876 2.7897538 0.2894684 0.0691357 0.3496355 3.0142729 23 Ga 2.2373030 -0.2494120 0.0017307 -0.2874876 2.7897538 0.2894684 0.0691357 0.3496355 3.0142729 24 Ga 2.2373030 0.2494120 0.0017307 0.2874876 2.7897538 -0.2894684 0.0691357 -0.3496355 3.0142729 25 O -2.4835519 -0.0041376 0.0067119 0.0060663 -1.8747337 -0.1011663 -0.0095798 -0.1785078 -2.1140094 26 O -1.9945056 -0.2983754 0.3517727 -0.2217468 -2.1112811 -0.1942311 0.1846171 -0.1535792 -2.7818479 27 O -2.3528376 0.4429191 -0.3711256 0.3192927 -2.5313994 0.1000893 -0.1941772 -0.0777155 -2.1394066 28 O -2.6450144 -0.0595847 -0.0446168 -0.0006426 -2.2468519 -0.1867749 -0.0727633 -0.1350948 -2.6830444 29 O -2.7724639 -0.0829585 0.0488883 -0.0198880 -2.4334052 0.1245460 0.0404715 0.1735721 -2.5454722 30 O -2.2243013 0.0285707 0.0171664 0.1012736 -2.6722203 0.2988693 0.0092263 0.2431715 -1.8011556 31 O -2.3595486 -0.3674840 0.2984444 -0.2162034 -2.5321706 -0.0941547 0.1436676 -0.1902416 -2.2361837 32 O -2.2892903 0.0543050 -0.0800031 0.1234833 -2.7937095 -0.3344685 -0.0546448 -0.3284791 -1.7178028 33 O -2.2243013 -0.0285707 0.0171664 -0.1012736 -2.6722203 -0.2988693 0.0092263 -0.2431715 -1.8011556 34 O -2.6450144 0.0595847 -0.0446168 0.0006426 -2.2468519 0.1867749 -0.0727633 0.1350948 -2.6830444 35 O -2.3528376 -0.4429191 -0.3711256 -0.3192927 -2.5313994 -0.1000893 -0.1941772 0.0777155 -2.1394066 36 O -2.3595486 0.3674840 0.2984444 0.2162034 -2.5321706 0.0941547 0.1436676 0.1902416 -2.2361837 37 O -1.9945056 0.2983754 0.3517727 0.2217468 -2.1112811 0.1942311 0.1846171 0.1535792 -2.7818479 38 O -2.3595486 0.3674840 0.2984444 0.2162034 -2.5321706 0.0941547 0.1436676 0.1902416 -2.2361837 39 O -2.7724639 0.0829585 0.0488883 0.0198880 -2.4334052 -0.1245460 0.0404715 -0.1735721 -2.5454722 40 O -2.0682215 -0.3236899 -0.4429442 -0.2451661 -2.2063497 -0.0337044 -0.2720763 0.0511361 -2.5462374 41 O -2.2892903 0.0543050 -0.0800031 0.1234833 -2.7937095 -0.3344685 -0.0546448 -0.3284791 -1.7178028 42 O -2.0682215 0.3236899 -0.4429442 0.2451661 -2.2063497 0.0337044 -0.2720763 -0.0511361 -2.5462374 43 O -2.2892903 -0.0543050 -0.0800031 -0.1234833 -2.7937095 0.3344685 -0.0546448 0.3284791 -1.7178028 44 O -1.9945056 -0.2983754 0.3517727 -0.2217468 -2.1112811 -0.1942311 0.1846171 -0.1535792 -2.7818479 45 O -2.4835519 0.0041376 0.0067119 -0.0060663 -1.8747337 0.1011663 -0.0095798 0.1785078 -2.1140094 46 O -2.6450144 -0.0595847 -0.0446168 -0.0006426 -2.2468519 -0.1867749 -0.0727633 -0.1350948 -2.6830444 47 O -1.9945056 0.2983754 0.3517727 0.2217468 -2.1112811 0.1942311 0.1846171 0.1535792 -2.7818479 48 O -2.7724639 0.0829585 0.0488883 0.0198880 -2.4334052 -0.1245460 0.0404715 -0.1735721 -2.5454722 49 O -2.0682215 -0.3236899 -0.4429442 -0.2451661 -2.2063497 -0.0337044 -0.2720763 0.0511361 -2.5462374 50 O -2.0682215 0.3236899 -0.4429442 0.2451661 -2.2063497 0.0337044 -0.2720763 -0.0511361 -2.5462374 51 O -2.2243013 0.0285707 0.0171664 0.1012736 -2.6722203 0.2988693 0.0092263 0.2431715 -1.8011556 52 O -2.3528376 -0.4429191 -0.3711256 -0.3192927 -2.5313994 -0.1000893 -0.1941772 0.0777155 -2.1394066 53 O -2.3595486 -0.3674840 0.2984444 -0.2162034 -2.5321706 -0.0941547 0.1436676 -0.1902416 -2.2361837 54 O -2.2892903 -0.0543050 -0.0800031 -0.1234833 -2.7937095 0.3344685 -0.0546448 0.3284791 -1.7178028 55 O -2.3528376 0.4429191 -0.3711256 0.3192927 -2.5313994 0.1000893 -0.1941772 -0.0777155 -2.1394066 56 O -2.2243013 -0.0285707 0.0171664 -0.1012736 -2.6722203 -0.2988693 0.0092263 -0.2431715 -1.8011556 57 O -2.6450144 0.0595847 -0.0446168 0.0006426 -2.2468519 0.1867749 -0.0727633 0.1350948 -2.6830444 58 O -2.4835519 -0.0041376 0.0067119 0.0060663 -1.8747337 -0.1011663 -0.0095798 -0.1785078 -2.1140094 59 O -2.4835519 0.0041376 0.0067119 -0.0060663 -1.8747337 0.1011663 -0.0095798 0.1785078 -2.1140094 60 O -2.7724639 -0.0829585 0.0488883 -0.0198880 -2.4334052 0.1245460 0.0404715 0.1735721 -2.5454722 ---------------------------------------------------------------------------- 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] [-0.0033 0.0000 0.0095] [ 0.0033 0.0000 -0.0095] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0033 0.0000 0.0095] [ 0.0033 0.0000 -0.0095] Computing fc3[ 7, 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] [-0.0033 0.0000 0.0095] [ 0.0033 0.0000 -0.0095] 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] [-0.0033 0.0000 0.0095] [ 0.0033 0.0000 -0.0095] 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] [-0.0033 0.0000 0.0095] [ 0.0033 0.0000 -0.0095] Computing fc3[ 35, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0033 0.0000 0.0095] [ 0.0033 0.0000 -0.0095] 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] [-0.0033 0.0000 0.0095] [ 0.0033 0.0000 -0.0095] Computing fc3[ 51, 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] [-0.0033 0.0000 0.0095] [ 0.0033 0.0000 -0.0095] Computing fc3[ 53, 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] [-0.0033 0.0000 0.0095] [ 0.0033 0.0000 -0.0095] Computing fc3[ 55, 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] [-0.0033 0.0000 0.0095] [ 0.0033 0.0000 -0.0095] 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] [-0.0033 0.0000 0.0095] [ 0.0033 0.0000 -0.0095] Computing fc3[ 59, 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] [-0.0033 0.0000 0.0095] [ 0.0033 0.0000 -0.0095] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0033 0.0000 0.0095] [ 0.0033 0.0000 -0.0095] Computing fc3[ 63, 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] [-0.0033 0.0000 0.0095] [ 0.0033 0.0000 -0.0095] Computing fc3[ 79, 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] [-0.0033 0.0000 0.0095] [ 0.0033 0.0000 -0.0095] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 15:17:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 15:17:59]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.744346250069926 0.000000000000000 0.000000000000000 b 0.000000000000000 10.960403549999999 0.000000000000000 c -3.748009725493043 0.000000000000000 10.853977957459215 Atomic positions (fractional): 1 Nd 0.52077092459588 0.39462071404810 0.28132008615205 144.242 2 Nd 0.52077092459588 0.10537928595190 0.78132008615205 144.242 3 Nd 0.66641325916798 0.87836506848572 0.57206305449478 144.242 4 Nd 0.97645684331075 0.91100631938024 0.19398714309425 144.242 5 Nd 0.02354315668925 0.41100631938024 0.30601285690576 144.242 6 Nd 0.33358674083202 0.12163493151428 0.42793694550522 144.242 7 Nd 0.97645684331075 0.58899368061976 0.69398714309425 144.242 8 Nd 0.66641325916798 0.62163493151428 0.07206305449478 144.242 9 Nd 0.16619177926352 0.62040968956599 0.09020896057624 144.242 10 Nd 0.16619177926352 0.87959031043401 0.59020896057624 144.242 11 Nd 0.47922907540412 0.60537928595190 0.71867991384795 144.242 12 Nd 0.33358674083202 0.37836506848572 0.92793694550522 144.242 13 Nd 0.47922907540412 0.89462071404810 0.21867991384795 144.242 14 Nd 0.02354315668925 0.08899368061976 0.80601285690575 144.242 15 Nd 0.83380822073648 0.37959031043400 0.90979103942376 144.242 16 Nd 0.83380822073648 0.12040968956600 0.40979103942376 144.242 17 Ga 0.21560722192272 0.18781443555654 0.12660880838257 69.723 18 Ga 0.34473198419221 0.68456960459276 0.38617903936190 69.723 19 Ga 0.34473198419221 0.81543039540724 0.88617903936190 69.723 20 Ga 0.65526801580779 0.31543039540724 0.61382096063810 69.723 21 Ga 0.65526801580779 0.18456960459276 0.11382096063810 69.723 22 Ga 0.21560722192272 0.31218556444346 0.62660880838257 69.723 23 Ga 0.78439277807728 0.68781443555654 0.37339119161743 69.723 24 Ga 0.78439277807728 0.81218556444346 0.87339119161743 69.723 25 O 0.56901137194013 0.75062539002828 0.38898008324994 15.999 26 O 0.63903003243045 0.22847396236715 0.95816535843853 15.999 27 O 0.21553829770026 0.77639870636820 0.25140539476604 15.999 28 O 0.92296825740819 0.00597214473578 0.60448251717935 15.999 29 O 0.43110940920195 0.50987820321369 0.10152982308589 15.999 30 O 0.70472088393523 0.03030322456047 0.17956488479373 15.999 31 O 0.76504445315219 0.77529236900106 0.23140166741173 15.999 32 O 0.77841687810911 0.52836961423181 0.32756207195494 15.999 33 O 0.70472088393523 0.46969677543953 0.67956488479373 15.999 34 O 0.07703174259181 0.50597214473578 0.89551748282065 15.999 35 O 0.21553829770026 0.72360129363180 0.75140539476604 15.999 36 O 0.23495554684781 0.27529236900106 0.26859833258827 15.999 37 O 0.63903003243045 0.27152603763285 0.45816535843853 15.999 38 O 0.76504445315219 0.72470763099894 0.73140166741173 15.999 39 O 0.43110940920195 0.99012179678631 0.60152982308589 15.999 40 O 0.92949421310126 0.73302481821788 0.52601328731744 15.999 41 O 0.22158312189089 0.47163038576819 0.67243792804506 15.999 42 O 0.92949421310126 0.76697518178212 0.02601328731744 15.999 43 O 0.77841687810911 0.97163038576819 0.82756207195494 15.999 44 O 0.36096996756955 0.77152603763285 0.04183464156147 15.999 45 O 0.56901137194013 0.74937460997172 0.88898008324995 15.999 46 O 0.07703174259181 0.99402785526422 0.39551748282065 15.999 47 O 0.36096996756955 0.72847396236715 0.54183464156147 15.999 48 O 0.56889059079806 0.00987820321369 0.39847017691411 15.999 49 O 0.07050578689874 0.26697518178212 0.47398671268256 15.999 50 O 0.07050578689874 0.23302481821788 0.97398671268256 15.999 51 O 0.29527911606477 0.96969677543953 0.82043511520627 15.999 52 O 0.78446170229974 0.27639870636820 0.24859460523396 15.999 53 O 0.23495554684781 0.22470763099894 0.76859833258827 15.999 54 O 0.22158312189089 0.02836961423181 0.17243792804506 15.999 55 O 0.78446170229974 0.22360129363180 0.74859460523396 15.999 56 O 0.29527911606477 0.53030322456047 0.32043511520627 15.999 57 O 0.92296825740819 0.49402785526422 0.10448251717935 15.999 58 O 0.43098862805987 0.24937460997172 0.61101991675005 15.999 59 O 0.43098862805987 0.25062539002828 0.11101991675006 15.999 60 O 0.56889059079806 0.49012179678631 0.89847017691411 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.488692500139852 0.000000000000000 0.000000000000000 b 0.000000000000000 10.960403549999999 0.000000000000000 c -3.748009725493043 0.000000000000000 10.853977957459215 Atomic positions (fractional): 1 Nd 0.26038546229794 0.39462071404810 0.28132008615205 144.242 > 1 2 Nd 0.76038546229794 0.39462071404810 0.28132008615205 144.242 > 1 3 Nd 0.26038546229794 0.10537928595190 0.78132008615205 144.242 > 3 4 Nd 0.76038546229794 0.10537928595190 0.78132008615205 144.242 > 3 5 Nd 0.33320662958399 0.87836506848572 0.57206305449478 144.242 > 5 6 Nd 0.83320662958399 0.87836506848572 0.57206305449478 144.242 > 5 7 Nd 0.48822842165538 0.91100631938024 0.19398714309425 144.242 > 7 8 Nd 0.98822842165538 0.91100631938024 0.19398714309425 144.242 > 7 9 Nd 0.01177157834462 0.41100631938024 0.30601285690576 144.242 > 9 10 Nd 0.51177157834462 0.41100631938024 0.30601285690576 144.242 > 9 11 Nd 0.16679337041601 0.12163493151428 0.42793694550522 144.242 > 11 12 Nd 0.66679337041601 0.12163493151428 0.42793694550522 144.242 > 11 13 Nd 0.48822842165538 0.58899368061976 0.69398714309425 144.242 > 13 14 Nd 0.98822842165538 0.58899368061976 0.69398714309425 144.242 > 13 15 Nd 0.33320662958399 0.62163493151428 0.07206305449478 144.242 > 15 16 Nd 0.83320662958399 0.62163493151428 0.07206305449478 144.242 > 15 17 Nd 0.08309588963176 0.62040968956599 0.09020896057624 144.242 > 17 18 Nd 0.58309588963176 0.62040968956599 0.09020896057624 144.242 > 17 19 Nd 0.08309588963176 0.87959031043401 0.59020896057624 144.242 > 19 20 Nd 0.58309588963176 0.87959031043401 0.59020896057624 144.242 > 19 21 Nd 0.23961453770206 0.60537928595190 0.71867991384795 144.242 > 21 22 Nd 0.73961453770206 0.60537928595190 0.71867991384795 144.242 > 21 23 Nd 0.16679337041601 0.37836506848572 0.92793694550522 144.242 > 23 24 Nd 0.66679337041601 0.37836506848572 0.92793694550522 144.242 > 23 25 Nd 0.23961453770206 0.89462071404810 0.21867991384795 144.242 > 25 26 Nd 0.73961453770206 0.89462071404810 0.21867991384795 144.242 > 25 27 Nd 0.01177157834462 0.08899368061976 0.80601285690575 144.242 > 27 28 Nd 0.51177157834462 0.08899368061976 0.80601285690575 144.242 > 27 29 Nd 0.41690411036824 0.37959031043400 0.90979103942376 144.242 > 29 30 Nd 0.91690411036824 0.37959031043400 0.90979103942376 144.242 > 29 31 Nd 0.41690411036824 0.12040968956600 0.40979103942376 144.242 > 31 32 Nd 0.91690411036824 0.12040968956600 0.40979103942376 144.242 > 31 33 Ga 0.10780361096136 0.18781443555654 0.12660880838257 69.723 > 33 34 Ga 0.60780361096136 0.18781443555654 0.12660880838257 69.723 > 33 35 Ga 0.17236599209611 0.68456960459276 0.38617903936190 69.723 > 35 36 Ga 0.67236599209611 0.68456960459276 0.38617903936190 69.723 > 35 37 Ga 0.17236599209611 0.81543039540724 0.88617903936190 69.723 > 37 38 Ga 0.67236599209611 0.81543039540724 0.88617903936190 69.723 > 37 39 Ga 0.32763400790389 0.31543039540724 0.61382096063810 69.723 > 39 40 Ga 0.82763400790389 0.31543039540724 0.61382096063810 69.723 > 39 41 Ga 0.32763400790389 0.18456960459276 0.11382096063810 69.723 > 41 42 Ga 0.82763400790389 0.18456960459276 0.11382096063810 69.723 > 41 43 Ga 0.10780361096136 0.31218556444346 0.62660880838257 69.723 > 43 44 Ga 0.60780361096136 0.31218556444346 0.62660880838257 69.723 > 43 45 Ga 0.39219638903864 0.68781443555654 0.37339119161743 69.723 > 45 46 Ga 0.89219638903864 0.68781443555654 0.37339119161743 69.723 > 45 47 Ga 0.39219638903864 0.81218556444346 0.87339119161743 69.723 > 47 48 Ga 0.89219638903864 0.81218556444346 0.87339119161743 69.723 > 47 49 O 0.28450568597006 0.75062539002828 0.38898008324994 15.999 > 49 50 O 0.78450568597006 0.75062539002828 0.38898008324994 15.999 > 49 51 O 0.31951501621523 0.22847396236715 0.95816535843853 15.999 > 51 52 O 0.81951501621523 0.22847396236715 0.95816535843853 15.999 > 51 53 O 0.10776914885013 0.77639870636820 0.25140539476604 15.999 > 53 54 O 0.60776914885013 0.77639870636820 0.25140539476604 15.999 > 53 55 O 0.46148412870409 0.00597214473578 0.60448251717935 15.999 > 55 56 O 0.96148412870409 0.00597214473578 0.60448251717935 15.999 > 55 57 O 0.21555470460097 0.50987820321369 0.10152982308589 15.999 > 57 58 O 0.71555470460097 0.50987820321369 0.10152982308589 15.999 > 57 59 O 0.35236044196762 0.03030322456047 0.17956488479373 15.999 > 59 60 O 0.85236044196762 0.03030322456047 0.17956488479373 15.999 > 59 61 O 0.38252222657609 0.77529236900106 0.23140166741173 15.999 > 61 62 O 0.88252222657609 0.77529236900106 0.23140166741173 15.999 > 61 63 O 0.38920843905455 0.52836961423181 0.32756207195494 15.999 > 63 64 O 0.88920843905455 0.52836961423181 0.32756207195494 15.999 > 63 65 O 0.35236044196762 0.46969677543953 0.67956488479373 15.999 > 65 66 O 0.85236044196762 0.46969677543953 0.67956488479373 15.999 > 65 67 O 0.03851587129591 0.50597214473578 0.89551748282065 15.999 > 67 68 O 0.53851587129591 0.50597214473578 0.89551748282065 15.999 > 67 69 O 0.10776914885013 0.72360129363180 0.75140539476604 15.999 > 69 70 O 0.60776914885013 0.72360129363180 0.75140539476604 15.999 > 69 71 O 0.11747777342391 0.27529236900106 0.26859833258827 15.999 > 71 72 O 0.61747777342391 0.27529236900106 0.26859833258827 15.999 > 71 73 O 0.31951501621523 0.27152603763285 0.45816535843853 15.999 > 73 74 O 0.81951501621523 0.27152603763285 0.45816535843853 15.999 > 73 75 O 0.38252222657609 0.72470763099894 0.73140166741173 15.999 > 75 76 O 0.88252222657609 0.72470763099894 0.73140166741173 15.999 > 75 77 O 0.21555470460097 0.99012179678631 0.60152982308589 15.999 > 77 78 O 0.71555470460097 0.99012179678631 0.60152982308589 15.999 > 77 79 O 0.46474710655063 0.73302481821788 0.52601328731744 15.999 > 79 80 O 0.96474710655063 0.73302481821788 0.52601328731744 15.999 > 79 81 O 0.11079156094545 0.47163038576819 0.67243792804506 15.999 > 81 82 O 0.61079156094545 0.47163038576819 0.67243792804506 15.999 > 81 83 O 0.46474710655063 0.76697518178212 0.02601328731744 15.999 > 83 84 O 0.96474710655063 0.76697518178212 0.02601328731744 15.999 > 83 85 O 0.38920843905455 0.97163038576819 0.82756207195494 15.999 > 85 86 O 0.88920843905455 0.97163038576819 0.82756207195494 15.999 > 85 87 O 0.18048498378477 0.77152603763285 0.04183464156147 15.999 > 87 88 O 0.68048498378477 0.77152603763285 0.04183464156147 15.999 > 87 89 O 0.28450568597006 0.74937460997172 0.88898008324995 15.999 > 89 90 O 0.78450568597006 0.74937460997172 0.88898008324995 15.999 > 89 91 O 0.03851587129591 0.99402785526422 0.39551748282065 15.999 > 91 92 O 0.53851587129591 0.99402785526422 0.39551748282065 15.999 > 91 93 O 0.18048498378477 0.72847396236715 0.54183464156147 15.999 > 93 94 O 0.68048498378477 0.72847396236715 0.54183464156147 15.999 > 93 95 O 0.28444529539903 0.00987820321369 0.39847017691411 15.999 > 95 96 O 0.78444529539903 0.00987820321369 0.39847017691411 15.999 > 95 97 O 0.03525289344937 0.26697518178212 0.47398671268256 15.999 > 97 98 O 0.53525289344937 0.26697518178212 0.47398671268256 15.999 > 97 99 O 0.03525289344937 0.23302481821788 0.97398671268256 15.999 > 99 100 O 0.53525289344937 0.23302481821788 0.97398671268256 15.999 > 99 101 O 0.14763955803238 0.96969677543953 0.82043511520627 15.999 > 101 102 O 0.64763955803238 0.96969677543953 0.82043511520627 15.999 > 101 103 O 0.39223085114987 0.27639870636820 0.24859460523396 15.999 > 103 104 O 0.89223085114987 0.27639870636820 0.24859460523396 15.999 > 103 105 O 0.11747777342391 0.22470763099894 0.76859833258827 15.999 > 105 106 O 0.61747777342391 0.22470763099894 0.76859833258827 15.999 > 105 107 O 0.11079156094545 0.02836961423181 0.17243792804506 15.999 > 107 108 O 0.61079156094545 0.02836961423181 0.17243792804506 15.999 > 107 109 O 0.39223085114987 0.22360129363180 0.74859460523396 15.999 > 109 110 O 0.89223085114987 0.22360129363180 0.74859460523396 15.999 > 109 111 O 0.14763955803238 0.53030322456047 0.32043511520627 15.999 > 111 112 O 0.64763955803238 0.53030322456047 0.32043511520627 15.999 > 111 113 O 0.46148412870409 0.49402785526422 0.10448251717935 15.999 > 113 114 O 0.96148412870409 0.49402785526422 0.10448251717935 15.999 > 113 115 O 0.21549431402994 0.24937460997172 0.61101991675005 15.999 > 115 116 O 0.71549431402994 0.24937460997172 0.61101991675005 15.999 > 115 117 O 0.21549431402994 0.25062539002828 0.11101991675006 15.999 > 117 118 O 0.71549431402994 0.25062539002828 0.11101991675006 15.999 > 117 119 O 0.28444529539903 0.49012179678631 0.89847017691411 15.999 > 119 120 O 0.78444529539903 0.49012179678631 0.89847017691411 15.999 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.0201281 0.0000000 0.0301955 0.0000000 4.0552508 0.0000000 0.0301945 0.0000000 3.9792550 -------------------------- Born effective charges -------------------------- 1 Nd 3.8845147 0.0185447 0.0633109 0.0057993 4.0574527 -0.4970293 0.1471043 -0.6286237 3.7997871 2 Nd 3.8845147 -0.0185447 0.0633109 -0.0057993 4.0574527 0.4970293 0.1471043 0.6286237 3.7997871 3 Nd 3.9164355 -0.0864305 0.0731136 -0.0860512 3.8309046 -0.2559505 0.0719384 -0.2224713 3.7787555 4 Nd 4.6032623 -0.0211222 0.0312217 -0.0417422 4.0506303 0.6958963 -0.0442995 0.7607248 3.5118844 5 Nd 4.6032623 0.0211222 0.0312217 0.0417422 4.0506303 -0.6958963 -0.0442995 -0.7607248 3.5118844 6 Nd 3.9164355 -0.0864305 0.0731136 -0.0860512 3.8309046 -0.2559505 0.0719384 -0.2224713 3.7787555 7 Nd 4.6032623 0.0211222 0.0312217 0.0417422 4.0506303 -0.6958963 -0.0442995 -0.7607248 3.5118844 8 Nd 3.9164355 0.0864305 0.0731136 0.0860512 3.8309046 0.2559505 0.0719384 0.2224713 3.7787555 9 Nd 4.3264229 -0.0958914 0.0185246 -0.0852905 3.9307092 0.4068358 0.0279163 0.3000437 3.3499572 10 Nd 4.3264229 0.0958914 0.0185246 0.0852905 3.9307092 -0.4068358 0.0279163 -0.3000437 3.3499572 11 Nd 3.8845147 0.0185447 0.0633109 0.0057993 4.0574527 -0.4970293 0.1471043 -0.6286237 3.7997871 12 Nd 3.9164355 0.0864305 0.0731136 0.0860512 3.8309046 0.2559505 0.0719384 0.2224713 3.7787555 13 Nd 3.8845147 -0.0185447 0.0633109 -0.0057993 4.0574527 0.4970293 0.1471043 0.6286237 3.7997871 14 Nd 4.6032623 -0.0211222 0.0312217 -0.0417422 4.0506303 0.6958963 -0.0442995 0.7607248 3.5118844 15 Nd 4.3264229 -0.0958914 0.0185246 -0.0852905 3.9307092 0.4068358 0.0279163 0.3000437 3.3499572 16 Nd 4.3264229 0.0958914 0.0185246 0.0852905 3.9307092 -0.4068358 0.0279163 -0.3000437 3.3499572 17 Ga 2.2373030 0.2494120 0.0017307 0.2874876 2.7897538 -0.2894684 0.0691357 -0.3496355 3.0142729 18 Ga 2.2217967 0.2464774 0.0278044 0.2779864 2.7426711 0.2522203 -0.0465361 0.3902487 3.1105028 19 Ga 2.2217967 -0.2464774 0.0278044 -0.2779864 2.7426711 -0.2522203 -0.0465361 -0.3902487 3.1105028 20 Ga 2.2217967 0.2464774 0.0278044 0.2779864 2.7426711 0.2522203 -0.0465361 0.3902487 3.1105028 21 Ga 2.2217967 -0.2464774 0.0278044 -0.2779864 2.7426711 -0.2522203 -0.0465361 -0.3902487 3.1105028 22 Ga 2.2373030 -0.2494120 0.0017307 -0.2874876 2.7897538 0.2894684 0.0691357 0.3496355 3.0142729 23 Ga 2.2373030 -0.2494120 0.0017307 -0.2874876 2.7897538 0.2894684 0.0691357 0.3496355 3.0142729 24 Ga 2.2373030 0.2494120 0.0017307 0.2874876 2.7897538 -0.2894684 0.0691357 -0.3496355 3.0142729 25 O -2.4835519 -0.0041376 0.0067119 0.0060663 -1.8747337 -0.1011663 -0.0095798 -0.1785078 -2.1140094 26 O -1.9945056 -0.2983754 0.3517727 -0.2217468 -2.1112811 -0.1942311 0.1846171 -0.1535792 -2.7818479 27 O -2.3528376 0.4429191 -0.3711256 0.3192927 -2.5313994 0.1000893 -0.1941772 -0.0777155 -2.1394066 28 O -2.6450144 -0.0595847 -0.0446168 -0.0006426 -2.2468519 -0.1867749 -0.0727633 -0.1350948 -2.6830444 29 O -2.7724639 -0.0829585 0.0488883 -0.0198880 -2.4334052 0.1245460 0.0404715 0.1735721 -2.5454722 30 O -2.2243013 0.0285707 0.0171664 0.1012736 -2.6722203 0.2988693 0.0092263 0.2431715 -1.8011556 31 O -2.3595486 -0.3674840 0.2984444 -0.2162034 -2.5321706 -0.0941547 0.1436676 -0.1902416 -2.2361837 32 O -2.2892903 0.0543050 -0.0800031 0.1234833 -2.7937095 -0.3344685 -0.0546448 -0.3284791 -1.7178028 33 O -2.2243013 -0.0285707 0.0171664 -0.1012736 -2.6722203 -0.2988693 0.0092263 -0.2431715 -1.8011556 34 O -2.6450144 0.0595847 -0.0446168 0.0006426 -2.2468519 0.1867749 -0.0727633 0.1350948 -2.6830444 35 O -2.3528376 -0.4429191 -0.3711256 -0.3192927 -2.5313994 -0.1000893 -0.1941772 0.0777155 -2.1394066 36 O -2.3595486 0.3674840 0.2984444 0.2162034 -2.5321706 0.0941547 0.1436676 0.1902416 -2.2361837 37 O -1.9945056 0.2983754 0.3517727 0.2217468 -2.1112811 0.1942311 0.1846171 0.1535792 -2.7818479 38 O -2.3595486 0.3674840 0.2984444 0.2162034 -2.5321706 0.0941547 0.1436676 0.1902416 -2.2361837 39 O -2.7724639 0.0829585 0.0488883 0.0198880 -2.4334052 -0.1245460 0.0404715 -0.1735721 -2.5454722 40 O -2.0682215 -0.3236899 -0.4429442 -0.2451661 -2.2063497 -0.0337044 -0.2720763 0.0511361 -2.5462374 41 O -2.2892903 0.0543050 -0.0800031 0.1234833 -2.7937095 -0.3344685 -0.0546448 -0.3284791 -1.7178028 42 O -2.0682215 0.3236899 -0.4429442 0.2451661 -2.2063497 0.0337044 -0.2720763 -0.0511361 -2.5462374 43 O -2.2892903 -0.0543050 -0.0800031 -0.1234833 -2.7937095 0.3344685 -0.0546448 0.3284791 -1.7178028 44 O -1.9945056 -0.2983754 0.3517727 -0.2217468 -2.1112811 -0.1942311 0.1846171 -0.1535792 -2.7818479 45 O -2.4835519 0.0041376 0.0067119 -0.0060663 -1.8747337 0.1011663 -0.0095798 0.1785078 -2.1140094 46 O -2.6450144 -0.0595847 -0.0446168 -0.0006426 -2.2468519 -0.1867749 -0.0727633 -0.1350948 -2.6830444 47 O -1.9945056 0.2983754 0.3517727 0.2217468 -2.1112811 0.1942311 0.1846171 0.1535792 -2.7818479 48 O -2.7724639 0.0829585 0.0488883 0.0198880 -2.4334052 -0.1245460 0.0404715 -0.1735721 -2.5454722 49 O -2.0682215 -0.3236899 -0.4429442 -0.2451661 -2.2063497 -0.0337044 -0.2720763 0.0511361 -2.5462374 50 O -2.0682215 0.3236899 -0.4429442 0.2451661 -2.2063497 0.0337044 -0.2720763 -0.0511361 -2.5462374 51 O -2.2243013 0.0285707 0.0171664 0.1012736 -2.6722203 0.2988693 0.0092263 0.2431715 -1.8011556 52 O -2.3528376 -0.4429191 -0.3711256 -0.3192927 -2.5313994 -0.1000893 -0.1941772 0.0777155 -2.1394066 53 O -2.3595486 -0.3674840 0.2984444 -0.2162034 -2.5321706 -0.0941547 0.1436676 -0.1902416 -2.2361837 54 O -2.2892903 -0.0543050 -0.0800031 -0.1234833 -2.7937095 0.3344685 -0.0546448 0.3284791 -1.7178028 55 O -2.3528376 0.4429191 -0.3711256 0.3192927 -2.5313994 0.1000893 -0.1941772 -0.0777155 -2.1394066 56 O -2.2243013 -0.0285707 0.0171664 -0.1012736 -2.6722203 -0.2988693 0.0092263 -0.2431715 -1.8011556 57 O -2.6450144 0.0595847 -0.0446168 0.0006426 -2.2468519 0.1867749 -0.0727633 0.1350948 -2.6830444 58 O -2.4835519 -0.0041376 0.0067119 0.0060663 -1.8747337 -0.1011663 -0.0095798 -0.1785078 -2.1140094 59 O -2.4835519 0.0041376 0.0067119 -0.0060663 -1.8747337 0.1011663 -0.0095798 0.1785078 -2.1140094 60 O -2.7724639 -0.0829585 0.0488883 -0.0198880 -2.4334052 0.1245460 0.0404715 0.1735721 -2.5454722 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 5 5 ] 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: 0.43, Number of G-points: 303, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/54) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.479 ( 0.000 0.000 0.000) 0.000 1.663 ( 0.000 0.000 0.000) 0.000 1.720 ( 0.000 0.000 0.000) 0.000 1.886 ( 0.000 0.000 0.000) 0.000 1.935 ( 0.000 0.000 0.000) 0.000 2.020 ( 0.000 0.000 0.000) 0.000 2.102 ( 0.000 0.000 0.000) 0.000 2.103 ( 0.000 0.000 0.000) 0.000 2.372 ( 0.000 0.000 0.000) 0.000 2.488 ( 0.000 0.000 0.000) 0.000 2.552 ( 0.000 0.000 0.000) 0.000 2.563 ( 0.000 0.000 0.000) 0.000 2.628 ( 0.000 0.000 0.000) 0.000 2.726 ( 0.000 0.000 0.000) 0.000 2.811 ( 0.000 0.000 0.000) 0.000 2.868 ( 0.000 0.000 0.000) 0.000 2.870 ( 0.000 0.000 0.000) 0.000 2.875 ( 0.000 0.000 0.000) 0.000 2.993 ( 0.000 0.000 0.000) 0.000 3.088 ( 0.000 0.000 0.000) 0.000 3.120 ( 0.000 0.000 0.000) 0.000 3.135 ( 0.000 0.000 0.000) 0.000 3.181 ( 0.000 0.000 0.000) 0.000 3.226 ( 0.000 0.000 0.000) 0.000 3.259 ( 0.000 0.000 0.000) 0.000 3.306 ( 0.000 0.000 0.000) 0.000 3.357 ( 0.000 0.000 0.000) 0.000 3.368 ( 0.000 0.000 0.000) 0.000 3.420 ( 0.000 0.000 0.000) 0.000 3.452 ( 0.000 0.000 0.000) 0.000 3.555 ( 0.000 0.000 0.000) 0.000 3.604 ( 0.000 0.000 0.000) 0.000 3.634 ( 0.000 0.000 0.000) 0.000 3.744 ( 0.000 0.000 0.000) 0.000 3.940 ( 0.000 0.000 0.000) 0.000 3.940 ( 0.000 0.000 0.000) 0.000 4.007 ( 0.000 0.000 0.000) 0.000 4.047 ( 0.000 0.000 0.000) 0.000 4.087 ( 0.000 0.000 0.000) 0.000 4.207 ( 0.000 0.000 0.000) 0.000 4.227 ( 0.000 0.000 0.000) 0.000 4.390 ( 0.000 0.000 0.000) 0.000 4.435 ( 0.000 0.000 0.000) 0.000 4.457 ( 0.000 0.000 0.000) 0.000 4.581 ( 0.000 0.000 0.000) 0.000 4.646 ( 0.000 0.000 0.000) 0.000 4.704 ( 0.000 0.000 0.000) 0.000 4.804 ( 0.000 0.000 0.000) 0.000 4.872 ( 0.000 0.000 0.000) 0.000 4.999 ( 0.000 0.000 0.000) 0.000 5.030 ( 0.000 0.000 0.000) 0.000 5.213 ( 0.000 0.000 0.000) 0.000 5.219 ( 0.000 0.000 0.000) 0.000 5.266 ( 0.000 0.000 0.000) 0.000 5.396 ( 0.000 0.000 0.000) 0.000 5.397 ( 0.000 0.000 0.000) 0.000 5.420 ( 0.000 0.000 0.000) 0.000 5.637 ( 0.000 0.000 0.000) 0.000 5.692 ( 0.000 0.000 0.000) 0.000 5.768 ( 0.000 0.000 0.000) 0.000 5.901 ( 0.000 0.000 0.000) 0.000 5.939 ( 0.000 0.000 0.000) 0.000 5.970 ( 0.000 0.000 0.000) 0.000 6.099 ( 0.000 0.000 0.000) 0.000 6.168 ( 0.000 0.000 0.000) 0.000 6.229 ( 0.000 0.000 0.000) 0.000 6.460 ( 0.000 0.000 0.000) 0.000 6.463 ( 0.000 0.000 0.000) 0.000 6.491 ( 0.000 0.000 0.000) 0.000 6.609 ( 0.000 0.000 0.000) 0.000 6.636 ( 0.000 0.000 0.000) 0.000 6.681 ( 0.000 0.000 0.000) 0.000 6.737 ( 0.000 0.000 0.000) 0.000 6.880 ( 0.000 0.000 0.000) 0.000 6.885 ( 0.000 0.000 0.000) 0.000 7.011 ( 0.000 0.000 0.000) 0.000 7.056 ( 0.000 0.000 0.000) 0.000 7.129 ( 0.000 0.000 0.000) 0.000 7.176 ( 0.000 0.000 0.000) 0.000 7.462 ( 0.000 0.000 0.000) 0.000 7.523 ( 0.000 0.000 0.000) 0.000 7.707 ( 0.000 0.000 0.000) 0.000 7.725 ( 0.000 0.000 0.000) 0.000 7.901 ( 0.000 0.000 0.000) 0.000 8.015 ( 0.000 0.000 0.000) 0.000 8.052 ( 0.000 0.000 0.000) 0.000 8.136 ( 0.000 0.000 0.000) 0.000 8.515 ( 0.000 0.000 0.000) 0.000 8.588 ( 0.000 0.000 0.000) 0.000 8.599 ( 0.000 0.000 0.000) 0.000 8.756 ( 0.000 0.000 0.000) 0.000 8.758 ( 0.000 0.000 0.000) 0.000 8.776 ( 0.000 0.000 0.000) 0.000 8.815 ( 0.000 0.000 0.000) 0.000 8.965 ( 0.000 0.000 0.000) 0.000 9.059 ( 0.000 0.000 0.000) 0.000 9.218 ( 0.000 0.000 0.000) 0.000 9.339 ( 0.000 0.000 0.000) 0.000 9.440 ( 0.000 0.000 0.000) 0.000 9.533 ( 0.000 0.000 0.000) 0.000 9.547 ( 0.000 0.000 0.000) 0.000 9.613 ( 0.000 0.000 0.000) 0.000 9.640 ( 0.000 0.000 0.000) 0.000 9.709 ( 0.000 0.000 0.000) 0.000 9.722 ( 0.000 0.000 0.000) 0.000 9.928 ( 0.000 0.000 0.000) 0.000 9.943 ( 0.000 0.000 0.000) 0.000 10.057 ( 0.000 0.000 0.000) 0.000 10.070 ( 0.000 0.000 0.000) 0.000 10.081 ( 0.000 0.000 0.000) 0.000 10.144 ( 0.000 0.000 0.000) 0.000 10.362 ( 0.000 0.000 0.000) 0.000 10.460 ( 0.000 0.000 0.000) 0.000 10.526 ( 0.000 0.000 0.000) 0.000 10.608 ( 0.000 0.000 0.000) 0.000 10.717 ( 0.000 0.000 0.000) 0.000 10.749 ( 0.000 0.000 0.000) 0.000 10.784 ( 0.000 0.000 0.000) 0.000 10.807 ( 0.000 0.000 0.000) 0.000 10.906 ( 0.000 0.000 0.000) 0.000 10.963 ( 0.000 0.000 0.000) 0.000 10.970 ( 0.000 0.000 0.000) 0.000 11.303 ( 0.000 0.000 0.000) 0.000 11.377 ( 0.000 0.000 0.000) 0.000 11.486 ( 0.000 0.000 0.000) 0.000 11.566 ( 0.000 0.000 0.000) 0.000 11.569 ( 0.000 0.000 0.000) 0.000 11.682 ( 0.000 0.000 0.000) 0.000 11.898 ( 0.000 0.000 0.000) 0.000 11.944 ( 0.000 0.000 0.000) 0.000 11.958 ( 0.000 0.000 0.000) 0.000 11.984 ( 0.000 0.000 0.000) 0.000 12.327 ( 0.000 0.000 0.000) 0.000 12.711 ( 0.000 0.000 0.000) 0.000 12.982 ( 0.000 0.000 0.000) 0.000 12.984 ( 0.000 0.000 0.000) 0.000 13.038 ( 0.000 0.000 0.000) 0.000 13.794 ( 0.000 0.000 0.000) 0.000 13.888 ( 0.000 0.000 0.000) 0.000 14.067 ( 0.000 0.000 0.000) 0.000 14.272 ( 0.000 0.000 0.000) 0.000 14.434 ( 0.000 0.000 0.000) 0.000 14.441 ( 0.000 0.000 0.000) 0.000 14.775 ( 0.000 0.000 0.000) 0.000 14.865 ( 0.000 0.000 0.000) 0.000 14.881 ( 0.000 0.000 0.000) 0.000 15.100 ( 0.000 0.000 0.000) 0.000 15.156 ( 0.000 0.000 0.000) 0.000 15.502 ( 0.000 0.000 0.000) 0.000 17.181 ( 0.000 0.000 0.000) 0.000 17.246 ( 0.000 0.000 0.000) 0.000 17.324 ( 0.000 0.000 0.000) 0.000 17.410 ( 0.000 0.000 0.000) 0.000 17.647 ( 0.000 0.000 0.000) 0.000 17.939 ( 0.000 0.000 0.000) 0.000 18.604 ( 0.000 0.000 0.000) 0.000 18.632 ( 0.000 0.000 0.000) 0.000 18.707 ( 0.000 0.000 0.000) 0.000 18.955 ( 0.000 0.000 0.000) 0.000 19.033 ( 0.000 0.000 0.000) 0.000 19.374 ( 0.000 0.000 0.000) 0.000 19.392 ( 0.000 0.000 0.000) 0.000 19.615 ( 0.000 0.000 0.000) 0.000 19.675 ( 0.000 0.000 0.000) 0.000 19.854 ( 0.000 0.000 0.000) 0.000 19.875 ( 0.000 0.000 0.000) 0.000 20.573 ( 0.000 0.000 0.000) 0.000 20.767 ( 0.000 0.000 0.000) 0.000 20.790 ( 0.000 0.000 0.000) 0.000 20.974 ( 0.000 0.000 0.000) 0.000 20.978 ( 0.000 0.000 0.000) 0.000 21.191 ( 0.000 0.000 0.000) 0.000 21.622 ( 0.000 0.000 0.000) 0.000 22.403 ( 0.000 0.000 0.000) 0.000 22.462 ( 0.000 0.000 0.000) 0.000 22.483 ( 0.000 0.000 0.000) 0.000 22.525 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/54) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.529 ( 29.595 0.000 -2.328) 29.687 0.565 ( 26.464 0.000 12.073) 29.087 1.023 ( 39.810 0.000 16.546) 43.112 1.521 ( -7.222 0.000 -14.604) 16.292 1.547 ( 11.051 0.000 3.631) 11.633 1.732 ( -3.523 0.000 6.968) 7.808 1.898 ( 1.750 0.000 -11.413) 11.546 1.965 ( 5.325 0.000 -1.754) 5.606 2.051 ( 4.901 0.000 5.121) 7.088 2.209 ( 9.536 0.000 -4.716) 10.638 2.299 ( 10.040 0.000 8.354) 13.061 2.451 ( 1.772 0.000 -8.882) 9.057 2.521 ( -0.832 0.000 4.678) 4.752 2.556 ( 2.240 0.000 -1.773) 2.857 2.571 ( 3.335 0.000 -4.413) 5.532 2.647 ( -0.095 0.000 -3.750) 3.751 2.698 ( -1.803 0.000 2.056) 2.735 2.763 ( -2.679 0.000 -3.122) 4.114 2.817 ( -1.283 0.000 -3.884) 4.090 2.854 ( -0.300 0.000 -1.874) 1.898 2.866 ( -0.209 0.000 -4.870) 4.875 3.017 ( 1.991 0.000 0.122) 1.994 3.104 ( 0.400 0.000 0.047) 0.403 3.157 ( -0.019 0.000 1.887) 1.887 3.185 ( 0.118 0.000 7.372) 7.373 3.199 ( 3.296 0.000 -2.981) 4.444 3.232 ( -4.585 0.000 2.458) 5.202 3.272 ( -3.893 0.000 0.761) 3.967 3.288 ( -1.397 0.000 1.326) 1.926 3.356 ( 4.897 0.000 -4.197) 6.449 3.377 ( 0.883 0.000 3.842) 3.942 3.463 ( 1.678 0.000 0.548) 1.765 3.463 ( 6.196 0.000 2.019) 6.517 3.590 ( -8.760 0.000 2.203) 9.033 3.597 ( 1.644 0.000 4.347) 4.648 3.693 ( 4.802 0.000 0.269) 4.810 3.843 ( 1.262 0.000 -5.148) 5.301 3.945 ( 1.805 0.000 -6.002) 6.267 3.958 ( -1.969 0.000 4.462) 4.877 4.003 ( -2.887 0.000 0.017) 2.888 4.104 ( 7.545 0.000 -3.032) 8.131 4.106 ( -0.508 0.000 -3.283) 3.322 4.227 ( -1.491 0.000 3.492) 3.797 4.264 ( -5.321 0.000 2.387) 5.832 4.335 ( -3.286 0.000 -0.544) 3.331 4.422 ( -2.187 0.000 0.748) 2.311 4.493 ( 4.966 0.000 5.864) 7.684 4.635 ( 1.994 0.000 -7.185) 7.457 4.642 ( 7.417 0.000 -6.062) 9.579 4.750 ( 0.395 0.000 2.546) 2.576 4.807 ( -3.785 0.000 -1.187) 3.967 4.875 ( -2.433 0.000 -1.315) 2.766 4.890 ( 0.688 0.000 0.391) 0.791 5.006 ( -6.335 0.000 6.455) 9.044 5.194 ( -2.280 0.000 -4.784) 5.300 5.213 ( -0.820 0.000 1.249) 1.494 5.372 ( 4.045 0.000 9.203) 10.053 5.409 ( -3.257 0.000 6.141) 6.951 5.444 ( 2.831 0.000 0.463) 2.869 5.460 ( 2.266 0.000 -0.732) 2.382 5.621 ( -4.060 0.000 -2.512) 4.774 5.641 ( -3.610 0.000 -4.537) 5.798 5.803 ( -1.899 0.000 1.862) 2.660 5.870 ( -7.523 0.000 3.980) 8.511 5.883 ( -5.566 0.000 3.936) 6.817 5.913 ( -1.498 0.000 1.854) 2.384 6.080 ( -1.248 0.000 -1.512) 1.961 6.083 ( -8.286 0.000 2.359) 8.615 6.195 ( -3.108 0.000 -1.529) 3.464 6.328 ( -5.253 0.000 -7.955) 9.532 6.484 ( 1.128 0.000 -6.217) 6.318 6.531 ( 1.650 0.000 2.049) 2.631 6.656 ( -0.436 0.000 1.460) 1.524 6.656 ( -4.532 0.000 -2.049) 4.974 6.671 ( 3.859 0.000 4.252) 5.742 6.725 ( 1.240 0.000 -1.082) 1.645 6.864 ( -0.003 0.000 -2.624) 2.624 6.912 ( -0.258 0.000 5.238) 5.244 6.977 ( -1.434 0.000 -2.155) 2.589 6.993 ( 0.402 0.000 -2.881) 2.909 7.161 ( -0.082 0.000 -3.384) 3.385 7.335 ( 9.244 0.000 5.996) 11.018 7.451 ( -5.478 0.000 2.294) 5.938 7.527 ( 2.445 0.000 4.582) 5.193 7.831 ( 8.338 0.000 1.934) 8.560 7.872 ( 0.139 0.000 -0.114) 0.180 8.011 ( -0.498 0.000 -2.546) 2.594 8.053 ( 1.226 0.000 1.346) 1.821 8.098 ( -3.279 0.000 0.029) 3.279 8.202 ( 8.753 0.000 -5.841) 10.523 8.421 ( -6.049 0.000 -7.400) 9.558 8.442 ( -4.727 0.000 -2.242) 5.232 8.654 ( -1.831 0.000 -4.153) 4.538 8.773 ( 6.881 0.000 3.205) 7.590 8.829 ( 2.034 0.000 1.924) 2.800 8.867 ( 2.750 0.000 0.477) 2.791 8.981 ( 9.595 0.000 1.430) 9.701 9.020 ( 2.411 0.000 -0.095) 2.413 9.072 ( 4.248 0.000 -1.108) 4.390 9.158 ( -5.455 0.000 0.973) 5.541 9.391 ( -11.802 0.000 -2.654) 12.096 9.398 ( -1.010 0.000 -3.163) 3.320 9.530 ( -2.856 0.000 9.793) 10.201 9.565 ( 2.281 0.000 0.484) 2.332 9.713 ( 2.842 0.000 -2.808) 3.996 9.721 ( 0.501 0.000 -1.218) 1.317 9.758 ( 2.539 0.000 -0.499) 2.588 9.910 ( -0.585 0.000 -1.694) 1.792 9.974 ( 4.313 0.000 1.974) 4.743 10.055 ( 1.870 0.000 -6.395) 6.663 10.074 ( -0.069 0.000 -2.309) 2.310 10.083 ( -0.700 0.000 2.366) 2.467 10.186 ( 5.020 0.000 3.469) 6.102 10.357 ( -0.648 0.000 0.735) 0.980 10.438 ( -0.368 0.000 -2.335) 2.364 10.512 ( -0.651 0.000 -2.544) 2.626 10.575 ( -2.616 0.000 -2.124) 3.369 10.701 ( -2.105 0.000 1.092) 2.372 10.717 ( -2.778 0.000 -1.526) 3.169 10.790 ( -0.302 0.000 -6.093) 6.100 10.823 ( 2.289 0.000 3.633) 4.294 10.833 ( -2.654 0.000 5.334) 5.958 10.911 ( -1.179 0.000 0.591) 1.318 11.041 ( 2.399 0.000 1.644) 2.908 11.218 ( -3.007 0.000 -0.901) 3.139 11.383 ( -0.046 0.000 1.787) 1.788 11.436 ( 4.622 0.000 -16.006) 16.660 11.463 ( -6.450 0.000 -2.793) 7.029 11.578 ( 0.614 0.000 2.580) 2.652 11.740 ( 1.770 0.000 1.303) 2.198 11.843 ( -4.721 0.000 -0.138) 4.723 11.859 ( -5.006 0.000 -3.090) 5.883 12.008 ( -0.044 0.000 0.636) 0.638 12.011 ( 5.324 0.000 -0.965) 5.411 12.326 ( -0.230 0.000 0.235) 0.329 12.594 ( -1.988 0.000 -5.830) 6.159 12.984 ( -0.863 0.000 3.131) 3.248 12.986 ( 0.830 0.000 -1.957) 2.126 13.122 ( 8.478 0.000 -0.423) 8.489 13.699 ( 4.920 0.000 3.784) 6.207 13.883 ( -1.556 0.000 3.305) 3.652 13.970 ( -2.918 0.000 -12.415) 12.754 14.226 ( 9.652 0.000 -22.802) 24.761 14.247 ( -2.962 0.000 1.030) 3.136 14.422 ( 0.209 0.000 -5.411) 5.415 14.564 ( -11.408 0.000 35.996) 37.761 14.783 ( 0.709 0.000 0.507) 0.872 14.848 ( -1.352 0.000 -1.411) 1.954 14.933 ( 3.713 0.000 -3.841) 5.342 15.105 ( 0.540 0.000 0.130) 0.556 15.183 ( 2.451 0.000 0.783) 2.573 15.501 ( -0.168 0.000 0.199) 0.260 17.137 ( -2.977 0.000 -2.932) 4.178 17.368 ( 3.963 0.000 0.705) 4.025 17.389 ( -1.691 0.000 -3.052) 3.490 17.594 ( 2.405 0.000 -7.278) 7.665 17.779 ( 11.860 0.000 -5.709) 13.162 17.986 ( 5.821 0.000 -2.732) 6.431 18.660 ( 2.676 0.000 -0.173) 2.682 18.699 ( -0.537 0.000 -0.516) 0.745 18.928 ( 12.718 0.000 -20.341) 23.989 18.929 ( -1.998 0.000 -1.592) 2.555 19.373 ( -0.056 0.000 1.303) 1.304 19.396 ( 5.860 0.000 -11.246) 12.681 19.442 ( 2.662 0.000 3.271) 4.217 19.604 ( -1.375 0.000 0.970) 1.683 19.823 ( -2.654 0.000 -1.072) 2.862 19.864 ( -1.507 0.000 1.329) 2.009 20.316 ( -20.466 0.000 67.732) 70.756 20.489 ( -7.663 0.000 1.744) 7.859 20.706 ( -6.221 0.000 -0.717) 6.262 20.772 ( -0.920 0.000 -1.539) 1.793 20.896 ( -5.649 0.000 -7.051) 9.035 21.016 ( 2.367 0.000 2.212) 3.239 21.155 ( -3.459 0.000 -1.587) 3.806 21.589 ( -4.118 0.000 0.937) 4.223 22.440 ( 3.207 0.000 1.054) 3.376 22.477 ( 0.235 0.000 -1.329) 1.349 22.538 ( 2.442 0.000 -1.536) 2.885 22.538 ( 1.028 0.000 -0.285) 1.067 ======================= Grid point 2 (3/54) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( 28.034 0.000 -6.982) 28.890 1.122 ( 24.131 0.000 12.180) 27.031 1.293 ( -4.233 0.000 -15.060) 15.644 1.349 ( -1.325 0.000 10.755) 10.836 1.687 ( -5.432 0.000 7.448) 9.218 1.856 ( 4.509 0.000 -8.231) 9.386 2.109 ( 11.763 0.000 -2.611) 12.049 2.195 ( 26.696 0.000 5.056) 27.170 2.219 ( 7.621 0.000 0.157) 7.622 2.321 ( 3.772 0.000 -9.717) 10.424 2.338 ( 2.518 0.000 0.284) 2.534 2.422 ( -4.829 0.000 -5.555) 7.360 2.495 ( 3.681 0.000 0.774) 3.761 2.551 ( -3.704 0.000 1.062) 3.853 2.632 ( 4.329 0.000 -0.331) 4.341 2.642 ( 0.066 0.000 1.163) 1.165 2.697 ( -1.042 0.000 -5.734) 5.828 2.739 ( 3.891 0.000 1.079) 4.038 2.805 ( -1.250 0.000 -1.243) 1.763 2.808 ( -2.105 0.000 -0.761) 2.238 2.851 ( -0.142 0.000 -0.913) 0.924 3.026 ( -0.721 0.000 1.199) 1.399 3.053 ( -0.240 0.000 -1.094) 1.120 3.134 ( -4.750 0.000 -2.352) 5.300 3.152 ( -3.465 0.000 4.611) 5.768 3.152 ( -2.146 0.000 4.895) 5.345 3.226 ( 2.040 0.000 -0.876) 2.220 3.280 ( 0.730 0.000 3.338) 3.417 3.331 ( 5.872 0.000 0.669) 5.910 3.417 ( -1.382 0.000 0.423) 1.446 3.436 ( 0.731 0.000 2.482) 2.587 3.475 ( 1.024 0.000 -8.216) 8.280 3.577 ( 8.493 0.000 2.861) 8.961 3.630 ( 5.793 0.000 5.369) 7.898 3.677 ( 3.382 0.000 -0.089) 3.383 3.777 ( -2.430 0.000 -0.974) 2.618 3.823 ( 8.084 0.000 -0.893) 8.133 3.914 ( 0.075 0.000 -5.255) 5.256 3.934 ( 0.447 0.000 -3.169) 3.200 3.998 ( 1.089 0.000 7.908) 7.983 4.116 ( -0.487 0.000 -1.041) 1.149 4.157 ( -7.337 0.000 4.173) 8.441 4.235 ( 0.499 0.000 1.460) 1.543 4.267 ( 10.052 0.000 -3.370) 10.602 4.276 ( 0.639 0.000 2.043) 2.141 4.422 ( 0.681 0.000 1.059) 1.259 4.548 ( 1.405 0.000 -1.877) 2.345 4.591 ( -3.283 0.000 -5.592) 6.485 4.713 ( -6.487 0.000 -0.791) 6.535 4.745 ( 0.590 0.000 -1.569) 1.677 4.811 ( 9.425 0.000 4.334) 10.374 4.881 ( -4.479 0.000 1.474) 4.715 4.904 ( -3.300 0.000 -1.626) 3.679 4.914 ( 2.816 0.000 0.524) 2.864 5.148 ( -7.342 0.000 -7.722) 10.655 5.184 ( -3.518 0.000 2.746) 4.463 5.225 ( -6.829 0.000 -4.116) 7.974 5.413 ( -3.059 0.000 4.646) 5.562 5.478 ( -6.072 0.000 2.383) 6.523 5.505 ( -7.046 0.000 -1.543) 7.213 5.520 ( 0.710 0.000 1.563) 1.717 5.553 ( 4.783 0.000 4.642) 6.665 5.771 ( -6.652 0.000 3.180) 7.373 5.773 ( -1.570 0.000 -0.647) 1.698 5.850 ( 0.212 0.000 2.730) 2.738 5.885 ( -1.975 0.000 -2.897) 3.506 5.968 ( -4.792 0.000 2.645) 5.474 6.064 ( -0.991 0.000 -1.393) 1.710 6.098 ( -5.423 0.000 -3.158) 6.275 6.221 ( 0.071 0.000 -4.129) 4.129 6.463 ( -0.518 0.000 -2.177) 2.238 6.520 ( -6.089 0.000 -2.813) 6.708 6.574 ( -6.732 0.000 0.723) 6.770 6.582 ( 1.928 0.000 1.222) 2.282 6.758 ( 2.066 0.000 -0.982) 2.287 6.772 ( 1.705 0.000 3.963) 4.314 6.846 ( 0.355 0.000 -1.226) 1.276 6.946 ( -0.409 0.000 6.733) 6.745 6.976 ( 1.600 0.000 -0.604) 1.710 7.013 ( 2.395 0.000 -6.824) 7.233 7.165 ( 4.877 0.000 -4.288) 6.494 7.387 ( -3.741 0.000 4.673) 5.986 7.432 ( -4.149 0.000 1.469) 4.402 7.577 ( 2.355 0.000 5.826) 6.284 7.928 ( -1.031 0.000 -1.193) 1.577 7.935 ( 3.511 0.000 -1.252) 3.727 7.990 ( 3.203 0.000 -1.983) 3.767 8.084 ( 3.559 0.000 2.159) 4.162 8.115 ( 1.811 0.000 2.994) 3.499 8.305 ( 4.043 0.000 -2.283) 4.643 8.310 ( 0.195 0.000 -7.274) 7.276 8.370 ( -0.435 0.000 -2.557) 2.594 8.627 ( 0.321 0.000 -2.315) 2.337 8.809 ( -4.206 0.000 -1.138) 4.357 8.886 ( 3.566 0.000 0.085) 3.567 8.942 ( 2.027 0.000 1.839) 2.737 9.019 ( 3.413 0.000 -1.889) 3.901 9.035 ( -5.608 0.000 4.808) 7.387 9.134 ( 2.214 0.000 -2.298) 3.191 9.224 ( -2.183 0.000 -2.400) 3.245 9.226 ( 8.780 0.000 -0.610) 8.801 9.371 ( -1.718 0.000 1.647) 2.380 9.539 ( -0.410 0.000 5.305) 5.321 9.607 ( 1.756 0.000 -0.060) 1.757 9.706 ( -0.828 0.000 -7.026) 7.075 9.751 ( -1.305 0.000 1.938) 2.336 9.770 ( 1.736 0.000 4.707) 5.017 9.901 ( 0.030 0.000 -0.141) 0.144 10.012 ( 0.909 0.000 -5.724) 5.796 10.048 ( 0.228 0.000 0.226) 0.321 10.057 ( -0.536 0.000 -0.288) 0.609 10.120 ( 4.001 0.000 0.973) 4.117 10.290 ( 0.693 0.000 1.543) 1.692 10.362 ( 1.462 0.000 0.351) 1.504 10.470 ( -2.172 0.000 -1.839) 2.846 10.473 ( 5.107 0.000 1.390) 5.293 10.499 ( -2.923 0.000 -3.117) 4.273 10.655 ( -1.236 0.000 -2.524) 2.811 10.655 ( -3.366 0.000 -0.300) 3.379 10.720 ( -3.141 0.000 -3.106) 4.418 10.837 ( -0.085 0.000 3.084) 3.085 10.896 ( 1.699 0.000 3.664) 4.039 10.918 ( 1.804 0.000 0.722) 1.943 11.067 ( -0.345 0.000 0.921) 0.983 11.152 ( -3.297 0.000 0.359) 3.317 11.337 ( -5.671 0.000 -1.584) 5.888 11.378 ( -4.547 0.000 3.540) 5.762 11.406 ( 2.960 0.000 -9.503) 9.953 11.630 ( 2.094 0.000 5.656) 6.032 11.740 ( -1.356 0.000 -0.838) 1.594 11.751 ( -4.094 0.000 -1.115) 4.243 11.766 ( -1.661 0.000 -4.698) 4.983 11.986 ( -2.314 0.000 0.384) 2.346 12.122 ( 6.138 0.000 0.659) 6.173 12.318 ( -0.936 0.000 0.489) 1.056 12.486 ( -5.211 0.000 -5.889) 7.863 12.987 ( -1.000 0.000 3.173) 3.326 12.992 ( 1.235 0.000 -1.831) 2.208 13.298 ( 9.410 0.000 -0.703) 9.436 13.838 ( 4.577 0.000 -2.674) 5.301 13.851 ( -0.926 0.000 0.406) 1.011 13.888 ( -0.146 0.000 5.092) 5.094 14.179 ( -4.861 0.000 0.557) 4.893 14.211 ( -0.903 0.000 -5.879) 5.948 14.390 ( 0.028 0.000 -5.209) 5.209 14.595 ( -2.432 0.000 13.246) 13.467 14.796 ( -3.470 0.000 6.146) 7.057 14.810 ( 2.192 0.000 -7.090) 7.421 14.984 ( 2.962 0.000 -0.587) 3.019 15.118 ( 0.678 0.000 0.031) 0.679 15.244 ( 3.090 0.000 0.947) 3.232 15.499 ( -0.168 0.000 0.042) 0.174 17.060 ( -2.957 0.000 -2.617) 3.949 17.322 ( -2.815 0.000 -2.644) 3.862 17.456 ( 4.676 0.000 0.136) 4.678 17.607 ( 1.387 0.000 -1.642) 2.150 17.998 ( 12.863 0.000 0.335) 12.867 18.116 ( 10.536 0.000 -3.715) 11.171 18.681 ( -1.391 0.000 -0.135) 1.398 18.689 ( -1.354 0.000 -0.380) 1.406 18.882 ( -1.096 0.000 -0.877) 1.404 19.056 ( 10.099 0.000 -7.596) 12.637 19.386 ( 0.364 0.000 1.652) 1.692 19.444 ( 5.698 0.000 -7.813) 9.670 19.466 ( -3.062 0.000 1.517) 3.417 19.581 ( -1.843 0.000 1.612) 2.449 19.790 ( 1.147 0.000 -0.309) 1.188 19.844 ( -1.433 0.000 1.683) 2.211 20.381 ( -8.345 0.000 33.421) 34.448 20.383 ( -4.479 0.000 3.053) 5.421 20.546 ( -9.674 0.000 -0.725) 9.701 20.735 ( -4.688 0.000 -8.919) 10.076 20.745 ( -1.027 0.000 -0.727) 1.258 21.049 ( -5.923 0.000 -3.139) 6.703 21.060 ( 0.810 0.000 1.952) 2.113 21.484 ( -7.219 0.000 0.642) 7.248 22.483 ( 1.369 0.000 -1.356) 1.927 22.515 ( 3.578 0.000 1.252) 3.791 22.549 ( 0.352 0.000 -0.613) 0.707 22.579 ( 2.182 0.000 0.148) 2.187 ======================= Grid point 3 (4/54) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( -1.643 0.000 -5.486) 5.726 1.245 ( 1.163 0.000 -5.805) 5.920 1.580 ( 17.674 0.000 6.640) 18.880 1.646 ( -1.855 0.000 2.657) 3.241 1.672 ( 23.813 0.000 8.762) 25.374 1.904 ( 1.198 0.000 4.739) 4.888 2.063 ( -11.764 0.000 -9.746) 15.277 2.113 ( -13.806 0.000 -6.791) 15.386 2.194 ( -6.382 0.000 -4.803) 7.988 2.295 ( 8.994 0.000 -3.014) 9.486 2.461 ( 1.289 0.000 -0.643) 1.441 2.480 ( 1.872 0.000 0.231) 1.887 2.513 ( 1.631 0.000 -3.377) 3.750 2.575 ( -3.116 0.000 -0.685) 3.190 2.590 ( 0.525 0.000 2.093) 2.158 2.613 ( -3.173 0.000 -0.816) 3.276 2.656 ( -2.616 0.000 -2.188) 3.411 2.786 ( 0.295 0.000 -0.983) 1.027 2.812 ( -2.400 0.000 1.427) 2.792 2.877 ( 3.408 0.000 0.647) 3.469 2.917 ( 2.383 0.000 -1.414) 2.771 3.039 ( -3.285 0.000 1.849) 3.769 3.100 ( 2.623 0.000 1.233) 2.898 3.134 ( -0.856 0.000 2.540) 2.680 3.193 ( 6.074 0.000 8.032) 10.070 3.225 ( 4.806 0.000 0.258) 4.813 3.273 ( 2.126 0.000 1.001) 2.350 3.361 ( 17.717 0.000 0.109) 17.718 3.384 ( -3.805 0.000 -1.317) 4.027 3.393 ( 3.423 0.000 2.376) 4.167 3.436 ( 3.427 0.000 0.901) 3.544 3.460 ( 0.631 0.000 -3.326) 3.385 3.620 ( -4.918 0.000 1.403) 5.114 3.730 ( 4.550 0.000 3.275) 5.606 3.801 ( 6.842 0.000 2.986) 7.465 3.824 ( 4.711 0.000 -0.340) 4.723 3.915 ( 2.288 0.000 -0.872) 2.449 3.931 ( 3.388 0.000 -4.489) 5.624 3.947 ( -13.074 0.000 -0.331) 13.078 3.992 ( 5.384 0.000 -2.607) 5.982 4.070 ( -2.797 0.000 -6.036) 6.653 4.110 ( 0.642 0.000 6.349) 6.381 4.159 ( -5.381 0.000 6.833) 8.698 4.315 ( -10.552 0.000 -0.415) 10.560 4.430 ( -3.104 0.000 -2.273) 3.848 4.464 ( 8.032 0.000 2.072) 8.294 4.477 ( 1.003 0.000 0.548) 1.143 4.536 ( -1.265 0.000 -9.289) 9.374 4.631 ( 9.375 0.000 0.716) 9.403 4.759 ( 0.692 0.000 -1.819) 1.946 4.810 ( -0.637 0.000 -5.194) 5.233 4.853 ( -6.731 0.000 0.366) 6.741 4.857 ( -5.630 0.000 1.140) 5.744 4.882 ( -4.635 0.000 0.260) 4.642 4.962 ( 1.296 0.000 -1.499) 1.981 5.173 ( -0.315 0.000 8.980) 8.985 5.278 ( 6.592 0.000 -5.142) 8.360 5.305 ( -8.702 0.000 -1.952) 8.918 5.392 ( 0.668 0.000 0.906) 1.125 5.399 ( -5.386 0.000 5.054) 7.386 5.537 ( -1.538 0.000 -0.540) 1.630 5.672 ( 3.183 0.000 5.508) 6.362 5.705 ( -2.519 0.000 1.639) 3.005 5.741 ( -1.148 0.000 -1.787) 2.124 5.852 ( 1.534 0.000 -3.705) 4.009 5.888 ( 3.130 0.000 0.918) 3.261 5.919 ( -2.078 0.000 0.742) 2.206 5.981 ( -4.835 0.000 -2.913) 5.645 5.990 ( -3.617 0.000 -0.882) 3.722 6.268 ( 3.011 0.000 0.112) 3.013 6.401 ( -3.933 0.000 0.363) 3.950 6.413 ( -3.194 0.000 -0.650) 3.260 6.527 ( 0.593 0.000 0.133) 0.607 6.626 ( 1.685 0.000 -0.037) 1.686 6.748 ( -2.165 0.000 -0.278) 2.183 6.778 ( 0.509 0.000 -0.310) 0.596 6.897 ( 1.990 0.000 2.014) 2.831 6.970 ( -0.166 0.000 2.474) 2.480 6.973 ( -0.734 0.000 -4.858) 4.913 7.015 ( 2.183 0.000 -0.109) 2.185 7.251 ( 4.273 0.000 -2.222) 4.816 7.321 ( -5.394 0.000 0.589) 5.426 7.365 ( -1.640 0.000 3.143) 3.546 7.634 ( 0.703 0.000 1.347) 1.519 7.871 ( -1.900 0.000 -1.388) 2.353 7.961 ( 1.025 0.000 -0.384) 1.095 8.059 ( 3.934 0.000 -0.668) 3.990 8.115 ( -2.310 0.000 0.677) 2.407 8.193 ( 3.587 0.000 2.279) 4.250 8.317 ( -0.564 0.000 -1.597) 1.693 8.318 ( 1.983 0.000 -2.104) 2.891 8.400 ( 3.859 0.000 -1.477) 4.132 8.616 ( -0.305 0.000 -0.744) 0.804 8.691 ( -5.718 0.000 -0.328) 5.728 8.870 ( -2.795 0.000 0.603) 2.859 8.982 ( 1.656 0.000 -0.196) 1.667 9.056 ( 3.335 0.000 3.755) 5.022 9.095 ( 3.334 0.000 -0.719) 3.411 9.138 ( 1.057 0.000 -1.838) 2.120 9.198 ( -1.495 0.000 -2.841) 3.210 9.333 ( 2.690 0.000 0.503) 2.737 9.366 ( 0.151 0.000 1.631) 1.638 9.554 ( -0.909 0.000 0.797) 1.209 9.589 ( -1.947 0.000 -2.728) 3.351 9.671 ( 0.607 0.000 -0.275) 0.666 9.745 ( -0.479 0.000 0.460) 0.664 9.846 ( 1.677 0.000 10.672) 10.803 9.898 ( -0.095 0.000 -0.354) 0.367 9.956 ( -0.679 0.000 -11.403) 11.423 10.057 ( 0.102 0.000 0.969) 0.974 10.112 ( 3.765 0.000 5.092) 6.333 10.169 ( 0.456 0.000 0.882) 0.993 10.238 ( -3.579 0.000 -4.268) 5.570 10.425 ( -1.427 0.000 -0.421) 1.488 10.427 ( 5.036 0.000 -0.576) 5.069 10.434 ( -1.742 0.000 -0.643) 1.857 10.551 ( 0.567 0.000 0.743) 0.935 10.565 ( -5.176 0.000 -0.627) 5.214 10.667 ( -1.339 0.000 -0.374) 1.391 10.683 ( 3.720 0.000 -0.440) 3.746 10.862 ( 0.933 0.000 1.231) 1.545 10.914 ( -0.021 0.000 1.136) 1.136 10.982 ( 2.582 0.000 0.515) 2.633 11.057 ( -0.528 0.000 0.139) 0.546 11.112 ( -1.365 0.000 0.199) 1.379 11.237 ( -3.809 0.000 -0.434) 3.834 11.299 ( -2.877 0.000 -0.884) 3.009 11.413 ( 0.740 0.000 -1.169) 1.384 11.695 ( -1.233 0.000 -0.136) 1.241 11.706 ( -1.181 0.000 -1.021) 1.561 11.706 ( 0.698 0.000 7.018) 7.053 11.737 ( 1.607 0.000 -5.771) 5.991 11.947 ( -1.459 0.000 0.086) 1.462 12.227 ( 4.589 0.000 0.331) 4.601 12.291 ( -2.452 0.000 0.372) 2.480 12.363 ( -3.504 0.000 -3.141) 4.706 12.987 ( -0.468 0.000 1.299) 1.380 13.003 ( 0.607 0.000 -0.568) 0.831 13.415 ( 3.289 0.000 -0.573) 3.339 13.774 ( -1.195 0.000 -2.503) 2.773 13.958 ( 4.356 0.000 4.175) 6.034 13.983 ( 4.632 0.000 3.264) 5.666 14.077 ( -5.832 0.000 -1.480) 6.017 14.142 ( -2.818 0.000 -2.579) 3.820 14.362 ( -0.298 0.000 -1.851) 1.874 14.628 ( -0.179 0.000 3.551) 3.556 14.760 ( -1.402 0.000 0.399) 1.458 14.823 ( 0.776 0.000 -0.764) 1.089 15.023 ( 1.183 0.000 -0.002) 1.183 15.127 ( 0.227 0.000 -0.035) 0.229 15.293 ( 1.392 0.000 0.412) 1.451 15.496 ( -0.070 0.000 -0.053) 0.088 17.008 ( -1.146 0.000 -1.007) 1.526 17.271 ( -1.240 0.000 -0.910) 1.538 17.521 ( 1.944 0.000 0.037) 1.944 17.616 ( 0.334 0.000 -0.400) 0.521 18.202 ( 6.935 0.000 0.806) 6.982 18.323 ( 13.795 0.000 -2.697) 14.057 18.560 ( -11.672 0.000 0.727) 11.695 18.646 ( -1.782 0.000 -0.088) 1.784 18.892 ( 1.247 0.000 -0.183) 1.260 19.170 ( 4.479 0.000 -1.837) 4.841 19.393 ( -2.948 0.000 0.913) 3.086 19.402 ( 0.290 0.000 -0.343) 0.449 19.494 ( 3.634 0.000 -4.978) 6.163 19.560 ( -1.626 0.000 2.018) 2.592 19.836 ( 1.953 0.000 0.363) 1.987 19.839 ( -0.110 0.000 0.758) 0.766 20.352 ( -7.677 0.000 7.618) 10.815 20.359 ( -0.559 0.000 1.760) 1.847 20.444 ( -1.710 0.000 2.933) 3.395 20.659 ( 0.297 0.000 -2.203) 2.223 20.728 ( -0.448 0.000 -0.154) 0.474 20.927 ( -3.955 0.000 -2.518) 4.689 21.077 ( 0.210 0.000 0.759) 0.787 21.368 ( -4.253 0.000 0.026) 4.253 22.502 ( 0.989 0.000 -0.494) 1.105 22.545 ( -0.234 0.000 -0.367) 0.435 22.571 ( 1.508 0.000 0.577) 1.615 22.610 ( 0.856 0.000 0.147) 0.869 ======================= Grid point 7 (5/54) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.512 ( 0.000 27.530 0.000) 27.530 0.550 ( 0.000 29.585 0.000) 29.585 1.047 ( 0.000 55.618 0.000) 55.618 1.510 ( 0.000 -1.285 0.000) 1.285 1.627 ( 0.000 -3.057 0.000) 3.057 1.683 ( 0.000 -6.645 0.000) 6.645 1.903 ( 0.000 -1.828 0.000) 1.828 1.950 ( 0.000 0.677 0.000) 0.677 2.000 ( 0.000 -1.169 0.000) 1.169 2.089 ( 0.000 -0.403 0.000) 0.403 2.123 ( 0.000 2.573 0.000) 2.573 2.371 ( 0.000 -0.090 0.000) 0.090 2.460 ( 0.000 -1.677 0.000) 1.677 2.479 ( 0.000 -7.631 0.000) 7.631 2.554 ( 0.000 -4.855 0.000) 4.855 2.571 ( 0.000 -0.520 0.000) 0.520 2.739 ( 0.000 -2.743 0.000) 2.743 2.824 ( 0.000 0.353 0.000) 0.353 2.874 ( 0.000 5.702 0.000) 5.702 2.882 ( 0.000 2.269 0.000) 2.269 2.947 ( 0.000 5.196 0.000) 5.196 3.042 ( 0.000 4.263 0.000) 4.263 3.115 ( 0.000 1.299 0.000) 1.299 3.117 ( 0.000 -1.731 0.000) 1.731 3.159 ( 0.000 2.672 0.000) 2.672 3.222 ( 0.000 0.964 0.000) 0.964 3.227 ( 0.000 1.414 0.000) 1.414 3.271 ( 0.000 2.692 0.000) 2.692 3.286 ( 0.000 -6.225 0.000) 6.225 3.338 ( 0.000 2.038 0.000) 2.038 3.436 ( 0.000 9.503 0.000) 9.503 3.445 ( 0.000 -0.130 0.000) 0.130 3.489 ( 0.000 1.177 0.000) 1.177 3.575 ( 0.000 1.420 0.000) 1.420 3.626 ( 0.000 4.594 0.000) 4.594 3.659 ( 0.000 2.070 0.000) 2.070 3.740 ( 0.000 0.352 0.000) 0.352 3.885 ( 0.000 -7.134 0.000) 7.134 3.941 ( 0.000 0.806 0.000) 0.806 3.967 ( 0.000 -7.644 0.000) 7.644 4.014 ( 0.000 -10.495 0.000) 10.495 4.066 ( 0.000 1.617 0.000) 1.617 4.154 ( 0.000 -17.710 0.000) 17.710 4.255 ( 0.000 -3.787 0.000) 3.787 4.280 ( 0.000 5.179 0.000) 5.179 4.400 ( 0.000 -1.652 0.000) 1.652 4.436 ( 0.000 4.039 0.000) 4.039 4.483 ( 0.000 -0.209 0.000) 0.209 4.679 ( 0.000 -8.087 0.000) 8.087 4.717 ( 0.000 6.629 0.000) 6.629 4.726 ( 0.000 -7.464 0.000) 7.464 4.807 ( 0.000 -5.388 0.000) 5.388 5.046 ( 0.000 3.116 0.000) 3.116 5.059 ( 0.000 4.903 0.000) 4.903 5.154 ( 0.000 -3.479 0.000) 3.479 5.213 ( 0.000 0.192 0.000) 0.192 5.287 ( 0.000 -2.512 0.000) 2.512 5.386 ( 0.000 0.045 0.000) 0.045 5.441 ( 0.000 -4.409 0.000) 4.409 5.584 ( 0.000 6.008 0.000) 6.008 5.643 ( 0.000 0.008 0.000) 0.008 5.670 ( 0.000 -3.680 0.000) 3.680 5.762 ( 0.000 5.578 0.000) 5.578 5.918 ( 0.000 2.810 0.000) 2.810 5.952 ( 0.000 -2.477 0.000) 2.477 6.008 ( 0.000 1.630 0.000) 1.630 6.130 ( 0.000 1.218 0.000) 1.218 6.218 ( 0.000 -0.755 0.000) 0.755 6.459 ( 0.000 -0.496 0.000) 0.496 6.487 ( 0.000 2.559 0.000) 2.559 6.499 ( 0.000 0.413 0.000) 0.413 6.556 ( 0.000 2.162 0.000) 2.162 6.634 ( 0.000 -0.227 0.000) 0.227 6.690 ( 0.000 -3.782 0.000) 3.782 6.707 ( 0.000 2.456 0.000) 2.456 6.758 ( 0.000 1.453 0.000) 1.453 6.886 ( 0.000 -0.221 0.000) 0.221 6.940 ( 0.000 -1.248 0.000) 1.248 7.036 ( 0.000 2.743 0.000) 2.743 7.086 ( 0.000 2.082 0.000) 2.082 7.119 ( 0.000 -0.833 0.000) 0.833 7.173 ( 0.000 -2.415 0.000) 2.415 7.485 ( 0.000 3.155 0.000) 3.155 7.625 ( 0.000 4.909 0.000) 4.909 7.683 ( 0.000 -1.798 0.000) 1.798 7.766 ( 0.000 2.827 0.000) 2.827 7.865 ( 0.000 -2.779 0.000) 2.779 8.012 ( 0.000 -4.228 0.000) 4.228 8.136 ( 0.000 1.754 0.000) 1.754 8.293 ( 0.000 7.145 0.000) 7.145 8.502 ( 0.000 -7.832 0.000) 7.832 8.550 ( 0.000 2.866 0.000) 2.866 8.654 ( 0.000 5.973 0.000) 5.973 8.682 ( 0.000 -7.096 0.000) 7.096 8.723 ( 0.000 -3.934 0.000) 3.934 8.865 ( 0.000 3.974 0.000) 3.974 8.993 ( 0.000 1.230 0.000) 1.230 9.053 ( 0.000 0.173 0.000) 0.173 9.076 ( 0.000 1.154 0.000) 1.154 9.226 ( 0.000 0.854 0.000) 0.854 9.338 ( 0.000 -2.716 0.000) 2.716 9.410 ( 0.000 -2.910 0.000) 2.910 9.552 ( 0.000 2.417 0.000) 2.417 9.561 ( 0.000 -1.595 0.000) 1.595 9.646 ( 0.000 0.551 0.000) 0.551 9.657 ( 0.000 -1.555 0.000) 1.555 9.773 ( 0.000 1.144 0.000) 1.144 9.872 ( 0.000 -5.363 0.000) 5.363 9.906 ( 0.000 10.441 0.000) 10.441 9.936 ( 0.000 0.410 0.000) 0.410 10.084 ( 0.000 0.944 0.000) 0.944 10.126 ( 0.000 4.158 0.000) 4.158 10.167 ( 0.000 2.005 0.000) 2.005 10.334 ( 0.000 -2.714 0.000) 2.714 10.432 ( 0.000 2.169 0.000) 2.169 10.517 ( 0.000 -5.241 0.000) 5.241 10.518 ( 0.000 -8.516 0.000) 8.516 10.623 ( 0.000 -3.434 0.000) 3.434 10.685 ( 0.000 -0.805 0.000) 0.805 10.736 ( 0.000 -0.542 0.000) 0.542 10.833 ( 0.000 -1.201 0.000) 1.201 10.884 ( 0.000 -3.127 0.000) 3.127 10.954 ( 0.000 1.138 0.000) 1.138 10.985 ( 0.000 5.112 0.000) 5.112 11.276 ( 0.000 0.822 0.000) 0.822 11.295 ( 0.000 -0.761 0.000) 0.761 11.415 ( 0.000 5.258 0.000) 5.258 11.437 ( 0.000 -2.359 0.000) 2.359 11.586 ( 0.000 2.229 0.000) 2.229 11.698 ( 0.000 0.018 0.000) 0.018 11.729 ( 0.000 -4.363 0.000) 4.363 11.849 ( 0.000 -2.948 0.000) 2.948 11.988 ( 0.000 0.410 0.000) 0.410 12.076 ( 0.000 11.410 0.000) 11.410 12.252 ( 0.000 -7.463 0.000) 7.463 12.748 ( 0.000 3.666 0.000) 3.666 12.815 ( 0.000 -10.439 0.000) 10.439 12.989 ( 0.000 -1.937 0.000) 1.937 13.063 ( 0.000 8.275 0.000) 8.275 13.614 ( 0.000 -6.129 0.000) 6.129 13.787 ( 0.000 -0.393 0.000) 0.393 13.915 ( 0.000 -3.695 0.000) 3.695 14.108 ( 0.000 4.237 0.000) 4.237 14.333 ( 0.000 5.173 0.000) 5.173 14.428 ( 0.000 -0.627 0.000) 0.627 14.472 ( 0.000 2.601 0.000) 2.601 14.705 ( 0.000 -3.711 0.000) 3.711 14.957 ( 0.000 5.066 0.000) 5.066 14.964 ( 0.000 -5.874 0.000) 5.874 15.083 ( 0.000 -1.052 0.000) 1.052 15.240 ( 0.000 6.327 0.000) 6.327 15.490 ( 0.000 -1.406 0.000) 1.406 17.275 ( 0.000 3.034 0.000) 3.034 17.345 ( 0.000 2.353 0.000) 2.353 17.449 ( 0.000 2.002 0.000) 2.002 17.580 ( 0.000 -4.058 0.000) 4.058 17.720 ( 0.000 8.593 0.000) 8.593 18.578 ( 0.000 -0.425 0.000) 0.425 18.594 ( 0.000 -0.888 0.000) 0.888 18.614 ( 0.000 -3.286 0.000) 3.286 18.704 ( 0.000 -0.290 0.000) 0.290 18.864 ( 0.000 -14.241 0.000) 14.241 19.325 ( 0.000 1.823 0.000) 1.823 19.444 ( 0.000 2.495 0.000) 2.495 19.632 ( 0.000 1.746 0.000) 1.746 19.665 ( 0.000 -0.474 0.000) 0.474 19.843 ( 0.000 -1.116 0.000) 1.116 19.856 ( 0.000 -1.662 0.000) 1.662 20.095 ( 0.000 4.408 0.000) 4.408 20.460 ( 0.000 -8.331 0.000) 8.331 20.756 ( 0.000 -2.017 0.000) 2.017 20.777 ( 0.000 -1.381 0.000) 1.381 21.041 ( 0.000 5.584 0.000) 5.584 21.108 ( 0.000 12.304 0.000) 12.304 21.191 ( 0.000 -0.142 0.000) 0.142 21.752 ( 0.000 -6.354 0.000) 6.354 22.409 ( 0.000 0.593 0.000) 0.593 22.456 ( 0.000 -0.605 0.000) 0.605 22.486 ( 0.000 0.302 0.000) 0.302 22.520 ( 0.000 -0.517 0.000) 0.517 ======================= Grid point 8 (6/54) ======================= q-point: ( 0.14 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( 20.031 19.679 -2.275) 28.172 0.816 ( 19.324 16.718 5.974) 26.241 1.324 ( 12.425 25.556 7.239) 29.324 1.480 ( -5.557 -1.736 -10.651) 12.139 1.611 ( 17.854 5.274 4.435) 19.138 1.735 ( -2.446 0.829 9.078) 9.439 1.904 ( 4.061 -1.941 -7.515) 8.760 1.966 ( 4.165 -4.498 -0.558) 6.156 2.020 ( 4.226 5.453 1.340) 7.028 2.177 ( 9.254 -1.711 -4.663) 10.503 2.301 ( 9.913 0.002 8.295) 12.926 2.420 ( 4.188 -2.714 -5.022) 7.080 2.471 ( 1.189 -7.191 -5.632) 9.210 2.500 ( 3.364 -0.347 -1.923) 3.890 2.579 ( 2.091 0.833 0.164) 2.257 2.626 ( 3.952 -2.161 2.399) 5.103 2.725 ( -2.880 0.291 3.441) 4.496 2.781 ( -4.445 4.249 -3.790) 7.223 2.814 ( -1.679 -0.163 -1.354) 2.163 2.876 ( -1.479 2.318 -2.621) 3.799 2.911 ( -3.808 1.226 -3.827) 5.536 3.024 ( 0.928 1.825 -1.685) 2.652 3.102 ( -0.992 -1.383 -3.099) 3.536 3.145 ( 4.241 0.591 0.344) 4.296 3.182 ( -5.414 -4.850 2.472) 7.677 3.219 ( -3.725 0.862 1.578) 4.137 3.247 ( -1.365 -0.879 2.552) 3.025 3.262 ( 6.436 3.605 -1.054) 7.452 3.313 ( -2.498 3.339 4.171) 5.898 3.354 ( 5.561 1.400 -0.956) 5.813 3.412 ( -1.398 0.030 0.899) 1.662 3.483 ( 1.851 5.390 4.751) 7.420 3.514 ( 1.913 3.465 1.258) 4.153 3.559 ( -2.155 0.419 0.213) 2.205 3.617 ( 3.483 1.382 1.081) 3.900 3.724 ( 0.434 1.709 -1.359) 2.226 3.799 ( 2.233 -3.657 -0.919) 4.382 3.900 ( 2.720 -3.988 2.605) 5.485 3.942 ( 4.055 -1.949 -3.990) 6.014 3.998 ( 0.232 -3.460 1.238) 3.682 4.052 ( 3.798 -7.244 -1.895) 8.396 4.118 ( 2.199 -3.002 0.674) 3.782 4.188 ( 1.232 -6.131 1.279) 6.383 4.204 ( 2.207 2.043 -1.037) 3.181 4.277 ( -4.857 -2.856 0.598) 5.666 4.385 ( 0.416 -3.181 1.185) 3.420 4.471 ( 1.121 -0.337 2.865) 3.095 4.547 ( 6.500 0.463 2.400) 6.944 4.663 ( -0.534 -1.543 -5.889) 6.111 4.730 ( 0.272 1.145 2.501) 2.764 4.779 ( 2.882 -10.728 -0.862) 11.142 4.827 ( 1.825 -3.253 -3.776) 5.308 4.944 ( -2.238 6.204 -1.036) 6.676 5.029 ( -3.752 5.876 4.096) 8.086 5.118 ( -3.456 -1.069 -1.853) 4.064 5.271 ( 1.647 -1.427 0.518) 2.239 5.312 ( 0.955 -5.276 4.285) 6.864 5.393 ( -3.451 -2.541 2.698) 5.064 5.434 ( 2.008 -1.437 -2.472) 3.494 5.554 ( -6.217 -2.246 -3.479) 7.470 5.570 ( -0.540 4.313 -3.392) 5.514 5.690 ( -1.375 -5.044 1.551) 5.453 5.789 ( 1.165 3.933 4.040) 5.757 5.854 ( -7.833 4.690 -1.427) 9.241 5.895 ( -4.798 0.916 1.014) 4.988 5.946 ( -4.002 1.151 1.075) 4.300 6.114 ( -1.784 3.350 -0.232) 3.802 6.181 ( -3.051 -1.755 -1.349) 3.769 6.265 ( -16.587 8.727 0.913) 18.765 6.364 ( -5.926 3.739 -5.483) 8.897 6.472 ( -1.553 -1.724 -5.387) 5.865 6.529 ( -2.779 -0.625 1.438) 3.191 6.574 ( -2.096 -1.766 0.317) 2.760 6.684 ( 3.245 1.026 2.984) 4.527 6.735 ( -1.913 1.607 -1.950) 3.169 6.745 ( 1.572 2.189 0.193) 2.702 6.873 ( -0.543 1.613 -3.794) 4.158 6.914 ( 0.741 -0.190 2.263) 2.389 6.997 ( -1.923 1.863 2.142) 3.429 7.025 ( -0.870 1.068 -0.742) 1.565 7.172 ( 2.652 2.565 -1.866) 4.135 7.333 ( 9.019 -0.288 4.440) 10.057 7.503 ( -3.572 2.702 3.054) 5.420 7.534 ( -1.690 3.958 1.916) 4.711 7.772 ( 3.572 -4.817 2.634) 6.550 7.909 ( 4.418 2.125 -0.802) 4.968 7.940 ( 4.311 -4.980 -1.203) 6.696 8.023 ( 4.755 -1.967 -0.603) 5.182 8.111 ( -1.430 1.206 0.435) 1.921 8.245 ( 1.638 2.094 -5.807) 6.387 8.389 ( -6.992 -0.349 -0.634) 7.029 8.486 ( -2.451 2.190 -3.211) 4.595 8.717 ( 0.552 1.659 -0.224) 1.763 8.772 ( 6.026 -0.373 2.646) 6.592 8.833 ( 2.767 3.406 -4.664) 6.404 8.878 ( 5.983 -0.253 0.712) 6.031 8.958 ( 1.523 0.369 1.109) 1.919 9.045 ( 3.307 0.536 0.921) 3.474 9.052 ( -2.354 -1.039 1.193) 2.836 9.206 ( -3.533 2.619 -2.046) 4.851 9.340 ( -5.550 -1.915 -2.032) 6.213 9.419 ( 1.774 -5.068 0.511) 5.394 9.534 ( -3.858 3.379 8.163) 9.641 9.559 ( 2.988 0.581 0.428) 3.074 9.633 ( 0.808 -2.169 -0.910) 2.487 9.725 ( 3.374 -1.274 -3.835) 5.264 9.825 ( 1.304 2.270 -1.985) 3.285 9.853 ( -1.450 -5.130 -0.594) 5.364 9.984 ( 2.678 -0.584 2.258) 3.552 10.046 ( 7.854 2.770 0.803) 8.366 10.093 ( 1.962 1.660 -0.822) 2.698 10.116 ( 0.279 3.229 -1.836) 3.725 10.171 ( 1.684 0.848 0.654) 1.996 10.333 ( -0.155 -2.842 -0.042) 2.846 10.433 ( -0.789 1.115 -0.592) 1.489 10.469 ( -2.703 -6.853 -1.034) 7.439 10.534 ( 0.855 -4.089 -3.638) 5.539 10.609 ( 0.108 -4.025 -3.584) 5.390 10.702 ( -1.095 -1.026 2.704) 3.092 10.778 ( 1.380 -1.733 -0.515) 2.274 10.825 ( -2.103 -5.767 -1.725) 6.376 10.858 ( 1.385 -0.410 0.231) 1.463 10.920 ( -2.623 5.642 3.487) 7.132 11.037 ( 2.339 0.374 2.326) 3.320 11.236 ( -1.822 2.400 -1.031) 3.185 11.368 ( 0.785 -2.993 1.594) 3.481 11.413 ( -2.126 -0.151 -3.201) 3.846 11.424 ( 0.057 -1.529 -4.711) 4.953 11.598 ( 0.784 2.124 1.652) 2.803 11.693 ( 2.472 -4.815 2.074) 5.796 11.759 ( -3.698 -3.515 2.808) 5.824 11.899 ( 2.200 -2.950 -1.745) 4.073 11.945 ( 2.612 0.666 -3.068) 4.084 12.087 ( -0.375 8.939 0.546) 8.963 12.265 ( 0.811 -5.683 0.793) 5.796 12.667 ( -3.050 5.319 -7.570) 9.741 12.877 ( 2.659 -11.355 -1.337) 11.739 13.042 ( 5.550 0.119 -6.467) 8.523 13.061 ( -0.397 2.529 9.143) 9.495 13.602 ( 1.299 -8.076 1.654) 8.345 13.817 ( 0.484 -3.915 1.696) 4.294 13.901 ( -2.697 -5.047 -0.235) 5.727 14.179 ( 5.486 -0.275 -5.824) 8.005 14.302 ( -3.452 3.684 0.397) 5.064 14.431 ( 0.392 0.524 -1.122) 1.299 14.487 ( -0.470 1.202 10.118) 10.200 14.744 ( 2.077 -2.064 3.269) 4.389 14.934 ( -2.486 -0.181 -0.524) 2.547 14.974 ( 2.138 3.061 -1.790) 4.141 15.070 ( 0.026 -1.296 -0.256) 1.322 15.258 ( 1.784 6.035 0.329) 6.302 15.499 ( 0.343 -0.998 0.660) 1.244 17.232 ( -3.915 6.661 0.759) 7.764 17.359 ( 1.770 1.991 -0.308) 2.681 17.465 ( 1.473 3.129 -1.379) 3.723 17.616 ( 2.994 -1.799 -0.405) 3.517 17.820 ( 9.767 5.273 -2.436) 11.363 18.220 ( -10.078 16.058 -10.921) 21.880 18.609 ( -1.060 -6.835 0.843) 6.968 18.672 ( 0.657 -4.218 -2.639) 5.019 18.769 ( 6.932 -3.523 -2.781) 8.258 18.989 ( 4.457 -7.369 4.714) 9.818 19.256 ( 1.005 0.199 -12.308) 12.351 19.444 ( -0.305 -0.507 -1.062) 1.216 19.535 ( 0.881 6.552 -11.239) 13.039 19.657 ( 2.427 3.891 -0.266) 4.594 19.810 ( -3.283 -0.782 1.978) 3.912 19.851 ( -1.634 -1.319 2.240) 3.070 20.228 ( -6.288 -4.601 37.552) 38.351 20.377 ( -8.016 -7.862 2.423) 11.487 20.740 ( -2.653 -0.249 0.058) 2.665 20.762 ( -1.991 -0.745 -0.111) 2.129 20.960 ( -5.978 6.392 -5.243) 10.202 21.091 ( -1.624 5.519 -0.078) 5.754 21.167 ( -2.954 3.115 0.826) 4.371 21.620 ( -8.675 -0.865 0.566) 8.736 22.443 ( 3.094 0.392 1.034) 3.286 22.481 ( 0.432 0.503 -1.214) 1.383 22.508 ( 3.177 -2.000 -0.170) 3.758 22.532 ( 1.140 -0.730 -0.360) 1.401 ======================= Grid point 9 (7/54) ======================= q-point: ( 0.29 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( 18.807 5.607 -9.432) 21.774 1.191 ( 12.087 4.639 6.875) 14.659 1.318 ( 3.201 -0.092 1.229) 3.430 1.403 ( 1.363 11.226 -2.340) 11.548 1.727 ( -3.540 3.454 9.327) 10.558 1.870 ( 1.248 0.886 -6.895) 7.063 2.085 ( 10.189 -4.020 1.570) 11.065 2.148 ( 11.098 -5.912 -0.086) 12.574 2.244 ( 2.914 -1.859 -7.965) 8.682 2.291 ( 17.111 8.302 3.031) 19.258 2.423 ( 0.553 -2.208 -3.358) 4.057 2.439 ( -0.379 4.634 -4.273) 6.314 2.475 ( 4.079 -1.751 1.654) 4.738 2.529 ( -6.010 -1.603 -3.770) 7.273 2.555 ( 5.856 -0.815 -2.468) 6.407 2.667 ( 1.625 1.738 1.791) 2.978 2.691 ( -3.030 1.148 -1.940) 3.777 2.747 ( 0.943 1.116 -2.427) 2.833 2.810 ( -2.206 -1.549 -4.411) 5.170 2.814 ( 1.329 -0.149 1.088) 1.724 2.881 ( 3.404 2.283 2.380) 4.740 2.989 ( -1.705 -1.831 -2.418) 3.479 3.039 ( -2.079 -2.576 4.504) 5.589 3.116 ( -4.628 -0.253 -0.027) 4.635 3.135 ( -0.027 -2.214 2.554) 3.380 3.208 ( 1.462 2.978 1.594) 3.681 3.289 ( 4.279 1.641 0.905) 4.671 3.332 ( 0.772 7.945 2.771) 8.450 3.349 ( -2.425 2.395 3.511) 4.893 3.406 ( 3.296 -0.810 -0.893) 3.510 3.452 ( 3.952 3.034 1.960) 5.354 3.527 ( 4.001 0.312 1.896) 4.439 3.558 ( 2.641 4.027 -2.655) 5.499 3.600 ( -0.629 -2.169 3.206) 3.922 3.717 ( 3.693 1.123 0.815) 3.945 3.745 ( 9.258 1.064 -5.055) 10.602 3.826 ( 2.756 -2.206 1.447) 3.815 3.955 ( -1.612 2.666 -1.635) 3.518 3.985 ( 0.428 2.937 -2.069) 3.618 4.011 ( 3.501 0.663 5.525) 6.574 4.105 ( 3.281 -7.960 3.328) 9.231 4.126 ( 0.267 2.090 -2.751) 3.465 4.177 ( -2.565 1.536 4.246) 5.193 4.214 ( -2.045 -3.594 1.005) 4.255 4.343 ( 9.099 0.333 -0.458) 9.117 4.396 ( 1.477 -3.230 -0.483) 3.584 4.527 ( 0.814 -2.002 -2.094) 3.010 4.608 ( 0.164 2.177 -1.950) 2.927 4.625 ( 3.532 -2.803 -2.931) 5.379 4.692 ( -7.606 -7.124 -1.197) 10.490 4.813 ( 3.023 -1.393 -8.552) 9.177 4.869 ( 4.675 -2.169 4.502) 6.843 4.967 ( -0.234 6.534 5.469) 8.524 4.992 ( -2.434 4.713 2.514) 5.870 5.065 ( 1.084 0.038 -3.279) 3.454 5.203 ( -14.453 0.345 -4.416) 15.116 5.272 ( -1.109 0.928 -1.343) 1.974 5.365 ( -2.472 -5.319 0.778) 5.916 5.383 ( -2.545 -4.870 -0.405) 5.510 5.471 ( 2.080 -1.908 -1.757) 3.325 5.567 ( -6.826 -0.947 2.440) 7.311 5.604 ( -2.739 3.618 1.585) 4.806 5.705 ( -6.278 -3.884 3.919) 8.358 5.802 ( -2.349 -0.536 0.565) 2.475 5.850 ( -0.048 3.657 -0.979) 3.786 5.892 ( -2.107 -0.002 0.108) 2.110 6.030 ( -7.337 3.398 -1.899) 8.305 6.060 ( -5.047 2.064 -0.483) 5.474 6.117 ( -5.227 1.215 -0.222) 5.371 6.261 ( -0.951 3.618 -1.706) 4.111 6.376 ( -5.899 -6.651 -0.600) 8.910 6.488 ( -0.246 -2.368 -0.790) 2.508 6.576 ( -0.549 0.599 1.774) 1.951 6.651 ( -3.507 3.191 -3.239) 5.742 6.751 ( 0.860 -0.698 -0.231) 1.131 6.767 ( -1.094 -0.970 1.480) 2.081 6.836 ( 1.762 0.828 -1.783) 2.640 6.947 ( 1.887 -0.787 -0.601) 2.131 7.010 ( -0.134 3.134 3.103) 4.413 7.029 ( 0.081 1.198 0.687) 1.383 7.221 ( 4.375 5.463 -2.591) 7.463 7.420 ( -2.405 3.106 1.735) 4.295 7.441 ( -4.282 1.480 1.240) 4.697 7.552 ( 2.161 -2.313 4.834) 5.778 7.868 ( -1.701 -4.889 -1.051) 5.282 7.907 ( 4.858 -3.614 -0.622) 6.087 7.978 ( 2.352 -0.541 -0.829) 2.552 8.106 ( 1.069 2.828 0.224) 3.032 8.131 ( 2.194 -0.288 0.961) 2.412 8.271 ( 4.550 -1.431 -2.080) 5.204 8.350 ( 2.562 3.794 -2.031) 5.008 8.435 ( -0.453 4.143 -3.861) 5.681 8.681 ( -1.827 4.704 -1.642) 5.307 8.811 ( -4.330 0.057 -2.275) 4.891 8.877 ( 2.169 -0.898 0.191) 2.355 8.942 ( 1.005 0.284 0.204) 1.064 8.994 ( 0.745 -0.481 3.692) 3.797 9.028 ( 1.637 -0.403 -0.659) 1.810 9.124 ( 3.663 -1.172 -1.444) 4.108 9.207 ( 3.058 -1.603 0.934) 3.577 9.267 ( 1.639 3.131 -1.744) 3.941 9.448 ( -0.386 5.676 0.322) 5.698 9.515 ( -1.390 -1.311 6.360) 6.640 9.616 ( 1.390 0.505 2.027) 2.509 9.668 ( 1.966 -2.578 -1.205) 3.459 9.730 ( 0.423 -0.212 -3.924) 3.953 9.809 ( -0.818 0.520 -0.047) 0.971 9.828 ( -0.620 -5.038 0.031) 5.076 10.003 ( -1.084 -1.100 -0.381) 1.590 10.081 ( -1.293 2.078 0.787) 2.571 10.112 ( 1.055 5.098 -4.208) 6.694 10.154 ( 4.019 4.097 2.613) 6.306 10.266 ( 2.611 -2.146 2.479) 4.191 10.353 ( 1.694 -2.799 -0.955) 3.408 10.392 ( -2.485 -4.623 -2.257) 5.713 10.444 ( 2.000 -1.993 1.416) 3.159 10.523 ( 1.862 0.771 -4.532) 4.960 10.603 ( 1.014 -2.532 -1.655) 3.190 10.658 ( -3.314 -2.448 -2.057) 4.605 10.724 ( -3.444 -0.190 -1.046) 3.604 10.831 ( 0.596 -1.778 1.814) 2.609 10.879 ( -0.223 -1.696 1.786) 2.474 10.929 ( 1.799 2.661 1.464) 3.530 11.073 ( -0.025 0.258 1.596) 1.617 11.197 ( -2.063 4.374 0.320) 4.847 11.310 ( -5.633 -2.090 -1.225) 6.132 11.355 ( -4.636 -2.156 3.578) 6.240 11.399 ( 1.887 -0.719 -6.156) 6.479 11.636 ( 0.715 0.148 2.804) 2.897 11.693 ( -1.199 -1.762 -0.194) 2.140 11.734 ( 0.072 -0.762 -0.321) 0.830 11.841 ( -1.975 3.160 -3.388) 5.037 12.045 ( 1.315 1.392 -1.098) 2.207 12.088 ( 3.644 2.051 1.541) 4.456 12.277 ( -0.423 -3.491 0.995) 3.654 12.544 ( -5.352 5.972 -6.321) 10.211 12.895 ( 1.484 -10.461 -3.079) 11.005 13.047 ( -0.490 6.152 1.570) 6.368 13.186 ( 5.936 -10.782 0.862) 12.338 13.662 ( 2.290 -12.507 1.949) 12.864 13.815 ( -0.212 -3.044 -0.802) 3.155 13.885 ( 0.605 -3.527 4.959) 6.116 14.173 ( -1.419 -0.512 -4.694) 4.931 14.225 ( -3.960 1.412 -1.237) 4.382 14.429 ( -0.151 3.505 -0.646) 3.567 14.562 ( 1.249 0.142 7.767) 7.868 14.798 ( 1.219 0.512 3.645) 3.878 14.881 ( -1.471 3.388 -3.190) 4.881 15.012 ( 2.443 2.363 -0.434) 3.426 15.085 ( 0.939 -2.244 0.637) 2.515 15.301 ( 2.292 5.117 0.367) 5.619 15.507 ( 0.168 0.044 0.318) 0.362 17.162 ( -3.252 9.554 -1.045) 10.146 17.376 ( -0.258 5.123 -1.098) 5.246 17.491 ( 2.822 2.493 -1.145) 3.936 17.650 ( 0.785 2.544 -0.608) 2.731 18.011 ( 11.558 1.966 -0.796) 11.751 18.146 ( 5.417 4.253 -4.625) 8.295 18.583 ( -2.179 -9.838 0.885) 10.115 18.649 ( -3.219 -4.817 -0.711) 5.837 18.871 ( 4.473 0.284 -0.497) 4.509 19.051 ( 3.255 -2.018 -2.427) 4.534 19.263 ( 3.695 -6.473 -3.999) 8.459 19.400 ( -2.839 -5.106 -2.269) 6.267 19.541 ( 4.437 7.163 -5.702) 10.174 19.696 ( -1.427 6.977 1.683) 7.318 19.792 ( 2.777 0.298 1.685) 3.262 19.833 ( -1.640 -1.147 2.331) 3.072 20.256 ( -5.719 -7.748 2.596) 9.974 20.332 ( -4.101 -4.558 25.066) 25.805 20.644 ( -7.478 4.682 0.777) 8.857 20.697 ( -3.678 -1.114 -4.315) 5.778 20.826 ( -3.488 5.737 -3.606) 7.621 21.027 ( -4.761 -1.405 -2.319) 5.479 21.118 ( -2.434 5.361 1.540) 6.086 21.470 ( -8.263 -2.197 0.615) 8.572 22.488 ( 1.285 0.460 -1.176) 1.801 22.517 ( 3.395 0.324 1.102) 3.584 22.540 ( 0.703 -0.942 -0.576) 1.308 22.568 ( 2.445 -1.010 0.304) 2.663 ======================= Grid point 10 (8/54) ======================= q-point: ( 0.43 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( -0.476 -0.558 -4.668) 4.726 1.244 ( -2.245 -0.155 -2.774) 3.572 1.592 ( 15.396 2.749 2.254) 15.801 1.648 ( 6.615 -0.729 3.167) 7.371 1.775 ( 8.881 7.265 7.188) 13.539 1.892 ( 5.738 0.137 2.091) 6.108 2.053 ( -10.987 -0.451 -5.224) 12.174 2.157 ( -9.099 3.346 -6.896) 11.897 2.223 ( -6.639 4.073 -4.339) 8.916 2.302 ( 5.102 -1.730 -1.238) 5.527 2.415 ( 1.105 -3.352 -1.789) 3.957 2.436 ( 2.433 -4.294 1.441) 5.141 2.492 ( 1.018 -4.593 1.332) 4.889 2.539 ( -0.639 -3.308 -1.950) 3.893 2.572 ( -1.922 0.391 -1.776) 2.646 2.600 ( -1.352 0.549 -1.381) 2.009 2.677 ( -1.404 0.491 -3.561) 3.860 2.714 ( -0.750 -4.767 -1.244) 4.984 2.799 ( -1.277 0.291 0.237) 1.331 2.893 ( 3.274 1.024 -1.138) 3.614 2.909 ( -1.804 0.814 -0.341) 2.008 3.008 ( -1.836 -1.140 2.306) 3.160 3.144 ( 3.478 -2.784 2.411) 5.065 3.155 ( 5.809 1.560 1.361) 6.167 3.180 ( 1.133 -3.038 4.406) 5.470 3.281 ( -0.046 9.632 -2.247) 9.890 3.310 ( -1.328 -0.672 3.864) 4.141 3.374 ( 2.248 5.720 4.504) 7.620 3.410 ( 8.394 7.117 2.612) 11.311 3.469 ( 12.375 6.641 -0.480) 14.053 3.521 ( 2.155 2.773 -0.009) 3.512 3.562 ( 0.853 5.494 -1.437) 5.743 3.603 ( 2.262 1.253 1.820) 3.162 3.672 ( 3.449 -3.393 3.314) 5.865 3.744 ( -0.628 -1.769 -2.546) 3.164 3.814 ( 0.041 -2.740 2.849) 3.953 3.909 ( -3.200 1.276 -2.529) 4.274 3.943 ( 8.458 0.203 -6.674) 10.776 3.990 ( 0.200 3.134 1.898) 3.670 4.064 ( 0.032 3.797 0.425) 3.821 4.081 ( -2.545 1.835 -1.782) 3.608 4.144 ( -6.909 1.030 4.124) 8.112 4.160 ( 1.553 1.884 3.975) 4.665 4.290 ( 6.252 -6.419 1.797) 9.139 4.322 ( -7.443 0.148 1.823) 7.664 4.451 ( -1.001 0.751 -2.512) 2.806 4.512 ( -5.105 -0.845 -6.868) 8.599 4.550 ( 6.716 -6.694 0.621) 9.503 4.657 ( 5.115 3.514 -1.375) 6.357 4.712 ( 0.875 -1.512 -1.788) 2.500 4.755 ( -3.346 -1.902 -3.378) 5.121 4.867 ( 0.284 3.047 -3.171) 4.407 4.925 ( -2.537 1.842 -0.280) 3.147 4.964 ( -6.846 5.980 0.048) 9.090 5.002 ( 0.600 3.206 -0.241) 3.271 5.177 ( 4.826 2.809 7.825) 9.614 5.259 ( -1.732 -2.501 2.202) 3.756 5.298 ( 0.636 -4.365 -2.543) 5.092 5.333 ( -5.391 0.231 -5.018) 7.369 5.420 ( -3.672 -0.015 3.418) 5.017 5.515 ( 1.815 -2.165 1.049) 3.014 5.601 ( -4.927 -6.190 1.551) 8.062 5.668 ( 0.946 -0.685 3.465) 3.657 5.756 ( -0.383 -1.905 -2.532) 3.191 5.865 ( 1.109 1.010 -0.247) 1.520 5.874 ( 0.664 -0.966 -1.274) 1.732 5.928 ( -2.763 -0.389 1.330) 3.091 5.969 ( -3.541 -0.845 -3.234) 4.870 5.995 ( -4.766 1.285 -0.914) 5.020 6.273 ( -1.852 -5.104 0.862) 5.498 6.296 ( 0.125 0.334 0.503) 0.617 6.487 ( -1.710 -3.133 1.219) 3.772 6.526 ( -1.105 4.928 -0.693) 5.098 6.645 ( 1.646 1.886 -0.667) 2.591 6.726 ( -1.413 -1.867 -0.497) 2.393 6.758 ( 0.363 -2.041 -0.792) 2.219 6.887 ( 1.573 0.277 1.018) 1.894 6.958 ( 0.243 -1.298 -1.770) 2.208 7.008 ( -1.247 2.243 2.288) 3.439 7.038 ( 0.995 1.947 -0.610) 2.270 7.274 ( 2.046 2.400 -1.246) 3.391 7.344 ( -4.560 2.565 0.467) 5.252 7.405 ( -0.280 3.951 1.280) 4.163 7.611 ( 1.212 -2.538 1.407) 3.145 7.811 ( -1.667 -4.747 -1.325) 5.203 7.938 ( 0.529 -2.386 -0.787) 2.567 8.070 ( 3.676 -1.802 1.513) 4.365 8.117 ( 0.454 -4.172 -1.146) 4.350 8.152 ( 0.395 4.686 0.635) 4.745 8.363 ( 2.044 2.961 0.362) 3.616 8.374 ( 2.879 2.975 -0.739) 4.206 8.418 ( 0.152 2.765 -2.454) 3.700 8.638 ( -1.305 1.928 -0.972) 2.523 8.693 ( -4.913 -0.162 -0.875) 4.993 8.852 ( -2.237 -0.746 0.580) 2.429 8.966 ( 1.126 -1.604 -0.270) 1.978 9.064 ( 2.796 0.980 -0.191) 2.969 9.094 ( 4.082 1.987 3.879) 5.972 9.162 ( 0.667 0.892 -2.732) 2.951 9.254 ( 1.391 4.437 0.369) 4.665 9.306 ( 1.620 -2.202 -1.117) 2.953 9.426 ( -1.197 6.226 1.655) 6.552 9.540 ( -0.047 -1.497 0.872) 1.734 9.626 ( -1.869 2.660 -3.297) 4.630 9.648 ( 0.802 -1.370 0.911) 1.830 9.733 ( -0.192 -1.246 1.284) 1.799 9.822 ( 1.395 -5.162 -3.091) 6.177 9.829 ( 0.006 -2.826 4.397) 5.227 9.972 ( -1.709 -3.195 0.576) 3.669 10.069 ( 0.238 5.680 -1.368) 5.847 10.120 ( 1.197 2.233 0.028) 2.534 10.221 ( 0.797 2.776 4.370) 5.239 10.270 ( -1.132 2.473 -3.563) 4.483 10.321 ( -1.587 -7.330 -1.477) 7.644 10.408 ( 4.761 -1.707 -0.516) 5.084 10.470 ( 0.021 1.929 -0.721) 2.059 10.537 ( -5.540 -2.924 -1.126) 6.365 10.590 ( 3.769 1.915 0.927) 4.328 10.630 ( -0.616 -1.524 -0.721) 1.794 10.696 ( 1.327 -0.750 -1.218) 1.951 10.849 ( -0.025 0.132 2.122) 2.126 10.878 ( -0.670 -3.011 0.422) 3.113 10.987 ( 3.414 0.779 0.055) 3.503 11.076 ( 0.643 0.769 0.736) 1.244 11.145 ( -3.629 2.088 -0.796) 4.261 11.205 ( -4.488 -3.062 -0.177) 5.436 11.306 ( -1.099 1.790 0.897) 2.284 11.403 ( 0.664 -0.934 -1.207) 1.664 11.629 ( -0.577 -2.824 -0.544) 2.933 11.695 ( -0.638 -0.264 0.489) 0.846 11.753 ( 1.007 3.033 2.514) 4.066 11.808 ( 0.450 3.350 -2.743) 4.353 12.022 ( -1.008 7.394 -0.318) 7.470 12.189 ( 4.356 -3.548 0.596) 5.650 12.260 ( -1.962 -2.238 0.692) 3.056 12.418 ( -3.601 6.130 -3.258) 7.820 12.901 ( 0.620 -10.430 -1.197) 10.517 13.050 ( -0.160 6.172 0.979) 6.251 13.253 ( 1.401 -15.879 -0.197) 15.942 13.679 ( -0.218 -10.079 -0.139) 10.083 13.859 ( 3.426 -4.900 1.195) 6.097 13.934 ( 0.618 -5.738 2.648) 6.349 14.109 ( -2.002 1.404 -1.909) 3.102 14.158 ( -2.126 1.208 -0.924) 2.614 14.419 ( -0.403 5.024 -0.159) 5.042 14.610 ( 0.376 0.182 2.430) 2.466 14.832 ( -0.391 2.815 4.561) 5.374 14.849 ( 0.587 4.315 -4.571) 6.314 15.047 ( 1.134 2.000 0.001) 2.299 15.100 ( 0.308 -2.119 0.274) 2.159 15.336 ( 1.057 4.194 0.162) 4.328 15.510 ( 0.074 0.710 0.051) 0.716 17.112 ( -1.282 10.553 -0.692) 10.653 17.354 ( -0.720 8.447 -0.621) 8.500 17.535 ( 1.595 0.795 -0.184) 1.791 17.651 ( 0.011 3.020 -0.328) 3.038 18.189 ( 6.095 -0.997 0.145) 6.178 18.295 ( 11.998 -2.792 -2.187) 12.511 18.510 ( -10.100 -5.260 -0.166) 11.389 18.550 ( -2.727 -9.407 1.206) 9.868 18.915 ( 0.985 2.378 -0.283) 2.590 19.103 ( 2.691 -4.624 -1.197) 5.482 19.301 ( 1.779 -6.069 -0.131) 6.326 19.341 ( -1.683 -5.641 -2.096) 6.249 19.595 ( 3.800 7.658 -3.777) 9.346 19.660 ( -2.180 7.140 1.676) 7.651 19.829 ( -0.126 -0.936 1.370) 1.664 19.873 ( 2.475 3.534 1.367) 4.526 20.192 ( -2.698 -7.936 1.789) 8.571 20.395 ( -1.636 -4.348 10.413) 11.402 20.520 ( -4.298 6.926 -0.853) 8.196 20.623 ( -0.524 -1.352 -3.508) 3.796 20.787 ( -0.410 4.191 0.134) 4.213 20.923 ( -3.460 -0.517 -2.019) 4.039 21.097 ( -0.682 2.401 0.678) 2.586 21.343 ( -4.482 -2.755 0.060) 5.261 22.504 ( 0.839 0.246 -0.474) 0.995 22.539 ( -0.049 -0.653 -0.323) 0.730 22.573 ( 1.466 0.256 0.502) 1.571 22.603 ( 0.967 -0.639 0.188) 1.175 ======================= Grid point 14 (9/54) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( 0.000 24.439 0.000) 24.439 1.064 ( 0.000 26.107 0.000) 26.107 1.360 ( 0.000 -13.880 0.000) 13.880 1.462 ( 0.000 -16.744 0.000) 16.744 1.590 ( 0.000 0.183 0.000) 0.183 1.677 ( 0.000 -8.126 0.000) 8.126 1.904 ( 0.000 9.621 0.000) 9.621 1.945 ( 0.000 -0.829 0.000) 0.829 2.132 ( 0.000 17.492 0.000) 17.492 2.192 ( 0.000 4.063 0.000) 4.063 2.292 ( 0.000 29.189 0.000) 29.189 2.363 ( 0.000 -1.130 0.000) 1.130 2.368 ( 0.000 -2.610 0.000) 2.610 2.459 ( 0.000 1.578 0.000) 1.578 2.491 ( 0.000 -1.202 0.000) 1.202 2.539 ( 0.000 -1.540 0.000) 1.540 2.611 ( 0.000 -8.105 0.000) 8.105 2.901 ( 0.000 0.477 0.000) 0.477 2.956 ( 0.000 3.694 0.000) 3.694 2.957 ( 0.000 -1.682 0.000) 1.682 3.021 ( 0.000 3.089 0.000) 3.089 3.059 ( 0.000 -6.460 0.000) 6.460 3.111 ( 0.000 -2.557 0.000) 2.557 3.117 ( 0.000 -1.977 0.000) 1.977 3.142 ( 0.000 -1.858 0.000) 1.858 3.146 ( 0.000 -1.905 0.000) 1.905 3.219 ( 0.000 -1.992 0.000) 1.992 3.265 ( 0.000 3.093 0.000) 3.093 3.297 ( 0.000 0.934 0.000) 0.934 3.344 ( 0.000 -26.769 0.000) 26.769 3.428 ( 0.000 0.800 0.000) 0.800 3.463 ( 0.000 -2.630 0.000) 2.630 3.465 ( 0.000 6.856 0.000) 6.856 3.570 ( 0.000 -4.840 0.000) 4.840 3.656 ( 0.000 11.458 0.000) 11.458 3.700 ( 0.000 3.148 0.000) 3.148 3.729 ( 0.000 2.019 0.000) 2.019 3.779 ( 0.000 4.173 0.000) 4.173 3.805 ( 0.000 -5.865 0.000) 5.865 3.896 ( 0.000 -6.401 0.000) 6.401 4.013 ( 0.000 5.509 0.000) 5.509 4.033 ( 0.000 -1.463 0.000) 1.463 4.090 ( 0.000 2.248 0.000) 2.248 4.211 ( 0.000 -5.601 0.000) 5.601 4.393 ( 0.000 5.282 0.000) 5.282 4.409 ( 0.000 4.603 0.000) 4.603 4.477 ( 0.000 0.343 0.000) 0.343 4.487 ( 0.000 0.076 0.000) 0.076 4.515 ( 0.000 -9.407 0.000) 9.407 4.545 ( 0.000 -8.816 0.000) 8.816 4.769 ( 0.000 2.218 0.000) 2.218 4.808 ( 0.000 1.222 0.000) 1.222 5.104 ( 0.000 1.931 0.000) 1.931 5.120 ( 0.000 -0.694 0.000) 0.694 5.126 ( 0.000 2.133 0.000) 2.133 5.185 ( 0.000 -5.659 0.000) 5.659 5.247 ( 0.000 4.034 0.000) 4.034 5.342 ( 0.000 -5.681 0.000) 5.681 5.430 ( 0.000 4.412 0.000) 4.412 5.547 ( 0.000 -7.619 0.000) 7.619 5.579 ( 0.000 -0.281 0.000) 0.281 5.616 ( 0.000 -2.851 0.000) 2.851 5.898 ( 0.000 4.963 0.000) 4.963 5.935 ( 0.000 -0.012 0.000) 0.012 6.022 ( 0.000 1.347 0.000) 1.347 6.086 ( 0.000 -5.008 0.000) 5.008 6.099 ( 0.000 11.652 0.000) 11.652 6.221 ( 0.000 -1.078 0.000) 1.078 6.452 ( 0.000 0.435 0.000) 0.435 6.484 ( 0.000 -2.012 0.000) 2.012 6.548 ( 0.000 3.804 0.000) 3.804 6.594 ( 0.000 1.136 0.000) 1.136 6.626 ( 0.000 -0.727 0.000) 0.727 6.627 ( 0.000 -2.865 0.000) 2.865 6.755 ( 0.000 2.482 0.000) 2.482 6.778 ( 0.000 0.264 0.000) 0.264 6.878 ( 0.000 -0.148 0.000) 0.148 6.902 ( 0.000 -2.587 0.000) 2.587 7.093 ( 0.000 2.607 0.000) 2.607 7.105 ( 0.000 -0.056 0.000) 0.056 7.107 ( 0.000 -0.171 0.000) 0.171 7.131 ( 0.000 -1.597 0.000) 1.597 7.571 ( 0.000 5.192 0.000) 5.192 7.643 ( 0.000 -2.725 0.000) 2.725 7.733 ( 0.000 5.969 0.000) 5.969 7.792 ( 0.000 -0.464 0.000) 0.464 7.836 ( 0.000 0.481 0.000) 0.481 7.910 ( 0.000 -6.307 0.000) 6.307 8.205 ( 0.000 5.768 0.000) 5.768 8.342 ( 0.000 -8.871 0.000) 8.871 8.424 ( 0.000 7.132 0.000) 7.132 8.553 ( 0.000 -7.032 0.000) 7.032 8.600 ( 0.000 2.720 0.000) 2.720 8.652 ( 0.000 -3.248 0.000) 3.248 8.807 ( 0.000 8.961 0.000) 8.961 8.905 ( 0.000 -0.943 0.000) 0.943 9.021 ( 0.000 2.598 0.000) 2.598 9.061 ( 0.000 1.424 0.000) 1.424 9.071 ( 0.000 -1.997 0.000) 1.997 9.150 ( 0.000 -7.897 0.000) 7.897 9.331 ( 0.000 2.397 0.000) 2.397 9.368 ( 0.000 -1.566 0.000) 1.566 9.560 ( 0.000 0.951 0.000) 0.951 9.582 ( 0.000 -0.680 0.000) 0.680 9.651 ( 0.000 1.253 0.000) 1.253 9.673 ( 0.000 1.257 0.000) 1.257 9.780 ( 0.000 -2.751 0.000) 2.751 9.783 ( 0.000 -0.456 0.000) 0.456 9.980 ( 0.000 4.039 0.000) 4.039 10.041 ( 0.000 -0.165 0.000) 0.165 10.121 ( 0.000 6.280 0.000) 6.280 10.199 ( 0.000 0.573 0.000) 0.573 10.206 ( 0.000 4.027 0.000) 4.027 10.274 ( 0.000 -3.545 0.000) 3.545 10.358 ( 0.000 -6.937 0.000) 6.937 10.366 ( 0.000 -6.676 0.000) 6.676 10.510 ( 0.000 6.671 0.000) 6.671 10.649 ( 0.000 -5.866 0.000) 5.866 10.689 ( 0.000 6.765 0.000) 6.765 10.727 ( 0.000 -0.448 0.000) 0.448 10.736 ( 0.000 -3.294 0.000) 3.294 10.816 ( 0.000 -5.923 0.000) 5.923 10.990 ( 0.000 1.952 0.000) 1.952 11.017 ( 0.000 -0.590 0.000) 0.590 11.278 ( 0.000 -0.173 0.000) 0.173 11.282 ( 0.000 -0.599 0.000) 0.599 11.465 ( 0.000 5.207 0.000) 5.207 11.539 ( 0.000 3.867 0.000) 3.867 11.610 ( 0.000 -1.663 0.000) 1.663 11.665 ( 0.000 -3.408 0.000) 3.408 11.682 ( 0.000 4.125 0.000) 4.125 11.785 ( 0.000 -4.734 0.000) 4.734 12.006 ( 0.000 2.070 0.000) 2.070 12.093 ( 0.000 -7.731 0.000) 7.731 12.326 ( 0.000 14.594 0.000) 14.594 12.590 ( 0.000 -13.796 0.000) 13.796 12.830 ( 0.000 4.988 0.000) 4.988 12.921 ( 0.000 -4.839 0.000) 4.839 13.252 ( 0.000 11.642 0.000) 11.642 13.459 ( 0.000 -10.407 0.000) 10.407 13.795 ( 0.000 1.508 0.000) 1.508 13.843 ( 0.000 -3.605 0.000) 3.605 14.209 ( 0.000 6.468 0.000) 6.468 14.326 ( 0.000 -5.502 0.000) 5.502 14.475 ( 0.000 4.056 0.000) 4.056 14.505 ( 0.000 0.506 0.000) 0.506 14.706 ( 0.000 4.342 0.000) 4.342 14.832 ( 0.000 -8.009 0.000) 8.009 15.031 ( 0.000 2.885 0.000) 2.885 15.066 ( 0.000 -1.155 0.000) 1.155 15.356 ( 0.000 5.979 0.000) 5.979 15.445 ( 0.000 -3.641 0.000) 3.641 17.349 ( 0.000 4.742 0.000) 4.742 17.407 ( 0.000 4.230 0.000) 4.230 17.430 ( 0.000 -3.525 0.000) 3.525 17.494 ( 0.000 -5.074 0.000) 5.074 17.994 ( 0.000 20.074 0.000) 20.074 18.387 ( 0.000 -20.759 0.000) 20.759 18.572 ( 0.000 -0.037 0.000) 0.037 18.579 ( 0.000 -0.709 0.000) 0.709 18.700 ( 0.000 -0.091 0.000) 0.091 18.711 ( 0.000 -2.070 0.000) 2.070 19.372 ( 0.000 3.237 0.000) 3.237 19.434 ( 0.000 -2.962 0.000) 2.962 19.666 ( 0.000 1.488 0.000) 1.488 19.673 ( 0.000 0.703 0.000) 0.703 19.824 ( 0.000 -0.636 0.000) 0.636 19.828 ( 0.000 -1.096 0.000) 1.096 20.195 ( 0.000 6.268 0.000) 6.268 20.318 ( 0.000 -7.198 0.000) 7.198 20.731 ( 0.000 -0.177 0.000) 0.177 20.747 ( 0.000 -1.578 0.000) 1.578 21.129 ( 0.000 3.853 0.000) 3.853 21.178 ( 0.000 -1.519 0.000) 1.519 21.358 ( 0.000 13.806 0.000) 13.806 21.589 ( 0.000 -11.177 0.000) 11.177 22.423 ( 0.000 0.958 0.000) 0.958 22.442 ( 0.000 -0.965 0.000) 0.965 22.495 ( 0.000 0.637 0.000) 0.637 22.508 ( 0.000 -0.758 0.000) 0.758 ======================= Grid point 15 (10/54) ======================= q-point: ( 0.14 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( 6.142 14.042 -3.534) 15.729 1.126 ( 10.983 18.343 -3.642) 21.688 1.356 ( -3.525 -5.057 -4.750) 7.782 1.480 ( 8.715 -8.639 -0.206) 12.273 1.697 ( 0.866 -2.976 10.810) 11.246 1.745 ( 10.410 -8.151 5.394) 14.279 1.893 ( 1.466 7.804 -2.693) 8.385 1.936 ( 0.453 -0.559 -6.354) 6.394 2.235 ( 6.271 8.345 0.009) 10.438 2.269 ( 4.911 7.604 3.047) 9.551 2.345 ( 4.358 2.053 -3.744) 6.101 2.384 ( 4.072 -2.684 -5.242) 7.160 2.427 ( 9.170 20.631 2.071) 22.672 2.508 ( 5.435 1.172 0.378) 5.572 2.543 ( 4.680 -3.381 1.443) 5.951 2.618 ( 5.537 1.155 5.889) 8.166 2.681 ( 3.827 -4.278 3.599) 6.775 2.810 ( -6.326 -2.104 -0.348) 6.676 2.869 ( -6.405 3.053 -4.228) 8.259 2.895 ( -5.303 -0.407 -3.153) 6.183 2.962 ( -5.471 3.542 -2.970) 7.162 3.028 ( -4.582 -5.257 2.548) 7.424 3.076 ( -3.445 -1.853 -6.236) 7.361 3.087 ( -1.524 -1.288 -3.173) 3.748 3.153 ( 2.034 -0.132 1.537) 2.553 3.178 ( -2.226 -3.769 3.022) 5.319 3.243 ( 2.821 0.995 0.658) 3.063 3.314 ( 7.027 0.828 -0.751) 7.116 3.324 ( 3.672 -3.165 -0.863) 4.924 3.387 ( 0.342 -3.621 4.453) 5.750 3.429 ( 0.194 1.640 4.421) 4.719 3.490 ( 7.079 -8.115 0.719) 10.793 3.576 ( 9.028 -4.576 -3.390) 10.674 3.589 ( 0.243 -2.015 1.438) 2.487 3.622 ( -3.957 5.803 3.302) 7.761 3.695 ( 3.954 6.155 -2.083) 7.606 3.749 ( -0.884 -1.799 -1.145) 2.309 3.780 ( 1.801 2.127 0.413) 2.818 3.856 ( 4.066 -2.730 4.674) 6.770 3.891 ( 0.851 -5.430 0.261) 5.502 4.024 ( -0.158 1.868 0.617) 1.974 4.090 ( 3.751 -4.463 1.994) 6.162 4.174 ( 7.516 4.627 -2.066) 9.064 4.233 ( 1.040 -1.140 -0.420) 1.600 4.335 ( -4.171 7.615 1.427) 8.799 4.396 ( -0.174 3.629 -2.049) 4.171 4.470 ( -0.537 -0.828 0.959) 1.376 4.520 ( 0.168 -11.582 1.554) 11.687 4.559 ( 4.862 -2.249 2.508) 5.915 4.591 ( 2.997 -4.674 3.621) 6.628 4.781 ( 3.290 3.237 -5.364) 7.076 4.831 ( 3.091 0.319 -8.445) 8.999 5.049 ( -1.430 5.622 1.533) 6.000 5.108 ( -0.601 2.776 2.046) 3.501 5.164 ( -2.727 1.955 -0.009) 3.355 5.200 ( -0.436 -2.735 0.185) 2.776 5.212 ( 2.029 -3.423 -1.962) 4.436 5.302 ( -3.487 -6.736 -2.944) 8.136 5.449 ( 0.343 3.083 -1.378) 3.394 5.517 ( -3.797 -2.304 -0.112) 4.443 5.542 ( -2.199 -2.295 -3.226) 4.528 5.586 ( -2.344 -5.503 4.589) 7.539 5.864 ( -3.305 4.269 -1.651) 5.646 5.898 ( -5.042 0.239 1.784) 5.353 5.970 ( -5.073 1.959 0.448) 5.457 6.001 ( -5.132 2.013 -2.247) 5.953 6.139 ( 0.360 2.470 2.228) 3.346 6.183 ( -3.363 0.565 -1.545) 3.744 6.347 ( -10.412 2.974 1.321) 10.908 6.413 ( -7.703 -3.251 -0.864) 8.406 6.438 ( -7.072 2.926 -2.738) 8.129 6.497 ( -5.604 -2.648 -0.402) 6.211 6.605 ( 0.454 3.741 -2.246) 4.387 6.672 ( 1.428 -2.790 -2.385) 3.938 6.749 ( -0.017 1.409 -1.064) 1.765 6.772 ( 0.017 -0.347 0.065) 0.354 6.897 ( 0.952 1.159 -5.793) 5.984 6.916 ( 0.573 -0.276 -0.021) 0.636 7.006 ( -2.459 0.435 5.281) 5.841 7.026 ( -1.746 -0.950 8.303) 8.538 7.248 ( 6.616 4.436 -1.322) 8.075 7.310 ( 8.853 -2.332 1.367) 9.256 7.562 ( -2.652 4.770 2.944) 6.201 7.637 ( -6.878 0.880 2.215) 7.279 7.703 ( 4.179 1.780 0.606) 4.582 7.822 ( 1.188 -6.943 -1.690) 7.244 7.961 ( 7.771 2.110 0.353) 8.061 7.991 ( 8.888 -1.487 0.002) 9.012 8.148 ( -2.985 3.150 -0.720) 4.399 8.221 ( -5.306 -4.004 -3.255) 7.401 8.429 ( -1.454 4.108 0.261) 4.366 8.494 ( -1.417 -1.905 -1.609) 2.868 8.725 ( 5.980 0.952 0.914) 6.124 8.754 ( 7.370 -1.645 1.274) 7.658 8.880 ( 4.666 1.932 -0.475) 5.072 8.903 ( 3.532 1.608 -3.636) 5.318 9.009 ( -3.526 -0.132 1.422) 3.804 9.015 ( -2.813 -1.309 -0.154) 3.107 9.052 ( 1.257 4.852 -1.253) 5.166 9.191 ( -1.312 -6.587 -0.185) 6.719 9.316 ( 1.852 -1.279 2.784) 3.580 9.325 ( -3.183 -0.563 1.579) 3.597 9.577 ( 1.707 1.519 1.963) 3.012 9.591 ( 0.953 0.757 1.043) 1.603 9.646 ( -0.426 2.529 -1.703) 3.079 9.703 ( 2.552 -2.545 -5.286) 6.397 9.777 ( -0.527 -0.284 2.264) 2.342 9.816 ( 2.099 -2.429 -0.112) 3.212 10.010 ( 1.802 4.332 1.801) 5.026 10.079 ( 1.425 -1.904 2.041) 3.134 10.156 ( 2.886 3.773 0.347) 4.763 10.197 ( 2.836 5.878 -4.752) 8.074 10.214 ( 1.343 1.970 -1.785) 2.978 10.278 ( -0.536 -1.035 1.275) 1.727 10.314 ( -2.654 -7.480 -0.824) 7.980 10.388 ( 2.996 -8.587 -0.465) 9.106 10.498 ( -1.439 5.731 -0.348) 5.920 10.622 ( -2.937 -4.089 -2.433) 5.591 10.655 ( 0.705 1.015 -4.301) 4.476 10.721 ( 0.969 -3.677 -3.808) 5.382 10.772 ( -0.172 1.239 5.108) 5.259 10.822 ( -0.702 -3.403 3.252) 4.759 10.995 ( 0.549 3.128 0.066) 3.177 11.039 ( 1.615 -1.240 0.665) 2.142 11.280 ( -0.090 1.636 1.203) 2.033 11.309 ( 1.034 -2.245 3.022) 3.904 11.423 ( -5.345 2.496 1.705) 6.140 11.453 ( -6.090 1.006 -2.753) 6.759 11.628 ( 1.385 -0.884 0.732) 1.799 11.640 ( 0.772 0.348 -1.424) 1.657 11.724 ( 0.388 1.219 0.738) 1.477 11.807 ( 3.145 -5.794 -1.852) 6.847 11.998 ( 0.519 4.475 -1.119) 4.642 12.109 ( 0.768 -7.148 0.348) 7.198 12.338 ( 1.170 13.970 -0.562) 14.030 12.601 ( 2.415 -13.721 -4.397) 14.610 12.811 ( -2.008 6.163 -1.525) 6.658 12.939 ( 1.589 -7.091 -0.615) 7.292 13.234 ( -1.977 11.368 1.637) 11.654 13.438 ( -1.845 -10.298 1.667) 10.594 13.782 ( -1.137 0.160 1.411) 1.820 13.819 ( -2.713 -3.581 2.003) 4.919 14.219 ( 1.145 3.902 -4.155) 5.814 14.297 ( -1.889 -3.757 -3.866) 5.712 14.488 ( 0.060 4.101 3.846) 5.623 14.518 ( 0.137 0.789 5.933) 5.987 14.752 ( 3.293 3.181 2.070) 5.024 14.849 ( 1.478 -6.431 0.109) 6.600 15.035 ( 0.702 2.429 -0.522) 2.582 15.060 ( 0.013 -0.546 -0.830) 0.994 15.371 ( 1.337 5.824 0.321) 5.984 15.458 ( 0.969 -3.543 0.572) 3.717 17.350 ( -0.085 5.934 0.638) 5.969 17.409 ( 1.490 1.507 -0.066) 2.121 17.482 ( 3.749 0.184 -0.582) 3.798 17.544 ( 4.446 -4.947 0.605) 6.679 18.017 ( 2.682 16.041 0.056) 16.264 18.329 ( -3.538 -13.266 -4.747) 14.527 18.474 ( -5.695 3.741 1.286) 6.935 18.579 ( -1.307 -5.605 -0.962) 5.835 18.769 ( 6.593 1.978 0.461) 6.898 18.838 ( 8.073 -6.066 3.014) 10.538 19.310 ( -2.869 4.036 -8.141) 9.529 19.390 ( -3.131 -4.359 -4.000) 6.693 19.650 ( 2.312 4.844 -7.841) 9.502 19.694 ( 3.638 -0.029 -2.152) 4.227 19.808 ( -2.394 0.384 2.546) 3.516 19.824 ( -1.640 -1.410 2.771) 3.515 20.203 ( -3.568 1.317 13.631) 14.152 20.260 ( -6.258 -4.787 4.638) 9.143 20.728 ( -1.198 -0.083 0.396) 1.265 20.742 ( -1.238 -1.316 0.104) 1.810 21.062 ( -5.534 4.215 -3.297) 7.699 21.113 ( -4.986 -1.404 -2.832) 5.903 21.330 ( -3.942 11.578 2.260) 12.438 21.524 ( -6.563 -8.782 1.048) 11.014 22.455 ( 2.820 0.939 0.860) 3.094 22.476 ( 2.885 -1.305 0.466) 3.201 22.497 ( 0.664 0.879 -0.796) 1.359 22.515 ( 0.931 -1.052 -0.574) 1.518 ======================= Grid point 16 (11/54) ======================= q-point: ( 0.29 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( 2.261 2.125 -5.355) 6.189 1.228 ( 2.319 -3.993 -3.354) 5.706 1.437 ( 12.375 14.042 4.147) 19.170 1.612 ( 4.584 3.180 -2.730) 6.211 1.752 ( 1.517 1.803 7.299) 7.670 1.861 ( -2.113 -3.140 -5.014) 6.282 1.989 ( 6.632 -3.618 1.213) 7.652 2.006 ( 11.608 -6.781 3.257) 13.833 2.282 ( 1.434 3.794 -3.442) 5.320 2.341 ( 2.372 -3.283 -1.410) 4.288 2.399 ( 4.438 1.864 -4.435) 6.546 2.452 ( 2.945 -2.378 -2.187) 4.372 2.531 ( -5.564 5.205 -4.882) 9.048 2.559 ( -6.619 2.868 -4.942) 8.744 2.603 ( 0.154 4.258 -3.637) 5.602 2.700 ( -1.026 -0.606 1.053) 1.590 2.718 ( 2.507 1.642 -0.419) 3.026 2.749 ( 4.162 -3.225 -3.292) 6.210 2.782 ( -2.282 1.827 -2.858) 4.089 2.813 ( -1.846 0.052 -3.731) 4.163 2.908 ( 5.204 1.669 3.218) 6.342 2.955 ( 0.237 -2.892 1.187) 3.135 3.031 ( 3.549 4.406 4.682) 7.344 3.100 ( -1.724 -0.825 5.787) 6.095 3.124 ( -3.838 0.723 3.095) 4.983 3.195 ( 4.977 -5.833 0.117) 7.669 3.325 ( 6.082 3.460 0.968) 7.064 3.362 ( 4.007 -0.771 0.674) 4.136 3.412 ( -1.451 3.185 5.374) 6.413 3.464 ( 1.377 -2.153 3.203) 4.097 3.500 ( 6.604 8.190 2.029) 10.715 3.598 ( 0.543 3.223 0.726) 3.348 3.602 ( 2.559 5.082 3.639) 6.754 3.622 ( 1.779 0.220 -3.137) 3.613 3.699 ( 7.549 -2.436 1.563) 8.085 3.788 ( 8.180 -1.254 -5.926) 10.179 3.826 ( 1.191 1.663 2.671) 3.364 3.888 ( 12.200 -5.429 1.369) 13.423 3.917 ( 1.775 -7.431 1.208) 7.735 3.971 ( 4.992 -4.409 5.248) 8.479 4.037 ( 2.058 1.276 1.761) 2.994 4.086 ( -2.110 -4.895 -0.898) 5.405 4.209 ( -3.041 5.794 0.431) 6.557 4.270 ( -0.099 -0.214 3.608) 3.616 4.353 ( 2.319 5.102 -0.534) 5.629 4.392 ( 3.063 5.374 -1.467) 6.357 4.474 ( -0.423 -6.652 -0.274) 6.671 4.518 ( -1.047 -6.063 -1.034) 6.239 4.649 ( 4.814 1.463 -2.399) 5.574 4.677 ( 5.280 0.998 -0.009) 5.374 4.778 ( -1.029 -0.053 -10.024) 10.077 4.816 ( 3.158 -2.967 -3.943) 5.859 5.042 ( -5.792 3.598 0.903) 6.878 5.072 ( -1.821 5.344 -0.665) 5.685 5.142 ( -4.308 -5.397 -1.589) 7.086 5.169 ( 4.474 7.196 1.666) 8.636 5.217 ( -0.311 -8.537 -5.976) 10.425 5.286 ( 3.688 -5.019 3.792) 7.292 5.360 ( -6.378 5.798 -1.330) 8.721 5.467 ( -3.128 -1.764 -1.403) 3.856 5.506 ( -0.559 -1.490 2.135) 2.663 5.572 ( -3.391 -5.022 4.161) 7.351 5.729 ( -8.000 4.658 -2.253) 9.528 5.791 ( -6.247 -1.597 -1.044) 6.532 5.891 ( -4.197 0.792 0.835) 4.352 5.903 ( -2.702 0.327 -0.771) 2.828 6.063 ( -7.266 2.131 -3.557) 8.366 6.095 ( -7.178 -0.628 -1.138) 7.294 6.169 ( -8.240 4.539 1.718) 9.563 6.260 ( -7.601 -5.532 1.135) 9.469 6.341 ( -2.545 4.719 2.064) 5.745 6.426 ( -2.940 -4.262 2.276) 5.656 6.609 ( 1.572 2.682 -1.938) 3.663 6.658 ( 1.352 -2.008 -5.139) 5.680 6.740 ( -2.304 -0.081 0.163) 2.311 6.748 ( -2.466 -0.798 -1.338) 2.917 6.879 ( 2.052 2.989 -2.390) 4.342 6.925 ( 2.174 -1.832 -3.333) 4.381 7.041 ( -0.359 1.107 6.492) 6.596 7.053 ( -2.334 0.318 7.788) 8.136 7.332 ( 3.178 6.095 -1.893) 7.130 7.427 ( 3.031 -3.383 -2.222) 5.057 7.506 ( -4.592 3.964 2.490) 6.558 7.537 ( -3.444 1.092 2.657) 4.485 7.785 ( 1.097 -2.341 -0.408) 2.617 7.823 ( 2.598 -4.958 -2.063) 5.966 8.001 ( -0.087 3.007 -0.085) 3.009 8.071 ( -0.972 -4.080 -0.355) 4.209 8.186 ( 5.661 4.008 0.305) 6.943 8.245 ( 6.867 -2.143 -0.237) 7.198 8.426 ( 1.566 3.991 -1.201) 4.452 8.473 ( 0.181 -0.466 -2.279) 2.333 8.748 ( -3.374 2.494 -0.826) 4.276 8.791 ( -4.969 -2.273 -1.073) 5.569 8.889 ( 0.587 2.647 -2.134) 3.450 8.942 ( -1.528 -1.818 -1.932) 3.061 9.017 ( 6.206 2.723 1.923) 7.044 9.048 ( 4.058 1.283 0.383) 4.273 9.107 ( 4.892 0.763 0.873) 5.027 9.160 ( 1.478 -3.163 0.663) 3.554 9.328 ( 1.357 3.519 2.696) 4.636 9.412 ( 4.004 -5.613 3.712) 7.830 9.593 ( -2.874 5.258 4.618) 7.565 9.621 ( 0.720 0.760 -1.110) 1.526 9.649 ( 1.990 -0.235 1.959) 2.802 9.694 ( 1.281 -4.634 -6.415) 8.017 9.773 ( -1.254 1.211 -0.244) 1.761 9.806 ( -1.974 -1.510 -1.993) 3.186 10.026 ( -1.798 4.231 -0.411) 4.616 10.098 ( 0.065 -0.684 2.587) 2.677 10.194 ( 0.041 -1.032 1.375) 1.720 10.202 ( 2.736 4.109 -3.300) 5.938 10.228 ( -2.036 -6.871 -1.442) 7.310 10.254 ( 0.806 -0.383 1.413) 1.671 10.382 ( 7.635 4.114 -0.580) 8.692 10.451 ( 0.538 1.242 -1.384) 1.935 10.495 ( 5.177 -2.339 -0.788) 5.736 10.560 ( -1.891 -6.448 -1.840) 6.967 10.618 ( -1.048 2.897 -4.267) 5.263 10.688 ( -2.072 -3.769 -2.395) 4.924 10.809 ( 1.440 0.639 3.181) 3.550 10.840 ( 0.744 -2.223 1.868) 2.997 11.002 ( 0.043 4.220 0.089) 4.221 11.063 ( 0.197 -1.948 0.612) 2.051 11.257 ( -4.854 1.641 -0.472) 5.146 11.295 ( -8.007 -1.546 1.878) 8.369 11.331 ( -0.566 2.177 3.659) 4.295 11.379 ( 0.369 -1.753 -1.621) 2.416 11.630 ( -0.183 0.479 -1.391) 1.482 11.666 ( 1.384 -2.657 -0.665) 3.068 11.754 ( 2.618 3.891 0.772) 4.753 11.838 ( 1.100 -3.865 -1.305) 4.225 12.030 ( 3.222 2.688 -0.165) 4.199 12.118 ( 0.061 -4.915 0.514) 4.942 12.350 ( 0.440 13.163 -0.671) 13.187 12.612 ( 1.658 -11.265 -5.054) 12.457 12.730 ( -4.536 6.496 -3.022) 8.479 12.945 ( -0.167 -13.492 -2.884) 13.798 13.219 ( -1.694 11.142 4.369) 12.088 13.438 ( -0.383 -12.239 3.922) 12.858 13.780 ( 0.778 -0.213 -0.039) 0.808 13.811 ( 0.581 -3.402 2.482) 4.251 14.181 ( -2.066 1.627 -3.451) 4.339 14.221 ( -3.627 -1.981 -2.338) 4.748 14.516 ( 0.123 5.202 3.218) 6.118 14.574 ( 1.107 -0.593 5.237) 5.385 14.825 ( 2.874 2.233 1.840) 4.078 14.876 ( 1.542 -2.860 -0.718) 3.328 15.052 ( 1.372 1.618 -0.345) 2.149 15.066 ( 0.866 -0.220 0.010) 0.893 15.402 ( 1.551 5.361 0.244) 5.586 15.481 ( 0.985 -3.009 0.420) 3.194 17.349 ( -0.117 9.561 -0.563) 9.578 17.458 ( 3.174 -0.103 0.289) 3.189 17.528 ( 1.799 3.981 -1.216) 4.535 17.629 ( 3.220 -4.651 1.100) 5.763 18.096 ( 5.670 7.989 -0.148) 9.798 18.244 ( -1.447 -0.395 -4.732) 4.964 18.402 ( -3.240 -2.966 2.027) 4.838 18.521 ( -4.732 -8.756 -0.643) 9.973 18.903 ( 6.580 3.018 -0.117) 7.240 18.976 ( 4.912 -4.808 0.471) 6.889 19.226 ( 0.152 1.671 -6.951) 7.150 19.296 ( -2.812 -5.475 -5.150) 8.026 19.679 ( 4.729 7.184 -4.447) 9.682 19.767 ( 1.176 0.359 -0.904) 1.526 19.785 ( 2.311 -1.074 2.246) 3.397 19.808 ( -1.650 -1.588 3.439) 4.132 20.186 ( -4.700 0.606 6.135) 7.752 20.244 ( -2.421 -4.611 13.996) 14.934 20.679 ( -3.504 0.632 -1.148) 3.741 20.690 ( -3.968 -0.338 -1.135) 4.141 20.929 ( -5.328 4.757 -2.914) 7.714 20.993 ( -5.431 -2.494 -2.554) 6.499 21.248 ( -5.775 8.277 1.688) 10.233 21.390 ( -8.093 -6.526 0.972) 10.442 22.500 ( 1.193 0.823 -0.760) 1.637 22.517 ( 0.977 -1.016 -0.443) 1.477 22.530 ( 3.188 0.706 0.635) 3.326 22.548 ( 2.740 -1.113 0.456) 2.992 ======================= Grid point 17 (12/54) ======================= q-point: ( 0.43 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( -0.123 2.782 -2.052) 3.459 1.215 ( -1.925 -3.457 -0.424) 3.979 1.643 ( 4.114 1.752 -2.785) 5.268 1.656 ( 2.919 1.061 -0.272) 3.118 1.838 ( 4.848 2.941 4.855) 7.465 1.901 ( 6.964 -2.124 0.908) 7.337 2.088 ( 2.310 3.995 3.413) 5.740 2.186 ( 3.534 -7.415 3.866) 9.078 2.232 ( -7.229 5.109 -6.067) 10.731 2.324 ( -4.104 3.983 -6.097) 8.360 2.343 ( -2.332 -3.596 -0.240) 4.293 2.402 ( 3.400 -1.030 -1.611) 3.901 2.432 ( -0.876 -0.343 -2.745) 2.902 2.471 ( -1.117 -4.006 -3.668) 5.545 2.557 ( -3.019 -0.979 -1.732) 3.616 2.579 ( -7.599 -2.334 -0.877) 7.998 2.684 ( -0.748 1.118 -0.869) 1.601 2.696 ( 0.190 0.559 -3.234) 3.288 2.835 ( 5.252 3.304 -1.570) 6.400 2.891 ( 5.073 -1.431 -2.485) 5.828 2.982 ( -5.034 5.057 0.769) 7.177 3.001 ( -1.216 0.982 3.254) 3.610 3.046 ( 2.877 -4.614 1.074) 5.542 3.086 ( -2.517 -5.408 5.117) 7.860 3.232 ( 8.294 4.833 -0.794) 9.632 3.309 ( 2.527 -2.150 2.846) 4.371 3.411 ( 0.828 2.524 3.920) 4.735 3.449 ( -1.393 3.032 0.413) 3.362 3.482 ( 7.215 0.161 4.694) 8.609 3.516 ( 4.168 -0.689 0.527) 4.257 3.580 ( 4.093 1.450 -0.332) 4.355 3.592 ( -1.902 0.998 -0.871) 2.318 3.683 ( 2.714 7.286 2.481) 8.161 3.728 ( 0.331 7.111 1.741) 7.328 3.764 ( 4.979 3.132 0.825) 5.940 3.813 ( -2.026 -0.726 -1.455) 2.598 3.887 ( 3.777 -1.571 2.203) 4.646 3.912 ( 5.365 -4.765 -5.698) 9.163 4.069 ( 0.258 1.892 0.902) 2.112 4.088 ( 0.114 0.317 3.671) 3.687 4.103 ( 2.954 1.707 2.532) 4.249 4.117 ( -0.589 2.178 -1.419) 2.665 4.198 ( -0.181 0.378 4.380) 4.400 4.266 ( 7.165 -3.581 0.861) 8.056 4.319 ( -4.239 0.506 0.412) 4.289 4.405 ( -1.258 -7.721 -2.082) 8.096 4.467 ( 1.945 1.794 -2.327) 3.524 4.487 ( 0.303 -0.213 -3.452) 3.472 4.638 ( -6.472 3.059 -4.618) 8.519 4.740 ( -1.435 -0.520 0.142) 1.533 4.807 ( 6.513 2.025 -0.149) 6.823 4.833 ( 3.633 -5.436 -2.800) 7.112 4.953 ( 1.153 5.386 -0.244) 5.514 5.039 ( -3.452 0.138 -2.525) 4.279 5.083 ( 1.678 3.560 -0.148) 3.938 5.177 ( 1.577 -4.878 -3.419) 6.162 5.230 ( -5.313 1.417 -2.047) 5.868 5.282 ( -1.429 2.541 6.440) 7.069 5.330 ( -3.574 -0.961 -0.009) 3.701 5.378 ( -2.162 -3.611 -1.217) 4.382 5.516 ( -0.840 2.517 4.005) 4.804 5.541 ( 0.882 -0.776 1.504) 1.908 5.652 ( -2.016 -0.256 1.132) 2.327 5.694 ( -0.400 -4.076 -2.270) 4.683 5.852 ( -0.883 0.081 1.166) 1.465 5.876 ( -0.032 -1.679 0.710) 1.823 5.907 ( -5.561 0.632 -2.793) 6.255 5.942 ( -5.533 -2.275 -4.415) 7.435 6.057 ( -4.124 4.885 0.698) 6.431 6.157 ( -3.855 -6.037 1.067) 7.241 6.340 ( 0.005 3.007 1.893) 3.553 6.407 ( -0.991 -4.403 2.026) 4.947 6.614 ( -0.354 4.304 -1.132) 4.464 6.672 ( 1.912 -0.659 -1.779) 2.693 6.694 ( -1.418 -0.489 -0.760) 1.681 6.716 ( 0.452 -1.994 -0.859) 2.218 6.912 ( 1.135 1.783 0.338) 2.141 6.936 ( 0.265 -0.979 -0.556) 1.157 7.037 ( -2.078 1.213 2.511) 3.478 7.055 ( -0.460 -0.376 1.433) 1.551 7.339 ( -0.049 4.466 -1.615) 4.749 7.390 ( -2.698 0.672 -0.789) 2.890 7.478 ( 0.009 3.520 0.414) 3.544 7.548 ( 0.651 -3.910 2.002) 4.441 7.763 ( -0.751 1.225 -1.436) 2.031 7.854 ( 0.946 -6.673 -0.843) 6.792 8.036 ( 2.102 0.477 0.891) 2.333 8.069 ( 0.462 -2.356 -0.211) 2.410 8.256 ( 1.654 5.769 0.249) 6.006 8.343 ( 3.086 -3.404 0.268) 4.603 8.447 ( 0.742 3.195 -0.389) 3.303 8.466 ( 0.121 1.229 -1.048) 1.619 8.665 ( -2.826 0.854 -1.178) 3.179 8.679 ( -3.998 -0.965 -1.166) 4.275 8.872 ( -0.666 2.709 -0.362) 2.813 8.926 ( 0.295 -2.720 -0.609) 2.803 9.108 ( 1.938 3.191 0.204) 3.739 9.136 ( 3.112 1.094 2.309) 4.027 9.181 ( 2.908 1.762 -1.034) 3.554 9.233 ( 2.945 -3.484 1.179) 4.712 9.369 ( 1.143 6.209 1.266) 6.439 9.481 ( 1.127 -5.242 2.169) 5.784 9.562 ( -1.806 7.776 1.511) 8.125 9.623 ( 0.481 0.799 -1.898) 2.115 9.667 ( -0.816 -1.358 0.040) 1.584 9.681 ( 0.457 -4.847 -2.420) 5.437 9.743 ( -1.104 -1.634 1.612) 2.547 9.763 ( -1.233 -3.095 -1.493) 3.651 9.981 ( -1.191 5.233 -0.344) 5.378 10.122 ( -0.186 -7.311 1.417) 7.450 10.168 ( -1.333 2.420 2.501) 3.727 10.184 ( -0.494 1.317 -1.420) 1.999 10.284 ( 2.908 1.239 0.690) 3.235 10.301 ( 3.171 -0.057 -0.371) 3.193 10.393 ( 0.058 1.542 -2.347) 2.809 10.458 ( -4.205 -4.325 -0.786) 6.083 10.522 ( 0.963 2.793 -1.741) 3.429 10.575 ( 1.185 -2.562 -1.355) 3.131 10.637 ( 4.128 1.698 1.150) 4.609 10.675 ( 1.781 -1.683 -0.976) 2.638 10.835 ( -0.596 -0.154 0.232) 0.658 10.855 ( -0.012 -1.061 0.765) 1.308 11.019 ( 2.560 2.894 0.108) 3.866 11.073 ( 1.338 -1.687 1.138) 2.436 11.144 ( -5.071 -0.902 -1.759) 5.443 11.158 ( -6.820 -1.549 0.816) 7.041 11.360 ( 0.603 2.665 2.082) 3.435 11.387 ( 0.531 -0.776 -0.500) 1.065 11.620 ( 0.068 2.095 -0.953) 2.302 11.674 ( 0.087 -2.471 -0.245) 2.485 11.808 ( 1.775 2.781 1.318) 3.553 11.839 ( 0.079 -0.061 -1.178) 1.183 12.088 ( 2.369 -0.018 -0.223) 2.380 12.124 ( 0.014 -3.564 0.867) 3.668 12.349 ( -0.112 13.268 -0.256) 13.271 12.581 ( -1.698 5.708 -2.645) 6.516 12.661 ( -0.714 -8.361 -1.200) 8.477 12.913 ( -0.836 -19.028 -1.632) 19.116 13.218 ( -0.820 11.558 2.267) 11.807 13.454 ( -0.129 -13.507 1.841) 13.633 13.813 ( 1.902 -0.251 -0.139) 1.924 13.844 ( 1.039 -3.507 0.878) 3.761 14.125 ( -1.655 1.167 -1.255) 2.382 14.155 ( -1.998 -1.558 -0.472) 2.577 14.529 ( -0.113 6.264 1.101) 6.361 14.609 ( 0.224 -1.805 1.855) 2.598 14.873 ( 1.151 1.872 0.819) 2.345 14.894 ( 0.774 -0.051 -0.607) 0.985 15.074 ( 0.952 0.803 -0.041) 1.246 15.080 ( 0.280 0.008 0.221) 0.357 15.424 ( 0.672 4.914 0.068) 4.960 15.496 ( 0.417 -2.510 0.122) 2.547 17.342 ( -0.170 12.783 -0.389) 12.790 17.508 ( 1.554 -3.325 0.316) 3.684 17.540 ( 0.385 8.690 -0.672) 8.724 17.667 ( 0.699 -2.946 0.207) 3.035 18.192 ( 2.742 1.812 -0.668) 3.354 18.243 ( 4.579 -2.707 -1.371) 5.493 18.375 ( -0.904 -5.721 0.861) 5.856 18.401 ( -7.119 -6.175 -0.123) 9.425 18.972 ( 1.184 3.663 -0.335) 3.864 19.036 ( 2.108 -3.180 -0.569) 3.857 19.223 ( 1.441 -2.004 -1.616) 2.950 19.242 ( -0.628 -3.981 -2.411) 4.696 19.733 ( 2.157 6.385 -1.853) 6.990 19.750 ( -0.791 2.729 0.566) 2.897 19.813 ( 0.891 0.002 1.554) 1.791 19.887 ( 3.866 -4.368 0.393) 5.847 20.146 ( -2.968 4.565 3.477) 6.460 20.277 ( -1.477 -7.811 6.414) 10.215 20.607 ( -2.712 2.367 -0.709) 3.669 20.620 ( -1.251 0.278 -2.115) 2.473 20.857 ( -1.387 3.277 -0.511) 3.595 20.903 ( -2.501 -1.778 -1.165) 3.282 21.168 ( -2.813 5.198 0.540) 5.935 21.269 ( -4.304 -5.223 0.255) 6.773 22.512 ( 0.544 0.584 -0.412) 0.898 22.525 ( 0.249 -0.800 -0.336) 0.902 22.580 ( 1.383 0.450 0.397) 1.508 22.590 ( 1.189 -0.694 0.285) 1.406 ======================= Grid point 35 (13/54) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.489 ( -3.755 0.000 26.014) 26.284 0.554 ( 1.616 0.000 29.120) 29.165 0.802 ( 2.383 0.000 37.347) 37.423 1.463 ( -4.500 0.000 -12.490) 13.276 1.467 ( -0.905 0.000 -1.063) 1.396 1.687 ( 4.695 0.000 -12.309) 13.174 1.862 ( 0.148 0.000 -1.700) 1.706 1.923 ( -7.125 0.000 -1.878) 7.368 2.009 ( 5.362 0.000 4.684) 7.119 2.120 ( -3.841 0.000 -2.636) 4.658 2.239 ( 6.326 0.000 3.788) 7.374 2.338 ( -3.958 0.000 2.445) 4.652 2.411 ( 3.385 0.000 -7.636) 8.353 2.500 ( 1.114 0.000 -2.178) 2.446 2.599 ( 0.325 0.000 1.319) 1.358 2.625 ( -2.605 0.000 0.539) 2.660 2.721 ( 1.092 0.000 -1.697) 2.018 2.752 ( -3.327 0.000 -5.289) 6.249 2.790 ( -1.612 0.000 -4.342) 4.631 2.806 ( -0.184 0.000 -5.499) 5.502 2.870 ( -3.917 0.000 -0.304) 3.928 3.012 ( 0.633 0.000 1.897) 1.999 3.091 ( 0.263 0.000 -0.880) 0.919 3.137 ( -3.843 0.000 -0.154) 3.846 3.165 ( 6.251 0.000 3.180) 7.014 3.215 ( 1.360 0.000 1.598) 2.098 3.239 ( -0.489 0.000 1.076) 1.182 3.244 ( 1.474 0.000 -0.080) 1.477 3.366 ( -0.312 0.000 2.566) 2.585 3.374 ( 4.122 0.000 0.275) 4.131 3.470 ( -4.561 0.000 1.832) 4.916 3.498 ( 0.264 0.000 5.400) 5.406 3.540 ( 1.182 0.000 -1.714) 2.082 3.587 ( 2.011 0.000 -0.765) 2.152 3.593 ( -0.527 0.000 -2.554) 2.607 3.624 ( 1.811 0.000 -1.251) 2.201 3.765 ( -6.022 0.000 -3.845) 7.145 3.889 ( 3.782 0.000 0.554) 3.822 3.892 ( -4.992 0.000 -5.894) 7.724 3.970 ( 4.173 0.000 -0.501) 4.203 3.999 ( 2.760 0.000 -3.696) 4.613 4.107 ( -4.280 0.000 -3.755) 5.694 4.251 ( 10.075 0.000 -5.087) 11.286 4.269 ( 0.748 0.000 7.669) 7.705 4.414 ( -2.253 0.000 2.139) 3.106 4.419 ( -2.913 0.000 4.903) 5.703 4.452 ( 1.232 0.000 -1.073) 1.634 4.549 ( -2.982 0.000 -6.911) 7.527 4.559 ( -0.685 0.000 -0.773) 1.032 4.766 ( 0.579 0.000 0.453) 0.735 4.793 ( -0.009 0.000 -1.005) 1.006 4.917 ( 2.203 0.000 0.308) 2.224 5.021 ( 3.868 0.000 0.362) 3.885 5.046 ( -9.255 0.000 1.581) 9.389 5.194 ( 2.097 0.000 0.053) 2.097 5.302 ( -8.863 0.000 3.365) 9.480 5.356 ( 2.627 0.000 -2.772) 3.819 5.359 ( 10.894 0.000 9.801) 14.654 5.444 ( -0.073 0.000 2.229) 2.230 5.617 ( 3.881 0.000 1.728) 4.248 5.623 ( -2.878 0.000 2.889) 4.078 5.651 ( -2.865 0.000 -2.988) 4.139 5.861 ( 4.566 0.000 -4.854) 6.664 5.927 ( 2.764 0.000 1.506) 3.148 5.948 ( 1.601 0.000 1.473) 2.176 6.060 ( -1.803 0.000 -1.772) 2.528 6.129 ( -1.728 0.000 -7.974) 8.160 6.133 ( -2.589 0.000 1.561) 3.023 6.161 ( 6.846 0.000 -1.329) 6.974 6.323 ( -6.343 0.000 -9.875) 11.737 6.494 ( -4.445 0.000 -0.409) 4.464 6.551 ( 0.086 0.000 -5.955) 5.956 6.588 ( -0.089 0.000 -0.252) 0.267 6.645 ( 1.660 0.000 -2.001) 2.600 6.666 ( 1.197 0.000 2.479) 2.753 6.804 ( -0.865 0.000 2.942) 3.067 6.955 ( -3.885 0.000 6.974) 7.983 6.980 ( -4.461 0.000 -3.688) 5.788 7.070 ( 3.111 0.000 7.118) 7.768 7.112 ( -1.449 0.000 -2.378) 2.784 7.131 ( -6.679 0.000 7.048) 9.710 7.251 ( 2.668 0.000 7.354) 7.823 7.479 ( 8.836 0.000 0.892) 8.881 7.544 ( 1.178 0.000 2.041) 2.356 7.715 ( -3.256 0.000 -1.086) 3.432 7.788 ( -0.364 0.000 6.871) 6.881 7.926 ( 1.218 0.000 2.111) 2.437 7.959 ( -0.274 0.000 -6.836) 6.841 8.051 ( 0.719 0.000 1.486) 1.650 8.132 ( -0.427 0.000 -0.254) 0.497 8.482 ( -7.226 0.000 -6.190) 9.515 8.527 ( 2.184 0.000 1.360) 2.573 8.620 ( 2.003 0.000 -0.134) 2.008 8.685 ( -2.146 0.000 -6.771) 7.103 8.763 ( -5.902 0.000 0.448) 5.919 8.859 ( 4.748 0.000 -1.098) 4.874 8.879 ( 5.000 0.000 5.169) 7.191 9.107 ( 0.608 0.000 3.948) 3.994 9.205 ( 1.743 0.000 -1.011) 2.015 9.211 ( 2.451 0.000 -10.323) 10.610 9.387 ( -21.630 0.000 0.155) 21.631 9.539 ( -1.446 0.000 -1.053) 1.789 9.543 ( 8.561 0.000 -2.110) 8.817 9.577 ( -7.498 0.000 -1.379) 7.624 9.652 ( 4.634 0.000 -2.293) 5.171 9.742 ( -0.110 0.000 3.319) 3.321 9.761 ( -0.072 0.000 1.218) 1.220 9.829 ( -1.967 0.000 -1.591) 2.530 9.930 ( 2.070 0.000 1.989) 2.870 9.979 ( -3.394 0.000 5.520) 6.480 10.048 ( -1.205 0.000 -1.148) 1.665 10.112 ( 0.862 0.000 0.333) 0.924 10.144 ( 2.337 0.000 1.203) 2.628 10.343 ( 2.898 0.000 -0.636) 2.967 10.403 ( 0.446 0.000 -4.128) 4.152 10.426 ( 14.905 0.000 3.381) 15.284 10.495 ( -0.946 0.000 -2.588) 2.755 10.561 ( -0.927 0.000 -3.142) 3.276 10.712 ( 0.662 0.000 -2.745) 2.824 10.774 ( -3.396 0.000 0.823) 3.495 10.819 ( 3.911 0.000 1.258) 4.108 10.879 ( -0.269 0.000 4.594) 4.602 10.965 ( -2.730 0.000 3.241) 4.238 11.000 ( -4.547 0.000 7.360) 8.651 11.005 ( 4.392 0.000 3.546) 5.645 11.241 ( 0.973 0.000 -5.684) 5.767 11.384 ( 1.703 0.000 0.340) 1.737 11.505 ( -2.747 0.000 -5.655) 6.287 11.618 ( -1.264 0.000 4.909) 5.069 11.707 ( 3.359 0.000 1.969) 3.894 11.854 ( 0.057 0.000 -2.455) 2.456 11.857 ( 0.178 0.000 -2.422) 2.428 11.990 ( -0.265 0.000 0.774) 0.819 12.059 ( -4.187 0.000 8.054) 9.077 12.264 ( 2.736 0.000 -6.287) 6.856 12.643 ( -4.169 0.000 -5.514) 6.913 12.855 ( 0.702 0.000 -9.385) 9.411 12.887 ( 4.772 0.000 -5.805) 7.515 13.135 ( -1.784 0.000 6.117) 6.371 13.368 ( 5.264 0.000 -2.190) 5.701 13.913 ( 2.278 0.000 2.503) 3.384 13.940 ( -2.800 0.000 11.585) 11.918 14.076 ( 0.427 0.000 1.778) 1.829 14.297 ( 0.392 0.000 2.563) 2.593 14.438 ( -1.537 0.000 -0.430) 1.596 14.668 ( 2.349 0.000 -8.502) 8.820 14.860 ( 2.053 0.000 2.823) 3.491 14.929 ( -1.885 0.000 3.652) 4.110 15.086 ( 0.614 0.000 -1.329) 1.464 15.120 ( -1.274 0.000 -2.830) 3.103 15.353 ( -12.042 0.000 3.738) 12.609 15.495 ( 0.628 0.000 -0.775) 0.998 17.185 ( -4.643 0.000 0.410) 4.661 17.236 ( 1.185 0.000 -1.269) 1.736 17.327 ( 1.977 0.000 0.440) 2.025 17.399 ( -2.430 0.000 -1.163) 2.694 17.678 ( 1.403 0.000 3.226) 3.518 17.914 ( -1.919 0.000 -2.707) 3.318 18.615 ( -0.641 0.000 0.976) 1.167 18.633 ( -0.131 0.000 0.068) 0.147 18.718 ( -0.351 0.000 1.252) 1.300 18.916 ( -0.328 0.000 -3.731) 3.745 19.315 ( -0.307 0.000 1.202) 1.241 19.372 ( 1.023 0.000 -0.238) 1.050 19.431 ( 2.504 0.000 3.669) 4.442 19.603 ( -0.472 0.000 -1.252) 1.338 19.852 ( -0.970 0.000 -0.294) 1.013 19.862 ( 1.558 0.000 -1.121) 1.919 20.586 ( 1.500 0.000 1.650) 2.230 20.636 ( 12.539 0.000 3.939) 13.143 20.793 ( -3.814 0.000 0.184) 3.819 20.840 ( -0.284 0.000 -4.000) 4.010 20.970 ( 3.977 0.000 -0.290) 3.988 21.136 ( -1.727 0.000 -4.964) 5.255 21.463 ( -0.066 0.000 3.415) 3.415 21.612 ( 1.513 0.000 -1.142) 1.896 22.411 ( 1.016 0.000 0.802) 1.295 22.475 ( -1.336 0.000 -0.858) 1.588 22.476 ( -2.294 0.000 0.733) 2.408 22.522 ( 0.045 0.000 -0.366) 0.369 ======================= Grid point 36 (14/54) ======================= q-point: ( 0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( 10.235 0.000 12.188) 15.916 0.908 ( 15.775 0.000 19.223) 24.867 1.256 ( -6.702 0.000 -10.029) 12.062 1.417 ( 14.419 0.000 -9.478) 17.255 1.515 ( 18.339 0.000 28.709) 34.067 1.785 ( 6.901 0.000 -2.990) 7.521 1.856 ( 5.379 0.000 -12.723) 13.813 1.940 ( 5.288 0.000 6.138) 8.102 2.064 ( 2.147 0.000 -3.238) 3.886 2.105 ( 4.989 0.000 -4.139) 6.482 2.337 ( 5.799 0.000 2.084) 6.163 2.394 ( -1.413 0.000 -12.352) 12.433 2.421 ( 2.923 0.000 4.218) 5.132 2.548 ( -1.894 0.000 -3.851) 4.291 2.571 ( 5.926 0.000 4.868) 7.669 2.594 ( -0.383 0.000 -2.130) 2.164 2.718 ( -1.151 0.000 -0.014) 1.151 2.737 ( 1.007 0.000 1.577) 1.871 2.759 ( -0.573 0.000 -4.326) 4.363 2.801 ( 3.546 0.000 1.924) 4.034 2.824 ( 2.120 0.000 -0.583) 2.198 3.059 ( 0.623 0.000 3.788) 3.838 3.066 ( -2.343 0.000 -2.567) 3.475 3.140 ( 3.927 0.000 -0.899) 4.029 3.201 ( -6.398 0.000 -5.689) 8.562 3.234 ( -0.146 0.000 0.899) 0.911 3.265 ( -0.238 0.000 0.343) 0.417 3.271 ( 0.949 0.000 -1.153) 1.494 3.343 ( 3.220 0.000 4.270) 5.348 3.349 ( -4.213 0.000 4.735) 6.338 3.462 ( 6.519 0.000 -2.208) 6.882 3.491 ( 0.663 0.000 1.905) 2.017 3.494 ( -3.068 0.000 4.753) 5.657 3.543 ( -7.849 0.000 -3.894) 8.762 3.650 ( 6.984 0.000 -0.427) 6.997 3.704 ( 3.289 0.000 3.758) 4.994 3.781 ( 0.576 0.000 -11.577) 11.591 3.790 ( 5.716 0.000 -3.306) 6.603 3.986 ( -5.610 0.000 -0.758) 5.661 3.988 ( 5.205 0.000 -1.886) 5.536 4.044 ( 4.116 0.000 0.726) 4.180 4.054 ( 3.898 0.000 -5.036) 6.369 4.283 ( -4.925 0.000 -0.312) 4.935 4.300 ( -1.918 0.000 2.368) 3.047 4.365 ( -0.736 0.000 2.027) 2.156 4.435 ( -1.672 0.000 2.330) 2.868 4.461 ( 5.815 0.000 -3.301) 6.687 4.484 ( 1.737 0.000 -6.551) 6.777 4.566 ( -1.369 0.000 1.665) 2.155 4.776 ( -0.911 0.000 -0.296) 0.958 4.821 ( 3.852 0.000 -1.063) 3.996 4.951 ( -2.265 0.000 8.775) 9.063 4.954 ( 0.100 0.000 3.673) 3.675 5.045 ( 0.023 0.000 -4.953) 4.953 5.147 ( -9.762 0.000 2.106) 9.986 5.228 ( 0.572 0.000 0.478) 0.745 5.428 ( 1.642 0.000 -1.366) 2.136 5.441 ( -11.465 0.000 -4.248) 12.227 5.461 ( 0.371 0.000 2.520) 2.547 5.519 ( 1.342 0.000 0.441) 1.413 5.609 ( -2.369 0.000 4.441) 5.033 5.677 ( -7.599 0.000 5.033) 9.115 5.758 ( 0.695 0.000 -2.685) 2.774 5.878 ( -4.596 0.000 -6.914) 8.302 5.954 ( -3.935 0.000 2.905) 4.891 5.974 ( -4.892 0.000 5.169) 7.117 6.047 ( -1.967 0.000 -2.878) 3.485 6.051 ( -2.729 0.000 -0.822) 2.850 6.178 ( -2.680 0.000 -7.351) 7.825 6.221 ( -3.168 0.000 3.364) 4.621 6.443 ( 0.038 0.000 1.256) 1.257 6.505 ( -0.193 0.000 -2.774) 2.781 6.633 ( 4.857 0.000 -3.285) 5.864 6.674 ( -5.086 0.000 0.996) 5.182 6.707 ( 2.049 0.000 1.006) 2.282 6.708 ( 1.019 0.000 0.188) 1.037 6.886 ( -6.141 0.000 3.155) 6.904 6.944 ( 0.810 0.000 -0.459) 0.931 7.025 ( -7.427 0.000 3.264) 8.112 7.083 ( 1.188 0.000 -2.055) 2.374 7.085 ( -3.382 0.000 10.125) 10.675 7.441 ( 5.476 0.000 5.217) 7.563 7.538 ( -4.007 0.000 5.271) 6.621 7.628 ( 2.511 0.000 5.043) 5.633 7.792 ( 7.568 0.000 -8.013) 11.022 7.869 ( 4.026 0.000 0.322) 4.039 7.929 ( 1.706 0.000 -4.536) 4.846 8.052 ( 6.112 0.000 -3.010) 6.813 8.108 ( 3.689 0.000 4.623) 5.915 8.122 ( 4.344 0.000 -0.519) 4.375 8.279 ( -8.116 0.000 -5.826) 9.990 8.412 ( -6.770 0.000 -1.718) 6.985 8.601 ( -0.763 0.000 -1.610) 1.782 8.823 ( 9.928 0.000 -1.296) 10.012 8.825 ( 5.838 0.000 2.049) 6.187 8.924 ( -3.614 0.000 2.483) 4.385 9.009 ( 6.873 0.000 1.588) 7.055 9.039 ( 1.648 0.000 2.702) 3.164 9.073 ( -4.701 0.000 -2.075) 5.139 9.152 ( -5.605 0.000 -1.012) 5.696 9.307 ( 5.255 0.000 -2.270) 5.724 9.383 ( -10.779 0.000 0.051) 10.779 9.548 ( 1.046 0.000 -3.224) 3.390 9.646 ( 1.663 0.000 -3.327) 3.719 9.657 ( 0.251 0.000 -1.099) 1.127 9.749 ( 2.306 0.000 9.614) 9.886 9.793 ( 0.731 0.000 4.305) 4.367 9.858 ( 2.788 0.000 -12.030) 12.349 9.964 ( -2.611 0.000 6.178) 6.708 10.017 ( -0.185 0.000 -3.818) 3.823 10.033 ( 4.306 0.000 2.828) 5.151 10.102 ( -0.973 0.000 -0.900) 1.325 10.264 ( 6.519 0.000 4.768) 8.076 10.352 ( -0.117 0.000 -1.271) 1.277 10.384 ( 0.206 0.000 -2.906) 2.913 10.465 ( 0.718 0.000 -3.581) 3.652 10.516 ( -1.230 0.000 -2.370) 2.670 10.634 ( 2.363 0.000 -5.485) 5.972 10.682 ( -4.496 0.000 -3.247) 5.545 10.744 ( -1.365 0.000 0.936) 1.655 10.902 ( 0.709 0.000 0.379) 0.804 10.958 ( -4.572 0.000 6.072) 7.601 10.966 ( -1.132 0.000 7.308) 7.395 11.032 ( 16.794 0.000 -10.778) 19.955 11.083 ( 1.240 0.000 3.161) 3.396 11.220 ( 0.025 0.000 -3.352) 3.352 11.395 ( -4.409 0.000 -4.429) 6.250 11.426 ( 2.436 0.000 0.883) 2.591 11.651 ( 1.069 0.000 5.795) 5.893 11.753 ( -0.085 0.000 0.582) 0.588 11.780 ( -5.302 0.000 -4.263) 6.804 11.802 ( -3.189 0.000 -2.939) 4.337 11.990 ( -0.002 0.000 -1.078) 1.078 12.087 ( 1.638 0.000 7.048) 7.235 12.283 ( 2.824 0.000 -3.922) 4.833 12.541 ( -4.762 0.000 -2.186) 5.240 12.822 ( 3.832 0.000 -12.284) 12.868 12.942 ( 3.954 0.000 -4.505) 5.994 13.201 ( 4.464 0.000 5.812) 7.329 13.549 ( 13.256 0.000 -10.852) 17.131 13.943 ( -2.627 0.000 6.016) 6.564 13.956 ( 0.120 0.000 4.235) 4.237 14.133 ( 2.460 0.000 4.524) 5.150 14.286 ( -3.624 0.000 2.842) 4.605 14.377 ( -3.677 0.000 -1.776) 4.083 14.661 ( 2.955 0.000 -9.341) 9.797 14.903 ( -0.783 0.000 2.458) 2.579 14.913 ( -2.344 0.000 3.919) 4.567 14.997 ( -8.229 0.000 7.502) 11.136 15.091 ( 0.933 0.000 -1.621) 1.870 15.246 ( -1.438 0.000 6.594) 6.749 15.498 ( 0.067 0.000 -0.535) 0.539 17.098 ( -3.866 0.000 -1.117) 4.024 17.306 ( 0.081 0.000 -3.193) 3.194 17.383 ( 3.422 0.000 0.998) 3.565 17.455 ( 9.019 0.000 -4.714) 10.177 17.815 ( 9.716 0.000 5.049) 10.949 17.923 ( 5.207 0.000 -3.836) 6.467 18.661 ( 2.637 0.000 0.328) 2.657 18.696 ( 2.578 0.000 0.302) 2.595 18.747 ( 7.584 0.000 -2.399) 7.955 18.882 ( -0.793 0.000 -3.137) 3.236 19.331 ( 1.839 0.000 -0.433) 1.890 19.389 ( 0.713 0.000 0.383) 0.810 19.511 ( 2.244 0.000 3.736) 4.358 19.582 ( -0.653 0.000 -2.642) 2.722 19.802 ( -3.133 0.000 -1.108) 3.324 19.869 ( -0.222 0.000 -0.455) 0.506 20.529 ( -7.404 0.000 2.230) 7.732 20.690 ( -5.227 0.000 3.820) 6.474 20.738 ( -5.515 0.000 -6.987) 8.901 20.747 ( -0.479 0.000 -1.024) 1.131 20.996 ( -10.618 0.000 1.078) 10.673 21.049 ( 2.985 0.000 1.413) 3.302 21.229 ( -17.465 0.000 12.635) 21.556 21.585 ( -3.785 0.000 -1.433) 4.047 22.451 ( 0.028 0.000 -1.312) 1.313 22.462 ( 3.536 0.000 1.348) 3.784 22.520 ( 3.698 0.000 -0.102) 3.699 22.531 ( 0.853 0.000 -0.506) 0.992 ======================= Grid point 37 (15/54) ======================= q-point: ( 0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( 15.829 0.000 -4.155) 16.365 1.054 ( 1.310 0.000 -9.147) 9.240 1.426 ( 18.430 0.000 19.318) 26.699 1.470 ( 5.170 0.000 -0.296) 5.179 1.799 ( -5.458 0.000 4.623) 7.153 1.881 ( 7.348 0.000 -1.014) 7.418 1.973 ( 12.299 0.000 0.131) 12.299 2.077 ( 2.578 0.000 -14.428) 14.656 2.191 ( 8.389 0.000 -0.225) 8.392 2.200 ( 2.688 0.000 -2.724) 3.827 2.309 ( 5.623 0.000 -5.717) 8.019 2.407 ( -4.321 0.000 2.761) 5.128 2.482 ( 5.523 0.000 -4.627) 7.205 2.496 ( -1.072 0.000 -3.786) 3.935 2.605 ( 1.638 0.000 -2.790) 3.235 2.691 ( -0.967 0.000 5.267) 5.355 2.727 ( -7.089 0.000 3.444) 7.881 2.761 ( 4.842 0.000 -0.144) 4.844 2.790 ( -2.358 0.000 -0.310) 2.378 2.805 ( 9.684 0.000 4.858) 10.834 2.906 ( 5.166 0.000 6.605) 8.385 3.046 ( 0.092 0.000 1.299) 1.302 3.086 ( 4.934 0.000 3.223) 5.893 3.152 ( -0.491 0.000 4.114) 4.143 3.205 ( 3.322 0.000 -1.350) 3.586 3.225 ( -1.500 0.000 1.125) 1.875 3.226 ( -2.991 0.000 2.232) 3.732 3.267 ( -3.614 0.000 -3.843) 5.275 3.308 ( 6.704 0.000 -3.316) 7.479 3.408 ( 3.684 0.000 3.076) 4.800 3.435 ( -1.970 0.000 2.788) 3.414 3.480 ( -2.436 0.000 2.457) 3.460 3.582 ( 8.126 0.000 -5.239) 9.669 3.655 ( 9.191 0.000 5.527) 10.724 3.664 ( -2.097 0.000 -9.527) 9.755 3.782 ( -1.199 0.000 -0.559) 1.323 3.799 ( 7.368 0.000 -4.207) 8.484 3.823 ( 4.005 0.000 2.792) 4.882 3.916 ( 0.677 0.000 -0.899) 1.125 4.059 ( 0.248 0.000 -2.805) 2.816 4.084 ( 0.480 0.000 -0.380) 0.612 4.138 ( 9.743 0.000 -8.027) 12.624 4.218 ( -5.447 0.000 1.472) 5.642 4.308 ( 1.384 0.000 5.890) 6.050 4.330 ( 1.874 0.000 -2.121) 2.830 4.456 ( 0.853 0.000 1.528) 1.750 4.492 ( 1.047 0.000 -0.539) 1.178 4.495 ( 1.749 0.000 -8.293) 8.476 4.596 ( 4.936 0.000 3.770) 6.211 4.698 ( -8.921 0.000 -1.111) 8.990 4.876 ( -16.353 0.000 -2.292) 16.513 4.898 ( 4.460 0.000 -1.236) 4.628 4.965 ( -4.479 0.000 5.968) 7.462 4.982 ( -4.354 0.000 -8.570) 9.612 5.017 ( -2.572 0.000 9.909) 10.238 5.160 ( -5.144 0.000 -3.329) 6.127 5.246 ( 3.311 0.000 0.873) 3.424 5.408 ( -8.948 0.000 -1.454) 9.065 5.442 ( 0.262 0.000 -4.941) 4.948 5.500 ( -2.541 0.000 0.300) 2.559 5.570 ( -3.234 0.000 1.031) 3.394 5.663 ( 2.643 0.000 3.509) 4.393 5.756 ( -0.656 0.000 -7.281) 7.311 5.792 ( 0.393 0.000 4.478) 4.495 5.864 ( -7.599 0.000 4.139) 8.653 5.903 ( -4.370 0.000 2.013) 4.812 5.996 ( -3.989 0.000 2.414) 4.662 6.014 ( -2.720 0.000 -4.009) 4.844 6.122 ( -8.103 0.000 4.606) 9.320 6.178 ( 5.592 0.000 -0.097) 5.593 6.475 ( -3.134 0.000 -1.478) 3.465 6.485 ( 2.204 0.000 1.980) 2.963 6.572 ( -8.635 0.000 0.727) 8.665 6.602 ( -0.201 0.000 0.973) 0.994 6.749 ( 1.721 0.000 -0.723) 1.867 6.776 ( 1.727 0.000 -2.025) 2.662 6.849 ( 1.886 0.000 -2.188) 2.889 6.944 ( -1.183 0.000 1.938) 2.270 6.965 ( 1.711 0.000 -0.310) 1.739 7.064 ( -4.341 0.000 4.866) 6.521 7.132 ( 4.106 0.000 0.593) 4.148 7.437 ( -6.126 0.000 -0.557) 6.152 7.494 ( -3.906 0.000 5.292) 6.577 7.664 ( 0.117 0.000 3.093) 3.096 7.887 ( -0.304 0.000 -2.243) 2.263 7.908 ( 5.257 0.000 -1.234) 5.400 7.967 ( 2.938 0.000 -1.664) 3.377 8.102 ( 5.865 0.000 -0.475) 5.884 8.142 ( -2.256 0.000 -0.125) 2.259 8.238 ( 5.415 0.000 1.435) 5.602 8.246 ( 5.260 0.000 -3.631) 6.392 8.336 ( -0.286 0.000 -1.047) 1.085 8.612 ( 1.127 0.000 1.020) 1.520 8.811 ( -5.708 0.000 1.319) 5.859 8.901 ( 1.072 0.000 1.178) 1.593 8.973 ( -0.905 0.000 1.258) 1.550 8.996 ( 5.368 0.000 -0.572) 5.398 9.061 ( -2.471 0.000 -1.290) 2.788 9.132 ( 4.844 0.000 0.201) 4.848 9.196 ( -6.608 0.000 -0.342) 6.617 9.208 ( 9.046 0.000 -1.268) 9.134 9.365 ( 1.499 0.000 -0.971) 1.786 9.569 ( 2.647 0.000 -1.869) 3.240 9.636 ( -1.850 0.000 4.149) 4.543 9.685 ( 1.273 0.000 4.331) 4.515 9.794 ( -3.100 0.000 2.830) 4.197 9.798 ( 0.086 0.000 -12.990) 12.990 9.875 ( 3.624 0.000 5.103) 6.258 9.923 ( -2.918 0.000 1.009) 3.087 10.064 ( -0.574 0.000 -1.035) 1.183 10.066 ( 5.538 0.000 1.502) 5.738 10.141 ( 4.400 0.000 1.085) 4.532 10.254 ( -4.876 0.000 -4.171) 6.417 10.347 ( 1.508 0.000 -2.052) 2.547 10.432 ( 0.439 0.000 -2.458) 2.497 10.471 ( 0.306 0.000 1.834) 1.860 10.538 ( 3.600 0.000 3.730) 5.184 10.613 ( -1.197 0.000 -2.309) 2.601 10.619 ( 1.360 0.000 -0.854) 1.606 10.677 ( -3.857 0.000 -2.639) 4.674 10.910 ( -3.807 0.000 2.531) 4.572 10.915 ( 1.196 0.000 -0.970) 1.540 10.993 ( -0.844 0.000 5.565) 5.628 11.088 ( -1.886 0.000 1.331) 2.308 11.146 ( 3.018 0.000 -4.757) 5.634 11.209 ( 0.079 0.000 -1.730) 1.732 11.301 ( -3.643 0.000 -2.289) 4.302 11.473 ( 1.465 0.000 1.373) 2.008 11.647 ( -2.647 0.000 -5.606) 6.200 11.721 ( -2.280 0.000 -1.162) 2.559 11.740 ( -2.360 0.000 0.699) 2.462 11.748 ( 2.769 0.000 7.052) 7.576 11.963 ( -1.643 0.000 -2.231) 2.771 12.166 ( 3.182 0.000 1.714) 3.614 12.312 ( 1.048 0.000 0.742) 1.284 12.428 ( -5.843 0.000 -0.544) 5.869 12.839 ( 6.161 0.000 -12.423) 13.867 12.957 ( 0.921 0.000 -4.821) 4.908 13.344 ( 6.270 0.000 4.433) 7.679 13.674 ( 7.137 0.000 -7.734) 10.524 13.947 ( 0.932 0.000 0.353) 0.996 13.983 ( 0.183 0.000 4.903) 4.906 14.185 ( -0.770 0.000 5.505) 5.558 14.202 ( -6.806 0.000 1.419) 6.952 14.305 ( -1.794 0.000 -2.933) 3.439 14.652 ( 2.433 0.000 -9.374) 9.684 14.843 ( -6.876 0.000 9.424) 11.666 14.899 ( -1.913 0.000 4.408) 4.805 15.000 ( 1.460 0.000 2.130) 2.582 15.099 ( 1.193 0.000 -2.059) 2.379 15.287 ( 1.249 0.000 3.850) 4.047 15.493 ( -0.076 0.000 -0.725) 0.729 17.039 ( -2.259 0.000 0.609) 2.340 17.268 ( -1.255 0.000 -2.587) 2.875 17.463 ( 4.229 0.000 0.662) 4.281 17.554 ( 4.459 0.000 -3.296) 5.545 18.053 ( 11.104 0.000 -2.931) 11.485 18.058 ( 11.686 0.000 5.134) 12.764 18.692 ( -1.564 0.000 0.654) 1.696 18.697 ( -2.015 0.000 2.040) 2.868 18.861 ( 0.909 0.000 -1.139) 1.458 18.933 ( 12.904 0.000 -5.315) 13.956 19.374 ( 3.094 0.000 -1.449) 3.416 19.397 ( -0.090 0.000 -0.422) 0.431 19.500 ( -5.161 0.000 2.193) 5.607 19.551 ( 0.084 0.000 -3.871) 3.872 19.788 ( 2.542 0.000 -0.047) 2.542 19.854 ( -0.854 0.000 -0.467) 0.973 20.414 ( -4.917 0.000 -0.439) 4.936 20.500 ( -11.975 0.000 -6.879) 13.811 20.624 ( -5.861 0.000 2.080) 6.219 20.738 ( -0.524 0.000 0.120) 0.537 20.864 ( -7.140 0.000 12.148) 14.091 21.028 ( -11.305 0.000 4.628) 12.216 21.083 ( 0.169 0.000 0.559) 0.584 21.461 ( -7.195 0.000 -3.330) 7.928 22.465 ( 1.938 0.000 -0.565) 2.019 22.537 ( 3.189 0.000 1.124) 3.382 22.540 ( 0.425 0.000 -0.268) 0.503 22.577 ( 2.482 0.000 -0.356) 2.508 ======================= Grid point 38 (16/54) ======================= q-point: ( 0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( 8.970 0.000 -5.221) 10.379 1.122 ( 6.769 0.000 3.395) 7.573 1.648 ( 13.211 0.000 -1.955) 13.355 1.694 ( -6.912 0.000 2.510) 7.354 1.888 ( 15.922 0.000 13.173) 20.665 1.999 ( -16.050 0.000 2.574) 16.255 2.019 ( -4.999 0.000 -3.744) 6.245 2.076 ( 11.059 0.000 0.763) 11.086 2.083 ( -3.759 0.000 -5.902) 6.997 2.221 ( 7.580 0.000 6.355) 9.892 2.434 ( 6.413 0.000 -3.577) 7.343 2.445 ( 2.744 0.000 -0.927) 2.896 2.468 ( -0.057 0.000 -0.638) 0.640 2.524 ( 2.326 0.000 -3.842) 4.492 2.600 ( -3.850 0.000 -0.198) 3.855 2.613 ( 2.958 0.000 1.182) 3.186 2.668 ( -0.759 0.000 2.055) 2.191 2.779 ( -0.594 0.000 -0.077) 0.599 2.834 ( -7.368 0.000 0.221) 7.371 2.870 ( 5.910 0.000 -1.833) 6.187 2.923 ( 0.704 0.000 3.216) 3.292 3.078 ( -3.105 0.000 3.923) 5.003 3.131 ( -2.552 0.000 -7.720) 8.131 3.135 ( -1.916 0.000 1.254) 2.290 3.188 ( -1.584 0.000 2.599) 3.044 3.257 ( 1.469 0.000 -2.569) 2.959 3.263 ( 2.377 0.000 1.357) 2.737 3.382 ( -0.448 0.000 -2.339) 2.381 3.408 ( -0.064 0.000 2.131) 2.132 3.433 ( -0.033 0.000 2.321) 2.321 3.497 ( 4.373 0.000 6.852) 8.128 3.553 ( -2.397 0.000 -6.557) 6.981 3.575 ( 17.362 0.000 9.796) 19.935 3.723 ( 10.162 0.000 -6.071) 11.837 3.754 ( -1.905 0.000 -0.790) 2.063 3.851 ( 3.398 0.000 5.550) 6.508 3.862 ( 2.282 0.000 -6.264) 6.666 3.892 ( 3.982 0.000 -4.033) 5.668 3.934 ( -13.139 0.000 -0.266) 13.142 3.992 ( 2.401 0.000 2.443) 3.425 4.034 ( 1.159 0.000 2.384) 2.650 4.103 ( -9.457 0.000 -7.943) 12.350 4.226 ( -1.056 0.000 -6.419) 6.505 4.332 ( -3.407 0.000 9.164) 9.777 4.377 ( -2.359 0.000 -1.750) 2.937 4.397 ( 7.014 0.000 -9.781) 12.036 4.470 ( 0.948 0.000 3.903) 4.016 4.564 ( 11.253 0.000 -9.741) 14.884 4.595 ( 4.878 0.000 7.273) 8.758 4.725 ( -0.327 0.000 -2.633) 2.653 4.736 ( 4.525 0.000 5.796) 7.353 4.873 ( -1.456 0.000 -0.686) 1.609 4.877 ( -14.017 0.000 0.171) 14.018 4.914 ( -4.886 0.000 4.526) 6.659 4.956 ( 1.912 0.000 0.179) 1.921 5.159 ( -9.755 0.000 -7.571) 12.348 5.171 ( 5.264 0.000 -3.805) 6.496 5.341 ( -1.936 0.000 6.570) 6.849 5.427 ( -0.272 0.000 -1.880) 1.900 5.479 ( -3.592 0.000 1.820) 4.026 5.494 ( 2.579 0.000 -2.423) 3.539 5.669 ( -4.498 0.000 -3.781) 5.876 5.735 ( -6.266 0.000 -0.562) 6.291 5.785 ( -1.706 0.000 3.488) 3.883 5.797 ( 4.958 0.000 -0.476) 4.981 5.922 ( 4.137 0.000 1.530) 4.411 5.938 ( -2.749 0.000 -0.838) 2.874 5.952 ( -2.003 0.000 3.237) 3.806 6.033 ( -4.576 0.000 5.132) 6.876 6.266 ( 2.596 0.000 -0.302) 2.614 6.408 ( -2.194 0.000 -0.185) 2.202 6.433 ( -4.926 0.000 0.439) 4.946 6.526 ( 0.479 0.000 1.730) 1.795 6.640 ( 1.431 0.000 1.348) 1.966 6.742 ( -1.387 0.000 -0.367) 1.435 6.764 ( 1.099 0.000 -1.437) 1.809 6.881 ( 1.280 0.000 -1.404) 1.900 6.995 ( 3.294 0.000 3.357) 4.703 6.996 ( -4.102 0.000 -0.058) 4.102 7.000 ( 2.128 0.000 -1.345) 2.518 7.209 ( 3.301 0.000 0.274) 3.312 7.310 ( -5.106 0.000 -0.258) 5.112 7.460 ( -3.665 0.000 5.042) 6.233 7.660 ( -1.841 0.000 0.688) 1.965 7.871 ( -0.101 0.000 1.636) 1.639 7.965 ( 1.455 0.000 0.840) 1.680 8.017 ( 4.321 0.000 -3.574) 5.607 8.121 ( -1.550 0.000 1.870) 2.429 8.188 ( 1.597 0.000 -2.931) 3.338 8.281 ( 2.647 0.000 -2.020) 3.330 8.335 ( 3.049 0.000 2.155) 3.733 8.379 ( 4.638 0.000 -1.175) 4.784 8.631 ( 0.172 0.000 2.641) 2.647 8.716 ( -4.994 0.000 3.012) 5.832 8.865 ( -3.799 0.000 -0.551) 3.838 8.984 ( 1.434 0.000 0.266) 1.459 9.050 ( 1.430 0.000 -2.335) 2.738 9.096 ( 3.557 0.000 0.199) 3.563 9.177 ( 2.435 0.000 1.328) 2.774 9.194 ( 0.684 0.000 4.385) 4.438 9.299 ( 2.332 0.000 -3.072) 3.857 9.365 ( -0.238 0.000 -1.180) 1.204 9.613 ( 1.819 0.000 3.002) 3.510 9.614 ( -3.781 0.000 4.580) 5.939 9.707 ( -0.345 0.000 -13.259) 13.263 9.712 ( -2.488 0.000 1.737) 3.034 9.752 ( -1.146 0.000 3.833) 4.000 9.911 ( 0.324 0.000 2.518) 2.539 9.975 ( 5.337 0.000 1.107) 5.451 10.040 ( -1.168 0.000 -1.127) 1.623 10.125 ( -4.836 0.000 -4.735) 6.768 10.183 ( 5.263 0.000 0.193) 5.266 10.194 ( -0.076 0.000 1.111) 1.114 10.406 ( -0.087 0.000 -1.991) 1.993 10.411 ( 5.086 0.000 -0.117) 5.087 10.470 ( -1.575 0.000 2.360) 2.837 10.548 ( -3.593 0.000 -2.772) 4.538 10.550 ( -0.440 0.000 -0.876) 0.981 10.646 ( 0.886 0.000 1.815) 2.020 10.716 ( 2.877 0.000 3.867) 4.820 10.856 ( -1.235 0.000 -2.113) 2.447 10.929 ( -0.412 0.000 0.111) 0.427 11.008 ( -0.071 0.000 2.325) 2.326 11.056 ( -1.027 0.000 -0.325) 1.078 11.158 ( -0.244 0.000 1.547) 1.566 11.181 ( -0.326 0.000 -4.131) 4.144 11.229 ( -2.593 0.000 -0.198) 2.600 11.500 ( 0.334 0.000 2.996) 3.015 11.592 ( 0.619 0.000 -7.622) 7.648 11.692 ( -0.467 0.000 0.238) 0.524 11.717 ( -0.776 0.000 1.649) 1.823 11.829 ( -0.271 0.000 6.790) 6.795 11.919 ( -0.621 0.000 -2.807) 2.875 12.218 ( 2.985 0.000 -3.122) 4.319 12.318 ( -2.359 0.000 4.346) 4.945 12.371 ( -0.090 0.000 3.866) 3.867 12.873 ( 5.507 0.000 -11.582) 12.825 12.924 ( -0.074 0.000 -6.838) 6.839 13.451 ( 2.213 0.000 3.667) 4.284 13.740 ( 3.953 0.000 -1.852) 4.366 13.961 ( 1.526 0.000 -5.692) 5.893 14.037 ( 2.399 0.000 4.151) 4.794 14.059 ( -8.688 0.000 -0.692) 8.716 14.182 ( -2.266 0.000 5.589) 6.031 14.289 ( 1.390 0.000 -2.133) 2.546 14.638 ( 2.605 0.000 -8.501) 8.892 14.787 ( -6.062 0.000 9.547) 11.308 14.899 ( -1.152 0.000 4.259) 4.412 15.030 ( 0.591 0.000 0.715) 0.927 15.107 ( 1.018 0.000 -2.077) 2.313 15.321 ( -0.217 0.000 2.697) 2.706 15.490 ( 0.262 0.000 -0.763) 0.807 17.025 ( -0.457 0.000 2.797) 2.834 17.245 ( 0.537 0.000 -1.754) 1.834 17.525 ( 1.679 0.000 0.379) 1.721 17.592 ( 1.808 0.000 -1.915) 2.634 18.254 ( 4.405 0.000 4.290) 6.149 18.287 ( 15.041 0.000 -1.190) 15.088 18.583 ( -9.993 0.000 1.624) 10.125 18.658 ( -2.621 0.000 1.175) 2.872 18.897 ( 1.602 0.000 0.876) 1.826 19.113 ( 8.777 0.000 -4.533) 9.878 19.372 ( -1.351 0.000 -1.520) 2.034 19.407 ( 2.416 0.000 -4.476) 5.087 19.437 ( -2.354 0.000 2.581) 3.493 19.568 ( 3.775 0.000 -0.453) 3.802 19.836 ( -0.594 0.000 -0.945) 1.117 19.837 ( 1.510 0.000 -0.229) 1.527 20.234 ( -9.787 0.000 -10.005) 13.995 20.338 ( -2.103 0.000 -4.238) 4.732 20.543 ( -5.141 0.000 4.892) 7.097 20.728 ( -0.430 0.000 -0.002) 0.430 20.838 ( -8.113 0.000 13.872) 16.070 20.910 ( 0.208 0.000 0.959) 0.981 21.074 ( -0.688 0.000 -1.003) 1.216 21.328 ( -2.982 0.000 -4.283) 5.219 22.502 ( 1.644 0.000 0.466) 1.709 22.546 ( 0.242 0.000 0.402) 0.470 22.578 ( 0.478 0.000 0.157) 0.503 22.604 ( 0.895 0.000 -0.699) 1.136 ======================= Grid point 39 (17/54) ======================= q-point: (-0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( 3.946 0.000 -4.761) 6.184 1.259 ( 2.524 0.000 5.122) 5.710 1.563 ( -10.005 0.000 -4.462) 10.955 1.623 ( -24.016 0.000 7.236) 25.083 1.639 ( -16.901 0.000 3.459) 17.251 1.864 ( 9.898 0.000 -1.688) 10.041 2.235 ( 14.433 0.000 1.590) 14.521 2.259 ( 9.262 0.000 5.334) 10.688 2.265 ( 1.614 0.000 -2.777) 3.212 2.305 ( -2.493 0.000 10.477) 10.770 2.416 ( -3.067 0.000 -3.406) 4.583 2.461 ( -0.098 0.000 -1.017) 1.022 2.549 ( 6.743 0.000 0.456) 6.758 2.551 ( 5.794 0.000 -1.635) 6.021 2.602 ( -7.098 0.000 2.084) 7.398 2.627 ( 2.145 0.000 0.888) 2.321 2.718 ( 4.833 0.000 3.981) 6.262 2.731 ( 0.759 0.000 -6.936) 6.977 2.799 ( 1.988 0.000 0.414) 2.030 2.902 ( -4.355 0.000 2.336) 4.942 2.957 ( -7.262 0.000 1.380) 7.392 2.979 ( -2.804 0.000 -4.625) 5.409 3.094 ( -2.142 0.000 -1.541) 2.639 3.097 ( -3.658 0.000 3.807) 5.279 3.121 ( -4.136 0.000 2.087) 4.632 3.243 ( -6.491 0.000 1.498) 6.662 3.255 ( -0.599 0.000 -0.737) 0.950 3.335 ( -13.699 0.000 1.126) 13.745 3.361 ( 0.618 0.000 -6.158) 6.189 3.403 ( -1.480 0.000 0.279) 1.506 3.428 ( -1.941 0.000 2.261) 2.980 3.540 ( 2.043 0.000 -3.300) 3.881 3.577 ( -1.687 0.000 0.439) 1.743 3.710 ( -5.531 0.000 5.878) 8.071 3.720 ( -2.425 0.000 -4.124) 4.784 3.820 ( -6.140 0.000 -0.577) 6.168 3.890 ( 0.930 0.000 -6.967) 7.029 3.897 ( 4.923 0.000 -5.663) 7.504 3.917 ( 0.996 0.000 -3.026) 3.186 4.013 ( 1.753 0.000 -2.971) 3.450 4.026 ( 5.385 0.000 2.382) 5.889 4.174 ( 5.927 0.000 4.717) 7.575 4.252 ( -12.366 0.000 11.847) 17.125 4.287 ( 8.133 0.000 -0.265) 8.138 4.408 ( -11.803 0.000 -3.086) 12.200 4.433 ( -2.623 0.000 -3.802) 4.619 4.457 ( 3.847 0.000 -2.121) 4.393 4.524 ( 4.196 0.000 -13.361) 14.005 4.715 ( -8.231 0.000 -3.074) 8.787 4.739 ( 1.899 0.000 11.161) 11.321 4.828 ( 9.218 0.000 -5.865) 10.925 4.866 ( 0.607 0.000 1.404) 1.529 4.912 ( 8.861 0.000 7.358) 11.518 4.942 ( -1.624 0.000 -1.944) 2.533 4.943 ( 12.369 0.000 7.478) 14.454 5.069 ( 3.117 0.000 -1.494) 3.457 5.261 ( 7.634 0.000 -4.992) 9.121 5.305 ( -2.233 0.000 1.441) 2.658 5.368 ( -7.041 0.000 2.549) 7.488 5.445 ( 1.106 0.000 -0.249) 1.134 5.537 ( -2.744 0.000 -7.294) 7.793 5.546 ( -0.466 0.000 2.085) 2.137 5.693 ( 2.544 0.000 0.208) 2.552 5.780 ( -1.025 0.000 -0.425) 1.109 5.867 ( 2.606 0.000 -1.127) 2.839 5.868 ( -2.912 0.000 -1.884) 3.468 5.927 ( -3.310 0.000 1.751) 3.745 6.037 ( 4.859 0.000 3.377) 5.917 6.054 ( 3.736 0.000 4.196) 5.618 6.267 ( -1.346 0.000 0.211) 1.363 6.419 ( 3.913 0.000 -0.776) 3.989 6.433 ( 4.029 0.000 1.704) 4.374 6.534 ( -0.473 0.000 2.913) 2.951 6.637 ( -2.100 0.000 1.290) 2.465 6.743 ( 0.611 0.000 -1.181) 1.330 6.768 ( -0.150 0.000 -2.790) 2.794 6.873 ( -0.873 0.000 0.502) 1.007 6.931 ( -2.433 0.000 -0.433) 2.472 6.998 ( -0.875 0.000 -2.372) 2.528 7.065 ( 1.968 0.000 0.515) 2.034 7.264 ( 1.399 0.000 4.227) 4.453 7.304 ( 4.033 0.000 0.876) 4.127 7.415 ( -4.802 0.000 5.977) 7.667 7.603 ( -4.016 0.000 -2.930) 4.971 7.906 ( 1.787 0.000 1.949) 2.644 7.970 ( -0.718 0.000 0.334) 0.792 8.062 ( 1.350 0.000 -1.224) 1.822 8.099 ( -1.794 0.000 1.816) 2.553 8.142 ( -4.059 0.000 -2.833) 4.950 8.317 ( 1.961 0.000 -1.021) 2.211 8.369 ( 0.075 0.000 1.335) 1.337 8.419 ( -0.548 0.000 -1.118) 1.246 8.667 ( 0.568 0.000 4.924) 4.957 8.718 ( 3.373 0.000 2.361) 4.117 8.839 ( 3.248 0.000 -1.502) 3.578 8.983 ( -1.648 0.000 -0.800) 1.832 9.020 ( -4.216 0.000 0.529) 4.250 9.112 ( -1.868 0.000 -0.195) 1.878 9.209 ( -1.486 0.000 4.363) 4.609 9.241 ( 1.530 0.000 1.951) 2.479 9.276 ( -1.139 0.000 -3.608) 3.783 9.348 ( -1.534 0.000 1.141) 1.912 9.537 ( -4.746 0.000 -5.647) 7.376 9.637 ( -3.602 0.000 -3.955) 5.349 9.680 ( 3.696 0.000 -2.663) 4.555 9.688 ( 3.733 0.000 2.688) 4.600 9.787 ( 0.769 0.000 6.185) 6.233 9.946 ( -0.389 0.000 6.176) 6.188 9.988 ( -0.146 0.000 -5.019) 5.021 10.050 ( -1.035 0.000 0.519) 1.158 10.085 ( 3.029 0.000 1.964) 3.610 10.172 ( -2.492 0.000 0.822) 2.624 10.242 ( 2.125 0.000 -3.908) 4.448 10.409 ( -3.215 0.000 -1.320) 3.475 10.421 ( 2.883 0.000 -1.616) 3.305 10.452 ( -1.939 0.000 -1.669) 2.558 10.536 ( -0.856 0.000 -0.760) 1.145 10.549 ( 5.682 0.000 -3.108) 6.476 10.713 ( 3.452 0.000 7.663) 8.404 10.737 ( -2.943 0.000 5.056) 5.850 10.848 ( -0.301 0.000 -0.130) 0.328 10.896 ( -1.424 0.000 -0.955) 1.715 10.979 ( -3.939 0.000 -0.178) 3.943 11.055 ( 0.156 0.000 0.347) 0.381 11.142 ( -1.411 0.000 2.596) 2.955 11.192 ( 4.704 0.000 -7.488) 8.843 11.249 ( 4.334 0.000 1.057) 4.461 11.513 ( 1.017 0.000 -7.768) 7.835 11.565 ( -0.535 0.000 3.176) 3.221 11.706 ( 1.641 0.000 0.547) 1.730 11.731 ( 0.955 0.000 1.716) 1.964 11.828 ( -2.432 0.000 4.502) 5.117 11.917 ( 1.951 0.000 -2.481) 3.157 12.232 ( -0.292 0.000 -2.129) 2.149 12.285 ( -2.872 0.000 2.805) 4.015 12.472 ( 5.629 0.000 7.798) 9.618 12.879 ( 0.926 0.000 -9.262) 9.308 12.891 ( 4.164 0.000 -10.934) 11.700 13.470 ( -3.442 0.000 4.495) 5.662 13.804 ( 4.027 0.000 -2.593) 4.790 13.891 ( -7.018 0.000 -2.936) 7.607 13.914 ( -3.345 0.000 -1.530) 3.678 14.114 ( 3.307 0.000 2.495) 4.142 14.202 ( 1.762 0.000 1.069) 2.061 14.308 ( 1.612 0.000 -1.379) 2.121 14.645 ( 3.663 0.000 -7.705) 8.532 14.740 ( -5.847 0.000 10.840) 12.316 14.908 ( -0.919 0.000 4.359) 4.455 15.030 ( -0.935 0.000 0.575) 1.097 15.109 ( 0.500 0.000 -1.894) 1.959 15.309 ( -2.721 0.000 2.482) 3.683 15.491 ( 0.306 0.000 -0.785) 0.842 17.056 ( 1.466 0.000 3.848) 4.118 17.269 ( 3.090 0.000 -1.393) 3.390 17.523 ( -2.059 0.000 0.254) 2.074 17.602 ( 0.576 0.000 -1.757) 1.849 18.225 ( -9.154 0.000 2.680) 9.538 18.376 ( -11.777 0.000 2.416) 12.022 18.564 ( 12.217 0.000 1.491) 12.307 18.656 ( 1.660 0.000 0.540) 1.745 18.901 ( -1.713 0.000 0.780) 1.882 19.172 ( 0.472 0.000 -2.550) 2.593 19.356 ( 0.473 0.000 -2.150) 2.201 19.424 ( 4.044 0.000 -8.740) 9.630 19.433 ( 0.189 0.000 2.228) 2.236 19.657 ( 1.596 0.000 9.297) 9.434 19.812 ( -0.941 0.000 -2.112) 2.312 19.825 ( -2.033 0.000 -0.636) 2.130 20.030 ( -4.148 0.000 -16.012) 16.540 20.285 ( 0.726 0.000 -5.836) 5.881 20.515 ( -0.558 0.000 6.374) 6.399 20.729 ( 0.838 0.000 -0.310) 0.893 20.811 ( -1.313 0.000 9.830) 9.918 20.991 ( 4.732 0.000 4.155) 6.297 21.047 ( -0.959 0.000 -2.338) 2.527 21.330 ( 5.611 0.000 -3.991) 6.886 22.519 ( -0.368 0.000 1.340) 1.389 22.557 ( -2.231 0.000 -0.860) 2.391 22.557 ( 0.356 0.000 0.826) 0.900 22.600 ( -0.834 0.000 -0.897) 1.225 ======================= Grid point 40 (18/54) ======================= q-point: (-0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( -21.589 0.000 -5.169) 22.200 1.027 ( -25.317 0.000 2.538) 25.444 1.363 ( -7.115 0.000 8.551) 11.124 1.468 ( 4.087 0.000 -6.117) 7.356 1.587 ( 4.865 0.000 4.423) 6.575 1.977 ( -6.534 0.000 1.889) 6.801 2.087 ( -19.056 0.000 0.582) 19.065 2.143 ( -20.543 0.000 0.218) 20.544 2.160 ( -13.066 0.000 -5.088) 14.022 2.348 ( -4.741 0.000 -3.023) 5.622 2.404 ( 0.914 0.000 -2.035) 2.231 2.449 ( -5.371 0.000 0.341) 5.381 2.515 ( -0.800 0.000 2.084) 2.232 2.551 ( 8.649 0.000 -1.061) 8.714 2.626 ( -2.727 0.000 -2.295) 3.564 2.668 ( 3.521 0.000 4.665) 5.845 2.704 ( -4.901 0.000 -3.367) 5.946 2.783 ( 0.029 0.000 2.551) 2.551 2.798 ( 5.836 0.000 0.913) 5.907 2.828 ( 0.677 0.000 1.433) 1.584 2.867 ( 1.299 0.000 -2.747) 3.038 3.027 ( 5.975 0.000 2.210) 6.371 3.085 ( 1.994 0.000 -0.805) 2.151 3.120 ( -3.362 0.000 1.951) 3.887 3.126 ( 0.428 0.000 3.241) 3.269 3.191 ( 1.003 0.000 3.954) 4.079 3.225 ( -0.139 0.000 -0.690) 0.704 3.282 ( -1.610 0.000 3.387) 3.750 3.342 ( -0.235 0.000 1.539) 1.557 3.371 ( 0.323 0.000 -4.723) 4.734 3.374 ( -3.818 0.000 -2.892) 4.790 3.495 ( -2.222 0.000 -4.212) 4.762 3.541 ( -3.637 0.000 4.707) 5.948 3.592 ( -5.527 0.000 2.372) 6.015 3.699 ( -4.166 0.000 0.183) 4.170 3.753 ( -7.848 0.000 -8.214) 11.361 3.849 ( 0.491 0.000 -4.085) 4.114 3.882 ( 3.275 0.000 3.913) 5.102 3.967 ( -3.280 0.000 4.380) 5.472 3.993 ( -1.126 0.000 -3.128) 3.324 4.069 ( 5.216 0.000 -4.677) 7.006 4.110 ( 0.405 0.000 -1.142) 1.212 4.261 ( -1.594 0.000 5.133) 5.374 4.278 ( -6.050 0.000 -1.675) 6.278 4.301 ( 1.922 0.000 1.690) 2.559 4.374 ( -0.023 0.000 -3.647) 3.647 4.496 ( -5.618 0.000 -9.945) 11.422 4.565 ( 7.997 0.000 -4.669) 9.260 4.635 ( 5.624 0.000 3.354) 6.548 4.811 ( -0.067 0.000 4.757) 4.757 4.862 ( -1.471 0.000 2.071) 2.540 4.868 ( -3.832 0.000 -1.876) 4.266 4.878 ( 0.422 0.000 -1.855) 1.902 5.014 ( -2.925 0.000 8.676) 9.156 5.172 ( 4.138 0.000 -0.418) 4.159 5.212 ( 4.705 0.000 -1.203) 4.856 5.298 ( 1.777 0.000 3.697) 4.102 5.308 ( 2.108 0.000 -4.047) 4.563 5.443 ( 9.702 0.000 -3.442) 10.294 5.452 ( 0.751 0.000 -4.663) 4.723 5.537 ( 8.038 0.000 5.966) 10.010 5.587 ( 5.021 0.000 3.987) 6.411 5.747 ( 0.261 0.000 -3.365) 3.375 5.762 ( 1.996 0.000 2.197) 2.968 5.800 ( -2.952 0.000 -3.170) 4.331 5.871 ( 0.358 0.000 -2.812) 2.835 5.925 ( 3.467 0.000 -0.107) 3.469 6.112 ( 0.480 0.000 3.890) 3.919 6.151 ( 3.755 0.000 0.869) 3.854 6.295 ( 4.447 0.000 3.275) 5.523 6.509 ( 4.789 0.000 -3.487) 5.924 6.542 ( 4.701 0.000 -2.270) 5.220 6.572 ( 1.958 0.000 7.365) 7.621 6.622 ( 0.456 0.000 4.820) 4.842 6.696 ( -3.586 0.000 -2.974) 4.659 6.719 ( -1.357 0.000 -5.213) 5.387 6.894 ( -2.160 0.000 -0.121) 2.164 6.905 ( 2.306 0.000 4.985) 5.493 6.979 ( 0.723 0.000 0.083) 0.728 7.072 ( 0.069 0.000 -1.828) 1.829 7.267 ( -5.618 0.000 5.990) 8.212 7.408 ( 3.548 0.000 0.365) 3.567 7.414 ( 0.623 0.000 8.394) 8.417 7.461 ( -6.323 0.000 -6.845) 9.319 7.926 ( -1.026 0.000 -0.571) 1.174 7.938 ( -4.825 0.000 -1.090) 4.947 8.042 ( -3.038 0.000 2.475) 3.918 8.044 ( -1.086 0.000 -1.794) 2.097 8.068 ( -2.150 0.000 -1.626) 2.696 8.316 ( -3.655 0.000 -1.119) 3.823 8.397 ( 2.967 0.000 1.140) 3.178 8.402 ( 2.178 0.000 -0.364) 2.208 8.697 ( -0.269 0.000 5.245) 5.251 8.802 ( 3.772 0.000 -2.495) 4.523 8.907 ( -7.763 0.000 2.146) 8.055 8.937 ( -2.955 0.000 1.501) 3.314 8.964 ( 7.846 0.000 -1.656) 8.019 9.048 ( -3.624 0.000 -0.330) 3.639 9.169 ( -5.226 0.000 1.216) 5.365 9.221 ( -4.273 0.000 -2.227) 4.819 9.289 ( 3.625 0.000 4.113) 5.483 9.330 ( -0.032 0.000 1.508) 1.509 9.432 ( -0.782 0.000 -7.506) 7.547 9.561 ( -1.029 0.000 -4.439) 4.557 9.732 ( -0.060 0.000 0.885) 0.887 9.741 ( 2.546 0.000 1.635) 3.026 9.846 ( -0.693 0.000 6.631) 6.667 9.957 ( -0.890 0.000 2.530) 2.682 9.965 ( 0.142 0.000 -4.200) 4.203 10.089 ( 1.163 0.000 6.325) 6.431 10.113 ( -1.697 0.000 -0.129) 1.702 10.124 ( -2.036 0.000 2.466) 3.198 10.210 ( -1.832 0.000 -5.970) 6.244 10.327 ( -1.350 0.000 -3.825) 4.056 10.463 ( -0.372 0.000 0.777) 0.862 10.472 ( 3.699 0.000 -2.739) 4.603 10.512 ( 1.586 0.000 -1.476) 2.167 10.626 ( 4.333 0.000 -1.578) 4.611 10.736 ( 0.537 0.000 5.005) 5.034 10.804 ( -3.524 0.000 -1.375) 3.783 10.836 ( 3.181 0.000 7.543) 8.186 10.875 ( -2.475 0.000 1.602) 2.948 10.902 ( -1.983 0.000 -0.644) 2.085 11.055 ( -0.721 0.000 0.067) 0.724 11.155 ( 1.337 0.000 -0.405) 1.396 11.239 ( 5.041 0.000 -7.477) 9.018 11.360 ( 6.491 0.000 0.895) 6.552 11.449 ( 0.401 0.000 -13.613) 13.619 11.602 ( -0.296 0.000 7.331) 7.337 11.729 ( 0.629 0.000 -2.331) 2.415 11.778 ( 2.696 0.000 2.315) 3.553 11.827 ( 0.171 0.000 2.343) 2.349 11.945 ( 2.415 0.000 -2.618) 3.562 12.175 ( -5.951 0.000 5.608) 8.177 12.270 ( 1.166 0.000 -4.407) 4.559 12.629 ( 4.819 0.000 8.243) 9.548 12.849 ( 2.761 0.000 -10.237) 10.603 12.885 ( 2.900 0.000 -11.689) 12.043 13.363 ( -10.884 0.000 5.185) 12.056 13.764 ( -4.287 0.000 -7.417) 8.567 13.811 ( 0.620 0.000 -2.818) 2.886 13.919 ( 2.252 0.000 3.624) 4.266 14.187 ( 3.267 0.000 1.316) 3.522 14.204 ( -0.814 0.000 -8.004) 8.045 14.348 ( 2.862 0.000 2.815) 4.015 14.667 ( 3.637 0.000 -7.439) 8.280 14.730 ( -3.376 0.000 14.652) 15.036 14.922 ( -0.746 0.000 4.721) 4.780 15.020 ( -0.330 0.000 2.669) 2.689 15.100 ( -0.121 0.000 -1.895) 1.899 15.264 ( -3.867 0.000 4.113) 5.646 15.490 ( 0.249 0.000 -1.063) 1.092 17.123 ( 2.946 0.000 3.871) 4.865 17.329 ( 4.263 0.000 -2.707) 5.050 17.457 ( -5.090 0.000 0.216) 5.095 17.588 ( -0.487 0.000 -3.314) 3.350 18.032 ( -11.394 0.000 1.666) 11.515 18.179 ( -10.888 0.000 2.711) 11.220 18.692 ( 1.350 0.000 0.771) 1.555 18.710 ( 0.543 0.000 1.950) 2.025 18.885 ( 1.867 0.000 -0.804) 2.033 19.126 ( -3.079 0.000 -4.353) 5.332 19.350 ( 0.336 0.000 -1.730) 1.763 19.423 ( 2.243 0.000 -12.546) 12.745 19.442 ( -0.881 0.000 -1.102) 1.411 19.729 ( -2.445 0.000 19.007) 19.164 19.801 ( 0.582 0.000 0.793) 0.984 19.811 ( 2.372 0.000 0.142) 2.376 19.824 ( -6.530 0.000 -17.164) 18.364 20.323 ( 6.713 0.000 -2.890) 7.309 20.626 ( 6.888 0.000 6.653) 9.577 20.757 ( 2.080 0.000 0.355) 2.110 20.904 ( 4.261 0.000 9.081) 10.030 21.012 ( -1.067 0.000 -3.125) 3.302 21.106 ( 4.668 0.000 3.156) 5.635 21.443 ( 8.197 0.000 -3.689) 8.989 22.493 ( -3.694 0.000 -1.136) 3.864 22.512 ( -1.322 0.000 1.657) 2.120 22.560 ( -0.676 0.000 0.497) 0.839 22.570 ( -1.490 0.000 -0.821) 1.701 ======================= Grid point 41 (19/54) ======================= q-point: (-0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.530 ( -25.128 0.000 3.869) 25.424 0.613 ( -22.488 0.000 16.076) 27.643 1.166 ( -39.652 0.000 24.980) 46.864 1.470 ( -5.617 0.000 -1.010) 5.707 1.498 ( 6.236 0.000 -13.128) 14.534 1.799 ( 11.916 0.000 3.667) 12.468 1.865 ( -12.697 0.000 -6.952) 14.476 1.929 ( -6.510 0.000 -2.779) 7.078 2.126 ( -0.528 0.000 0.634) 0.825 2.162 ( -6.466 0.000 -2.570) 6.958 2.260 ( -9.618 0.000 0.140) 9.619 2.420 ( 1.195 0.000 -6.654) 6.760 2.469 ( -4.142 0.000 -7.172) 8.282 2.549 ( -4.507 0.000 -1.467) 4.739 2.597 ( -0.423 0.000 -0.231) 0.483 2.679 ( -3.789 0.000 0.454) 3.816 2.683 ( 2.995 0.000 1.445) 3.326 2.823 ( 0.244 0.000 2.309) 2.322 2.837 ( 0.570 0.000 -4.381) 4.418 2.843 ( -0.710 0.000 -3.027) 3.109 2.904 ( 0.000 0.000 1.564) 1.564 3.026 ( -3.666 0.000 0.149) 3.669 3.102 ( 2.939 0.000 2.018) 3.565 3.118 ( 0.200 0.000 0.181) 0.270 3.141 ( -2.155 0.000 -0.799) 2.298 3.234 ( -1.785 0.000 -1.477) 2.317 3.243 ( 3.050 0.000 2.374) 3.865 3.283 ( 0.511 0.000 3.136) 3.177 3.285 ( -0.813 0.000 3.771) 3.858 3.340 ( -7.936 0.000 -2.157) 8.224 3.378 ( 3.733 0.000 -2.202) 4.334 3.457 ( 3.297 0.000 3.252) 4.631 3.500 ( -2.088 0.000 6.430) 6.760 3.552 ( -3.776 0.000 -0.087) 3.777 3.630 ( 3.401 0.000 7.707) 8.424 3.648 ( -0.402 0.000 -4.211) 4.230 3.827 ( -0.330 0.000 -8.504) 8.511 3.917 ( -0.842 0.000 0.433) 0.947 3.943 ( 3.421 0.000 -9.189) 9.805 4.037 ( -3.443 0.000 3.212) 4.709 4.082 ( -4.438 0.000 -8.000) 9.148 4.118 ( 4.901 0.000 -1.459) 5.114 4.208 ( -1.341 0.000 5.776) 5.929 4.212 ( -3.398 0.000 -6.102) 6.984 4.375 ( 2.705 0.000 7.129) 7.625 4.376 ( 4.956 0.000 -1.975) 5.335 4.407 ( -0.749 0.000 0.804) 1.099 4.621 ( 0.335 0.000 -5.020) 5.031 4.650 ( -4.480 0.000 -4.378) 6.264 4.800 ( -3.002 0.000 -1.770) 3.485 4.822 ( -1.715 0.000 -0.956) 1.963 4.861 ( 2.075 0.000 3.453) 4.028 4.974 ( -1.372 0.000 1.786) 2.253 5.001 ( 11.229 0.000 9.429) 14.662 5.191 ( 0.885 0.000 -0.823) 1.208 5.248 ( -5.792 0.000 -3.378) 6.705 5.311 ( 4.904 0.000 -2.883) 5.689 5.374 ( 2.422 0.000 10.282) 10.563 5.440 ( 0.116 0.000 -0.895) 0.903 5.491 ( 0.094 0.000 2.585) 2.586 5.628 ( 0.094 0.000 -1.555) 1.558 5.721 ( -1.984 0.000 2.193) 2.957 5.742 ( 0.843 0.000 -3.038) 3.153 5.787 ( 9.592 0.000 -4.097) 10.430 5.906 ( 2.350 0.000 1.624) 2.856 5.919 ( 11.886 0.000 6.989) 13.788 6.026 ( 7.715 0.000 -1.946) 7.957 6.131 ( -0.766 0.000 3.168) 3.260 6.185 ( 0.515 0.000 -3.196) 3.237 6.405 ( 3.483 0.000 -2.694) 4.403 6.518 ( 0.158 0.000 1.640) 1.648 6.559 ( -0.331 0.000 -4.618) 4.630 6.613 ( -2.805 0.000 4.933) 5.675 6.645 ( 0.033 0.000 0.004) 0.034 6.674 ( -0.631 0.000 -3.658) 3.712 6.726 ( 4.014 0.000 5.017) 6.425 6.861 ( 1.992 0.000 -2.750) 3.395 6.963 ( -1.759 0.000 7.173) 7.386 7.062 ( 6.819 0.000 5.545) 8.789 7.095 ( 2.550 0.000 2.785) 3.776 7.192 ( -5.289 0.000 4.977) 7.262 7.222 ( -9.521 0.000 -6.785) 11.691 7.486 ( 0.199 0.000 0.532) 0.568 7.489 ( 1.992 0.000 5.045) 5.424 7.838 ( -7.367 0.000 2.985) 7.949 7.843 ( -1.582 0.000 -2.206) 2.715 8.012 ( -1.500 0.000 -3.931) 4.208 8.033 ( 0.556 0.000 0.547) 0.780 8.060 ( 0.359 0.000 -4.417) 4.431 8.180 ( -8.865 0.000 -2.639) 9.250 8.462 ( 3.559 0.000 -2.619) 4.419 8.477 ( 5.194 0.000 -1.850) 5.513 8.730 ( -7.078 0.000 0.742) 7.117 8.765 ( -0.320 0.000 5.994) 6.002 8.809 ( 0.076 0.000 -1.214) 1.217 8.860 ( -6.760 0.000 -2.147) 7.093 8.956 ( -10.291 0.000 -1.211) 10.362 9.034 ( 2.699 0.000 1.416) 3.047 9.135 ( 4.620 0.000 -0.763) 4.682 9.146 ( -0.006 0.000 2.281) 2.281 9.366 ( 1.914 0.000 0.653) 2.022 9.424 ( 5.217 0.000 -5.257) 7.406 9.465 ( 10.985 0.000 3.620) 11.566 9.542 ( 0.698 0.000 -1.631) 1.775 9.718 ( -2.041 0.000 -1.355) 2.449 9.788 ( -7.533 0.000 3.339) 8.240 9.795 ( 0.386 0.000 5.185) 5.199 9.913 ( -1.914 0.000 -4.473) 4.865 9.976 ( 0.165 0.000 4.405) 4.408 10.079 ( -1.952 0.000 2.730) 3.356 10.110 ( -1.019 0.000 -1.193) 1.569 10.111 ( -3.408 0.000 1.316) 3.654 10.134 ( -1.122 0.000 -1.678) 2.018 10.325 ( 2.500 0.000 -2.558) 3.577 10.432 ( -0.799 0.000 -3.488) 3.579 10.513 ( 1.514 0.000 -2.270) 2.729 10.562 ( 2.530 0.000 -1.259) 2.826 10.632 ( -3.989 0.000 -11.477) 12.150 10.757 ( 0.896 0.000 0.512) 1.032 10.787 ( -0.216 0.000 4.562) 4.567 10.857 ( -0.994 0.000 6.493) 6.569 10.868 ( -5.608 0.000 -5.013) 7.522 10.908 ( 2.650 0.000 0.370) 2.676 11.020 ( -3.027 0.000 -0.090) 3.028 11.097 ( -6.882 0.000 -11.053) 13.021 11.258 ( 1.021 0.000 -5.180) 5.280 11.371 ( 0.752 0.000 -7.874) 7.910 11.487 ( 6.377 0.000 -0.789) 6.426 11.624 ( -1.969 0.000 5.282) 5.637 11.697 ( -1.816 0.000 -2.533) 3.117 11.837 ( 2.236 0.000 0.346) 2.262 11.849 ( 1.209 0.000 -1.300) 1.775 11.971 ( 1.654 0.000 0.018) 1.654 12.107 ( -5.889 0.000 7.714) 9.705 12.263 ( 1.883 0.000 -6.390) 6.661 12.716 ( -0.046 0.000 1.167) 1.168 12.852 ( 4.027 0.000 -8.603) 9.498 12.864 ( 3.445 0.000 -9.844) 10.430 13.198 ( -9.025 0.000 5.605) 10.624 13.574 ( -11.670 0.000 -13.443) 17.801 13.848 ( 3.488 0.000 -0.175) 3.493 13.946 ( -2.445 0.000 2.790) 3.710 14.099 ( -3.618 0.000 -2.351) 4.315 14.252 ( 2.733 0.000 1.459) 3.099 14.424 ( 2.579 0.000 1.796) 3.143 14.676 ( 2.559 0.000 -7.643) 8.060 14.797 ( 0.874 0.000 9.672) 9.712 14.934 ( -1.276 0.000 4.323) 4.508 15.087 ( 0.201 0.000 -1.684) 1.696 15.093 ( 5.146 0.000 2.272) 5.626 15.273 ( 2.738 0.000 13.368) 13.646 15.490 ( 0.568 0.000 -1.159) 1.291 17.199 ( 1.966 0.000 3.649) 4.145 17.355 ( -4.921 0.000 -0.770) 4.981 17.357 ( 1.035 0.000 -7.665) 7.735 17.541 ( -1.832 0.000 -7.805) 8.017 17.823 ( -12.943 0.000 -5.074) 13.902 18.015 ( -7.678 0.000 0.259) 7.682 18.667 ( -3.447 0.000 0.567) 3.494 18.712 ( 0.230 0.000 0.870) 0.900 18.893 ( -16.552 0.000 -21.606) 27.217 18.926 ( 1.842 0.000 -2.176) 2.851 19.339 ( -2.960 0.000 -2.779) 4.060 19.354 ( 0.995 0.000 -0.425) 1.082 19.405 ( -1.062 0.000 -0.380) 1.128 19.640 ( -3.851 0.000 -2.146) 4.408 19.824 ( 3.590 0.000 -1.347) 3.834 19.840 ( 1.843 0.000 0.720) 1.979 20.060 ( 19.879 0.000 35.041) 40.287 20.472 ( 8.813 0.000 0.094) 8.813 20.787 ( 5.546 0.000 3.589) 6.606 20.804 ( 1.694 0.000 2.061) 2.668 20.965 ( -1.494 0.000 -3.412) 3.725 21.077 ( 8.087 0.000 8.772) 11.931 21.199 ( 3.871 0.000 6.596) 7.648 21.555 ( 5.687 0.000 -2.561) 6.237 22.424 ( -2.521 0.000 -0.540) 2.578 22.497 ( -1.116 0.000 0.751) 1.345 22.540 ( -1.424 0.000 -0.118) 1.429 22.540 ( -1.368 0.000 -1.171) 1.801 ======================= Grid point 42 (20/54) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.599 ( 0.465 15.651 12.101) 19.789 0.693 ( -1.491 18.631 16.554) 24.968 1.374 ( 0.496 33.389 11.793) 35.414 1.437 ( -2.094 5.956 2.335) 6.732 1.481 ( -2.567 -1.827 -5.892) 6.681 1.704 ( 6.066 -0.784 -7.923) 10.009 1.854 ( -0.654 1.094 -2.278) 2.610 1.937 ( -2.480 3.584 1.241) 4.532 1.999 ( 3.748 -4.493 2.584) 6.396 2.045 ( -2.966 -5.063 -4.637) 7.479 2.245 ( 0.355 -0.411 -7.268) 7.288 2.275 ( 1.980 -0.546 8.115) 8.371 2.401 ( 0.375 -3.648 -2.101) 4.226 2.475 ( -3.436 -1.440 -1.201) 3.915 2.568 ( 0.508 -3.219 1.271) 3.498 2.618 ( 2.691 0.545 2.527) 3.731 2.764 ( 2.289 0.676 -0.262) 2.401 2.785 ( 0.253 3.534 -2.670) 4.436 2.834 ( -2.931 5.470 -3.674) 7.212 2.852 ( 0.101 3.552 -4.086) 5.415 2.912 ( -3.558 3.714 -1.676) 5.409 2.997 ( -0.406 0.001 -0.688) 0.799 3.085 ( -1.378 -0.880 -0.238) 1.652 3.123 ( -2.736 -1.562 -1.597) 3.532 3.162 ( -0.849 -0.935 0.111) 1.268 3.226 ( 3.781 1.941 -1.114) 4.394 3.266 ( 2.260 1.087 1.674) 3.015 3.293 ( 0.213 0.626 2.506) 2.591 3.329 ( 2.480 -1.171 0.874) 2.878 3.408 ( 0.829 -1.427 0.823) 1.845 3.421 ( 1.670 2.018 1.495) 3.016 3.489 ( -3.501 -2.352 3.100) 5.235 3.512 ( -1.610 1.391 2.907) 3.603 3.599 ( -1.919 1.368 0.028) 2.356 3.642 ( 5.162 3.231 2.258) 6.495 3.665 ( -1.243 8.121 0.819) 8.256 3.759 ( -1.938 0.704 -1.445) 2.518 3.862 ( 1.185 -5.049 -0.298) 5.194 3.900 ( 0.289 1.376 -4.125) 4.358 3.944 ( -2.642 -2.253 -1.687) 3.860 3.967 ( 2.857 -6.763 -1.614) 7.517 4.138 ( 2.591 -12.130 1.800) 12.533 4.147 ( -1.534 -0.163 -0.331) 1.578 4.250 ( -0.762 -2.349 2.739) 3.688 4.296 ( 1.003 -5.615 -2.199) 6.113 4.413 ( 0.137 -0.302 3.286) 3.303 4.466 ( 0.759 0.170 0.307) 0.836 4.487 ( 1.931 4.090 4.753) 6.561 4.591 ( -1.671 0.402 -6.572) 6.793 4.702 ( 1.658 -10.205 1.170) 10.405 4.781 ( -1.511 -0.346 0.447) 1.613 4.808 ( 0.205 -8.803 -0.899) 8.851 5.020 ( 3.116 3.404 -1.871) 4.979 5.047 ( -7.120 0.221 0.152) 7.125 5.236 ( 1.444 -5.386 2.517) 6.118 5.239 ( -1.561 -2.602 -0.238) 3.044 5.261 ( 1.724 -1.659 -4.208) 4.841 5.392 ( 1.902 -1.553 4.729) 5.328 5.420 ( 3.286 -1.910 0.231) 3.808 5.554 ( -1.523 -4.048 -2.974) 5.249 5.611 ( -0.913 -1.080 0.638) 1.551 5.714 ( -0.921 -4.023 -0.795) 4.203 5.798 ( 2.982 8.093 3.361) 9.257 5.913 ( 0.669 0.740 0.516) 1.123 5.983 ( -0.324 2.885 1.982) 3.515 6.017 ( -3.166 0.175 0.407) 3.197 6.138 ( 0.640 2.324 -1.894) 3.066 6.176 ( 0.039 -1.267 -1.481) 1.949 6.310 ( 2.789 5.476 -8.183) 10.233 6.371 ( -2.532 6.135 -6.473) 9.271 6.536 ( -0.548 2.161 -1.124) 2.497 6.561 ( -0.422 -0.201 -6.364) 6.382 6.600 ( -3.162 0.609 -0.084) 3.221 6.624 ( 1.060 -1.244 -1.491) 2.212 6.683 ( 2.168 0.678 -0.233) 2.284 6.752 ( -1.522 -4.364 -0.994) 4.728 6.942 ( -3.221 0.367 1.562) 3.599 7.003 ( 1.492 0.260 6.009) 6.197 7.082 ( -2.251 4.511 3.940) 6.398 7.134 ( -5.588 2.379 6.445) 8.856 7.202 ( 0.282 1.207 3.976) 4.165 7.244 ( 0.773 -0.713 9.181) 9.241 7.501 ( 6.026 3.114 1.576) 6.963 7.611 ( 2.855 5.415 -0.943) 6.194 7.689 ( -0.148 -2.013 -0.841) 2.187 7.827 ( -1.792 2.325 5.535) 6.265 7.864 ( -0.396 -3.099 -0.089) 3.126 7.948 ( 0.794 -2.451 -4.694) 5.355 8.123 ( 0.591 2.961 -0.714) 3.103 8.213 ( -2.989 8.058 -2.965) 9.091 8.465 ( -3.488 -1.781 -6.091) 7.242 8.576 ( -1.463 2.989 0.331) 3.344 8.617 ( 1.073 -2.929 -3.196) 4.466 8.673 ( 1.479 -0.212 -1.687) 2.254 8.761 ( 0.084 0.078 -1.511) 1.516 8.800 ( 1.283 -2.932 1.893) 3.719 8.925 ( 0.805 3.560 0.247) 3.658 9.101 ( -0.371 -0.480 3.118) 3.177 9.153 ( 7.362 -2.214 -4.020) 8.675 9.230 ( -5.321 -2.427 -2.862) 6.511 9.375 ( -11.036 -0.342 8.026) 13.650 9.502 ( 5.755 -0.092 3.315) 6.642 9.527 ( -1.866 0.959 -0.730) 2.221 9.557 ( 1.477 -1.721 0.980) 2.470 9.635 ( 2.314 1.150 -1.472) 2.974 9.730 ( -7.296 -3.601 7.079) 10.785 9.770 ( 0.849 2.498 1.315) 2.948 9.899 ( 2.509 1.493 -1.857) 3.460 9.909 ( -0.085 -0.709 3.314) 3.390 9.994 ( 1.412 6.273 -0.224) 6.434 10.024 ( -2.778 -1.525 1.481) 3.498 10.119 ( 0.876 1.530 -2.112) 2.752 10.137 ( 0.046 0.992 -2.261) 2.470 10.314 ( 1.840 -3.155 -1.462) 3.934 10.397 ( 1.093 -0.867 -4.502) 4.714 10.452 ( 0.217 -5.394 -4.153) 6.811 10.489 ( 1.627 -0.221 1.906) 2.516 10.534 ( -2.755 -3.853 -7.494) 8.865 10.721 ( -0.417 -2.461 -1.238) 2.786 10.790 ( 2.480 -0.287 2.260) 3.367 10.849 ( -0.246 -1.461 3.707) 3.992 10.874 ( -2.731 3.034 -0.267) 4.090 10.954 ( 2.823 0.503 -0.192) 2.874 11.020 ( 2.654 0.985 1.253) 3.095 11.109 ( -1.443 8.140 -3.592) 9.013 11.281 ( 2.941 4.704 -0.967) 5.631 11.364 ( 0.998 -0.284 0.878) 1.359 11.495 ( -3.151 0.011 -3.407) 4.640 11.609 ( 0.339 0.351 2.507) 2.554 11.713 ( 0.894 -2.225 3.354) 4.123 11.788 ( 2.665 -2.922 1.163) 4.122 11.917 ( -4.497 -2.476 0.490) 5.156 11.969 ( -3.763 -2.333 3.228) 5.480 12.044 ( 2.182 8.051 -0.485) 8.356 12.202 ( 2.818 -6.160 -4.700) 8.245 12.593 ( -0.899 -6.254 -10.873) 12.575 12.808 ( -0.703 -1.017 -2.173) 2.500 12.893 ( 2.819 2.378 -6.851) 7.781 13.168 ( -1.440 4.054 7.056) 8.264 13.518 ( 2.952 4.022 -6.574) 8.253 13.876 ( 1.453 -2.662 3.562) 4.678 13.898 ( -0.427 -2.493 5.169) 5.755 14.079 ( -0.154 0.883 0.355) 0.964 14.378 ( -1.573 5.422 3.204) 6.491 14.407 ( -0.049 -3.015 -2.430) 3.873 14.609 ( 2.002 -3.614 0.369) 4.148 14.790 ( -0.745 -3.170 9.053) 9.621 14.942 ( -0.062 0.901 0.205) 0.926 15.069 ( -0.044 -1.051 1.444) 1.787 15.097 ( -4.580 -3.806 3.635) 6.977 15.269 ( -1.877 2.605 4.711) 5.701 15.488 ( 1.061 -1.521 -0.550) 1.935 17.265 ( 4.185 3.439 -0.808) 5.477 17.328 ( -1.134 2.761 -2.105) 3.653 17.433 ( -0.401 3.042 -1.479) 3.406 17.509 ( -1.075 4.530 -5.851) 7.477 17.733 ( -0.859 8.986 2.605) 9.395 18.163 ( -3.623 19.312 -19.864) 27.940 18.604 ( -0.286 -1.079 0.821) 1.386 18.629 ( -1.630 -0.751 0.025) 1.794 18.716 ( 0.007 -0.122 1.422) 1.427 18.979 ( 1.431 1.011 -0.564) 1.841 19.096 ( -0.500 -10.328 -4.225) 11.170 19.395 ( 1.472 1.328 -2.507) 3.196 19.504 ( 0.337 2.692 0.847) 2.842 19.606 ( -0.129 0.317 -2.350) 2.375 19.830 ( 1.253 -1.619 -0.874) 2.226 19.860 ( -0.421 -0.898 -0.929) 1.358 20.463 ( 1.806 -6.196 5.267) 8.330 20.597 ( 8.719 -13.175 9.931) 18.661 20.744 ( 1.294 -0.883 -0.399) 1.616 20.792 ( -1.076 -1.952 0.952) 2.424 21.054 ( -2.038 4.213 -0.694) 4.731 21.112 ( -2.401 3.542 -1.692) 4.601 21.296 ( -1.726 -1.514 11.045) 11.281 21.682 ( 2.040 -2.302 -5.531) 6.328 22.416 ( 0.949 0.552 0.761) 1.336 22.464 ( -0.760 -0.835 0.572) 1.266 22.480 ( -0.945 0.381 -0.500) 1.135 22.517 ( -0.110 -0.555 -0.398) 0.692 ======================= Grid point 43 (21/54) ======================= q-point: ( 0.14 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.726 ( 10.379 12.514 3.891) 16.717 1.054 ( 18.460 9.124 17.373) 26.941 1.231 ( -4.227 2.228 -12.433) 13.319 1.444 ( -0.866 -2.995 -1.988) 3.698 1.701 ( 11.652 15.972 8.242) 21.420 1.817 ( 10.551 0.698 -6.659) 12.497 1.921 ( 6.304 8.242 -0.470) 10.387 1.964 ( 2.936 2.108 -4.194) 5.537 2.028 ( 3.214 -6.726 1.057) 7.529 2.070 ( 7.760 6.093 6.851) 12.011 2.267 ( 7.030 -6.557 -6.291) 11.489 2.364 ( 1.732 -3.035 -5.216) 6.278 2.439 ( 1.972 3.425 2.409) 4.628 2.479 ( 4.883 -4.699 4.170) 7.956 2.572 ( -2.682 1.561 -2.324) 3.877 2.662 ( 2.016 0.858 2.608) 3.406 2.731 ( -3.368 3.682 -3.487) 6.087 2.748 ( -3.957 1.778 -2.681) 5.100 2.793 ( 1.439 2.203 1.909) 3.251 2.817 ( 0.964 3.640 0.288) 3.777 2.881 ( -0.492 1.659 0.415) 1.779 3.000 ( -2.457 -3.069 -1.696) 4.282 3.072 ( 0.724 -1.495 1.088) 1.986 3.147 ( 6.049 0.511 0.420) 6.085 3.168 ( -5.798 -3.317 -4.175) 7.877 3.211 ( 3.453 -1.793 -0.555) 3.930 3.284 ( 0.803 2.148 2.146) 3.140 3.302 ( -4.252 -3.521 0.761) 5.573 3.366 ( 4.430 3.239 3.546) 6.534 3.377 ( 1.457 6.219 -0.873) 6.447 3.461 ( -1.901 2.068 2.461) 3.734 3.494 ( 1.892 2.836 -0.206) 3.415 3.532 ( 3.128 1.190 0.099) 3.348 3.605 ( -7.355 4.926 2.249) 9.134 3.631 ( 4.475 -1.038 -2.002) 5.011 3.686 ( -0.384 -1.785 2.344) 2.972 3.790 ( 7.489 -0.165 -2.211) 7.810 3.835 ( 2.186 4.401 -9.451) 10.652 3.959 ( 4.098 0.052 1.430) 4.340 3.986 ( 3.474 -3.702 1.636) 5.333 4.037 ( 4.462 -1.065 -0.814) 4.659 4.086 ( -2.066 3.394 -2.513) 4.701 4.228 ( 3.160 -11.552 4.782) 12.896 4.256 ( -0.577 -4.402 3.713) 5.788 4.284 ( -1.413 -2.376 -1.200) 3.014 4.424 ( -0.489 -1.557 2.698) 3.153 4.445 ( 0.813 1.219 -3.319) 3.628 4.525 ( 0.235 3.269 -5.244) 6.184 4.559 ( 0.030 0.992 0.116) 0.999 4.736 ( -2.250 -2.542 -1.487) 3.706 4.763 ( 2.086 -12.745 -0.823) 12.941 4.848 ( 3.233 -7.948 3.382) 9.223 4.984 ( 0.455 6.121 4.685) 7.722 5.043 ( 0.640 1.685 -2.687) 3.235 5.130 ( -7.772 0.522 2.549) 8.196 5.240 ( 0.388 -3.602 -7.680) 8.491 5.301 ( 2.569 -9.384 -3.875) 10.473 5.384 ( -6.035 -3.609 -1.029) 7.106 5.447 ( -2.342 -6.279 3.740) 7.675 5.494 ( -1.628 -0.297 -3.086) 3.502 5.577 ( -3.728 -2.856 0.745) 4.754 5.661 ( -2.074 1.020 -1.352) 2.678 5.862 ( -0.679 9.904 4.616) 10.948 5.889 ( -3.363 -3.546 0.199) 4.892 5.920 ( -5.219 -1.606 3.387) 6.425 5.958 ( -2.843 2.554 1.639) 4.158 6.076 ( -4.719 2.933 -3.910) 6.794 6.150 ( -2.250 4.014 -1.654) 4.889 6.245 ( -5.166 5.322 -2.055) 7.696 6.285 ( -3.900 6.598 -1.005) 7.730 6.441 ( -2.363 -0.266 0.537) 2.438 6.500 ( -3.395 -1.156 -1.055) 3.738 6.583 ( -0.514 -1.843 -1.573) 2.478 6.670 ( 1.615 -0.552 -5.247) 5.518 6.687 ( 3.421 -1.589 -0.001) 3.772 6.763 ( 1.650 2.412 0.862) 3.047 6.848 ( -4.348 -1.651 1.880) 5.017 6.982 ( -6.228 -3.239 2.004) 7.300 7.056 ( -3.179 8.543 6.355) 11.112 7.125 ( 0.551 4.700 5.184) 7.019 7.172 ( -2.636 6.327 3.679) 7.779 7.411 ( 4.967 -2.955 3.950) 7.000 7.575 ( -3.741 3.652 3.383) 6.227 7.603 ( 0.216 -1.587 4.679) 4.945 7.775 ( 7.083 -1.812 -3.825) 8.251 7.858 ( 1.591 -2.994 -4.262) 5.446 7.919 ( 3.736 1.233 -0.086) 3.935 8.023 ( 9.045 -1.251 1.157) 9.204 8.113 ( -0.763 1.035 0.501) 1.380 8.172 ( 0.918 1.792 -2.236) 3.009 8.313 ( -4.686 3.179 -4.709) 7.365 8.430 ( -5.020 1.339 -2.577) 5.799 8.673 ( 0.250 6.488 -3.326) 7.295 8.792 ( 6.477 -3.074 -1.132) 7.258 8.822 ( 5.860 0.633 2.484) 6.396 8.904 ( 6.007 -1.603 2.111) 6.566 8.968 ( 3.633 -1.893 -0.012) 4.096 9.051 ( -6.359 -1.277 -0.346) 6.496 9.084 ( -2.451 -0.140 0.768) 2.572 9.182 ( -1.713 3.183 -1.268) 3.831 9.310 ( -0.594 2.173 0.471) 2.301 9.448 ( -4.573 3.052 3.000) 6.263 9.561 ( 1.430 1.208 -0.717) 2.005 9.606 ( 0.780 -0.599 -4.946) 5.043 9.653 ( 3.247 -1.148 2.367) 4.179 9.718 ( -1.891 -2.612 7.719) 8.365 9.823 ( 1.330 3.281 2.471) 4.317 9.865 ( -1.645 -3.394 -3.439) 5.104 9.958 ( -0.645 0.755 -1.609) 1.891 10.027 ( 3.841 -0.591 1.052) 4.026 10.063 ( 3.057 5.682 -2.798) 7.033 10.123 ( 0.788 1.710 -0.532) 1.957 10.221 ( 7.158 -3.107 5.655) 9.638 10.315 ( 0.380 -3.288 -1.925) 3.829 10.367 ( -1.055 -2.532 -3.957) 4.815 10.442 ( 1.465 -4.181 -3.381) 5.573 10.471 ( 0.949 -0.368 -4.816) 4.922 10.536 ( -0.253 -6.103 1.041) 6.197 10.679 ( -2.238 -2.833 -3.430) 4.980 10.772 ( -4.186 -0.615 -3.531) 5.510 10.859 ( 2.470 -2.793 0.673) 3.789 10.905 ( -1.026 -1.359 8.955) 9.116 10.974 ( -0.386 0.375 0.651) 0.844 11.078 ( 1.307 -0.619 1.102) 1.818 11.132 ( 6.744 6.287 -7.143) 11.663 11.300 ( -2.117 7.274 0.020) 7.576 11.386 ( 0.166 -0.748 -4.957) 5.016 11.416 ( -0.661 -0.232 2.895) 2.978 11.644 ( 0.417 -0.614 3.815) 3.887 11.732 ( -3.863 -2.279 -2.475) 5.123 11.742 ( -0.591 -2.108 1.793) 2.830 11.865 ( -3.370 3.848 -3.377) 6.129 11.987 ( 2.741 -7.397 4.722) 9.194 12.070 ( 1.327 6.806 0.848) 6.986 12.239 ( 3.210 -4.427 -2.820) 6.152 12.542 ( 0.274 -1.788 -6.894) 7.128 12.747 ( -0.604 -4.417 -8.350) 9.466 12.944 ( 5.448 0.807 -4.691) 7.235 13.213 ( 1.213 2.005 7.273) 7.641 13.563 ( 5.437 -1.545 -5.594) 7.952 13.870 ( -3.302 -4.691 2.755) 6.364 13.940 ( 0.637 -2.880 4.447) 5.336 14.104 ( 1.583 -1.064 -0.033) 1.908 14.307 ( -4.301 -1.163 -0.714) 4.513 14.424 ( -0.138 5.611 2.264) 6.052 14.637 ( 1.310 -1.236 -1.532) 2.364 14.829 ( -0.771 -2.079 6.897) 7.245 14.949 ( -0.372 0.069 0.573) 0.687 15.015 ( -3.965 1.601 3.636) 5.613 15.083 ( -0.011 -1.148 2.146) 2.434 15.281 ( 0.649 4.122 2.907) 5.086 15.499 ( 0.534 -0.844 -0.807) 1.284 17.226 ( -4.499 7.929 -1.676) 9.270 17.344 ( 1.676 3.797 -1.185) 4.317 17.430 ( 1.546 2.887 -1.333) 3.536 17.546 ( 6.278 6.255 -4.889) 10.121 17.836 ( 8.344 4.648 4.188) 10.429 18.021 ( 0.239 11.169 -8.051) 13.770 18.626 ( 0.037 -6.048 0.844) 6.106 18.646 ( 1.901 -2.499 -0.023) 3.139 18.748 ( 4.255 0.844 0.109) 4.340 18.960 ( 1.766 6.453 -6.003) 8.989 19.159 ( 3.652 -14.172 3.069) 14.953 19.393 ( -0.121 -4.041 -4.290) 5.895 19.490 ( -1.266 2.076 0.352) 2.457 19.642 ( 4.340 3.152 -0.874) 5.435 19.804 ( -2.425 0.191 -0.998) 2.629 19.856 ( 0.220 -1.458 -0.674) 1.621 20.422 ( -6.802 -5.995 4.119) 9.959 20.622 ( -3.609 -8.049 1.517) 8.950 20.733 ( -4.391 0.070 -1.258) 4.568 20.825 ( 0.607 -2.141 5.158) 5.617 20.922 ( -10.487 2.410 0.545) 10.774 21.080 ( -1.377 1.695 -0.056) 2.184 21.244 ( -8.560 3.820 7.473) 11.988 21.597 ( -6.071 -1.193 -2.860) 6.817 22.457 ( 0.489 0.511 -0.992) 1.218 22.466 ( 3.122 0.515 1.084) 3.345 22.508 ( 2.829 -0.985 0.256) 3.007 22.524 ( 1.239 -0.782 -0.485) 1.544 ======================= Grid point 44 (22/54) ======================= q-point: ( 0.29 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( 10.674 3.120 -6.250) 12.756 1.161 ( 2.018 10.041 -6.307) 12.028 1.443 ( 5.144 -0.977 0.724) 5.286 1.496 ( 15.964 1.414 16.290) 22.851 1.805 ( -0.102 2.304 2.347) 3.291 1.891 ( 2.635 1.247 -0.647) 2.986 2.023 ( 7.040 0.704 -8.025) 10.698 2.052 ( 7.213 3.938 -6.750) 10.634 2.158 ( 8.554 -3.654 1.778) 9.470 2.266 ( 4.045 2.194 -5.787) 7.394 2.345 ( 8.547 3.722 -0.521) 9.337 2.388 ( -7.346 -1.171 0.597) 7.463 2.434 ( 2.550 -2.711 -5.016) 6.245 2.484 ( -1.396 -1.834 -1.390) 2.691 2.572 ( 0.549 -1.490 -0.579) 1.690 2.660 ( -6.772 -2.762 -1.385) 7.444 2.708 ( -1.985 -2.032 1.852) 3.391 2.745 ( -3.272 -1.864 0.865) 3.864 2.770 ( 5.839 -0.829 2.698) 6.486 2.817 ( 0.443 0.790 0.168) 0.921 2.939 ( 1.836 2.191 3.030) 4.166 3.016 ( 8.586 -0.103 4.075) 9.504 3.114 ( 2.411 0.916 1.143) 2.821 3.174 ( -4.461 -2.984 3.174) 6.235 3.183 ( -1.969 -2.445 0.541) 3.186 3.192 ( 7.385 5.887 4.775) 10.583 3.307 ( 1.600 5.201 0.078) 5.442 3.347 ( 6.240 2.062 -0.347) 6.581 3.388 ( 1.610 7.680 1.178) 7.935 3.445 ( 0.394 5.898 0.603) 5.942 3.477 ( -0.406 3.821 1.597) 4.161 3.520 ( 3.613 3.935 3.418) 6.342 3.567 ( 3.715 -1.326 -1.637) 4.270 3.608 ( 3.354 1.009 -1.551) 3.831 3.694 ( 3.634 -1.541 -3.182) 5.070 3.704 ( 1.115 -3.530 1.679) 4.065 3.845 ( 2.042 2.513 -1.421) 3.536 3.891 ( 5.170 4.548 -2.761) 7.419 3.957 ( -0.463 4.425 -3.265) 5.519 4.052 ( 3.006 -2.290 -2.837) 4.725 4.089 ( 3.365 3.080 1.025) 4.676 4.131 ( 1.973 -0.428 -2.172) 2.966 4.225 ( -2.934 0.985 0.090) 3.096 4.294 ( 0.953 -4.436 6.984) 8.328 4.319 ( 6.753 -0.502 -3.450) 7.600 4.440 ( 1.317 -3.939 3.955) 5.735 4.474 ( -0.664 -1.181 -3.354) 3.618 4.517 ( 5.995 -0.507 -4.864) 7.737 4.535 ( -1.310 0.352 -0.472) 1.436 4.700 ( -1.148 -0.376 -1.269) 1.752 4.715 ( -6.460 -11.381 0.250) 13.089 4.924 ( -0.448 -5.553 -0.446) 5.588 4.950 ( -2.396 1.988 -1.717) 3.555 5.019 ( -5.519 1.219 0.606) 5.685 5.085 ( -5.051 -0.619 -4.663) 6.902 5.155 ( -3.717 7.153 2.298) 8.382 5.224 ( 5.078 -2.652 -1.419) 5.902 5.306 ( -0.628 -7.555 -3.850) 8.503 5.399 ( -6.872 -0.416 1.642) 7.078 5.475 ( 0.619 -5.082 -0.020) 5.119 5.549 ( -0.563 -1.006 -3.613) 3.793 5.638 ( 0.458 0.416 1.181) 1.334 5.798 ( -5.370 -1.771 4.435) 7.187 5.809 ( -5.526 -2.684 1.213) 6.262 5.873 ( -3.252 5.092 0.737) 6.087 5.912 ( -4.150 1.731 3.675) 5.807 5.981 ( -3.147 -1.581 -1.170) 3.712 6.044 ( -7.037 2.441 -2.240) 7.778 6.125 ( -6.955 2.675 2.029) 7.723 6.268 ( 0.898 6.702 1.841) 7.008 6.397 ( -5.976 -5.515 2.019) 8.379 6.478 ( 1.977 -0.985 0.087) 2.210 6.579 ( 2.281 0.334 -2.044) 3.081 6.628 ( -4.575 0.424 1.007) 4.703 6.723 ( -0.342 -3.114 -3.725) 4.867 6.748 ( -0.819 -1.294 -0.072) 1.533 6.859 ( 3.125 1.510 -0.021) 3.471 6.936 ( -0.390 -0.402 2.500) 2.562 7.039 ( -1.107 5.728 2.247) 6.252 7.104 ( -4.945 3.948 3.687) 7.323 7.195 ( 3.024 5.963 -0.549) 6.708 7.418 ( -3.786 -1.733 -1.119) 4.311 7.515 ( -4.735 2.123 4.788) 7.060 7.637 ( 0.681 -2.451 3.709) 4.498 7.834 ( -1.196 -3.772 -1.030) 4.089 7.899 ( 4.306 -2.183 -0.754) 4.886 7.979 ( 4.964 0.179 -0.235) 4.973 8.075 ( 0.169 -0.949 -3.067) 3.215 8.149 ( 2.005 1.421 1.617) 2.942 8.252 ( 6.954 0.460 -0.475) 6.985 8.301 ( 3.677 4.814 -2.334) 6.492 8.377 ( 0.226 3.264 -1.458) 3.582 8.654 ( -1.005 3.768 -0.891) 4.000 8.793 ( -4.574 -1.913 0.179) 4.961 8.899 ( -0.056 -0.240 2.163) 2.177 8.938 ( -0.125 -1.442 -0.518) 1.538 9.005 ( 4.685 2.118 0.449) 5.162 9.095 ( 6.117 -3.162 1.526) 7.053 9.106 ( -0.980 2.060 2.068) 3.079 9.207 ( 5.285 0.484 -2.418) 5.832 9.248 ( -2.682 4.225 0.249) 5.011 9.423 ( -0.491 4.875 -2.404) 5.458 9.596 ( 2.192 2.065 -0.543) 3.060 9.611 ( 1.035 -0.696 3.463) 3.681 9.692 ( -0.591 1.075 5.124) 5.269 9.733 ( -0.550 -4.239 -1.790) 4.635 9.792 ( -3.604 -2.559 -1.451) 4.653 9.852 ( 0.358 -1.640 1.735) 2.415 9.970 ( 3.019 -1.069 -1.414) 3.501 10.018 ( -1.580 3.260 -2.820) 4.591 10.131 ( 2.039 3.110 2.705) 4.598 10.180 ( 5.315 3.144 -1.351) 6.321 10.244 ( -2.302 -1.845 -2.743) 4.028 10.316 ( 2.050 -2.455 -3.135) 4.478 10.402 ( -1.664 -2.640 2.329) 3.894 10.444 ( 0.411 -1.970 -1.208) 2.347 10.512 ( 6.017 -1.712 3.151) 7.005 10.559 ( 4.116 -4.155 -0.633) 5.883 10.607 ( -3.003 -2.640 -3.175) 5.106 10.678 ( -2.877 -0.720 -3.521) 4.604 10.891 ( 0.855 -2.446 -0.630) 2.666 10.908 ( -2.565 -0.746 2.633) 3.750 10.974 ( -0.566 -0.281 3.935) 3.985 11.083 ( -0.544 -0.016 -0.803) 0.970 11.194 ( 1.229 3.633 -2.047) 4.347 11.229 ( -1.558 1.174 -3.084) 3.649 11.319 ( -4.974 2.665 0.286) 5.650 11.457 ( 0.880 -1.786 1.932) 2.774 11.607 ( -1.556 -2.264 -3.147) 4.177 11.717 ( -1.376 -0.375 0.109) 1.430 11.764 ( 2.580 0.758 4.665) 5.384 11.793 ( -2.132 4.094 -0.503) 4.644 12.011 ( -0.014 3.141 -2.504) 4.017 12.136 ( 3.313 -0.950 2.610) 4.324 12.272 ( 1.118 -3.808 0.044) 3.969 12.473 ( -4.323 4.630 -1.586) 6.530 12.729 ( 5.239 -9.647 -11.421) 15.842 12.990 ( 2.533 1.589 -4.956) 5.788 13.288 ( 1.497 -4.657 6.150) 7.858 13.623 ( 3.983 -5.851 -4.546) 8.412 13.835 ( -0.380 -5.905 0.258) 5.923 13.973 ( -0.176 -5.992 3.998) 7.205 14.106 ( -0.862 -0.518 -1.087) 1.481 14.236 ( -3.789 0.467 2.110) 4.362 14.419 ( -1.387 7.662 0.983) 7.849 14.634 ( 0.411 -0.583 -4.242) 4.302 14.849 ( -1.442 1.019 5.760) 6.024 14.922 ( -2.248 1.425 3.460) 4.365 15.025 ( 1.377 2.155 1.728) 3.086 15.095 ( 0.296 -0.584 0.368) 0.751 15.319 ( 1.455 3.478 1.969) 4.253 15.500 ( 0.365 0.040 -1.066) 1.128 17.151 ( -2.741 10.263 0.047) 10.622 17.342 ( -0.292 7.416 -2.030) 7.694 17.481 ( 3.733 1.097 0.212) 3.897 17.607 ( 2.973 4.614 -3.110) 6.309 18.042 ( 10.148 0.205 2.790) 10.526 18.078 ( 8.755 2.630 -1.721) 9.302 18.599 ( -3.346 -8.907 0.722) 9.542 18.659 ( -1.800 -4.416 1.686) 5.058 18.859 ( 5.860 1.018 -0.559) 5.974 18.980 ( 4.229 2.757 -4.031) 6.460 19.237 ( 3.694 -10.772 0.985) 11.430 19.338 ( -1.656 -7.681 -4.134) 8.879 19.491 ( 1.438 5.830 -1.401) 6.166 19.673 ( -0.729 5.035 -2.712) 5.765 19.805 ( 2.911 0.902 -0.148) 3.051 19.856 ( 0.719 -0.113 0.477) 0.870 20.307 ( -7.531 -4.975 1.653) 9.176 20.535 ( -5.646 -1.689 -4.709) 7.544 20.626 ( -5.828 0.311 0.423) 5.852 20.757 ( -7.345 -0.556 5.754) 9.346 20.845 ( -1.653 1.581 6.306) 6.708 21.012 ( -7.161 -1.132 2.492) 7.666 21.142 ( -4.451 5.370 1.312) 7.097 21.445 ( -7.807 -2.127 -3.406) 8.779 22.471 ( 1.762 0.606 -0.567) 1.948 22.529 ( 0.732 -0.973 -0.237) 1.240 22.539 ( 3.061 0.135 0.960) 3.211 22.570 ( 2.517 -0.664 -0.125) 2.606 ======================= Grid point 45 (23/54) ======================= q-point: ( 0.43 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 7.337 -0.505 -2.260) 7.693 1.178 ( 2.854 3.430 0.404) 4.480 1.609 ( 9.271 -1.761 -2.041) 9.655 1.712 ( -0.604 -2.100 3.264) 3.928 1.920 ( 5.224 3.897 6.319) 9.078 2.021 ( 5.150 -0.970 5.087) 7.303 2.048 ( -1.891 1.168 -0.671) 2.322 2.077 ( -0.249 6.088 4.699) 7.695 2.121 ( -6.201 3.580 -5.457) 9.003 2.253 ( 5.201 3.334 -0.385) 6.190 2.387 ( 2.507 -3.575 -0.780) 4.435 2.409 ( 2.502 -2.462 -2.317) 4.206 2.505 ( -0.640 -3.790 -1.113) 4.002 2.506 ( 3.405 -2.211 -1.444) 4.309 2.542 ( 1.324 -1.638 -1.990) 2.897 2.576 ( 3.936 -3.194 1.592) 5.313 2.631 ( -1.730 -3.075 0.230) 3.536 2.747 ( -0.343 -3.213 2.476) 4.071 2.816 ( -3.147 0.829 0.566) 3.303 2.872 ( 4.471 0.862 0.186) 4.557 2.941 ( -0.904 1.705 2.461) 3.127 3.063 ( -3.455 -1.107 2.706) 4.526 3.072 ( -2.209 -2.672 -5.586) 6.575 3.171 ( -0.159 0.696 0.107) 0.721 3.216 ( 3.555 -2.680 -0.590) 4.491 3.298 ( -0.476 8.517 1.843) 8.727 3.359 ( -3.794 2.080 1.518) 4.585 3.386 ( -2.795 9.761 -2.079) 10.364 3.460 ( -1.353 4.201 3.620) 5.708 3.505 ( 2.751 2.082 -1.296) 3.686 3.562 ( 0.774 0.115 -4.225) 4.297 3.580 ( 9.914 1.029 4.547) 10.955 3.612 ( 5.299 6.814 2.800) 9.074 3.687 ( -2.946 -0.884 -0.704) 3.155 3.744 ( 9.294 -0.236 2.402) 9.602 3.766 ( 4.988 0.109 -3.136) 5.892 3.864 ( -0.002 -0.311 3.049) 3.065 3.952 ( -4.894 1.604 -6.205) 8.064 3.980 ( 0.210 1.734 1.290) 2.172 3.993 ( 4.061 1.455 -0.343) 4.327 4.086 ( -2.501 3.208 0.495) 4.098 4.130 ( -5.397 4.875 -6.990) 10.087 4.176 ( -0.017 -3.569 -4.203) 5.514 4.294 ( -4.617 -2.591 -0.854) 5.362 4.358 ( -1.729 0.086 4.386) 4.715 4.461 ( 5.029 0.588 -6.542) 8.272 4.492 ( 3.649 1.159 4.273) 5.737 4.569 ( 4.368 -0.781 -0.042) 4.438 4.598 ( 6.105 -0.332 1.744) 6.357 4.670 ( 8.261 2.134 -1.291) 8.630 4.747 ( -3.768 -5.899 3.115) 7.662 4.837 ( -2.838 0.085 1.592) 3.255 4.875 ( 0.199 0.975 -3.689) 3.821 4.950 ( -3.587 0.968 2.166) 4.301 5.037 ( -0.716 4.906 -0.268) 4.965 5.098 ( -1.757 -1.299 -8.164) 8.451 5.218 ( -3.047 2.032 -4.110) 5.505 5.304 ( -0.704 -4.754 0.731) 4.861 5.395 ( -0.358 0.726 4.634) 4.704 5.435 ( -0.909 -4.193 1.133) 4.438 5.530 ( 2.285 1.956 -1.621) 3.417 5.613 ( -6.134 -4.475 -1.603) 7.760 5.696 ( -5.731 -2.382 0.351) 6.216 5.780 ( 0.119 -2.017 3.533) 4.070 5.843 ( 0.718 2.759 -1.265) 3.119 5.905 ( -2.620 -2.355 0.109) 3.524 5.920 ( 0.169 -0.833 0.680) 1.088 5.946 ( -0.172 -0.404 2.022) 2.070 6.037 ( -4.654 0.668 4.821) 6.734 6.287 ( -0.590 -1.028 -0.552) 1.307 6.306 ( -3.476 -2.952 1.027) 4.674 6.472 ( -2.220 -1.810 -2.829) 4.026 6.553 ( -1.070 3.726 3.053) 4.934 6.647 ( 2.250 0.806 0.906) 2.557 6.712 ( 0.680 -2.893 -1.126) 3.178 6.742 ( 1.153 -1.813 -1.060) 2.396 6.895 ( 0.500 1.333 -0.067) 1.426 6.957 ( 1.190 -0.733 1.488) 2.042 7.015 ( -3.953 1.847 -0.570) 4.400 7.063 ( -0.018 2.748 1.251) 3.019 7.242 ( 2.185 3.132 0.205) 3.825 7.332 ( -2.753 2.352 -0.519) 3.658 7.479 ( -2.936 1.961 4.685) 5.867 7.648 ( -1.759 -1.450 1.424) 2.688 7.819 ( -0.204 -4.169 2.534) 4.883 7.943 ( 1.538 -1.725 1.286) 2.644 8.042 ( 2.586 1.148 -3.538) 4.530 8.111 ( 2.201 -5.144 0.098) 5.596 8.165 ( -0.615 3.872 0.812) 4.003 8.338 ( 2.353 4.783 -2.314) 5.811 8.374 ( 5.520 0.879 -0.379) 5.603 8.384 ( 0.679 1.823 -1.480) 2.444 8.641 ( -0.002 0.876 1.807) 2.008 8.708 ( -3.631 -1.305 2.558) 4.630 8.871 ( -2.651 1.584 2.112) 3.741 8.985 ( 1.299 -0.063 1.638) 2.091 9.077 ( 1.492 1.899 1.053) 2.634 9.094 ( 0.791 1.791 -2.827) 3.439 9.183 ( 2.069 -0.676 3.873) 4.443 9.232 ( 1.835 3.164 -1.568) 3.979 9.290 ( 2.748 -0.314 -1.274) 3.045 9.384 ( -1.362 2.289 -3.499) 4.397 9.613 ( -2.270 0.173 3.862) 4.483 9.658 ( 1.103 3.750 2.953) 4.899 9.668 ( -1.091 -2.746 -5.837) 6.542 9.697 ( -1.749 -1.370 -1.663) 2.775 9.752 ( -0.378 0.259 3.756) 3.784 9.876 ( 1.067 -7.819 0.955) 7.949 9.973 ( -1.747 2.772 1.005) 3.427 10.015 ( 2.447 0.592 -3.015) 3.928 10.160 ( -0.760 0.416 -4.952) 5.027 10.173 ( -0.267 -0.056 1.115) 1.148 10.257 ( 2.341 4.313 -0.137) 4.909 10.356 ( -2.169 -2.805 2.593) 4.393 10.410 ( 7.236 -1.151 -0.524) 7.346 10.448 ( 0.248 -0.781 -0.270) 0.863 10.523 ( -2.996 -2.291 -1.577) 4.088 10.587 ( -0.307 1.395 -1.412) 2.009 10.617 ( 1.786 -1.168 1.063) 2.384 10.703 ( 3.932 -2.509 2.847) 5.465 10.847 ( -2.182 -0.238 -1.963) 2.944 10.896 ( -1.249 -3.189 0.369) 3.445 11.011 ( 1.648 0.524 2.507) 3.046 11.061 ( -0.431 1.063 -2.405) 2.664 11.157 ( -1.052 -1.466 0.966) 2.047 11.210 ( -5.149 -1.198 0.725) 5.337 11.235 ( 0.452 5.013 -3.055) 5.887 11.474 ( -0.131 -2.672 1.987) 3.333 11.592 ( 1.102 0.570 -2.305) 2.618 11.688 ( -0.854 0.284 -0.582) 1.072 11.756 ( -1.358 3.613 0.553) 3.899 11.848 ( 1.187 0.465 4.621) 4.794 11.993 ( 0.230 7.468 -2.257) 7.805 12.193 ( 2.707 -1.627 -2.337) 3.928 12.273 ( -2.468 -4.524 3.528) 6.245 12.425 ( 0.084 6.054 3.470) 6.978 12.765 ( 5.883 -9.934 -10.705) 15.744 12.978 ( 0.504 3.617 -7.000) 7.896 13.333 ( -0.386 -11.339 5.510) 12.613 13.644 ( 1.233 -10.000 -3.323) 10.609 13.861 ( 2.618 -4.742 -1.922) 5.748 13.956 ( -3.893 -6.888 0.108) 7.913 14.098 ( 0.996 2.404 1.812) 3.171 14.196 ( -2.432 0.254 3.937) 4.634 14.396 ( -0.954 7.673 -0.852) 7.779 14.606 ( 0.093 -1.315 -5.217) 5.381 14.845 ( -2.653 4.046 4.979) 6.943 14.924 ( -0.597 2.231 4.111) 4.715 15.054 ( 0.600 1.951 0.691) 2.155 15.096 ( 0.021 -0.832 -0.643) 1.052 15.348 ( 0.277 3.002 1.427) 3.335 15.500 ( 0.412 0.489 -1.164) 1.328 17.128 ( -0.722 10.496 2.446) 10.802 17.329 ( 0.635 8.634 -1.927) 8.869 17.539 ( 1.644 0.859 0.627) 1.958 17.629 ( 1.364 3.285 -1.812) 3.992 18.226 ( 4.947 -2.452 3.335) 6.450 18.268 ( 13.039 -1.933 -0.583) 13.195 18.509 ( -7.174 -7.230 0.125) 10.187 18.584 ( -6.050 -7.803 1.974) 10.070 18.918 ( 1.387 2.285 0.792) 2.787 19.069 ( 5.751 -2.993 -2.646) 7.002 19.301 ( -0.112 -5.245 -1.157) 5.372 19.320 ( 3.660 -7.660 1.584) 8.637 19.512 ( 2.850 7.353 -5.210) 9.451 19.648 ( 0.919 4.530 -2.684) 5.345 19.817 ( -0.428 -0.709 -1.452) 1.672 19.896 ( 0.922 3.405 0.243) 3.536 20.166 ( -6.409 -3.518 -3.297) 8.020 20.378 ( -6.061 0.934 -6.736) 9.110 20.554 ( -3.350 1.725 4.469) 5.845 20.714 ( -2.100 -1.431 4.054) 4.784 20.855 ( -4.225 1.476 9.087) 10.130 20.913 ( -1.135 0.303 0.944) 1.506 21.091 ( -1.436 2.035 -1.266) 2.794 21.305 ( -3.278 -2.546 -4.148) 5.868 22.504 ( 1.479 0.218 0.414) 1.552 22.539 ( 0.391 -0.665 0.360) 0.851 22.579 ( 0.562 0.148 0.109) 0.592 22.599 ( 0.880 -0.470 -0.562) 1.145 ======================= Grid point 46 (24/54) ======================= q-point: (-0.43 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( 4.216 -2.028 -1.794) 5.011 1.260 ( 3.352 -0.396 2.966) 4.493 1.575 ( -10.368 1.536 -3.781) 11.142 1.648 ( -15.796 2.768 5.772) 17.044 1.740 ( -16.905 8.085 2.375) 18.889 1.870 ( 6.498 0.706 -1.086) 6.626 2.196 ( 3.477 -3.752 5.100) 7.223 2.260 ( 5.755 -2.976 -4.514) 7.896 2.277 ( 2.113 0.998 2.508) 3.428 2.308 ( 5.070 0.264 8.425) 9.836 2.382 ( 2.295 -0.614 -2.741) 3.627 2.443 ( -0.002 -0.898 1.220) 1.515 2.495 ( 2.580 -5.181 1.432) 5.962 2.532 ( 3.596 -0.260 -1.485) 3.899 2.594 ( 3.415 0.865 -0.019) 3.523 2.617 ( -0.886 -1.343 0.177) 1.619 2.716 ( 3.899 -1.257 2.449) 4.773 2.741 ( -1.754 1.629 -2.764) 3.657 2.815 ( 5.004 0.200 3.036) 5.857 2.911 ( -4.054 0.106 -0.476) 4.084 2.956 ( 0.525 0.056 3.959) 3.994 2.972 ( -1.730 -0.092 -6.280) 6.515 3.054 ( -2.398 -1.817 4.310) 5.256 3.112 ( -3.558 0.506 -3.583) 5.075 3.176 ( -13.085 5.811 3.376) 14.709 3.240 ( -1.840 -6.595 -3.447) 7.666 3.314 ( -4.015 3.647 -1.844) 5.729 3.350 ( 0.087 9.229 3.974) 10.049 3.384 ( -10.028 4.377 -0.521) 10.954 3.482 ( -1.431 2.992 -2.266) 4.017 3.505 ( -5.301 6.711 0.889) 8.599 3.552 ( 0.304 -0.418 -0.751) 0.911 3.597 ( -6.957 -1.256 -1.996) 7.346 3.629 ( -1.718 1.446 -0.197) 2.254 3.733 ( -5.647 -2.002 -4.405) 7.436 3.813 ( 3.068 0.038 4.215) 5.214 3.877 ( 1.055 -0.112 -4.060) 4.196 3.927 ( 0.762 3.949 -1.330) 4.236 3.956 ( 2.519 1.529 -7.905) 8.436 4.039 ( 0.302 3.188 -4.845) 5.808 4.080 ( 1.476 4.219 0.320) 4.481 4.131 ( 5.057 -3.440 1.559) 6.312 4.190 ( -2.065 -5.956 7.592) 9.868 4.295 ( -12.854 -2.697 2.556) 13.380 4.336 ( 6.285 1.706 3.705) 7.492 4.479 ( -3.048 0.456 -2.655) 4.068 4.506 ( -1.869 1.885 -5.033) 5.690 4.539 ( 3.829 0.481 -5.479) 6.702 4.700 ( -3.705 -1.302 0.224) 3.933 4.767 ( -0.806 2.475 5.871) 6.422 4.813 ( 7.077 -2.093 -0.086) 7.380 4.868 ( 1.284 -3.810 -1.117) 4.172 4.925 ( 2.256 5.556 -1.209) 6.117 4.933 ( 2.152 1.357 1.868) 3.156 5.000 ( 8.911 2.369 3.191) 9.757 5.093 ( 4.835 4.135 -0.029) 6.362 5.255 ( 6.567 0.720 -4.692) 8.103 5.280 ( -2.619 -2.097 0.420) 3.381 5.345 ( -0.474 -2.186 2.495) 3.351 5.435 ( -4.007 -1.762 0.544) 4.411 5.500 ( 0.371 -2.284 -3.125) 3.889 5.593 ( 0.125 2.569 -1.391) 2.924 5.616 ( 0.184 -4.994 2.582) 5.625 5.794 ( -0.375 -1.891 -1.172) 2.256 5.841 ( -0.200 0.167 -1.953) 1.970 5.896 ( 2.901 0.066 -1.127) 3.113 5.939 ( -1.030 1.625 2.568) 3.209 6.027 ( 3.427 -1.025 3.097) 4.731 6.046 ( 4.500 -0.165 4.186) 6.148 6.269 ( -1.106 -0.440 0.089) 1.194 6.293 ( 3.083 -6.712 0.518) 7.405 6.441 ( 1.498 -4.029 -3.301) 5.420 6.575 ( 0.407 4.195 3.895) 5.739 6.664 ( -0.164 2.416 1.429) 2.812 6.730 ( 1.288 -1.210 -0.402) 1.812 6.761 ( 0.411 -0.566 -1.718) 1.855 6.895 ( -0.299 1.413 2.686) 3.050 6.942 ( -2.360 1.386 -3.052) 4.100 6.980 ( 0.034 -1.400 -0.901) 1.665 7.050 ( -0.292 -1.532 -1.030) 1.869 7.298 ( 1.013 3.500 4.366) 5.687 7.342 ( 3.523 3.542 1.179) 5.133 7.452 ( -3.059 3.556 5.029) 6.877 7.589 ( -4.279 -1.757 -2.203) 5.123 7.854 ( 1.259 -3.555 3.062) 4.858 7.966 ( -0.494 -1.582 1.826) 2.466 8.041 ( -1.945 -2.301 -1.015) 3.180 8.115 ( -0.069 -2.475 -1.047) 2.688 8.146 ( -1.764 4.929 0.259) 5.242 8.333 ( -1.049 0.809 -2.517) 2.844 8.387 ( -0.119 2.012 -0.356) 2.047 8.437 ( 1.879 1.512 -1.425) 2.801 8.682 ( 1.519 1.417 4.027) 4.532 8.729 ( 4.212 -0.191 2.551) 4.928 8.855 ( 0.479 3.140 1.912) 3.708 8.992 ( -1.533 0.546 0.864) 1.842 9.034 ( -4.444 1.640 -0.524) 4.766 9.105 ( -1.436 -0.229 2.317) 2.735 9.201 ( -2.446 -1.214 1.271) 3.012 9.235 ( -0.737 -1.411 -0.665) 1.726 9.311 ( 0.878 3.150 -1.786) 3.726 9.353 ( 0.372 1.475 -1.819) 2.372 9.529 ( -4.759 -1.268 -5.642) 7.489 9.622 ( -2.116 -1.232 -5.227) 5.772 9.656 ( 1.233 -0.801 -0.835) 1.691 9.745 ( 3.736 4.407 4.814) 7.520 9.782 ( 0.655 -0.592 3.321) 3.437 9.920 ( -0.029 -4.991 9.462) 10.697 9.956 ( 0.191 -1.045 -1.343) 1.712 10.021 ( 1.358 1.649 -3.581) 4.170 10.149 ( 1.976 1.442 -2.602) 3.571 10.158 ( -1.451 -1.440 -0.008) 2.044 10.275 ( -1.027 2.649 -0.774) 2.945 10.354 ( 0.921 -2.469 -0.546) 2.691 10.425 ( -3.097 -1.265 0.180) 3.350 10.456 ( -1.480 1.406 -1.736) 2.679 10.536 ( 5.267 0.042 -1.779) 5.560 10.576 ( 0.285 1.330 -2.658) 2.986 10.660 ( 0.982 -3.928 5.000) 6.434 10.745 ( -1.409 -1.428 4.076) 4.543 10.823 ( 0.039 -0.643 -0.412) 0.765 10.871 ( -0.499 -2.207 0.003) 2.262 10.990 ( -3.292 1.150 -0.399) 3.510 11.063 ( -0.484 0.110 -0.062) 0.500 11.162 ( 3.089 -0.562 -1.226) 3.370 11.210 ( -0.158 3.196 -0.903) 3.325 11.226 ( 4.556 -1.019 -0.530) 4.698 11.478 ( 0.052 -3.838 -1.370) 4.075 11.594 ( 0.040 3.248 -1.057) 3.416 11.685 ( 0.435 -0.425 0.533) 0.809 11.746 ( -0.338 1.622 1.514) 2.244 11.873 ( -0.484 0.768 3.705) 3.815 11.997 ( 1.829 9.531 -2.687) 10.070 12.199 ( -1.879 -2.804 -1.145) 3.564 12.236 ( -2.001 -4.631 1.555) 5.279 12.524 ( 5.756 5.638 7.234) 10.829 12.801 ( 4.800 -8.860 -9.656) 13.956 12.932 ( 0.800 4.567 -9.813) 10.853 13.349 ( -2.653 -12.320 6.725) 14.285 13.628 ( -0.117 -14.534 -5.571) 15.565 13.854 ( -4.204 -2.870 -1.470) 5.298 13.878 ( -0.964 -2.856 -0.329) 3.032 14.160 ( 3.105 2.460 3.664) 5.396 14.205 ( 1.040 -0.249 2.904) 3.094 14.374 ( -0.191 5.762 -2.787) 6.403 14.578 ( 0.029 -3.234 -3.867) 5.041 14.817 ( -3.527 4.898 4.439) 7.493 14.943 ( -0.293 2.562 4.287) 5.003 15.054 ( -0.867 2.132 0.728) 2.414 15.088 ( -0.413 -1.571 -0.836) 1.827 15.343 ( -1.732 3.426 1.271) 4.043 15.498 ( 0.147 0.241 -1.302) 1.332 17.148 ( 0.771 9.646 3.042) 10.143 17.346 ( 2.331 7.718 -1.541) 8.208 17.544 ( -1.378 1.565 0.793) 2.231 17.636 ( 0.594 2.810 -1.789) 3.384 18.220 ( -7.302 -0.301 2.856) 7.847 18.338 ( -10.263 -3.605 1.985) 11.057 18.509 ( 10.159 -6.239 -0.014) 11.922 18.549 ( 2.670 -9.675 0.752) 10.065 18.925 ( -1.616 2.476 0.814) 3.067 19.109 ( -0.372 -4.211 -1.088) 4.365 19.305 ( 0.897 -3.498 0.236) 3.619 19.385 ( 1.666 -4.438 2.720) 5.465 19.526 ( 3.836 6.439 -10.095) 12.573 19.680 ( 3.072 1.030 0.211) 3.247 19.775 ( -3.137 -0.851 -1.040) 3.413 19.862 ( -3.669 2.325 -0.750) 4.408 20.063 ( -1.477 2.172 -7.653) 8.091 20.249 ( -3.345 -2.425 -3.517) 5.426 20.567 ( 1.960 4.367 4.269) 6.414 20.712 ( -0.040 -1.459 1.849) 2.355 20.846 ( -0.067 3.139 6.923) 7.602 20.978 ( 4.150 -1.281 3.678) 5.691 21.068 ( 0.282 2.258 -2.389) 3.300 21.305 ( 5.736 -2.759 -3.971) 7.502 22.520 ( -0.315 0.111 1.199) 1.245 22.547 ( -0.262 -0.663 0.319) 0.782 22.564 ( -1.641 0.312 -0.330) 1.703 22.593 ( -1.019 -0.603 -0.804) 1.431 ======================= Grid point 47 (25/54) ======================= q-point: (-0.29 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( -12.281 7.197 -1.202) 14.285 1.132 ( -20.176 9.080 -0.122) 22.125 1.422 ( 2.483 -1.311 0.350) 2.830 1.464 ( -4.641 7.476 0.991) 8.855 1.604 ( 0.724 1.752 1.517) 2.428 1.992 ( 1.657 0.056 3.759) 4.109 2.067 ( -13.202 -2.511 0.196) 13.441 2.108 ( -12.712 -5.775 -3.398) 14.369 2.227 ( -23.509 9.326 -0.754) 25.302 2.326 ( -4.105 -1.507 -0.259) 4.380 2.388 ( -1.802 -0.726 -3.199) 3.743 2.444 ( -4.224 0.081 -1.579) 4.510 2.504 ( -3.911 -1.125 1.854) 4.472 2.568 ( 8.033 1.438 -3.965) 9.073 2.605 ( 0.841 -0.615 -2.182) 2.418 2.696 ( 0.383 0.367 5.677) 5.702 2.709 ( -3.629 1.402 0.967) 4.009 2.752 ( -0.934 0.573 -0.608) 1.253 2.786 ( 3.491 0.078 0.195) 3.497 2.842 ( 1.055 1.750 0.654) 2.146 2.888 ( -0.963 -0.209 -1.420) 1.729 3.033 ( 3.496 -1.328 4.342) 5.730 3.087 ( -1.484 -2.584 0.802) 3.086 3.093 ( 3.575 -2.568 -0.601) 4.443 3.112 ( 5.024 -1.715 3.483) 6.349 3.196 ( -0.350 4.342 1.073) 4.486 3.262 ( -0.830 1.551 -1.128) 2.090 3.278 ( -3.631 -1.483 0.585) 3.966 3.346 ( -1.094 5.316 1.377) 5.599 3.422 ( -6.077 1.919 -1.519) 6.551 3.448 ( -2.769 4.475 1.721) 5.537 3.496 ( -0.677 0.636 -1.734) 1.967 3.523 ( -5.301 -1.036 0.053) 5.402 3.579 ( -0.707 3.170 0.387) 3.271 3.705 ( 1.449 0.753 -0.705) 1.778 3.767 ( -6.672 -2.212 -3.656) 7.923 3.851 ( -7.002 2.867 -0.689) 7.597 3.894 ( -1.853 -0.919 -1.062) 2.326 3.991 ( 4.583 -0.739 3.413) 5.762 4.000 ( -0.287 0.809 -2.504) 2.647 4.075 ( -0.676 -1.503 -5.033) 5.296 4.111 ( -2.086 3.479 0.738) 4.123 4.178 ( -1.855 -4.137 2.465) 5.160 4.228 ( 2.542 -3.786 1.864) 4.926 4.360 ( -6.558 1.709 2.009) 7.068 4.408 ( -0.296 1.575 -0.121) 1.607 4.504 ( -3.420 1.134 -10.089) 10.713 4.521 ( -4.567 -7.904 -1.475) 9.247 4.598 ( 5.623 -0.726 -5.350) 7.796 4.776 ( -2.407 -5.137 3.602) 6.720 4.807 ( -0.275 -0.096 0.828) 0.877 4.920 ( 2.559 3.535 0.755) 4.429 4.942 ( -2.119 1.282 -0.414) 2.511 4.968 ( -0.959 2.669 5.147) 5.876 5.128 ( 1.711 -1.831 0.138) 2.509 5.227 ( 3.264 -3.650 0.313) 4.906 5.282 ( 1.815 1.977 -0.968) 2.853 5.344 ( 1.031 0.665 -0.040) 1.228 5.403 ( 6.643 -1.613 -1.785) 7.065 5.472 ( 8.683 -0.523 -1.734) 8.869 5.517 ( 3.776 -1.353 2.014) 4.488 5.605 ( 2.782 -3.314 -0.444) 4.349 5.722 ( 7.304 2.453 4.475) 8.910 5.750 ( -0.660 -1.546 -3.257) 3.666 5.859 ( 2.938 2.286 -1.443) 3.992 5.882 ( -1.583 4.381 -0.382) 4.674 6.005 ( 7.039 5.603 -2.504) 9.339 6.102 ( 2.604 0.273 2.278) 3.470 6.148 ( 2.403 -0.980 2.961) 3.937 6.309 ( 5.316 1.411 2.616) 6.091 6.410 ( 7.576 -8.421 2.128) 11.525 6.469 ( 2.804 -4.226 -2.463) 5.638 6.581 ( -1.117 1.603 0.991) 2.191 6.694 ( -1.389 1.332 -1.555) 2.474 6.707 ( 0.289 2.724 0.684) 2.823 6.760 ( 0.719 3.595 -1.072) 3.819 6.883 ( -1.951 -0.986 -1.704) 2.772 6.951 ( 2.805 3.382 6.570) 7.904 6.960 ( 0.348 -1.793 -2.253) 2.900 7.061 ( 0.648 -1.195 1.898) 2.335 7.287 ( -4.720 2.619 4.007) 6.723 7.433 ( 2.621 2.723 0.963) 3.900 7.452 ( -4.461 1.178 -0.612) 4.655 7.472 ( -0.710 3.221 2.012) 3.864 7.857 ( -4.660 -5.145 -0.498) 6.960 7.933 ( -1.166 -0.977 0.632) 1.648 7.998 ( -1.418 -2.603 0.104) 2.966 8.094 ( -2.989 1.365 -2.432) 4.088 8.107 ( -2.156 4.125 1.006) 4.762 8.313 ( 0.718 -3.196 1.842) 3.758 8.351 ( -2.629 1.766 -2.178) 3.844 8.460 ( 2.536 2.085 -1.821) 3.754 8.716 ( 0.164 2.174 1.824) 2.843 8.833 ( 3.627 0.444 -0.676) 3.716 8.895 ( -2.767 -0.322 2.199) 3.549 8.931 ( -2.431 1.126 -1.577) 3.108 8.964 ( -2.158 2.378 2.933) 4.349 9.077 ( -2.402 0.895 1.997) 3.249 9.140 ( -4.695 -2.919 0.247) 5.534 9.229 ( 0.338 -2.046 4.171) 4.658 9.298 ( -0.519 2.312 0.404) 2.403 9.369 ( 2.879 3.107 -3.583) 5.548 9.418 ( -2.072 -0.694 -6.087) 6.467 9.562 ( -0.307 0.178 -4.921) 4.934 9.675 ( -0.114 -1.376 3.673) 3.924 9.808 ( -0.423 -0.996 3.025) 3.213 9.835 ( 2.259 2.992 2.819) 4.691 9.915 ( -2.372 -2.204 2.098) 3.858 9.980 ( -0.508 -0.249 1.630) 1.725 10.072 ( 3.544 -0.919 0.446) 3.688 10.117 ( -2.422 0.548 -0.254) 2.496 10.160 ( 0.126 1.002 -2.224) 2.442 10.210 ( -4.057 1.716 -0.119) 4.407 10.357 ( -1.296 2.949 -3.336) 4.637 10.382 ( -0.024 -5.439 -1.298) 5.592 10.433 ( 0.255 -3.138 0.105) 3.150 10.550 ( -0.713 -1.914 -4.012) 4.502 10.601 ( 3.406 1.226 -0.429) 3.645 10.681 ( 0.293 -5.150 2.185) 5.602 10.793 ( 2.567 -4.539 3.528) 6.296 10.825 ( 0.394 0.853 0.214) 0.964 10.866 ( -1.270 -0.187 1.946) 2.331 10.931 ( -3.308 1.329 0.979) 3.697 11.042 ( -0.946 -0.420 -1.127) 1.530 11.205 ( 0.693 3.798 1.215) 4.047 11.235 ( 5.720 0.877 -5.846) 8.226 11.331 ( 4.928 -2.522 0.124) 5.537 11.445 ( 0.153 -1.993 -7.906) 8.155 11.597 ( -0.337 1.756 3.580) 4.002 11.700 ( 0.830 -1.588 -0.790) 1.958 11.754 ( -0.819 -1.515 2.709) 3.210 11.900 ( 1.306 1.508 3.219) 3.786 12.016 ( 2.219 9.968 -4.655) 11.223 12.122 ( -6.734 -4.885 5.618) 10.038 12.222 ( 0.737 -4.285 -4.571) 6.308 12.682 ( 5.150 5.372 7.465) 10.541 12.805 ( 2.143 -8.818 -10.729) 14.052 12.897 ( 2.908 4.461 -11.064) 12.278 13.290 ( -8.639 -7.131 7.595) 13.534 13.579 ( -0.530 -13.391 -5.800) 14.602 13.797 ( 0.604 -2.780 -4.457) 5.288 13.873 ( -0.854 -3.885 4.923) 6.329 14.214 ( -0.508 1.642 -2.331) 2.896 14.258 ( 3.119 4.580 2.912) 6.260 14.367 ( 1.628 2.190 -0.462) 2.767 14.561 ( 0.006 -6.162 -0.931) 6.232 14.779 ( -3.757 3.213 5.250) 7.211 14.963 ( -0.514 1.710 2.950) 3.448 15.048 ( -0.547 1.784 3.587) 4.044 15.073 ( -0.543 -1.356 -0.471) 1.535 15.308 ( -2.829 4.195 1.776) 5.362 15.489 ( -0.077 -0.479 -1.593) 1.666 17.184 ( 1.352 7.160 1.151) 7.377 17.375 ( 0.884 4.208 -1.088) 4.435 17.511 ( -2.358 3.594 0.743) 4.363 17.620 ( -0.821 1.647 -3.266) 3.749 18.049 ( -11.266 1.332 1.757) 11.479 18.216 ( -3.189 5.328 1.719) 6.443 18.572 ( 2.166 -11.106 0.018) 11.315 18.681 ( 3.900 -5.550 2.418) 7.201 18.871 ( -3.521 0.021 -0.655) 3.581 19.045 ( -5.147 -5.802 -2.977) 8.308 19.325 ( 0.422 -1.502 1.253) 2.001 19.426 ( 1.409 -1.686 0.666) 2.296 19.503 ( 2.355 5.794 -17.459) 18.546 19.717 ( -0.324 -2.381 -5.151) 5.684 19.754 ( 0.129 0.330 11.619) 11.624 19.799 ( -0.904 -0.567 -0.708) 1.281 19.981 ( -1.997 9.584 -3.537) 10.409 20.255 ( 4.638 -5.080 1.431) 7.026 20.669 ( 5.245 2.600 2.679) 6.438 20.738 ( 1.893 -1.535 1.105) 2.676 20.942 ( 4.825 3.577 7.536) 9.637 21.051 ( 1.854 3.599 -0.958) 4.161 21.104 ( 4.433 0.478 1.472) 4.695 21.427 ( 9.204 -2.334 -3.885) 10.259 22.493 ( -3.355 0.144 -0.925) 3.483 22.517 ( -1.467 0.526 1.358) 2.067 22.547 ( -1.364 -1.338 -0.074) 1.913 22.562 ( -1.574 -0.696 -0.155) 1.728 ======================= Grid point 48 (26/54) ======================= q-point: (-0.14 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( -18.930 19.021 -0.819) 26.848 0.866 ( -17.385 16.996 10.762) 26.589 1.437 ( 1.695 0.246 -4.085) 4.430 1.445 ( -8.514 18.253 6.091) 21.042 1.582 ( -15.163 10.735 4.164) 19.039 1.766 ( 9.214 -2.673 6.348) 11.503 1.816 ( -12.063 -5.964 -7.598) 15.453 1.974 ( -4.629 6.334 -3.975) 8.794 2.085 ( -5.116 -2.717 -2.742) 6.409 2.186 ( -4.274 1.419 4.922) 6.671 2.214 ( -9.853 -3.779 -4.670) 11.540 2.387 ( -2.048 -1.345 -7.005) 7.422 2.428 ( -3.439 -1.961 -2.730) 4.809 2.555 ( -0.973 -1.704 -1.780) 2.649 2.592 ( -6.213 -1.102 2.931) 6.957 2.613 ( -3.510 -4.052 -1.277) 5.511 2.696 ( 1.709 0.486 2.734) 3.261 2.806 ( 1.988 -0.652 -1.717) 2.707 2.837 ( -0.086 0.634 -4.507) 4.552 2.863 ( 2.175 3.253 2.318) 4.548 2.959 ( 2.888 3.104 -0.284) 4.250 3.045 ( -1.968 2.122 -1.905) 3.465 3.129 ( 1.908 -1.005 1.448) 2.597 3.145 ( -0.977 2.926 0.702) 3.164 3.184 ( 2.409 -2.033 -2.077) 3.775 3.192 ( -1.179 -0.584 3.936) 4.150 3.210 ( 0.217 -1.235 1.180) 1.721 3.274 ( -0.075 1.512 0.339) 1.551 3.314 ( -5.255 1.466 1.535) 5.668 3.359 ( 0.096 -0.505 -1.500) 1.585 3.397 ( -0.489 3.875 -2.745) 4.773 3.476 ( -0.716 0.352 5.665) 5.721 3.510 ( 3.751 5.454 4.925) 8.251 3.601 ( -0.785 -0.854 3.847) 4.018 3.628 ( -2.329 5.622 1.308) 6.224 3.688 ( -0.888 1.706 -2.333) 3.023 3.791 ( -1.764 -1.825 -3.938) 4.686 3.876 ( -0.654 -5.072 -1.239) 5.262 3.954 ( -2.814 -0.644 -4.272) 5.156 4.013 ( -4.083 -0.595 -4.217) 5.900 4.029 ( -3.415 -5.812 2.375) 7.147 4.099 ( 0.869 -5.279 2.515) 5.912 4.199 ( -3.935 1.640 -3.033) 5.232 4.213 ( 3.905 -0.428 -1.713) 4.285 4.306 ( -2.623 -9.337 7.201) 12.079 4.379 ( -0.983 -0.130 1.180) 1.541 4.428 ( 2.205 1.520 -1.472) 3.056 4.464 ( -0.438 -2.231 -3.066) 3.817 4.643 ( 0.815 -3.438 -4.183) 5.476 4.713 ( -2.827 -8.664 -0.154) 9.115 4.817 ( -2.538 -0.240 1.352) 2.886 4.864 ( -4.157 -3.186 -2.430) 5.774 4.963 ( 2.605 5.833 -1.151) 6.491 5.054 ( 6.851 3.874 8.289) 11.430 5.170 ( 1.044 -5.379 1.807) 5.770 5.243 ( -0.854 -0.035 -0.501) 0.990 5.268 ( 0.289 -3.441 -5.246) 6.280 5.349 ( 0.298 0.844 2.629) 2.777 5.414 ( -0.878 -1.148 -2.766) 3.121 5.589 ( -0.109 -3.158 -2.904) 4.292 5.620 ( 3.916 1.208 -0.280) 4.108 5.661 ( 3.742 -4.342 2.367) 6.202 5.727 ( 3.149 0.874 -2.531) 4.134 5.879 ( 1.874 9.101 -0.379) 9.299 5.909 ( 5.809 0.986 2.726) 6.492 5.968 ( 6.643 2.814 4.794) 8.662 6.108 ( 4.157 3.334 -4.039) 6.686 6.179 ( 0.094 0.501 2.556) 2.606 6.200 ( 10.209 4.306 -4.459) 11.943 6.428 ( 3.262 3.450 -3.225) 5.739 6.489 ( 2.080 -1.040 1.768) 2.921 6.547 ( 4.165 -4.028 -1.706) 6.040 6.575 ( 1.285 -1.359 -0.050) 1.871 6.647 ( -0.565 0.725 0.458) 1.027 6.723 ( -2.862 2.875 -0.350) 4.072 6.758 ( 0.850 1.902 0.306) 2.106 6.850 ( 2.626 -0.195 -2.226) 3.448 6.969 ( -0.377 0.364 5.727) 5.751 7.085 ( 4.893 0.816 7.651) 9.118 7.102 ( 1.007 0.299 6.226) 6.314 7.220 ( -6.643 3.232 0.307) 7.394 7.257 ( -5.965 2.890 -0.757) 6.672 7.486 ( -0.393 0.914 0.420) 1.080 7.538 ( 3.083 5.224 2.842) 6.699 7.748 ( -4.314 -5.213 0.423) 6.780 7.904 ( -3.934 1.899 -0.959) 4.472 7.945 ( -4.568 -5.002 -0.810) 6.822 8.004 ( -5.205 -0.702 -2.066) 5.644 8.091 ( 2.104 2.255 -1.179) 3.302 8.277 ( -1.982 7.135 -2.707) 7.884 8.412 ( 6.306 -5.010 1.298) 8.158 8.504 ( 3.620 1.198 -1.309) 4.031 8.705 ( -2.900 -1.387 -1.794) 3.681 8.760 ( -7.470 1.092 2.221) 7.869 8.825 ( -3.127 -2.351 -4.984) 6.336 8.868 ( -5.146 1.459 -0.325) 5.359 8.967 ( -3.117 2.661 1.118) 4.248 9.042 ( -0.530 -1.728 1.714) 2.491 9.066 ( 0.696 1.875 0.815) 2.160 9.294 ( 2.654 6.713 1.746) 7.427 9.328 ( 0.450 -4.748 0.271) 4.777 9.405 ( 4.735 -2.745 1.658) 5.719 9.450 ( 7.127 0.483 -1.022) 7.216 9.550 ( 1.125 1.867 -0.921) 2.367 9.694 ( -2.055 -0.924 3.303) 3.999 9.768 ( -6.155 -0.976 2.785) 6.826 9.841 ( -0.473 3.595 -0.584) 3.673 9.910 ( -0.794 -4.382 3.792) 5.849 9.952 ( -3.659 -1.308 -0.095) 3.887 10.039 ( -5.401 -1.084 1.405) 5.686 10.081 ( -3.321 -0.170 -0.155) 3.329 10.136 ( -0.531 2.092 -3.413) 4.039 10.175 ( -1.840 4.041 0.997) 4.551 10.301 ( -0.296 -4.357 -3.891) 5.849 10.382 ( 2.396 0.195 -4.643) 5.229 10.461 ( 1.784 -5.772 -1.568) 6.242 10.511 ( -1.487 -4.362 -4.103) 6.170 10.641 ( -1.549 -4.645 -1.391) 5.090 10.694 ( 1.922 -0.510 0.943) 2.201 10.811 ( -4.287 -3.544 -0.788) 5.618 10.843 ( -0.722 -3.816 1.084) 4.033 10.873 ( 4.534 2.207 -0.052) 5.043 10.893 ( -0.912 3.071 3.302) 4.601 11.017 ( -1.466 0.894 0.007) 1.717 11.227 ( -3.455 8.599 -8.604) 12.645 11.239 ( 1.700 -1.053 -2.580) 3.264 11.338 ( 1.496 -1.861 -2.540) 3.486 11.485 ( 5.339 -0.434 -1.379) 5.531 11.611 ( -1.013 1.097 2.733) 3.114 11.695 ( -0.100 -1.712 -1.533) 2.300 11.746 ( -1.849 -4.566 5.391) 7.303 11.959 ( 2.595 -0.126 2.758) 3.789 12.001 ( -1.209 6.799 -4.694) 8.350 12.044 ( -4.920 -0.570 5.421) 7.342 12.203 ( 0.978 -5.846 -5.520) 8.100 12.709 ( -2.371 -6.047 -11.214) 12.959 12.800 ( 1.946 0.490 1.025) 2.253 12.893 ( 3.085 2.109 -8.442) 9.232 13.186 ( -6.221 0.965 7.832) 10.048 13.539 ( 0.008 -4.546 -5.863) 7.420 13.816 ( 2.915 -2.392 -0.674) 3.831 13.891 ( -1.031 -4.809 3.729) 6.172 14.127 ( -4.160 3.460 -3.318) 6.347 14.334 ( 2.358 6.847 3.410) 8.004 14.416 ( 1.869 -1.438 0.467) 2.405 14.572 ( 1.384 -7.685 0.200) 7.811 14.759 ( -2.675 -0.263 8.704) 9.110 14.953 ( -1.229 0.867 0.537) 1.597 15.061 ( -0.655 -1.962 2.402) 3.170 15.097 ( 1.312 -0.674 4.132) 4.387 15.276 ( -2.213 3.553 3.900) 5.721 15.480 ( 0.269 -1.207 -1.368) 1.843 17.210 ( 1.935 4.644 -1.430) 5.231 17.358 ( -1.496 2.564 -0.399) 2.995 17.467 ( -2.337 3.068 -0.942) 3.970 17.576 ( -1.187 0.067 -3.870) 4.048 17.850 ( -10.524 3.956 0.090) 11.244 18.236 ( 5.648 15.161 -9.303) 18.663 18.607 ( 0.730 -6.569 0.863) 6.665 18.706 ( -0.803 -1.843 0.638) 2.109 18.785 ( -7.604 -4.506 -4.328) 9.842 18.931 ( -2.287 -8.424 2.652) 9.123 19.262 ( -5.352 2.335 -15.657) 16.710 19.393 ( 0.286 3.653 -5.027) 6.221 19.480 ( 2.432 2.854 -2.591) 4.558 19.657 ( -2.967 0.345 -2.863) 4.137 19.795 ( 2.410 -1.249 -0.454) 2.752 19.854 ( 1.543 -1.507 1.241) 2.488 20.119 ( 13.805 5.470 23.218) 27.560 20.398 ( 7.722 -6.210 3.152) 10.399 20.738 ( 1.638 -2.400 -0.464) 2.943 20.786 ( 1.057 -1.916 1.960) 2.938 21.053 ( 1.807 4.919 0.045) 5.241 21.108 ( 3.839 6.690 3.560) 8.496 21.194 ( 3.489 -0.368 5.723) 6.713 21.576 ( 9.535 -1.072 -3.807) 10.323 22.429 ( -2.422 0.509 -0.435) 2.513 22.499 ( -1.221 0.180 0.632) 1.387 22.507 ( -2.480 -2.289 -0.245) 3.384 22.535 ( -1.439 -0.542 -0.064) 1.539 ======================= Grid point 49 (27/54) ======================= q-point: ( 0.00 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( -0.211 19.592 -4.326) 20.065 1.055 ( -3.639 17.939 5.524) 19.120 1.284 ( 1.778 -10.188 -8.461) 13.362 1.374 ( -4.427 -9.878 -3.208) 11.290 1.633 ( 6.621 -1.674 -4.327) 8.085 1.734 ( 3.336 -10.991 -4.132) 12.206 1.909 ( -2.697 0.660 3.389) 4.381 1.923 ( -3.433 -1.084 1.819) 4.033 2.111 ( 3.839 11.895 -1.217) 12.559 2.260 ( 1.790 -4.064 -0.199) 4.445 2.275 ( -5.680 6.788 -4.191) 9.793 2.329 ( 2.478 7.635 -3.663) 8.823 2.345 ( 1.257 27.465 9.528) 29.098 2.472 ( -1.484 3.387 3.847) 5.336 2.531 ( -0.848 -0.727 2.992) 3.194 2.623 ( 4.057 1.225 5.895) 7.260 2.684 ( 2.917 -6.398 6.481) 9.562 2.880 ( 2.634 3.257 -2.217) 4.739 2.908 ( -0.789 2.711 -4.332) 5.171 2.925 ( -3.909 0.589 -2.911) 4.909 2.975 ( -2.804 3.950 -3.511) 5.983 3.028 ( -2.756 -0.710 -5.072) 5.816 3.083 ( -0.388 -1.061 2.762) 2.984 3.094 ( -1.780 -2.373 -3.122) 4.306 3.145 ( 3.633 0.714 0.174) 3.707 3.166 ( -3.273 -4.471 -0.620) 5.575 3.216 ( 2.389 -7.269 0.381) 7.661 3.292 ( -0.476 -10.972 2.507) 11.264 3.301 ( -1.310 -2.025 -0.242) 2.424 3.336 ( 3.434 -11.121 1.593) 11.748 3.442 ( 0.897 1.722 2.435) 3.114 3.476 ( -0.666 -3.022 2.846) 4.204 3.548 ( -0.684 2.521 4.571) 5.265 3.589 ( -0.206 0.602 2.115) 2.208 3.655 ( 0.402 5.516 -0.573) 5.560 3.702 ( -0.986 3.860 0.480) 4.013 3.769 ( 0.052 -0.282 -0.604) 0.669 3.800 ( 5.812 -5.202 0.276) 7.805 3.816 ( -4.956 3.223 4.700) 7.553 3.898 ( -0.453 -3.223 0.751) 3.340 4.028 ( 1.033 10.908 -0.939) 10.997 4.067 ( -2.224 2.619 2.119) 4.036 4.130 ( -2.800 -4.371 5.851) 7.821 4.215 ( 0.807 -4.444 -0.480) 4.542 4.306 ( 2.648 4.306 -7.452) 9.005 4.399 ( 0.606 -3.972 2.628) 4.801 4.473 ( 2.317 2.963 0.302) 3.774 4.488 ( 2.506 -5.263 -2.987) 6.550 4.524 ( -0.355 -5.308 -0.395) 5.334 4.572 ( 4.049 -2.953 2.262) 5.499 4.697 ( -1.778 0.477 -6.472) 6.728 4.767 ( -4.106 -2.511 -3.805) 6.135 5.081 ( 0.539 3.259 -0.880) 3.419 5.092 ( -1.321 3.239 -1.828) 3.946 5.138 ( 2.857 -3.336 -1.914) 4.791 5.161 ( 0.557 -5.027 -3.094) 5.930 5.267 ( -3.770 2.009 1.626) 4.571 5.324 ( -1.431 -4.824 -0.954) 5.121 5.394 ( 0.908 1.022 -3.253) 3.528 5.465 ( 0.214 -5.363 -7.076) 8.881 5.608 ( 0.354 1.708 3.431) 3.849 5.666 ( -0.132 -3.483 3.128) 4.683 5.865 ( 1.548 3.693 -0.081) 4.005 5.940 ( -0.197 -3.046 -0.695) 3.131 6.041 ( -1.430 4.087 0.614) 4.374 6.095 ( -3.103 3.401 1.105) 4.734 6.135 ( 2.455 0.826 1.927) 3.229 6.182 ( 0.675 0.669 -1.979) 2.196 6.412 ( 1.348 4.901 -2.025) 5.471 6.460 ( -1.556 2.068 -2.374) 3.512 6.527 ( -1.900 -0.588 -5.806) 6.137 6.572 ( -2.318 -1.201 -4.667) 5.347 6.585 ( 1.928 0.169 0.032) 1.936 6.610 ( 2.452 -1.007 1.416) 3.005 6.683 ( 2.597 -0.565 -3.239) 4.190 6.689 ( -1.401 -1.586 -4.318) 4.809 6.962 ( -6.361 1.997 2.180) 7.014 7.004 ( -3.284 -1.563 5.054) 6.227 7.130 ( 2.276 2.510 5.312) 6.300 7.178 ( 2.283 -2.292 4.866) 5.843 7.203 ( -1.666 2.579 10.028) 10.488 7.230 ( -1.309 -0.781 11.230) 11.333 7.585 ( 3.971 4.857 0.774) 6.321 7.649 ( 1.800 -2.411 -0.361) 3.030 7.719 ( 1.801 6.016 -2.162) 6.641 7.812 ( -2.863 -3.429 -2.275) 5.013 7.853 ( 0.869 0.979 4.015) 4.223 7.893 ( -0.631 -2.955 1.000) 3.183 8.197 ( -0.185 5.453 -1.105) 5.566 8.291 ( -3.984 -2.021 -3.737) 5.824 8.445 ( -0.594 1.604 -2.057) 2.676 8.515 ( -2.405 -5.299 -4.227) 7.193 8.612 ( 3.388 1.630 1.395) 4.010 8.658 ( 2.423 -2.892 2.152) 4.343 8.775 ( 0.750 2.844 -2.682) 3.980 8.802 ( -0.417 0.221 -5.541) 5.561 9.002 ( 0.285 5.088 -0.940) 5.182 9.102 ( 4.156 -4.720 -3.528) 7.211 9.111 ( -1.609 1.819 3.723) 4.445 9.159 ( -3.253 -3.381 2.820) 5.474 9.406 ( -2.124 1.917 6.111) 6.748 9.447 ( -1.353 -3.277 9.316) 9.967 9.551 ( 0.037 2.468 0.443) 2.507 9.583 ( -0.037 0.028 1.067) 1.068 9.669 ( -1.348 2.456 0.181) 2.807 9.697 ( -5.231 -0.612 1.602) 5.505 9.815 ( 1.679 1.231 4.339) 4.813 9.839 ( -1.377 -2.795 4.901) 5.808 9.957 ( 3.715 2.572 -2.511) 5.169 9.995 ( 2.788 -0.331 -3.006) 4.113 10.128 ( 2.136 1.171 -5.877) 6.362 10.138 ( -1.218 4.805 -0.011) 4.957 10.172 ( -2.840 1.643 -3.296) 4.650 10.234 ( 1.022 -5.322 -2.703) 6.056 10.337 ( -0.564 -3.810 -2.136) 4.404 10.345 ( 0.910 -3.650 -2.745) 4.657 10.516 ( 0.833 5.055 0.327) 5.134 10.548 ( 0.123 3.864 -5.888) 7.044 10.643 ( -0.486 -5.429 -5.578) 7.799 10.671 ( -1.218 -8.668 -0.056) 8.754 10.868 ( 0.293 2.300 8.288) 8.606 10.904 ( -1.694 -0.665 4.981) 5.303 10.978 ( 0.450 1.666 -1.179) 2.090 11.009 ( 0.684 -1.665 -0.508) 1.871 11.208 ( 2.575 4.243 -6.345) 8.056 11.278 ( 3.381 -3.204 -2.080) 5.102 11.479 ( 1.110 7.061 1.474) 7.298 11.537 ( -2.157 2.887 0.465) 3.634 11.636 ( -0.827 1.172 0.432) 1.498 11.650 ( -1.564 -1.139 3.231) 3.766 11.740 ( 4.022 -1.697 2.375) 4.970 11.810 ( -5.859 -6.521 3.552) 9.459 11.984 ( -1.221 2.365 -2.481) 3.639 12.069 ( 1.668 -7.021 -2.329) 7.583 12.245 ( 2.241 11.645 -6.430) 13.490 12.440 ( 1.502 -9.683 -11.744) 15.295 12.845 ( -1.811 3.692 -0.424) 4.134 12.905 ( 1.070 -1.899 -2.400) 3.242 13.284 ( -0.587 8.678 3.674) 9.442 13.453 ( 0.906 -8.413 -0.491) 8.476 13.845 ( 0.060 -0.101 3.887) 3.889 13.867 ( 1.249 -1.828 2.687) 3.481 14.141 ( -0.658 5.887 -4.466) 7.418 14.271 ( -1.376 -7.807 -5.348) 9.563 14.514 ( 1.234 5.602 4.255) 7.142 14.575 ( 2.094 -1.568 4.245) 4.986 14.798 ( -1.176 3.518 7.542) 8.404 14.893 ( -0.956 -5.659 4.009) 7.001 15.058 ( -1.477 0.825 3.316) 3.723 15.072 ( -1.579 -0.487 0.924) 1.893 15.357 ( 0.253 5.348 0.278) 5.361 15.441 ( 0.839 -3.626 -0.593) 3.768 17.345 ( 2.142 4.886 -0.333) 5.345 17.393 ( -0.152 4.245 -1.394) 4.471 17.426 ( -0.060 -3.166 -0.247) 3.177 17.478 ( 0.169 -4.396 -1.514) 4.653 18.010 ( -0.200 19.201 1.889) 19.294 18.302 ( -1.124 -6.638 -7.255) 9.898 18.580 ( -2.099 -1.340 0.206) 2.499 18.587 ( -0.769 -2.912 0.451) 3.045 18.718 ( 0.711 0.665 2.196) 2.403 18.773 ( 2.764 -7.865 6.350) 10.479 19.215 ( -2.914 10.023 -15.970) 19.078 19.364 ( -1.651 -5.575 -8.547) 10.337 19.552 ( 1.150 3.545 -1.512) 4.022 19.604 ( 1.732 -1.322 -3.276) 3.935 19.810 ( 1.356 -0.133 -0.949) 1.661 19.830 ( 0.212 -1.940 -0.868) 2.135 20.392 ( 0.673 -1.534 8.745) 8.904 20.417 ( 2.266 -4.976 10.216) 11.587 20.732 ( 1.208 0.077 0.279) 1.242 20.753 ( -0.044 -2.004 0.477) 2.060 21.127 ( -3.118 3.666 -0.276) 4.821 21.167 ( -2.768 -0.166 -1.190) 3.017 21.387 ( 1.344 9.580 3.047) 10.143 21.567 ( 1.826 -9.031 -2.147) 9.461 22.430 ( 0.743 0.917 0.672) 1.358 22.448 ( 0.314 -0.980 0.602) 1.192 22.490 ( -0.730 0.687 -0.509) 1.124 22.504 ( -0.439 -0.804 -0.462) 1.025 ======================= Grid point 50 (28/54) ======================= q-point: ( 0.14 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( 4.333 12.575 -4.704) 14.108 1.145 ( 5.349 -3.659 4.399) 7.832 1.291 ( 7.172 7.630 -2.001) 10.662 1.415 ( 7.759 -1.200 -4.766) 9.184 1.736 ( 5.782 -5.716 -8.225) 11.565 1.753 ( 9.810 -5.469 -7.669) 13.600 1.952 ( 1.992 -0.106 7.187) 7.459 1.961 ( -0.216 -0.424 8.073) 8.087 2.162 ( 2.522 3.254 -7.140) 8.242 2.210 ( 4.776 9.899 -2.152) 11.200 2.241 ( 1.113 -2.248 -5.637) 6.169 2.383 ( 3.024 -2.847 -1.089) 4.294 2.507 ( 2.877 5.588 2.346) 6.709 2.538 ( 6.515 20.541 5.906) 22.344 2.569 ( 2.311 -2.210 0.517) 3.239 2.669 ( -2.005 1.396 -0.032) 2.443 2.769 ( -3.198 -3.313 3.241) 5.631 2.779 ( -4.045 3.269 -0.643) 5.240 2.819 ( -6.511 -0.055 -1.967) 6.801 2.869 ( -2.430 -2.660 1.650) 3.963 2.911 ( -3.401 5.219 -0.484) 6.248 2.969 ( -2.243 0.100 -3.290) 3.983 3.064 ( 6.928 2.551 3.958) 8.376 3.107 ( -1.492 -3.902 -0.314) 4.189 3.149 ( 5.391 1.176 -1.245) 5.656 3.203 ( -1.203 1.463 1.395) 2.353 3.234 ( -1.404 -2.995 -0.230) 3.316 3.307 ( 5.414 0.897 -1.526) 5.696 3.347 ( 5.470 -4.394 4.312) 8.235 3.437 ( 5.341 -6.571 -1.151) 8.546 3.497 ( 1.908 0.440 2.477) 3.158 3.552 ( -0.647 3.468 3.327) 4.849 3.582 ( 8.506 -12.430 8.671) 17.379 3.612 ( 1.172 -3.758 1.447) 4.194 3.669 ( -2.263 3.069 -0.416) 3.836 3.689 ( 0.943 10.791 0.009) 10.832 3.705 ( -1.024 1.318 -0.833) 1.866 3.808 ( 2.779 -0.458 0.295) 2.832 3.927 ( 2.590 -2.016 3.366) 4.701 3.958 ( 6.695 -3.931 4.776) 9.116 4.080 ( -0.208 0.070 3.370) 3.377 4.090 ( 6.626 6.784 -5.989) 11.216 4.152 ( 1.826 -3.735 4.212) 5.918 4.198 ( -0.678 1.742 -3.075) 3.598 4.295 ( 0.722 4.002 -4.674) 6.195 4.412 ( -2.455 -0.611 3.921) 4.666 4.490 ( 1.040 -8.696 -4.496) 9.844 4.497 ( 0.439 -1.954 1.565) 2.542 4.541 ( 3.142 0.285 -3.608) 4.793 4.619 ( -0.650 4.162 -8.887) 9.834 4.677 ( 2.172 -7.910 3.599) 8.958 4.700 ( 0.792 -2.944 -4.392) 5.347 5.057 ( -0.920 -0.355 -7.196) 7.264 5.094 ( -2.596 -3.208 -6.950) 8.083 5.123 ( 1.725 3.918 2.028) 4.737 5.178 ( 0.300 -2.095 -1.715) 2.724 5.194 ( -2.602 2.479 0.527) 3.633 5.294 ( -0.336 -7.337 3.080) 7.964 5.366 ( -0.678 0.691 -3.354) 3.491 5.436 ( 1.637 -4.982 -6.108) 8.051 5.608 ( -4.278 3.912 6.180) 8.473 5.670 ( -1.226 -1.595 1.802) 2.701 5.833 ( -4.077 -0.793 -0.354) 4.169 5.862 ( -6.301 -3.005 -2.576) 7.441 5.997 ( -3.820 3.967 2.714) 6.140 6.022 ( -5.666 1.652 2.299) 6.335 6.142 ( -4.065 3.923 -1.328) 5.803 6.181 ( -1.378 -0.151 0.021) 1.386 6.342 ( -6.819 4.676 -0.625) 8.292 6.404 ( -2.754 5.607 -1.004) 6.327 6.414 ( -5.859 -2.998 0.588) 6.608 6.469 ( -2.884 -1.796 -1.443) 3.691 6.578 ( -1.195 0.440 -2.039) 2.404 6.615 ( -0.915 -3.555 -1.732) 4.059 6.709 ( 4.110 3.242 -4.152) 6.681 6.769 ( 2.905 -2.048 -0.517) 3.591 6.853 ( -3.007 2.026 2.364) 4.328 6.910 ( -5.134 -4.020 1.780) 6.759 7.182 ( -3.523 4.460 8.781) 10.460 7.203 ( -1.947 2.441 7.934) 8.526 7.275 ( 1.515 4.031 4.644) 6.333 7.344 ( 4.485 -4.023 2.363) 6.471 7.620 ( -2.561 3.920 2.294) 5.214 7.655 ( -5.379 4.007 0.176) 6.710 7.727 ( 5.419 -2.824 0.539) 6.134 7.775 ( 1.426 -5.237 -2.925) 6.166 7.965 ( 5.746 2.749 0.391) 6.381 8.005 ( 8.931 -1.423 1.550) 9.176 8.134 ( -2.664 1.813 -0.816) 3.324 8.173 ( -3.355 -1.580 -2.258) 4.342 8.379 ( -0.924 3.768 -4.002) 5.573 8.432 ( -1.652 -1.520 -3.844) 4.452 8.749 ( 4.457 1.154 0.684) 4.655 8.773 ( 4.235 -0.124 -1.710) 4.569 8.850 ( 6.124 1.828 1.110) 6.487 8.865 ( 10.163 -1.049 -0.682) 10.240 8.959 ( -0.417 0.943 -2.768) 2.954 9.005 ( -7.047 -3.286 -2.612) 8.203 9.107 ( -1.768 3.789 4.167) 5.903 9.191 ( 0.542 -3.316 -0.320) 3.375 9.379 ( -3.127 4.519 4.345) 7.006 9.448 ( -2.705 -2.113 8.859) 9.501 9.587 ( 2.820 -0.933 -0.898) 3.103 9.594 ( 3.124 0.795 0.875) 3.340 9.650 ( -0.992 1.424 2.404) 2.965 9.695 ( -0.693 -1.976 4.253) 4.741 9.815 ( -2.916 0.861 0.522) 3.085 9.848 ( -2.290 -1.169 2.156) 3.355 10.006 ( 1.492 4.663 -3.276) 5.891 10.064 ( 6.251 4.399 -4.062) 8.656 10.110 ( 0.842 -2.894 -1.147) 3.225 10.127 ( 2.138 -0.914 -5.074) 5.581 10.190 ( 2.462 -0.164 2.467) 3.489 10.245 ( 1.731 -5.620 -3.420) 6.803 10.309 ( 0.928 0.363 -0.445) 1.091 10.364 ( 4.009 -4.506 -2.432) 6.503 10.506 ( -0.095 3.498 -5.276) 6.331 10.515 ( -2.115 4.966 2.305) 5.869 10.597 ( -1.012 -4.923 -5.826) 7.694 10.666 ( -0.389 -8.401 -0.809) 8.449 10.871 ( -1.935 1.970 1.338) 3.069 10.895 ( -2.376 -0.557 6.310) 6.765 10.989 ( 0.869 1.719 -0.402) 1.967 11.040 ( 1.756 -3.273 -0.301) 3.727 11.237 ( 4.142 5.437 -4.946) 8.437 11.327 ( 2.421 -4.087 -3.855) 6.117 11.435 ( -6.505 5.083 2.288) 8.567 11.467 ( -4.584 3.492 2.970) 6.483 11.621 ( -1.534 -0.764 -0.227) 1.729 11.672 ( 0.481 -4.546 2.865) 5.395 11.736 ( -0.309 2.646 1.908) 3.277 11.825 ( 0.347 -6.770 2.880) 7.365 11.970 ( 2.551 5.909 -1.719) 6.661 12.100 ( 2.059 -7.168 -0.820) 7.503 12.259 ( 3.319 9.259 -5.967) 11.505 12.428 ( 4.821 -8.769 -11.148) 14.981 12.782 ( -4.126 6.618 -1.837) 8.012 12.911 ( 0.970 -5.554 -2.336) 6.103 13.300 ( -0.734 7.883 4.575) 9.144 13.463 ( 0.643 -8.510 0.449) 8.546 13.822 ( -3.505 0.168 1.956) 4.017 13.869 ( -2.480 -4.140 3.133) 5.754 14.138 ( 1.896 4.284 -3.358) 5.764 14.232 ( -0.279 -5.482 -3.203) 6.355 14.547 ( -0.154 6.210 3.361) 7.063 14.619 ( 0.399 -1.730 2.777) 3.296 14.838 ( 0.508 2.524 5.661) 6.220 14.905 ( -0.511 -4.107 3.442) 5.383 15.048 ( -0.826 1.585 1.942) 2.639 15.067 ( -0.170 -0.610 2.359) 2.442 15.374 ( 1.287 5.311 0.126) 5.466 15.458 ( 1.254 -3.571 -0.718) 3.853 17.342 ( -0.400 5.369 -1.344) 5.550 17.411 ( 1.479 -0.184 0.215) 1.506 17.455 ( 3.976 3.242 -1.793) 5.435 17.547 ( 5.782 -4.438 -0.501) 7.306 18.040 ( 1.929 15.193 2.620) 15.538 18.214 ( -2.443 2.887 -6.494) 7.515 18.507 ( -4.884 -3.180 1.764) 6.090 18.575 ( -1.587 -5.681 0.515) 5.921 18.783 ( 4.974 3.389 1.142) 6.126 18.902 ( 5.248 -10.557 4.076) 12.474 19.103 ( 0.899 7.984 -10.786) 13.450 19.261 ( -2.210 -8.807 -9.240) 12.954 19.575 ( 2.277 5.600 -0.833) 6.102 19.654 ( 4.543 -2.172 -1.351) 5.214 19.808 ( -0.768 0.342 -1.047) 1.342 19.824 ( 0.194 -1.519 -1.170) 1.927 20.380 ( -5.306 1.440 6.877) 8.805 20.464 ( -3.071 -7.447 8.332) 11.589 20.729 ( -2.644 0.213 -0.602) 2.720 20.754 ( -1.118 -2.620 1.402) 3.175 21.025 ( -6.635 4.919 -0.278) 8.264 21.083 ( -5.356 -1.496 0.064) 5.561 21.369 ( -4.745 8.582 1.828) 9.975 21.518 ( -5.304 -6.950 -1.717) 8.910 22.468 ( 1.539 0.777 -0.131) 1.729 22.478 ( 2.589 0.362 0.267) 2.628 22.492 ( 1.525 -0.374 0.276) 1.595 22.505 ( 1.437 -1.121 -0.268) 1.842 ======================= Grid point 51 (29/54) ======================= q-point: ( 0.29 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( 5.373 8.764 -4.058) 11.052 1.229 ( -0.609 -9.791 -0.103) 9.810 1.424 ( 10.599 9.897 -4.250) 15.112 1.564 ( 7.133 -0.900 0.489) 7.206 1.810 ( 8.046 1.793 -0.128) 8.244 1.917 ( -0.123 -4.593 6.256) 7.762 2.019 ( 14.175 0.891 -3.091) 14.536 2.053 ( 4.413 0.784 3.314) 5.574 2.222 ( 2.988 4.252 -0.758) 5.252 2.266 ( 7.129 -2.388 -6.744) 10.100 2.324 ( 5.807 1.180 -1.578) 6.133 2.383 ( -0.027 -3.234 -4.037) 5.172 2.427 ( -9.499 1.442 -1.926) 9.799 2.474 ( -9.025 -1.262 -1.981) 9.326 2.570 ( -2.083 3.996 -2.122) 4.981 2.657 ( -5.535 0.902 -4.368) 7.109 2.677 ( -4.867 -1.639 -2.063) 5.534 2.709 ( -5.672 -1.953 -3.129) 6.766 2.773 ( 4.598 0.368 3.393) 5.727 2.792 ( 3.416 -2.339 2.907) 5.059 2.989 ( 2.903 3.426 1.826) 4.847 3.033 ( 6.283 0.336 3.997) 7.454 3.122 ( 1.528 1.054 0.921) 2.072 3.137 ( -1.035 -0.457 0.359) 1.187 3.153 ( -4.796 0.395 1.056) 4.927 3.253 ( 6.321 -7.688 4.218) 10.810 3.357 ( 10.580 8.500 5.632) 14.693 3.395 ( 5.584 3.466 2.747) 7.123 3.486 ( -0.676 0.411 0.501) 0.936 3.514 ( 3.954 -2.622 -0.993) 4.847 3.537 ( -0.437 4.067 0.724) 4.154 3.577 ( 1.351 1.468 0.464) 2.049 3.648 ( 7.320 8.142 7.832) 13.462 3.657 ( 3.213 3.937 0.553) 5.112 3.680 ( 4.107 2.130 -3.425) 5.756 3.722 ( 2.382 4.926 -0.066) 5.472 3.861 ( 5.290 -6.141 -0.217) 8.109 3.883 ( 3.152 -1.698 2.540) 4.390 3.999 ( 2.314 -1.114 0.887) 2.717 4.050 ( -2.972 -3.944 0.443) 4.958 4.097 ( 3.112 -0.692 4.388) 5.424 4.135 ( 6.147 -5.438 9.116) 12.266 4.186 ( 1.706 9.009 -1.929) 9.370 4.289 ( 3.757 0.251 -4.747) 6.059 4.295 ( 6.755 0.307 -5.311) 8.599 4.384 ( -2.463 4.043 2.960) 5.583 4.434 ( -4.818 -10.717 -3.853) 12.366 4.497 ( -0.975 -0.176 -1.624) 1.902 4.586 ( 2.930 -0.098 -8.604) 9.089 4.597 ( 6.743 5.305 -1.801) 8.767 4.676 ( 2.629 -2.761 -1.005) 3.943 4.758 ( 1.964 -10.006 -1.839) 10.361 4.922 ( -4.082 -0.330 -9.999) 10.805 4.993 ( -0.687 -4.353 -7.381) 8.596 5.121 ( -4.823 -1.583 -0.946) 5.163 5.129 ( -3.084 -1.054 -0.148) 3.262 5.260 ( 5.725 5.904 5.454) 9.868 5.341 ( -0.500 6.136 -1.561) 6.351 5.357 ( 1.600 -4.489 2.607) 5.432 5.438 ( -1.690 -1.742 -0.482) 2.474 5.543 ( -2.254 3.101 0.923) 3.943 5.639 ( -3.224 -2.452 1.213) 4.228 5.719 ( -6.184 -3.013 0.703) 6.915 5.747 ( -4.581 -3.481 -0.593) 5.784 5.936 ( -5.270 1.385 3.151) 6.295 5.941 ( -4.347 0.720 3.918) 5.896 6.002 ( -8.237 3.401 -2.140) 9.165 6.055 ( -9.012 -1.558 -2.506) 9.483 6.201 ( -8.203 5.080 1.365) 9.745 6.294 ( -7.433 -4.922 1.765) 9.088 6.389 ( -1.858 5.001 2.399) 5.849 6.452 ( -0.142 -2.027 0.548) 2.105 6.586 ( 3.396 0.511 -2.325) 4.148 6.608 ( 0.937 -1.767 -0.162) 2.006 6.686 ( -1.500 0.037 -3.348) 3.669 6.716 ( -3.417 -2.354 -1.369) 4.369 6.895 ( 2.691 2.155 2.071) 4.022 6.926 ( 1.852 -1.022 2.891) 3.582 7.136 ( -5.250 4.122 3.914) 7.738 7.164 ( -6.161 1.360 4.183) 7.570 7.300 ( 0.735 4.775 -1.742) 5.136 7.376 ( 0.001 -3.297 -2.568) 4.179 7.568 ( -4.410 3.513 3.570) 6.674 7.609 ( -0.903 -0.570 4.135) 4.271 7.776 ( -0.379 -1.243 0.331) 1.341 7.825 ( 3.492 -5.164 1.170) 6.342 7.999 ( 1.546 2.410 -0.209) 2.871 8.048 ( -0.473 -2.381 -1.847) 3.050 8.202 ( 5.579 3.361 1.253) 6.632 8.246 ( 7.481 -1.275 0.036) 7.589 8.381 ( 2.630 3.423 -2.692) 5.088 8.413 ( 1.487 0.158 -2.757) 3.137 8.715 ( -4.227 2.580 -2.743) 5.661 8.755 ( -5.010 -2.065 -2.169) 5.837 8.899 ( 0.339 0.708 2.536) 2.655 8.924 ( 1.962 -1.271 0.266) 2.353 9.061 ( 7.911 1.481 2.185) 8.339 9.071 ( 5.718 2.302 1.354) 6.311 9.127 ( 2.267 0.802 1.599) 2.888 9.177 ( -0.184 -3.029 1.219) 3.270 9.355 ( -0.776 6.652 -0.588) 6.723 9.456 ( -0.547 -2.744 -0.098) 2.799 9.616 ( -0.436 1.150 2.065) 2.404 9.642 ( 0.757 -1.380 0.408) 1.626 9.671 ( 0.229 3.319 3.051) 4.514 9.724 ( -0.936 0.740 6.383) 6.493 9.757 ( -1.948 -1.232 -1.272) 2.633 9.782 ( -2.303 -4.874 -1.584) 5.619 9.980 ( -0.292 4.595 -2.999) 5.495 10.105 ( 1.817 -2.984 -4.944) 6.054 10.122 ( -0.125 1.431 -4.109) 4.353 10.192 ( 0.570 1.193 1.526) 2.019 10.220 ( 4.449 -2.162 -0.324) 4.958 10.251 ( 3.995 -4.263 0.035) 5.843 10.403 ( 2.119 2.802 1.608) 3.864 10.457 ( 1.206 2.649 -1.985) 3.523 10.471 ( 3.368 -2.668 2.193) 4.824 10.526 ( 1.358 0.093 -4.581) 4.779 10.534 ( 2.269 -1.622 -1.139) 3.013 10.628 ( -1.316 -5.292 -2.193) 5.877 10.858 ( -0.830 -0.092 -0.175) 0.853 10.881 ( -1.894 -1.879 1.145) 2.903 11.000 ( 0.489 2.733 1.187) 3.020 11.059 ( 0.948 -3.003 -0.143) 3.152 11.244 ( -5.879 3.264 -1.412) 6.871 11.279 ( 0.339 1.627 -3.622) 3.985 11.359 ( -6.088 1.601 1.861) 6.565 11.411 ( -0.051 -3.109 1.575) 3.485 11.612 ( 0.427 3.178 0.516) 3.247 11.687 ( -0.427 -3.503 2.012) 4.062 11.785 ( 2.625 1.840 2.256) 3.921 11.824 ( -0.227 -1.496 0.093) 1.517 12.034 ( 3.626 3.316 0.378) 4.928 12.133 ( 1.256 -5.145 2.098) 5.697 12.278 ( 2.541 8.254 -5.778) 10.391 12.460 ( 5.559 -9.596 -9.702) 14.735 12.687 ( -4.489 9.553 -0.853) 10.589 12.907 ( 0.152 -11.263 -1.709) 11.393 13.296 ( -2.767 6.919 3.034) 8.045 13.469 ( -0.591 -10.232 -0.830) 10.283 13.790 ( 0.116 0.950 0.602) 1.131 13.853 ( -0.567 -5.554 2.006) 5.933 14.139 ( -0.466 3.076 -0.716) 3.193 14.202 ( -1.972 -3.418 0.068) 3.947 14.549 ( -1.155 6.174 0.994) 6.359 14.624 ( -0.673 -1.767 -0.807) 2.057 14.880 ( 0.693 2.171 3.960) 4.569 14.920 ( -0.003 -1.709 3.206) 3.633 15.062 ( 0.743 1.717 1.572) 2.444 15.084 ( 0.173 -0.659 2.038) 2.149 15.400 ( 1.468 4.811 -0.235) 5.036 15.475 ( 1.170 -2.920 -1.060) 3.319 17.339 ( 0.633 9.177 -0.391) 9.207 17.461 ( 3.461 -3.541 0.090) 4.952 17.503 ( 2.022 8.639 -1.296) 8.967 17.629 ( 3.041 -3.696 -0.977) 4.885 18.113 ( 4.256 7.299 1.976) 8.677 18.170 ( 1.435 5.182 -2.738) 6.034 18.435 ( -3.900 -5.717 1.366) 7.054 18.522 ( -4.940 -10.121 0.777) 11.289 18.899 ( 6.503 3.265 -0.179) 7.279 18.975 ( 1.968 -4.177 -0.727) 4.674 19.121 ( 5.377 0.716 -3.245) 6.321 19.202 ( 0.485 -6.731 -3.920) 7.804 19.617 ( 3.211 7.131 -3.054) 8.395 19.710 ( 1.960 -1.528 -4.369) 5.026 19.808 ( 1.285 -0.115 -0.010) 1.291 19.825 ( 1.443 -2.466 0.431) 2.889 20.311 ( -6.345 4.885 4.670) 9.269 20.435 ( -4.551 -7.494 3.430) 9.415 20.653 ( -4.123 2.344 -0.498) 4.769 20.705 ( -4.277 -3.296 2.603) 5.994 20.922 ( -4.613 4.429 2.433) 6.842 20.983 ( -5.929 -2.286 2.104) 6.694 21.259 ( -6.709 6.900 -0.507) 9.638 21.375 ( -7.819 -5.408 -2.570) 9.848 22.486 ( 1.407 1.048 -0.522) 1.830 22.508 ( 1.021 -1.266 -0.413) 1.678 22.545 ( 2.971 0.463 0.751) 3.099 22.556 ( 2.684 -0.752 0.316) 2.805 ======================= Grid point 52 (30/54) ======================= q-point: ( 0.43 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( 3.497 4.243 -1.923) 5.824 1.187 ( -0.417 -3.307 -1.140) 3.522 1.597 ( 7.249 1.395 -1.541) 7.541 1.653 ( 2.967 -3.694 1.404) 4.942 1.979 ( 2.947 2.594 5.473) 6.735 2.005 ( 7.371 -0.160 8.483) 11.239 2.104 ( -6.123 4.221 -5.514) 9.258 2.169 ( -8.282 -0.785 -4.278) 9.355 2.197 ( 1.310 5.609 6.261) 8.507 2.293 ( 5.302 0.220 0.881) 5.379 2.338 ( -0.284 -3.604 -0.109) 3.617 2.372 ( 8.384 -4.277 1.407) 9.517 2.401 ( 5.306 1.078 0.189) 5.418 2.445 ( 1.705 -2.463 1.178) 3.219 2.497 ( -2.834 -0.388 -4.165) 5.052 2.549 ( -3.324 -3.472 -2.417) 5.380 2.616 ( 3.564 2.461 -2.644) 5.074 2.682 ( 2.740 -3.790 -0.434) 4.697 2.858 ( 1.075 2.415 2.612) 3.716 2.897 ( 4.135 -0.413 2.670) 4.940 2.979 ( -2.878 2.931 -1.506) 4.375 3.034 ( -2.993 -2.117 -1.925) 4.141 3.056 ( -3.369 2.188 1.769) 4.390 3.133 ( -1.189 -4.894 0.321) 5.047 3.239 ( 3.241 6.031 1.231) 6.956 3.355 ( 0.623 -4.528 1.632) 4.853 3.446 ( -3.713 5.102 0.581) 6.336 3.474 ( 1.407 0.568 -0.224) 1.534 3.500 ( -3.120 0.051 -1.679) 3.543 3.524 ( 0.751 -1.295 -1.722) 2.282 3.569 ( 2.008 2.725 0.106) 3.386 3.604 ( 6.785 0.464 2.963) 7.419 3.686 ( -2.138 4.309 -1.181) 4.954 3.700 ( -1.101 6.287 -1.018) 6.463 3.772 ( 4.610 -2.199 -2.424) 5.654 3.835 ( -1.264 -4.102 1.094) 4.430 3.900 ( 3.091 7.967 3.504) 9.236 3.955 ( 7.544 0.768 5.406) 9.312 3.995 ( 0.130 1.014 -7.464) 7.533 4.041 ( -0.560 -1.005 -2.246) 2.524 4.095 ( -4.189 4.032 -0.798) 5.869 4.166 ( -7.676 2.338 -2.982) 8.560 4.235 ( 0.511 1.241 1.102) 1.737 4.288 ( -3.211 3.556 -1.540) 5.033 4.351 ( 0.527 -2.307 3.050) 3.860 4.402 ( 6.873 -9.900 3.084) 12.440 4.477 ( 7.711 3.981 -0.857) 8.721 4.518 ( 5.535 0.473 6.072) 8.230 4.597 ( 2.208 -3.774 0.614) 4.416 4.660 ( -5.099 -5.078 -7.733) 10.564 4.756 ( 8.834 4.526 -1.896) 10.105 4.795 ( 8.524 -0.588 -0.818) 8.583 4.923 ( 4.239 2.979 -3.826) 6.441 4.950 ( -1.228 -0.136 -0.614) 1.379 5.056 ( 2.604 -0.265 -4.769) 5.440 5.099 ( 0.973 -4.053 -2.278) 4.750 5.216 ( -6.811 3.334 0.768) 7.622 5.309 ( -5.181 -3.270 -4.074) 7.357 5.353 ( -3.299 2.518 2.820) 5.017 5.416 ( 0.201 -1.404 5.128) 5.320 5.565 ( -2.469 2.180 -1.032) 3.451 5.583 ( -0.193 1.800 2.424) 3.026 5.648 ( -4.992 -2.138 -1.309) 5.586 5.703 ( 1.475 -5.550 2.167) 6.138 5.867 ( -3.498 -0.307 -2.078) 4.081 5.871 ( -3.909 -1.360 -0.685) 4.195 5.904 ( -0.525 0.962 3.352) 3.527 5.936 ( -0.650 -1.483 3.101) 3.498 6.082 ( -5.216 4.480 2.485) 7.311 6.182 ( -5.101 -6.016 1.353) 8.003 6.350 ( -2.717 3.179 -0.813) 4.260 6.413 ( -3.333 -3.705 -1.505) 5.206 6.615 ( 0.898 2.690 0.745) 2.932 6.654 ( 3.042 -1.550 -0.338) 3.431 6.674 ( 1.905 0.578 -0.990) 2.223 6.705 ( 1.704 -2.152 -0.494) 2.789 6.929 ( -0.052 2.073 1.047) 2.323 6.953 ( -0.185 -0.405 1.877) 1.929 7.051 ( -5.046 1.910 -0.345) 5.406 7.079 ( -4.034 -0.819 0.558) 4.154 7.312 ( 2.086 4.240 0.313) 4.736 7.364 ( 0.790 -0.334 -0.632) 1.065 7.527 ( -2.664 3.478 3.370) 5.527 7.601 ( -2.869 -3.821 2.323) 5.313 7.788 ( 0.489 2.282 4.165) 4.774 7.879 ( 1.298 -5.667 3.102) 6.590 8.044 ( 1.156 -1.003 0.136) 1.537 8.047 ( 1.422 -0.366 -1.839) 2.354 8.262 ( 0.803 5.585 0.325) 5.652 8.344 ( 2.263 -3.088 -0.285) 3.839 8.415 ( 2.537 2.460 -3.225) 4.785 8.423 ( 2.128 1.274 -3.649) 4.412 8.654 ( -0.819 0.669 0.982) 1.443 8.676 ( -1.820 -1.743 1.966) 3.196 8.920 ( -0.679 3.189 4.763) 5.772 8.970 ( 0.365 -1.903 3.961) 4.410 9.117 ( 0.673 2.516 0.305) 2.622 9.138 ( -0.384 1.203 -0.625) 1.409 9.189 ( 3.287 1.399 1.241) 3.782 9.223 ( 1.802 -2.236 -2.032) 3.518 9.341 ( 0.648 4.843 -2.938) 5.701 9.414 ( -1.315 -1.078 -5.290) 5.556 9.602 ( -1.931 -0.879 -5.113) 5.536 9.624 ( -0.452 -2.410 -2.174) 3.277 9.665 ( -0.980 1.649 0.672) 2.033 9.726 ( 0.237 -2.757 5.967) 6.577 9.765 ( 0.211 0.710 4.977) 5.032 9.780 ( -0.962 0.949 5.834) 5.989 9.971 ( -0.122 2.156 -0.477) 2.212 10.079 ( 0.147 -6.704 -4.316) 7.974 10.101 ( 0.487 3.716 -5.740) 6.855 10.159 ( -0.900 -1.882 -3.512) 4.085 10.320 ( 3.214 2.387 2.020) 4.484 10.349 ( 0.863 -0.432 4.241) 4.349 10.397 ( 1.489 1.972 1.209) 2.751 10.446 ( 0.427 -1.278 -2.626) 2.952 10.491 ( 0.923 0.522 0.675) 1.257 10.543 ( 1.048 -3.745 -0.078) 3.890 10.644 ( 2.870 1.251 -2.182) 3.816 10.658 ( 5.030 -1.275 0.491) 5.212 10.829 ( -0.519 -0.922 -1.067) 1.503 10.846 ( -1.054 -2.087 -1.777) 2.937 11.037 ( 2.129 2.551 1.965) 3.860 11.093 ( 2.723 -1.871 1.311) 3.554 11.117 ( -5.971 1.941 -1.270) 6.406 11.179 ( -7.157 -2.874 0.621) 7.738 11.331 ( 0.247 5.019 -1.758) 5.324 11.413 ( -0.449 -3.927 -0.014) 3.953 11.633 ( 0.749 3.712 2.020) 4.292 11.687 ( -0.388 -1.274 1.122) 1.742 11.815 ( -0.216 2.228 -0.124) 2.242 11.841 ( 1.185 -0.936 1.209) 1.934 12.088 ( 1.706 2.452 0.276) 3.000 12.161 ( -1.097 -5.214 3.611) 6.436 12.281 ( 2.159 10.575 -5.626) 12.172 12.507 ( 5.528 -9.941 -7.357) 13.546 12.637 ( -0.557 9.810 1.906) 10.008 12.908 ( 1.130 -14.338 -0.746) 14.402 13.241 ( -3.703 6.080 0.263) 7.123 13.429 ( -1.643 -12.296 -3.978) 13.027 13.823 ( 1.905 0.255 0.571) 2.005 13.860 ( -0.601 -3.616 0.818) 3.755 14.129 ( -0.192 1.751 2.124) 2.760 14.171 ( -1.655 -2.467 2.165) 3.676 14.522 ( -1.475 5.807 -1.491) 6.174 14.591 ( -1.057 -1.622 -3.639) 4.122 14.906 ( -0.639 2.652 3.257) 4.248 14.942 ( -0.144 -0.873 3.237) 3.356 15.081 ( 0.260 1.091 0.805) 1.380 15.092 ( -0.450 0.052 1.246) 1.326 15.420 ( 0.706 4.303 -0.421) 4.381 15.485 ( 0.675 -2.386 -1.279) 2.790 17.353 ( 0.330 12.322 1.591) 12.429 17.506 ( 0.949 1.544 -1.186) 2.166 17.531 ( 1.748 4.600 0.496) 4.946 17.654 ( 0.883 -2.464 -1.448) 2.992 18.203 ( 2.413 0.940 1.803) 3.155 18.232 ( 6.770 -1.526 0.283) 6.945 18.378 ( -3.033 -4.853 -0.359) 5.735 18.415 ( -6.182 -8.487 1.181) 10.566 18.975 ( 1.560 3.555 0.677) 3.941 19.028 ( 3.514 -2.043 -0.354) 4.080 19.213 ( 2.794 -3.334 -0.354) 4.365 19.214 ( 3.840 -3.332 0.800) 5.146 19.638 ( 2.397 5.708 -7.362) 9.619 19.693 ( 0.977 0.002 -6.585) 6.657 19.817 ( 0.221 1.443 -0.281) 1.487 19.881 ( 2.242 -4.405 -0.710) 4.993 20.201 ( -7.021 6.560 1.826) 9.781 20.327 ( -7.112 -5.905 -1.094) 9.309 20.612 ( -0.930 3.907 2.875) 4.940 20.675 ( -1.592 -2.837 4.396) 5.469 20.886 ( -1.928 1.763 3.998) 4.775 20.911 ( -2.230 -0.751 2.132) 3.176 21.152 ( -3.029 4.439 -2.216) 5.813 21.238 ( -3.609 -4.553 -3.471) 6.768 22.511 ( 1.120 0.590 0.334) 1.309 22.524 ( 0.729 -0.832 0.316) 1.150 22.583 ( 0.716 0.279 -0.050) 0.770 22.590 ( 0.824 -0.489 -0.290) 1.001 ======================= Grid point 53 (31/54) ======================= q-point: (-0.43 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( 3.281 1.747 -0.166) 3.721 1.220 ( 3.452 -3.888 0.777) 5.258 1.624 ( -3.668 3.722 -2.256) 5.692 1.678 ( -5.725 -0.825 2.103) 6.155 1.860 ( -9.078 4.696 3.366) 10.761 1.897 ( -7.545 1.541 -0.708) 7.734 2.120 ( -4.361 -4.042 3.452) 6.875 2.134 ( -2.471 -5.443 -0.271) 5.983 2.310 ( 6.791 1.306 3.265) 7.648 2.328 ( 1.279 0.312 -0.839) 1.561 2.419 ( 5.559 2.566 0.063) 6.124 2.433 ( 4.542 1.259 4.477) 6.501 2.472 ( 1.813 1.213 0.727) 2.299 2.518 ( 2.171 -1.798 1.226) 3.074 2.578 ( 6.753 -1.023 1.268) 6.947 2.596 ( 6.977 -1.752 0.445) 7.208 2.699 ( 5.543 1.238 0.503) 5.702 2.753 ( 4.143 -3.112 3.373) 6.183 2.825 ( -2.726 3.002 -4.265) 5.885 2.882 ( -5.367 -2.749 -6.868) 9.139 2.976 ( 2.015 1.878 -0.545) 2.808 2.996 ( -2.134 2.765 4.500) 5.697 3.027 ( -0.196 -1.642 1.806) 2.448 3.072 ( -6.528 -4.504 4.863) 9.303 3.233 ( -4.282 5.102 -4.566) 8.076 3.278 ( -6.309 3.687 2.373) 7.683 3.344 ( -6.252 -0.818 -2.811) 6.904 3.374 ( -6.750 -2.955 -3.092) 7.991 3.477 ( -0.894 1.780 0.864) 2.171 3.500 ( -3.085 -1.787 -1.529) 3.880 3.572 ( -2.982 0.513 -1.340) 3.310 3.577 ( -0.596 2.301 -1.023) 2.587 3.653 ( -6.287 8.122 0.455) 10.281 3.694 ( -6.697 6.508 -0.019) 9.338 3.765 ( 0.824 3.809 -2.205) 4.478 3.823 ( 0.772 0.480 0.294) 0.956 3.863 ( -4.891 -2.695 -1.003) 5.673 3.919 ( -2.134 -6.760 -5.048) 8.703 3.989 ( -0.142 1.737 -2.122) 2.745 4.039 ( -0.466 -2.723 -0.496) 2.806 4.077 ( 1.465 2.146 -3.387) 4.269 4.137 ( 5.736 0.234 -1.178) 5.860 4.207 ( -5.885 6.023 4.630) 9.610 4.285 ( -7.849 0.320 2.483) 8.238 4.323 ( 1.446 -1.506 0.622) 2.179 4.419 ( -5.852 -8.685 0.469) 10.483 4.507 ( 1.215 1.925 -1.072) 2.516 4.545 ( -1.156 0.303 0.247) 1.220 4.711 ( 1.445 2.614 0.964) 3.139 4.760 ( 8.316 -2.984 3.530) 9.514 4.789 ( -4.548 0.109 0.468) 4.573 4.814 ( 1.206 -2.349 -2.374) 3.551 4.965 ( 3.631 2.210 -1.654) 4.561 5.000 ( 5.673 -0.862 -1.187) 5.860 5.076 ( 1.307 8.855 -1.671) 9.105 5.204 ( 9.607 6.344 1.525) 11.613 5.234 ( 2.533 -5.131 -0.513) 5.745 5.270 ( 3.278 -2.357 -0.216) 4.043 5.310 ( -0.058 2.096 0.702) 2.211 5.374 ( -5.709 -4.500 1.253) 7.377 5.473 ( -0.310 0.777 -1.514) 1.730 5.525 ( -3.893 -3.983 -1.379) 5.738 5.666 ( 3.183 4.119 2.227) 5.661 5.736 ( 0.700 -3.612 -0.220) 3.686 5.842 ( 0.832 -0.026 -0.384) 0.917 5.863 ( 2.957 -2.501 -0.100) 3.874 5.972 ( 4.867 1.775 1.497) 5.393 6.004 ( 5.051 -1.579 1.647) 5.542 6.075 ( 2.656 3.485 3.600) 5.671 6.162 ( 2.178 -5.885 1.967) 6.576 6.297 ( -0.936 2.136 -2.031) 3.093 6.356 ( -0.175 -4.341 -2.854) 5.198 6.646 ( 0.307 3.515 1.400) 3.796 6.699 ( 1.685 -1.659 -0.152) 2.369 6.708 ( 1.844 1.366 1.565) 2.778 6.739 ( 1.811 -1.678 0.800) 2.595 6.934 ( 0.233 2.720 3.026) 4.076 6.959 ( -0.901 -0.030 -1.134) 1.449 6.968 ( -2.055 0.624 -2.371) 3.199 7.010 ( -1.894 -2.843 -2.370) 4.158 7.377 ( 1.630 4.468 3.506) 5.909 7.405 ( 3.383 2.264 1.851) 4.472 7.505 ( -1.356 1.394 2.347) 3.048 7.539 ( -4.291 -3.174 -0.263) 5.344 7.828 ( -0.247 1.829 5.137) 5.459 7.906 ( -1.381 -5.040 3.983) 6.571 8.017 ( -2.082 0.853 -0.881) 2.417 8.060 ( 0.136 -3.193 -0.841) 3.305 8.250 ( -1.884 5.577 -0.467) 5.905 8.324 ( -2.190 -2.201 -1.965) 3.674 8.429 ( 0.780 2.220 -2.518) 3.446 8.454 ( 1.975 -0.146 -2.546) 3.226 8.700 ( 3.684 0.599 3.323) 4.998 8.715 ( 3.363 -0.971 3.396) 4.877 8.933 ( -0.940 4.197 5.116) 6.683 8.986 ( -1.140 -1.466 4.442) 4.815 9.082 ( -3.805 3.041 -2.771) 5.604 9.116 ( -2.257 0.439 1.103) 2.550 9.179 ( -3.776 -0.474 -2.681) 4.655 9.200 ( -1.909 -1.738 -0.395) 2.612 9.337 ( -0.295 1.499 -1.197) 1.941 9.384 ( 1.236 -1.735 -4.801) 5.252 9.519 ( -1.746 2.489 -6.555) 7.226 9.584 ( 0.408 -3.104 -7.922) 8.518 9.678 ( -0.217 2.954 3.844) 4.852 9.745 ( -1.077 -3.511 3.031) 4.762 9.824 ( 1.759 2.603 8.275) 8.851 9.849 ( 1.422 -1.307 9.847) 10.035 9.974 ( 1.389 3.284 -1.364) 3.817 10.049 ( -0.301 -0.952 -5.075) 5.173 10.101 ( 3.670 -2.414 -3.707) 5.748 10.129 ( 0.978 -2.630 -5.783) 6.427 10.318 ( -3.998 2.281 3.659) 5.880 10.345 ( -3.099 -0.341 2.636) 4.083 10.432 ( 1.359 2.159 0.334) 2.572 10.469 ( 1.091 -0.529 -0.830) 1.469 10.528 ( 1.309 0.256 -1.423) 1.951 10.581 ( 0.538 -4.026 -0.218) 4.068 10.613 ( -1.115 2.853 -1.233) 3.302 10.685 ( -1.194 -4.347 0.223) 4.514 10.832 ( -0.444 0.874 -0.645) 1.174 10.844 ( 0.839 -0.661 0.725) 1.291 11.018 ( -2.895 1.811 -0.647) 3.476 11.050 ( -1.771 -1.413 -0.319) 2.288 11.153 ( 4.692 0.440 -0.320) 4.724 11.180 ( 5.202 -2.229 1.827) 5.947 11.309 ( -1.298 5.142 -1.155) 5.428 11.397 ( -0.829 -4.657 -0.904) 4.816 11.655 ( 0.065 2.920 1.740) 3.400 11.688 ( -0.237 -0.385 0.876) 0.986 11.795 ( -1.926 3.993 0.516) 4.463 11.860 ( 0.335 -2.120 0.878) 2.319 12.098 ( -0.675 -0.314 0.274) 0.793 12.127 ( -3.781 -4.311 2.174) 6.133 12.294 ( 2.436 13.438 -4.886) 14.505 12.564 ( 4.634 -13.510 -6.379) 15.643 12.696 ( 4.047 10.543 4.877) 12.301 12.933 ( 2.129 -10.825 -2.722) 11.363 13.193 ( -1.220 3.657 1.171) 4.029 13.374 ( -0.471 -12.778 -5.776) 14.031 13.820 ( -3.273 -0.447 -0.646) 3.366 13.834 ( -1.506 -1.781 0.891) 2.497 14.175 ( 2.555 0.407 4.110) 4.857 14.194 ( 2.545 -1.233 3.713) 4.668 14.478 ( -1.461 5.118 -3.690) 6.477 14.543 ( -1.283 -1.871 -4.693) 5.212 14.894 ( -2.875 3.537 3.148) 5.540 14.948 ( -1.510 -2.102 3.272) 4.172 15.082 ( -0.580 0.766 0.640) 1.154 15.085 ( -0.978 0.769 1.159) 1.700 15.418 ( -0.643 4.234 -0.486) 4.310 15.481 ( -0.199 -2.334 -1.464) 2.762 17.365 ( -0.477 12.232 1.946) 12.395 17.495 ( -1.181 3.738 -1.233) 4.109 17.554 ( 0.083 1.547 1.050) 1.871 17.647 ( -0.744 -2.976 -1.793) 3.553 18.222 ( -4.303 0.713 2.254) 4.910 18.278 ( -1.463 -3.584 2.302) 4.504 18.352 ( -0.094 -4.075 -1.597) 4.378 18.411 ( 7.321 -6.404 0.635) 9.747 18.984 ( -1.791 3.670 0.830) 4.167 19.047 ( -1.839 -3.085 0.421) 3.616 19.260 ( 2.327 -0.648 2.050) 3.168 19.296 ( 2.985 -4.294 3.312) 6.190 19.620 ( 2.501 3.823 -11.263) 12.154 19.671 ( 2.349 -1.795 -9.912) 10.343 19.800 ( -2.223 3.121 1.186) 4.011 19.864 ( -2.932 -2.721 -1.837) 4.401 20.123 ( -2.158 4.852 1.747) 5.590 20.205 ( -4.935 -3.311 0.060) 5.943 20.640 ( 1.778 3.212 2.688) 4.550 20.683 ( 0.038 -1.757 2.522) 3.074 20.904 ( 1.850 2.888 4.496) 5.655 20.948 ( 3.317 -1.994 3.544) 5.247 21.133 ( 2.784 4.888 -3.088) 6.417 21.231 ( 5.074 -5.152 -3.733) 8.137 22.525 ( -0.213 0.399 0.906) 1.012 22.535 ( -0.124 -0.658 0.606) 0.903 22.570 ( -1.720 0.460 -0.517) 1.854 22.581 ( -1.387 -0.687 -0.645) 1.677 ======================= Grid point 54 (32/54) ======================= q-point: (-0.29 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( 0.340 5.234 1.465) 5.445 1.304 ( 4.051 -2.277 -1.074) 4.770 1.380 ( -14.467 8.880 -1.245) 17.020 1.554 ( -6.292 -5.061 -1.327) 8.184 1.704 ( -6.873 11.138 -1.145) 13.138 1.903 ( -5.556 -9.862 -2.031) 11.500 2.014 ( -2.943 -1.370 3.783) 4.985 2.024 ( -5.845 -2.536 2.377) 6.800 2.319 ( -3.050 0.797 0.876) 3.271 2.328 ( -5.544 0.312 -1.336) 5.711 2.443 ( -3.499 2.278 -0.709) 4.235 2.460 ( -2.852 0.845 -0.622) 3.039 2.533 ( -6.835 6.196 -2.466) 9.549 2.588 ( -4.186 -0.653 -8.195) 9.226 2.611 ( 6.483 2.579 -0.498) 6.995 2.689 ( 7.751 -2.632 2.563) 8.578 2.741 ( -5.197 3.378 2.593) 6.719 2.784 ( 2.341 1.495 -1.394) 3.108 2.800 ( 0.539 -0.250 0.426) 0.731 2.829 ( 0.483 -3.580 -0.166) 3.617 2.936 ( -5.812 5.338 2.051) 8.153 2.985 ( -1.579 -1.516 3.456) 4.091 3.030 ( 2.763 -0.058 -2.079) 3.458 3.074 ( 2.223 -0.647 3.854) 4.496 3.107 ( 1.323 2.016 7.461) 7.841 3.207 ( -4.912 -5.465 -2.437) 7.742 3.252 ( -0.004 1.947 -3.888) 4.348 3.306 ( -0.756 -1.149 2.848) 3.162 3.406 ( -4.126 0.845 -0.178) 4.216 3.448 ( -2.559 -0.708 1.267) 2.942 3.484 ( -6.539 6.603 -1.342) 9.389 3.545 ( -0.527 4.564 -0.445) 4.615 3.601 ( 0.817 4.081 -0.110) 4.163 3.647 ( -4.357 -1.498 0.957) 4.706 3.677 ( -5.152 -1.722 0.103) 5.433 3.769 ( 0.059 4.607 -1.841) 4.962 3.809 ( -7.087 -9.880 -3.288) 12.595 3.856 ( -4.250 -4.191 -3.660) 7.001 3.929 ( -7.244 1.603 6.913) 10.140 4.023 ( -4.556 -4.522 4.037) 7.584 4.050 ( -5.812 2.344 2.655) 6.806 4.093 ( 2.472 -2.264 -0.054) 3.353 4.187 ( -1.505 1.487 -1.366) 2.518 4.206 ( 2.411 0.065 -1.965) 3.111 4.341 ( -0.858 0.273 -2.104) 2.289 4.381 ( 3.413 -1.973 -2.397) 4.614 4.460 ( -4.272 1.970 -1.262) 4.870 4.522 ( -3.476 -1.368 -0.096) 3.736 4.610 ( -3.473 0.747 -6.068) 7.032 4.650 ( -8.140 -5.498 -2.723) 10.193 4.872 ( 1.107 4.975 0.287) 5.105 4.940 ( 3.914 -1.428 4.279) 5.972 5.000 ( 1.781 1.702 -3.018) 3.895 5.035 ( 0.768 2.441 -0.580) 2.624 5.125 ( 2.977 3.962 -0.687) 5.003 5.188 ( -3.605 1.954 2.111) 4.612 5.261 ( -1.420 -3.559 -1.142) 3.998 5.315 ( 0.699 -6.245 4.869) 7.949 5.394 ( 5.904 0.611 -0.250) 5.941 5.434 ( 7.000 -3.008 -5.083) 9.159 5.507 ( 2.265 0.134 3.544) 4.208 5.515 ( 2.608 -2.368 1.292) 3.752 5.744 ( 3.302 1.583 -5.355) 6.488 5.775 ( 6.552 -0.246 -0.459) 6.573 5.883 ( 4.701 3.501 1.969) 6.184 5.950 ( 5.268 -1.517 1.606) 5.713 6.078 ( 6.338 3.874 -2.265) 7.766 6.113 ( 4.221 0.713 0.167) 4.284 6.172 ( 4.865 3.206 2.884) 6.502 6.264 ( 7.533 -6.876 1.409) 10.296 6.342 ( 6.119 2.062 2.008) 6.762 6.395 ( 5.151 -3.725 -0.319) 6.364 6.629 ( -1.184 3.421 -1.681) 3.991 6.684 ( -1.472 -1.970 -3.212) 4.045 6.764 ( 1.799 2.750 2.941) 4.410 6.796 ( 0.974 -0.300 4.101) 4.225 6.880 ( -1.838 1.162 -6.533) 6.885 6.917 ( -0.191 -2.496 -5.372) 5.927 6.998 ( 1.728 1.883 8.222) 8.610 7.033 ( 0.980 -1.831 6.268) 6.603 7.365 ( -3.740 5.062 1.136) 6.395 7.435 ( -5.631 -2.258 -1.826) 6.336 7.492 ( 3.059 3.614 1.224) 4.891 7.537 ( 2.791 0.633 3.018) 4.159 7.800 ( -5.624 0.633 1.293) 5.805 7.870 ( -3.469 -5.115 1.715) 6.414 8.001 ( 0.722 2.711 -0.126) 2.809 8.068 ( 0.271 -3.724 -0.390) 3.754 8.191 ( -4.278 4.474 0.633) 6.222 8.257 ( -3.808 -2.863 0.834) 4.837 8.406 ( -0.685 3.504 -3.079) 4.715 8.462 ( 1.488 -1.935 -3.044) 3.902 8.759 ( 0.288 2.165 0.250) 2.199 8.799 ( 2.005 -2.330 -0.223) 3.082 8.941 ( -3.257 4.415 1.794) 5.772 8.979 ( -3.562 2.537 1.376) 4.585 9.009 ( -0.529 0.824 2.258) 2.461 9.057 ( -4.623 -5.564 -0.601) 7.259 9.104 ( -1.597 3.592 2.293) 4.551 9.180 ( 0.800 -3.361 3.475) 4.900 9.310 ( -1.593 0.286 0.623) 1.734 9.348 ( -2.418 -3.422 -2.116) 4.695 9.491 ( 2.705 5.526 -6.002) 8.595 9.555 ( 1.402 -1.354 -5.993) 6.302 9.703 ( -0.193 3.252 5.395) 6.302 9.761 ( 0.384 -2.943 3.669) 4.719 9.866 ( -2.871 1.106 5.953) 6.701 9.908 ( -2.308 -1.877 8.569) 9.071 9.982 ( 0.514 2.835 -4.707) 5.519 10.041 ( 1.444 -2.480 -4.130) 5.029 10.131 ( 4.074 0.528 -4.378) 6.004 10.148 ( 2.086 -1.256 -4.448) 5.070 10.269 ( -2.156 2.573 3.298) 4.706 10.301 ( -3.128 -2.765 1.746) 4.525 10.390 ( -6.705 1.611 0.511) 6.915 10.438 ( -1.841 3.207 -6.355) 7.353 10.482 ( -2.110 -2.935 -0.305) 3.628 10.566 ( 1.719 -6.345 -1.623) 6.771 10.654 ( 3.378 2.202 -0.186) 4.036 10.701 ( 1.298 -3.852 0.345) 4.079 10.816 ( -1.359 -0.293 2.155) 2.564 10.840 ( -1.585 -2.542 1.397) 3.305 10.987 ( -0.211 4.229 -0.692) 4.290 11.039 ( 0.107 -0.973 -1.005) 1.403 11.226 ( 2.125 1.344 -2.927) 3.859 11.273 ( 2.418 -3.179 -0.487) 4.023 11.316 ( 3.827 4.347 1.420) 5.963 11.386 ( 1.876 -3.597 -1.030) 4.185 11.655 ( -0.788 2.434 0.948) 2.729 11.686 ( -0.912 -0.843 1.085) 1.650 11.759 ( -2.622 4.246 1.384) 5.179 11.869 ( -0.257 -5.018 1.541) 5.256 12.056 ( -3.905 -0.536 3.024) 4.968 12.100 ( -0.062 -3.889 -1.227) 4.079 12.293 ( 1.021 14.576 -5.969) 15.784 12.576 ( 1.233 -15.146 -7.660) 17.018 12.807 ( 3.631 7.771 4.093) 9.504 12.932 ( 0.874 -3.637 -6.089) 7.146 13.216 ( 1.049 2.893 4.718) 5.633 13.360 ( 2.578 -10.590 -3.370) 11.408 13.766 ( -0.670 0.134 -1.675) 1.809 13.802 ( -2.062 -3.405 2.078) 4.491 14.249 ( 1.749 2.451 2.824) 4.128 14.294 ( 4.176 -1.421 4.836) 6.545 14.426 ( -0.723 3.995 -4.122) 5.786 14.486 ( -1.424 -2.679 -3.981) 5.006 14.847 ( -4.349 4.224 4.040) 7.286 14.928 ( -2.716 -4.289 3.224) 6.014 15.071 ( -1.179 1.322 1.806) 2.530 15.081 ( -0.384 0.427 1.722) 1.815 15.393 ( -1.526 4.585 -0.447) 4.853 15.461 ( -0.743 -2.679 -1.572) 3.193 17.354 ( -1.422 9.686 -0.147) 9.791 17.452 ( -2.629 1.694 -0.238) 3.137 17.540 ( -2.272 0.684 -0.135) 2.376 17.601 ( -2.806 -3.468 -1.364) 4.665 18.109 ( -6.409 7.124 0.971) 9.632 18.320 ( 1.301 -14.173 1.681) 14.331 18.366 ( 4.335 9.135 -0.545) 10.126 18.538 ( 4.924 -9.068 0.949) 10.363 18.900 ( -6.910 2.692 -0.503) 7.433 18.959 ( -7.199 -3.781 -1.273) 8.231 19.323 ( 2.526 1.475 2.456) 3.820 19.374 ( 2.891 -3.597 3.049) 5.530 19.593 ( 3.450 4.029 -15.143) 16.045 19.658 ( 3.457 -3.415 -11.261) 12.265 19.778 ( -1.498 1.510 4.788) 5.240 19.796 ( -2.729 -0.343 0.534) 2.801 20.117 ( -0.122 5.121 2.992) 5.932 20.183 ( 1.690 -2.982 4.763) 5.868 20.694 ( 2.082 0.742 0.495) 2.265 20.712 ( 1.901 -1.267 1.063) 2.520 21.010 ( 5.530 3.421 5.205) 8.330 21.059 ( 5.501 -1.865 4.419) 7.299 21.199 ( 5.924 8.241 -3.468) 10.726 21.344 ( 8.843 -6.731 -3.844) 11.759 22.501 ( -2.794 0.733 -0.645) 2.960 22.520 ( -2.022 -1.254 -0.304) 2.399 22.531 ( -1.829 0.746 0.744) 2.111 22.547 ( -1.600 -0.899 0.397) 1.877 ======================= Grid point 55 (33/54) ======================= q-point: (-0.14 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( -9.038 17.168 -5.139) 20.071 1.202 ( -9.865 20.476 6.617) 23.672 1.315 ( -1.080 -9.732 -9.160) 13.409 1.556 ( 1.701 -8.128 5.158) 9.776 1.567 ( -6.416 -5.539 -1.862) 8.678 1.669 ( -4.768 -8.341 -4.931) 10.799 1.981 ( -2.553 7.148 4.561) 8.855 2.033 ( -3.919 -1.954 -0.543) 4.412 2.142 ( -7.564 7.216 -4.165) 11.253 2.225 ( -2.755 0.011 -0.409) 2.786 2.331 ( -3.370 18.010 -4.884) 18.962 2.392 ( -4.008 -0.306 -3.407) 5.270 2.434 ( -5.005 6.893 1.952) 8.739 2.517 ( -5.153 4.245 1.121) 6.769 2.535 ( -2.776 -3.411 0.060) 4.398 2.609 ( -8.519 3.885 5.752) 10.989 2.669 ( -4.863 -5.143 2.268) 7.433 2.805 ( 4.641 -0.549 -0.392) 4.689 2.886 ( 4.603 3.750 -3.883) 7.094 2.932 ( 4.677 2.303 0.926) 5.295 2.979 ( 8.031 -2.370 -1.742) 8.552 3.033 ( 1.398 -4.945 2.992) 5.946 3.088 ( 0.580 -2.517 -1.633) 3.056 3.115 ( 0.609 -4.513 -0.796) 4.623 3.140 ( 2.418 2.137 -1.672) 3.635 3.202 ( -6.669 1.933 3.750) 7.891 3.208 ( 0.631 -1.050 -1.677) 2.077 3.305 ( 0.297 -2.241 0.240) 2.273 3.333 ( -5.118 1.165 0.151) 5.251 3.371 ( -5.532 -5.193 1.828) 7.805 3.407 ( 0.579 2.327 2.206) 3.258 3.506 ( -5.838 -11.263 1.867) 12.822 3.557 ( 0.171 4.739 0.178) 4.746 3.621 ( 0.071 4.566 2.614) 5.262 3.645 ( -7.309 -3.896 3.038) 8.822 3.706 ( 2.946 -2.978 -1.400) 4.416 3.732 ( -1.775 1.939 -0.298) 2.646 3.777 ( 0.140 -2.665 -3.107) 4.096 3.852 ( -2.700 4.990 5.118) 7.641 3.953 ( -6.609 -3.422 5.199) 9.078 4.048 ( -1.937 2.848 1.301) 3.682 4.101 ( -1.261 -1.662 4.681) 5.125 4.197 ( -5.091 1.123 0.789) 5.273 4.223 ( 0.743 -1.157 -1.547) 2.070 4.260 ( 2.177 6.331 -5.344) 8.566 4.399 ( 1.430 1.113 -1.641) 2.445 4.454 ( 1.960 -0.942 -3.963) 4.521 4.468 ( -2.250 -1.016 -1.073) 2.691 4.499 ( -0.545 -9.107 -0.671) 9.148 4.553 ( -1.279 -5.503 -1.882) 5.955 4.799 ( -4.995 3.567 -4.644) 7.697 4.887 ( -5.565 -1.975 -3.423) 6.825 5.053 ( 2.574 3.313 -0.347) 4.210 5.088 ( 2.950 -1.244 2.038) 3.795 5.149 ( -0.643 2.006 -3.540) 4.120 5.166 ( 0.176 -3.169 -1.454) 3.491 5.261 ( 1.300 3.280 3.543) 5.000 5.341 ( -0.427 -2.331 1.705) 2.919 5.408 ( -0.539 0.461 -3.803) 3.868 5.487 ( 1.962 -7.506 -4.389) 8.914 5.575 ( 1.664 -0.368 2.419) 2.959 5.610 ( 4.105 -2.630 3.332) 5.905 5.797 ( 5.794 5.104 -3.901) 8.651 5.882 ( 5.783 -3.371 -0.714) 6.732 6.008 ( 3.954 3.423 3.012) 6.035 6.058 ( 4.725 2.055 2.124) 5.573 6.126 ( -0.226 1.553 0.151) 1.577 6.166 ( 2.961 1.166 -2.980) 4.360 6.313 ( 8.733 6.087 -0.519) 10.657 6.430 ( 7.675 -5.927 1.168) 9.767 6.486 ( 6.457 0.821 -0.310) 6.516 6.490 ( 4.265 -0.194 1.033) 4.392 6.588 ( -0.342 2.525 -5.439) 6.006 6.640 ( -0.470 -2.052 -3.910) 4.441 6.752 ( -3.935 0.299 -1.998) 4.423 6.758 ( -2.919 -0.461 -4.483) 5.370 6.894 ( 4.355 4.098 4.250) 7.336 6.957 ( 3.256 -2.090 5.967) 7.111 7.082 ( 0.977 -0.356 9.958) 10.013 7.090 ( 0.041 -1.171 8.342) 8.424 7.280 ( -8.438 2.461 -0.852) 8.831 7.296 ( -5.666 0.860 1.722) 5.984 7.539 ( 1.461 4.611 0.550) 4.869 7.619 ( 3.653 -1.727 1.198) 4.214 7.700 ( -3.233 4.414 -0.347) 5.482 7.823 ( -1.048 -6.797 -1.862) 7.125 7.956 ( -7.011 2.264 0.385) 7.377 7.989 ( -7.782 -1.177 0.056) 7.871 8.156 ( 2.356 5.141 -0.279) 5.662 8.280 ( 4.552 -7.810 0.577) 9.059 8.401 ( 1.880 5.597 -0.158) 5.907 8.487 ( 3.008 -3.301 -1.362) 4.669 8.699 ( -6.087 1.330 -2.656) 6.773 8.744 ( -6.238 -2.862 -1.402) 7.005 8.845 ( -4.577 4.423 -2.639) 6.890 8.897 ( -5.865 0.377 -2.479) 6.378 8.997 ( -0.871 0.469 0.060) 0.991 9.019 ( 2.592 -1.630 0.591) 3.118 9.118 ( -1.125 4.298 3.285) 5.525 9.217 ( -2.417 -6.262 1.477) 6.873 9.350 ( 2.997 0.145 4.208) 5.168 9.355 ( 4.075 -1.160 7.311) 8.450 9.513 ( 2.918 4.225 -3.311) 6.110 9.563 ( 1.963 -0.854 -1.029) 2.375 9.731 ( -1.947 4.190 5.408) 7.113 9.779 ( -3.467 2.171 2.812) 4.964 9.817 ( -2.339 -4.517 5.640) 7.595 9.852 ( -7.511 -3.948 2.913) 8.971 9.949 ( -0.138 3.416 -4.086) 5.328 10.011 ( -0.882 -2.485 -4.755) 5.437 10.121 ( 0.073 3.015 -2.779) 4.101 10.196 ( 3.972 -1.895 -5.262) 6.860 10.215 ( -4.531 2.182 -2.554) 5.641 10.266 ( -3.559 4.629 1.444) 6.015 10.329 ( 1.207 -6.877 0.108) 6.983 10.362 ( -0.738 -4.444 -3.882) 5.947 10.489 ( 1.094 4.124 0.580) 4.306 10.575 ( 0.996 -2.333 -4.664) 5.309 10.686 ( 0.486 -2.097 -4.306) 4.814 10.702 ( -0.588 -5.664 -2.176) 6.096 10.811 ( -0.511 1.785 6.242) 6.512 10.858 ( 1.022 -2.365 5.548) 6.117 10.987 ( 0.026 3.846 -0.248) 3.854 11.024 ( -1.203 -0.526 -0.519) 1.412 11.222 ( 0.515 0.615 -4.558) 4.628 11.256 ( 0.125 -2.467 -3.223) 4.061 11.417 ( 4.682 5.821 0.924) 7.527 11.474 ( 5.952 -0.997 0.513) 6.056 11.650 ( -0.940 -0.501 1.938) 2.211 11.675 ( -0.306 -2.000 2.321) 3.079 11.709 ( -3.494 6.546 0.196) 7.423 11.866 ( -2.084 -8.168 3.174) 9.008 12.015 ( -2.027 1.868 1.014) 2.937 12.083 ( -0.708 -5.657 -2.165) 6.098 12.262 ( 0.680 14.166 -7.109) 15.864 12.514 ( -0.954 -12.966 -10.702) 16.839 12.859 ( 0.146 3.675 1.509) 3.976 12.907 ( 0.577 -1.151 -4.035) 4.236 13.263 ( 0.427 7.209 4.349) 8.430 13.415 ( 3.647 -8.391 -0.685) 9.175 13.787 ( 2.884 -0.343 0.609) 2.967 13.813 ( 1.721 -3.114 2.651) 4.437 14.219 ( -3.639 6.133 -3.725) 8.046 14.337 ( -1.614 -6.407 -2.796) 7.174 14.445 ( 3.013 4.398 3.035) 6.135 14.495 ( 3.149 -1.802 2.953) 4.678 14.800 ( -3.839 4.348 6.212) 8.499 14.899 ( -2.442 -5.670 3.599) 7.146 15.064 ( -1.203 1.566 2.623) 3.283 15.086 ( -0.697 -0.743 2.021) 2.263 15.365 ( -1.103 5.027 -0.098) 5.148 15.441 ( -0.279 -3.145 -1.188) 3.374 17.325 ( -0.194 6.721 -1.625) 6.917 17.409 ( -1.527 0.298 -0.244) 1.574 17.472 ( -3.701 0.312 -1.246) 3.918 17.535 ( -3.785 -3.958 -0.430) 5.493 18.027 ( -2.945 15.424 0.998) 15.734 18.332 ( 1.362 -12.566 -4.185) 13.315 18.492 ( 6.901 3.048 2.613) 7.984 18.602 ( 1.352 -7.019 1.031) 7.222 18.764 ( -6.389 1.130 -0.036) 6.489 18.805 ( -7.364 -3.713 0.509) 8.263 19.340 ( -0.517 4.600 -6.990) 8.384 19.411 ( 0.629 -2.426 -3.099) 3.986 19.553 ( 2.022 5.125 -10.125) 11.527 19.632 ( 0.207 -3.066 -7.701) 8.291 19.785 ( 1.032 0.428 0.149) 1.127 19.811 ( 1.483 -2.216 2.082) 3.383 20.215 ( 6.112 4.787 11.734) 14.069 20.298 ( 5.429 -4.636 6.711) 9.798 20.718 ( 0.880 0.328 -0.649) 1.142 20.745 ( 0.760 -2.273 0.471) 2.443 21.123 ( 2.783 3.382 2.576) 5.082 21.171 ( 2.631 -1.663 2.393) 3.926 21.297 ( 6.054 11.135 -0.160) 12.675 21.483 ( 8.067 -8.438 -3.032) 12.061 22.444 ( -2.272 1.129 -0.299) 2.554 22.469 ( -2.419 -1.666 -0.163) 2.942 22.509 ( -1.269 0.646 0.440) 1.490 22.523 ( -1.347 -0.763 0.172) 1.558 ======================= Grid point 70 (34/54) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( 0.856 0.000 22.434) 22.450 1.021 ( -1.275 0.000 17.269) 17.316 1.147 ( -6.546 0.000 1.621) 6.744 1.295 ( -6.933 0.000 -6.087) 9.226 1.406 ( 15.886 0.000 -10.855) 19.240 1.582 ( 0.499 0.000 -3.172) 3.211 1.711 ( -1.231 0.000 4.878) 5.031 1.984 ( -4.960 0.000 -12.114) 13.090 1.997 ( -2.223 0.000 5.858) 6.265 2.073 ( 3.166 0.000 -0.418) 3.193 2.234 ( 4.333 0.000 0.123) 4.334 2.269 ( 0.075 0.000 -5.319) 5.320 2.481 ( 6.230 0.000 7.158) 9.489 2.561 ( -0.643 0.000 5.495) 5.532 2.583 ( -1.543 0.000 -1.899) 2.448 2.601 ( -6.993 0.000 -3.831) 7.974 2.679 ( 0.381 0.000 -1.590) 1.635 2.692 ( 0.523 0.000 -2.087) 2.152 2.747 ( -0.067 0.000 5.841) 5.842 2.781 ( 2.196 0.000 2.506) 3.332 2.861 ( -6.141 0.000 -0.084) 6.141 3.054 ( 2.243 0.000 2.257) 3.182 3.065 ( -1.605 0.000 -11.638) 11.748 3.085 ( -0.793 0.000 -0.786) 1.117 3.188 ( 0.259 0.000 -0.321) 0.412 3.195 ( 1.159 0.000 -2.248) 2.529 3.249 ( 0.288 0.000 0.212) 0.358 3.269 ( 3.839 0.000 0.006) 3.839 3.365 ( 2.199 0.000 0.832) 2.352 3.378 ( -1.547 0.000 0.733) 1.712 3.485 ( -5.724 0.000 -1.144) 5.837 3.520 ( 2.381 0.000 1.414) 2.769 3.523 ( 1.771 0.000 -3.481) 3.906 3.538 ( 0.795 0.000 -0.671) 1.041 3.617 ( -0.696 0.000 3.974) 4.035 3.652 ( 5.814 0.000 -0.036) 5.814 3.674 ( -10.124 0.000 -2.313) 10.385 3.748 ( 0.237 0.000 -7.635) 7.639 3.906 ( -1.334 0.000 -1.077) 1.714 3.934 ( 7.517 0.000 -0.829) 7.563 3.997 ( 0.983 0.000 4.414) 4.522 4.064 ( -3.483 0.000 -2.298) 4.173 4.208 ( 3.961 0.000 1.371) 4.191 4.293 ( -1.377 0.000 -5.769) 5.931 4.429 ( -3.845 0.000 1.138) 4.009 4.446 ( 1.290 0.000 1.038) 1.656 4.490 ( -0.070 0.000 1.888) 1.889 4.548 ( -1.192 0.000 -0.421) 1.264 4.632 ( 0.002 0.000 13.653) 13.653 4.763 ( 0.641 0.000 -0.276) 0.698 4.774 ( -0.402 0.000 -0.744) 0.846 4.887 ( 2.683 0.000 -8.440) 8.856 4.973 ( 0.212 0.000 -1.336) 1.352 5.017 ( -2.502 0.000 -3.943) 4.669 5.287 ( -0.860 0.000 8.409) 8.453 5.346 ( 5.815 0.000 2.144) 6.198 5.381 ( -8.657 0.000 3.650) 9.395 5.432 ( 5.560 0.000 -1.099) 5.668 5.491 ( 2.232 0.000 0.878) 2.398 5.556 ( -3.403 0.000 -5.743) 6.675 5.644 ( 4.098 0.000 2.767) 4.945 5.714 ( -1.401 0.000 -3.235) 3.525 5.768 ( 4.313 0.000 4.151) 5.986 5.894 ( -6.078 0.000 -6.284) 8.742 5.999 ( 5.313 0.000 3.003) 6.103 6.029 ( 1.029 0.000 0.472) 1.132 6.046 ( -3.681 0.000 -1.212) 3.875 6.085 ( -2.564 0.000 -4.955) 5.579 6.154 ( 7.396 0.000 0.974) 7.460 6.203 ( -8.240 0.000 -3.809) 9.078 6.491 ( -0.613 0.000 0.003) 0.613 6.491 ( 0.274 0.000 -0.688) 0.740 6.603 ( -3.730 0.000 1.736) 4.115 6.628 ( 3.749 0.000 -0.343) 3.765 6.713 ( 1.356 0.000 2.360) 2.722 6.775 ( -3.295 0.000 -4.694) 5.735 6.953 ( -1.347 0.000 1.575) 2.073 7.002 ( 1.801 0.000 -3.337) 3.792 7.123 ( -11.275 0.000 6.792) 13.163 7.184 ( 10.950 0.000 2.369) 11.203 7.279 ( -9.635 0.000 5.398) 11.044 7.327 ( 11.598 0.000 -0.337) 11.603 7.520 ( 0.936 0.000 4.684) 4.777 7.574 ( 2.325 0.000 0.180) 2.332 7.705 ( -5.108 0.000 0.759) 5.164 7.791 ( 1.274 0.000 -8.240) 8.338 7.910 ( -2.561 0.000 3.955) 4.712 7.949 ( 2.210 0.000 -0.238) 2.223 8.102 ( 2.025 0.000 3.070) 3.678 8.131 ( -1.163 0.000 -0.241) 1.188 8.430 ( -5.438 0.000 1.749) 5.713 8.539 ( 2.930 0.000 -8.219) 8.726 8.564 ( 1.061 0.000 2.231) 2.470 8.603 ( -2.737 0.000 -1.662) 3.202 8.779 ( -3.724 0.000 1.529) 4.026 8.823 ( 4.976 0.000 -2.825) 5.722 8.973 ( 2.550 0.000 4.811) 5.445 9.058 ( 0.013 0.000 -5.331) 5.331 9.172 ( -1.925 0.000 2.202) 2.925 9.192 ( 2.107 0.000 -0.488) 2.163 9.410 ( -7.855 0.000 2.419) 8.219 9.482 ( 0.460 0.000 -4.452) 4.476 9.518 ( 8.515 0.000 0.442) 8.527 9.551 ( -5.579 0.000 -2.141) 5.976 9.586 ( -1.454 0.000 -1.874) 2.372 9.636 ( 3.396 0.000 -6.946) 7.732 9.835 ( 0.127 0.000 5.344) 5.346 9.872 ( -2.343 0.000 1.820) 2.967 10.000 ( 3.958 0.000 0.777) 4.034 10.009 ( -3.673 0.000 -1.841) 4.109 10.096 ( -1.317 0.000 4.474) 4.664 10.107 ( -1.578 0.000 1.119) 1.935 10.213 ( 3.913 0.000 5.827) 7.019 10.335 ( -0.994 0.000 -2.898) 3.063 10.348 ( 1.556 0.000 -1.374) 2.076 10.351 ( -1.218 0.000 -4.741) 4.895 10.528 ( -2.753 0.000 -0.054) 2.753 10.535 ( 4.688 0.000 1.525) 4.930 10.691 ( 7.720 0.000 1.375) 7.842 10.750 ( -7.740 0.000 -3.221) 8.383 10.843 ( -0.507 0.000 1.383) 1.473 10.874 ( 1.870 0.000 -1.918) 2.679 11.056 ( 0.755 0.000 4.099) 4.168 11.115 ( -5.012 0.000 1.732) 5.302 11.119 ( 0.192 0.000 6.271) 6.274 11.148 ( 2.518 0.000 -1.660) 3.016 11.375 ( 3.646 0.000 -1.125) 3.816 11.400 ( -2.562 0.000 -4.656) 5.314 11.723 ( -0.225 0.000 5.744) 5.748 11.747 ( 2.925 0.000 2.408) 3.788 11.802 ( -1.471 0.000 -3.143) 3.471 11.808 ( -2.084 0.000 -2.981) 3.637 12.024 ( -2.539 0.000 3.405) 4.247 12.127 ( 4.568 0.000 -7.453) 8.742 12.233 ( -3.936 0.000 10.842) 11.534 12.455 ( 2.376 0.000 -12.793) 13.012 12.768 ( -5.200 0.000 -0.581) 5.232 12.798 ( 6.013 0.000 -3.519) 6.967 13.237 ( -1.776 0.000 4.834) 5.150 13.314 ( 2.676 0.000 -3.558) 4.452 13.969 ( 3.024 0.000 3.223) 4.419 14.016 ( -2.773 0.000 -1.384) 3.099 14.244 ( -0.014 0.000 13.288) 13.288 14.353 ( 0.514 0.000 2.968) 3.012 14.417 ( -2.456 0.000 -1.934) 3.126 14.487 ( 2.389 0.000 -10.954) 11.211 14.921 ( 0.008 0.000 3.345) 3.345 14.962 ( -0.454 0.000 -0.421) 0.619 15.065 ( 0.104 0.000 -0.402) 0.416 15.077 ( -0.043 0.000 -1.568) 1.569 15.421 ( -4.284 0.000 3.341) 5.433 15.471 ( 1.776 0.000 -1.990) 2.667 17.195 ( -7.342 0.000 0.711) 7.376 17.212 ( 6.499 0.000 -1.149) 6.600 17.342 ( 3.302 0.000 1.223) 3.521 17.371 ( -3.325 0.000 -1.738) 3.752 17.756 ( 2.404 0.000 4.841) 5.405 17.845 ( -2.760 0.000 -4.537) 5.311 18.630 ( -0.322 0.000 0.468) 0.568 18.633 ( -0.075 0.000 -0.018) 0.077 18.760 ( -0.820 0.000 3.403) 3.500 18.836 ( 0.417 0.000 -4.561) 4.580 19.341 ( -1.462 0.000 1.463) 2.068 19.363 ( 1.620 0.000 -0.822) 1.816 19.505 ( 2.591 0.000 3.948) 4.722 19.567 ( -1.448 0.000 -2.677) 3.044 19.845 ( -1.817 0.000 -0.325) 1.846 19.845 ( 2.108 0.000 -0.489) 2.164 20.641 ( 2.153 0.000 4.377) 4.878 20.713 ( 7.899 0.000 2.293) 8.225 20.750 ( -2.811 0.000 -3.783) 4.713 20.782 ( -6.459 0.000 -1.768) 6.696 20.979 ( 6.322 0.000 1.778) 6.567 21.041 ( -4.351 0.000 -4.688) 6.396 21.527 ( -1.929 0.000 3.301) 3.824 21.580 ( 2.290 0.000 -2.322) 3.261 22.431 ( 1.735 0.000 1.255) 2.141 22.455 ( -1.910 0.000 -1.279) 2.299 22.493 ( -0.495 0.000 1.038) 1.150 22.511 ( 0.040 0.000 -0.824) 0.825 ======================= Grid point 71 (35/54) ======================= q-point: ( 0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( -6.776 0.000 15.937) 17.318 0.949 ( -3.955 0.000 -8.671) 9.530 1.334 ( 10.592 0.000 0.173) 10.593 1.412 ( 10.954 0.000 16.396) 19.718 1.521 ( 6.615 0.000 -18.909) 20.032 1.677 ( 15.907 0.000 -3.719) 16.336 1.904 ( 3.936 0.000 -11.002) 11.685 1.963 ( 10.458 0.000 17.505) 20.391 2.003 ( 3.584 0.000 2.360) 4.291 2.095 ( 1.654 0.000 -2.113) 2.683 2.198 ( -2.637 0.000 -6.730) 7.228 2.313 ( 5.728 0.000 -2.825) 6.387 2.469 ( -0.477 0.000 -3.806) 3.836 2.558 ( -0.937 0.000 0.062) 0.939 2.565 ( -3.815 0.000 1.164) 3.989 2.649 ( 7.645 0.000 4.006) 8.631 2.733 ( 1.837 0.000 1.888) 2.634 2.745 ( 4.378 0.000 -1.891) 4.769 2.832 ( 7.952 0.000 1.275) 8.053 2.845 ( 1.070 0.000 -0.020) 1.070 2.866 ( -0.062 0.000 18.289) 18.289 3.019 ( 1.860 0.000 -3.106) 3.620 3.110 ( -2.490 0.000 -2.863) 3.794 3.128 ( 6.817 0.000 -4.816) 8.347 3.144 ( 0.953 0.000 5.329) 5.414 3.190 ( -1.015 0.000 -4.576) 4.687 3.205 ( 0.647 0.000 -3.369) 3.430 3.245 ( -1.659 0.000 -2.465) 2.971 3.339 ( -2.062 0.000 -0.509) 2.124 3.377 ( -0.001 0.000 -2.217) 2.217 3.464 ( -4.054 0.000 4.252) 5.875 3.497 ( -3.718 0.000 0.875) 3.819 3.516 ( 0.972 0.000 -3.591) 3.720 3.593 ( 5.138 0.000 6.701) 8.444 3.606 ( -3.826 0.000 -2.501) 4.571 3.654 ( 6.947 0.000 0.835) 6.997 3.698 ( 5.764 0.000 -5.237) 7.788 3.817 ( 3.028 0.000 5.955) 6.681 3.898 ( 3.647 0.000 -8.050) 8.837 3.953 ( -2.417 0.000 -2.964) 3.824 3.998 ( -1.190 0.000 -0.546) 1.309 4.071 ( 3.770 0.000 2.366) 4.451 4.247 ( -1.693 0.000 -0.766) 1.858 4.258 ( 1.247 0.000 -4.678) 4.842 4.396 ( -0.224 0.000 3.121) 3.129 4.444 ( -0.377 0.000 1.754) 1.794 4.471 ( -6.007 0.000 -2.594) 6.543 4.517 ( -0.043 0.000 3.778) 3.778 4.706 ( -0.779 0.000 13.595) 13.617 4.769 ( -0.920 0.000 0.177) 0.936 4.792 ( 3.460 0.000 -1.687) 3.849 4.827 ( -0.522 0.000 -15.145) 15.154 5.031 ( 3.322 0.000 4.411) 5.522 5.046 ( 6.832 0.000 0.631) 6.861 5.228 ( -9.720 0.000 2.783) 10.111 5.255 ( -4.873 0.000 0.811) 4.940 5.328 ( -16.885 0.000 -3.700) 17.286 5.399 ( -2.244 0.000 -4.838) 5.333 5.492 ( -2.281 0.000 1.224) 2.589 5.504 ( 2.715 0.000 1.034) 2.905 5.627 ( 1.358 0.000 -1.287) 1.871 5.683 ( -3.800 0.000 1.503) 4.087 5.724 ( -5.914 0.000 -7.520) 9.567 5.870 ( -1.144 0.000 6.083) 6.190 5.962 ( -0.432 0.000 -4.419) 4.440 5.993 ( -4.363 0.000 1.909) 4.762 6.036 ( -4.162 0.000 1.448) 4.406 6.090 ( 1.601 0.000 -2.915) 3.326 6.102 ( 0.320 0.000 3.966) 3.979 6.285 ( 0.744 0.000 3.465) 3.543 6.470 ( -0.378 0.000 0.260) 0.459 6.488 ( -0.090 0.000 0.525) 0.533 6.604 ( 4.861 0.000 1.030) 4.969 6.665 ( -3.992 0.000 -2.084) 4.503 6.698 ( 1.900 0.000 -0.313) 1.925 6.736 ( -1.960 0.000 2.618) 3.270 6.907 ( -10.099 0.000 -1.384) 10.194 6.954 ( 0.120 0.000 1.455) 1.460 7.037 ( 0.455 0.000 1.345) 1.420 7.126 ( -6.161 0.000 2.155) 6.527 7.218 ( -5.235 0.000 2.911) 5.990 7.484 ( 3.287 0.000 -3.502) 4.803 7.592 ( -1.427 0.000 -0.294) 1.457 7.638 ( 4.526 0.000 -2.539) 5.189 7.730 ( 8.095 0.000 3.756) 8.924 7.803 ( 3.235 0.000 -3.009) 4.418 7.930 ( 2.412 0.000 2.064) 3.174 8.024 ( 5.447 0.000 -1.191) 5.576 8.104 ( 0.645 0.000 -2.240) 2.331 8.165 ( 3.493 0.000 0.872) 3.600 8.274 ( -9.047 0.000 4.648) 10.171 8.384 ( -5.551 0.000 -0.717) 5.597 8.612 ( 1.738 0.000 3.594) 3.992 8.797 ( 11.540 0.000 -1.907) 11.696 8.845 ( 6.210 0.000 0.128) 6.211 8.936 ( 3.132 0.000 -0.597) 3.189 8.991 ( -0.615 0.000 -5.098) 5.135 9.037 ( 2.433 0.000 1.096) 2.669 9.093 ( -2.403 0.000 2.785) 3.678 9.149 ( -4.595 0.000 0.794) 4.663 9.333 ( -10.580 0.000 -4.009) 11.314 9.354 ( -1.043 0.000 5.379) 5.480 9.484 ( 1.355 0.000 -2.763) 3.077 9.637 ( 1.789 0.000 -2.979) 3.475 9.659 ( 2.806 0.000 -5.137) 5.853 9.665 ( 7.051 0.000 4.543) 8.388 9.892 ( 3.214 0.000 3.907) 5.059 9.896 ( -0.530 0.000 6.195) 6.218 9.947 ( 0.218 0.000 -3.334) 3.342 10.061 ( -0.542 0.000 -2.577) 2.634 10.077 ( -3.173 0.000 4.867) 5.810 10.086 ( 0.516 0.000 2.313) 2.370 10.285 ( 1.487 0.000 -6.002) 6.183 10.310 ( -3.663 0.000 -1.296) 3.886 10.379 ( 4.928 0.000 3.526) 6.060 10.382 ( 5.043 0.000 -2.943) 5.839 10.512 ( 2.371 0.000 1.256) 2.683 10.586 ( 1.076 0.000 -2.145) 2.399 10.611 ( -3.193 0.000 -2.689) 4.175 10.774 ( -4.660 0.000 2.800) 5.437 10.878 ( 0.414 0.000 -2.322) 2.359 10.906 ( 7.947 0.000 -2.665) 8.382 11.043 ( -2.495 0.000 -0.132) 2.499 11.075 ( -1.201 0.000 3.615) 3.809 11.159 ( -0.678 0.000 4.313) 4.366 11.194 ( 3.332 0.000 -0.112) 3.334 11.313 ( -3.010 0.000 -3.829) 4.870 11.406 ( 0.641 0.000 -2.259) 2.348 11.703 ( -4.838 0.000 -2.005) 5.237 11.749 ( -2.174 0.000 -1.691) 2.754 11.783 ( -0.434 0.000 1.472) 1.535 11.794 ( 1.960 0.000 6.595) 6.880 11.985 ( -2.901 0.000 1.656) 3.340 12.124 ( 0.594 0.000 -5.423) 5.455 12.312 ( 3.327 0.000 9.865) 10.411 12.459 ( 4.012 0.000 -8.220) 9.147 12.661 ( -4.471 0.000 -2.373) 5.062 12.867 ( 3.126 0.000 -3.253) 4.511 13.296 ( 4.657 0.000 4.659) 6.588 13.407 ( 9.593 0.000 -5.961) 11.294 13.947 ( -3.041 0.000 -3.334) 4.513 14.026 ( 1.088 0.000 3.165) 3.347 14.316 ( -1.111 0.000 11.754) 11.806 14.317 ( -4.369 0.000 -1.857) 4.747 14.340 ( -3.783 0.000 -2.218) 4.385 14.487 ( 3.335 0.000 -7.518) 8.224 14.946 ( 0.317 0.000 2.453) 2.473 14.957 ( -0.208 0.000 0.149) 0.256 15.053 ( -1.838 0.000 0.658) 1.952 15.057 ( -0.187 0.000 -1.162) 1.177 15.372 ( -3.161 0.000 5.851) 6.650 15.479 ( 0.206 0.000 -1.681) 1.693 17.104 ( -3.194 0.000 2.002) 3.770 17.282 ( -2.428 0.000 -0.271) 2.443 17.382 ( 8.478 0.000 -3.364) 9.121 17.408 ( 3.080 0.000 1.725) 3.530 17.852 ( 6.281 0.000 -3.663) 7.271 17.914 ( 10.131 0.000 5.132) 11.357 18.672 ( 3.388 0.000 0.959) 3.522 18.692 ( 6.581 0.000 -0.706) 6.619 18.770 ( -0.709 0.000 3.820) 3.885 18.821 ( 0.809 0.000 -3.366) 3.462 19.336 ( 0.410 0.000 0.627) 0.749 19.385 ( 0.959 0.000 -0.917) 1.327 19.516 ( -1.690 0.000 -4.316) 4.635 19.569 ( 1.267 0.000 2.560) 2.856 19.788 ( -3.065 0.000 -0.298) 3.079 19.858 ( -0.272 0.000 -0.517) 0.584 20.542 ( -10.490 0.000 -1.911) 10.662 20.600 ( -8.305 0.000 -6.812) 10.741 20.748 ( 0.599 0.000 1.610) 1.718 20.784 ( -4.223 0.000 5.359) 6.823 20.935 ( -1.865 0.000 -4.366) 4.748 21.074 ( 2.325 0.000 1.416) 2.722 21.405 ( -12.411 0.000 6.441) 13.983 21.531 ( -5.258 0.000 -4.694) 7.048 22.431 ( 0.522 0.000 -0.854) 1.001 22.486 ( 3.293 0.000 1.174) 3.496 22.522 ( 1.169 0.000 -0.324) 1.213 22.526 ( 2.541 0.000 0.540) 2.598 ======================= Grid point 72 (36/54) ======================= q-point: ( 0.29 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( 4.803 0.000 10.229) 11.301 0.970 ( 10.509 0.000 -1.027) 10.559 1.442 ( 6.009 0.000 -4.926) 7.770 1.642 ( 14.952 0.000 -10.174) 18.085 1.729 ( 12.505 0.000 -2.052) 12.672 1.844 ( 6.308 0.000 9.205) 11.159 1.892 ( -4.080 0.000 1.291) 4.279 2.110 ( 10.048 0.000 2.047) 10.255 2.145 ( 2.245 0.000 -2.147) 3.107 2.237 ( 3.915 0.000 5.469) 6.726 2.249 ( 12.213 0.000 -0.938) 12.249 2.414 ( 4.629 0.000 -0.812) 4.700 2.468 ( -2.901 0.000 2.189) 3.634 2.472 ( -0.444 0.000 1.424) 1.492 2.600 ( 4.061 0.000 1.623) 4.373 2.744 ( -8.581 0.000 0.134) 8.582 2.760 ( 2.774 0.000 0.458) 2.812 2.773 ( 1.045 0.000 -3.925) 4.062 2.781 ( -11.660 0.000 5.366) 12.836 2.845 ( 8.812 0.000 -0.257) 8.816 3.026 ( -8.139 0.000 3.803) 8.984 3.076 ( 5.135 0.000 -0.964) 5.225 3.095 ( 8.418 0.000 -7.651) 11.376 3.144 ( 1.387 0.000 -4.220) 4.442 3.150 ( 0.589 0.000 2.180) 2.258 3.227 ( 6.104 0.000 -3.845) 7.214 3.245 ( -0.648 0.000 0.144) 0.664 3.296 ( -1.603 0.000 8.475) 8.625 3.382 ( 9.125 0.000 9.359) 13.071 3.387 ( 7.307 0.000 -9.956) 12.350 3.445 ( 1.816 0.000 0.483) 1.879 3.487 ( 0.297 0.000 1.728) 1.753 3.500 ( 0.648 0.000 -3.454) 3.514 3.559 ( -0.961 0.000 1.675) 1.931 3.723 ( 6.628 0.000 -2.275) 7.008 3.757 ( 3.402 0.000 -0.451) 3.432 3.792 ( 7.902 0.000 4.363) 9.027 3.839 ( -3.665 0.000 -2.810) 4.618 3.910 ( 4.166 0.000 2.078) 4.655 3.960 ( 3.909 0.000 -4.576) 6.018 4.050 ( 5.190 0.000 -0.630) 5.228 4.103 ( -1.361 0.000 0.822) 1.590 4.189 ( -3.945 0.000 -7.642) 8.600 4.212 ( -2.974 0.000 -1.639) 3.395 4.353 ( 1.391 0.000 -4.555) 4.763 4.443 ( 0.202 0.000 6.401) 6.404 4.470 ( -2.534 0.000 0.055) 2.535 4.527 ( 2.114 0.000 1.755) 2.748 4.693 ( -5.929 0.000 -6.651) 8.910 4.750 ( -0.901 0.000 -0.397) 0.984 4.807 ( 1.916 0.000 12.853) 12.995 4.861 ( 5.001 0.000 -1.761) 5.302 4.898 ( -17.333 0.000 -3.072) 17.603 5.105 ( -8.144 0.000 8.327) 11.647 5.117 ( -6.436 0.000 -0.328) 6.444 5.138 ( 1.885 0.000 1.882) 2.664 5.235 ( 5.333 0.000 -0.504) 5.356 5.341 ( 1.251 0.000 -4.911) 5.068 5.371 ( -8.012 0.000 -2.388) 8.360 5.517 ( -4.701 0.000 1.889) 5.066 5.529 ( -5.956 0.000 -4.587) 7.517 5.668 ( 0.647 0.000 -1.462) 1.599 5.706 ( 4.951 0.000 0.806) 5.016 5.865 ( -7.579 0.000 -2.340) 7.932 5.865 ( -0.227 0.000 -1.036) 1.061 5.906 ( -4.912 0.000 0.592) 4.947 5.968 ( -2.547 0.000 -0.991) 2.733 6.084 ( -4.488 0.000 5.074) 6.774 6.178 ( 5.526 0.000 -1.159) 5.646 6.225 ( -6.538 0.000 5.957) 8.845 6.459 ( -1.829 0.000 -2.625) 3.199 6.470 ( -3.170 0.000 0.945) 3.308 6.624 ( 0.826 0.000 1.171) 1.433 6.635 ( -6.721 0.000 2.168) 7.062 6.717 ( 1.186 0.000 -2.015) 2.338 6.756 ( 4.503 0.000 1.379) 4.709 6.797 ( 0.738 0.000 -2.484) 2.592 6.970 ( 0.546 0.000 0.944) 1.090 7.000 ( -2.321 0.000 2.147) 3.161 7.101 ( -7.178 0.000 -1.148) 7.270 7.177 ( 5.472 0.000 4.665) 7.191 7.421 ( -5.101 0.000 -1.567) 5.336 7.541 ( -2.788 0.000 -0.846) 2.914 7.682 ( 0.145 0.000 -1.233) 1.241 7.869 ( 4.415 0.000 0.623) 4.459 7.901 ( 7.746 0.000 0.433) 7.758 7.954 ( -0.762 0.000 1.717) 1.878 8.069 ( 2.818 0.000 -2.609) 3.841 8.174 ( 5.929 0.000 -4.302) 7.325 8.193 ( -2.712 0.000 5.387) 6.031 8.274 ( 5.342 0.000 1.354) 5.511 8.335 ( -0.418 0.000 1.157) 1.230 8.674 ( 0.559 0.000 5.380) 5.409 8.828 ( -3.948 0.000 -0.318) 3.961 8.924 ( 2.382 0.000 1.346) 2.737 8.964 ( 2.485 0.000 -1.312) 2.810 9.011 ( 3.576 0.000 0.546) 3.617 9.016 ( -4.235 0.000 -3.085) 5.239 9.146 ( 2.253 0.000 2.493) 3.360 9.192 ( 6.629 0.000 -0.302) 6.636 9.205 ( 0.174 0.000 1.175) 1.188 9.355 ( -1.046 0.000 -0.024) 1.046 9.527 ( 4.775 0.000 -3.418) 5.872 9.571 ( -1.192 0.000 -8.607) 8.689 9.715 ( 1.700 0.000 3.217) 3.638 9.778 ( -0.960 0.000 1.104) 1.463 9.895 ( -1.043 0.000 9.596) 9.652 9.945 ( -1.577 0.000 2.223) 2.725 9.954 ( -0.896 0.000 3.691) 3.799 10.018 ( 0.333 0.000 -3.424) 3.440 10.092 ( 2.908 0.000 1.576) 3.307 10.147 ( 4.187 0.000 -1.101) 4.329 10.186 ( -6.276 0.000 -2.427) 6.729 10.290 ( 3.517 0.000 -3.663) 5.078 10.402 ( -1.487 0.000 -0.727) 1.655 10.501 ( 6.938 0.000 0.617) 6.965 10.540 ( 0.376 0.000 -1.295) 1.349 10.550 ( -2.825 0.000 -4.018) 4.911 10.686 ( -4.921 0.000 3.683) 6.147 10.698 ( 5.970 0.000 7.192) 9.347 10.886 ( 2.620 0.000 -1.497) 3.018 10.906 ( -4.289 0.000 -1.101) 4.429 11.051 ( 2.900 0.000 -4.631) 5.464 11.060 ( -1.860 0.000 0.958) 2.092 11.126 ( -4.849 0.000 3.312) 5.872 11.257 ( 1.866 0.000 1.081) 2.156 11.261 ( -1.128 0.000 -1.849) 2.166 11.367 ( -0.573 0.000 -8.289) 8.309 11.630 ( -2.286 0.000 2.205) 3.176 11.711 ( -1.285 0.000 -0.231) 1.306 11.771 ( -1.822 0.000 2.532) 3.120 11.874 ( 1.830 0.000 1.298) 2.244 11.948 ( -2.403 0.000 5.588) 6.082 12.108 ( 2.066 0.000 -6.773) 7.081 12.419 ( 0.647 0.000 9.918) 9.939 12.456 ( -1.677 0.000 1.745) 2.420 12.616 ( 3.814 0.000 -9.007) 9.781 12.858 ( -0.966 0.000 -5.344) 5.430 13.434 ( 5.369 0.000 5.468) 7.664 13.560 ( 10.196 0.000 -5.257) 11.471 13.874 ( -1.270 0.000 -5.534) 5.678 14.062 ( 0.807 0.000 3.545) 3.636 14.195 ( -6.639 0.000 -3.531) 7.520 14.260 ( -3.019 0.000 -1.965) 3.602 14.355 ( -2.244 0.000 9.900) 10.151 14.492 ( 2.168 0.000 -6.866) 7.200 14.950 ( -2.105 0.000 3.496) 4.081 14.953 ( -0.605 0.000 0.936) 1.115 15.037 ( -0.355 0.000 1.219) 1.269 15.051 ( 0.905 0.000 -2.415) 2.579 15.376 ( -0.796 0.000 5.077) 5.139 15.465 ( 0.189 0.000 -2.623) 2.629 17.091 ( -1.334 0.000 5.159) 5.329 17.231 ( -1.758 0.000 -1.755) 2.484 17.483 ( 3.553 0.000 1.543) 3.874 17.499 ( 5.508 0.000 -2.459) 6.032 18.015 ( 12.549 0.000 -0.944) 12.584 18.152 ( 11.294 0.000 4.342) 12.099 18.706 ( -2.200 0.000 0.554) 2.268 18.751 ( -3.281 0.000 3.217) 4.595 18.853 ( 4.284 0.000 0.949) 4.387 18.854 ( 10.315 0.000 -3.303) 10.831 19.357 ( 0.927 0.000 -0.893) 1.287 19.377 ( -0.938 0.000 -1.556) 1.817 19.472 ( 1.289 0.000 -3.800) 4.012 19.550 ( -4.460 0.000 3.358) 5.583 19.786 ( 2.749 0.000 -0.181) 2.755 19.838 ( -1.073 0.000 -1.082) 1.524 20.345 ( -6.795 0.000 -7.416) 10.059 20.362 ( -12.126 0.000 -6.157) 13.600 20.701 ( -6.000 0.000 4.202) 7.325 20.748 ( -1.479 0.000 0.528) 1.570 20.918 ( 0.281 0.000 0.624) 0.685 21.081 ( -1.299 0.000 -0.772) 1.511 21.209 ( -13.401 0.000 9.608) 16.489 21.359 ( -7.427 0.000 -7.692) 10.693 22.463 ( 2.741 0.000 0.283) 2.755 22.541 ( 0.823 0.000 0.346) 0.893 22.553 ( 2.895 0.000 0.348) 2.916 22.567 ( 1.630 0.000 -0.523) 1.712 ======================= Grid point 73 (37/54) ======================= q-point: ( 0.43 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 4.725 0.000 7.787) 9.108 1.199 ( 9.191 0.000 2.612) 9.555 1.580 ( 12.598 0.000 -4.623) 13.419 1.737 ( -11.644 0.000 2.310) 11.871 1.886 ( 15.425 0.000 -7.664) 17.224 1.904 ( 19.221 0.000 -10.264) 21.790 2.051 ( -14.566 0.000 4.043) 15.117 2.091 ( -17.071 0.000 5.501) 17.935 2.175 ( 12.422 0.000 13.329) 18.220 2.364 ( 11.731 0.000 0.288) 11.734 2.406 ( 5.188 0.000 0.905) 5.266 2.446 ( 2.853 0.000 -1.803) 3.375 2.474 ( -0.868 0.000 1.436) 1.678 2.531 ( -2.765 0.000 5.903) 6.519 2.617 ( -4.710 0.000 2.160) 5.181 2.651 ( 2.736 0.000 1.152) 2.969 2.713 ( 1.118 0.000 3.238) 3.426 2.766 ( 1.038 0.000 -0.803) 1.312 2.801 ( -4.037 0.000 -2.736) 4.877 2.865 ( -2.152 0.000 3.047) 3.731 2.956 ( 1.459 0.000 -4.933) 5.145 3.054 ( -2.289 0.000 5.163) 5.648 3.107 ( -1.735 0.000 -10.284) 10.429 3.139 ( -0.095 0.000 -1.517) 1.520 3.199 ( -0.831 0.000 5.425) 5.488 3.231 ( 0.930 0.000 -1.502) 1.766 3.274 ( -0.013 0.000 -0.718) 0.718 3.316 ( 1.156 0.000 -2.795) 3.024 3.445 ( 6.293 0.000 -3.552) 7.226 3.454 ( -0.042 0.000 4.606) 4.606 3.514 ( 1.080 0.000 2.368) 2.603 3.538 ( 1.458 0.000 -0.932) 1.730 3.639 ( 9.317 0.000 -3.207) 9.853 3.656 ( 7.352 0.000 0.262) 7.357 3.750 ( -2.277 0.000 -2.208) 3.171 3.750 ( -3.892 0.000 -3.985) 5.570 3.805 ( 4.077 0.000 -3.289) 5.238 3.921 ( -5.522 0.000 0.410) 5.537 3.946 ( -3.735 0.000 -3.047) 4.820 3.999 ( 3.460 0.000 -3.444) 4.882 4.036 ( -8.671 0.000 8.661) 12.256 4.069 ( 2.164 0.000 -4.020) 4.565 4.174 ( 8.811 0.000 -4.739) 10.005 4.213 ( 2.213 0.000 5.383) 5.820 4.342 ( 2.207 0.000 -1.159) 2.493 4.387 ( 1.338 0.000 -1.764) 2.214 4.486 ( -7.905 0.000 -5.253) 9.491 4.501 ( 3.072 0.000 -0.015) 3.072 4.679 ( 10.857 0.000 3.974) 11.561 4.779 ( 7.056 0.000 -2.777) 7.582 4.813 ( 3.100 0.000 5.577) 6.381 4.849 ( -6.604 0.000 3.146) 7.315 4.896 ( -12.338 0.000 3.636) 12.862 4.972 ( -1.535 0.000 2.301) 2.766 5.020 ( -5.949 0.000 5.048) 7.802 5.069 ( -6.935 0.000 -2.695) 7.441 5.192 ( 1.565 0.000 4.879) 5.124 5.368 ( 3.391 0.000 -2.883) 4.451 5.377 ( -1.753 0.000 -6.105) 6.352 5.447 ( -2.558 0.000 3.103) 4.021 5.494 ( 5.569 0.000 -2.439) 6.079 5.602 ( -5.949 0.000 -2.261) 6.364 5.675 ( -5.238 0.000 -3.189) 6.132 5.803 ( -4.993 0.000 -2.808) 5.728 5.819 ( 4.872 0.000 1.289) 5.039 5.893 ( -1.215 0.000 -1.322) 1.796 5.962 ( 4.509 0.000 0.575) 4.545 6.025 ( -4.913 0.000 4.067) 6.377 6.160 ( -5.471 0.000 7.574) 9.343 6.236 ( 2.984 0.000 -3.978) 4.973 6.397 ( -0.781 0.000 -2.520) 2.638 6.406 ( -3.362 0.000 0.564) 3.409 6.593 ( -0.674 0.000 3.801) 3.860 6.661 ( 1.086 0.000 0.695) 1.289 6.725 ( 0.664 0.000 -2.602) 2.685 6.726 ( -0.760 0.000 -1.512) 1.693 6.882 ( 2.021 0.000 1.552) 2.548 6.975 ( -0.675 0.000 -0.977) 1.187 6.978 ( -3.724 0.000 -1.371) 3.969 6.999 ( 1.677 0.000 -2.128) 2.710 7.313 ( 3.362 0.000 9.219) 9.813 7.347 ( -2.540 0.000 3.593) 4.400 7.495 ( -0.749 0.000 -1.937) 2.077 7.630 ( -3.443 0.000 -4.228) 5.453 7.944 ( 0.753 0.000 5.891) 5.939 7.976 ( 2.931 0.000 -0.108) 2.933 7.988 ( 0.653 0.000 1.458) 1.597 8.101 ( 2.939 0.000 -6.443) 7.081 8.193 ( -1.753 0.000 5.568) 5.837 8.237 ( 3.994 0.000 -2.703) 4.823 8.347 ( 2.084 0.000 -0.770) 2.222 8.357 ( 1.746 0.000 -0.793) 1.918 8.713 ( 0.831 0.000 5.172) 5.239 8.773 ( -2.564 0.000 1.993) 3.248 8.872 ( -5.279 0.000 1.721) 5.552 8.960 ( -0.651 0.000 -3.976) 4.029 9.028 ( 3.412 0.000 0.317) 3.427 9.079 ( 2.706 0.000 -1.863) 3.285 9.221 ( 2.980 0.000 2.067) 3.627 9.256 ( 1.208 0.000 -1.173) 1.684 9.261 ( 2.380 0.000 4.264) 4.883 9.364 ( 2.639 0.000 0.912) 2.792 9.496 ( -2.056 0.000 -7.040) 7.334 9.574 ( 1.737 0.000 -6.520) 6.748 9.717 ( -3.913 0.000 4.914) 6.282 9.729 ( -1.897 0.000 1.399) 2.357 9.846 ( -3.690 0.000 2.270) 4.333 9.922 ( 0.372 0.000 -4.312) 4.328 10.033 ( 2.589 0.000 -0.335) 2.611 10.068 ( -2.132 0.000 8.836) 9.090 10.093 ( 2.133 0.000 6.438) 6.782 10.155 ( 2.256 0.000 -1.646) 2.793 10.175 ( 0.860 0.000 -2.942) 3.065 10.372 ( 5.293 0.000 -5.122) 7.366 10.375 ( -0.126 0.000 -0.883) 0.892 10.460 ( -2.144 0.000 -2.414) 3.229 10.518 ( -5.551 0.000 0.063) 5.552 10.531 ( -0.486 0.000 -0.984) 1.098 10.740 ( 6.045 0.000 4.880) 7.769 10.803 ( 1.909 0.000 4.331) 4.733 10.837 ( -1.607 0.000 2.136) 2.673 10.922 ( -0.731 0.000 -0.555) 0.918 11.019 ( -2.897 0.000 -1.348) 3.196 11.053 ( 1.459 0.000 -6.355) 6.521 11.087 ( -0.445 0.000 4.893) 4.914 11.233 ( -0.759 0.000 0.221) 0.791 11.243 ( -4.152 0.000 3.087) 5.174 11.318 ( 2.721 0.000 -13.680) 13.948 11.634 ( -0.186 0.000 4.279) 4.283 11.697 ( -0.173 0.000 -0.322) 0.366 11.760 ( -1.025 0.000 3.239) 3.397 11.854 ( -0.725 0.000 -3.986) 4.051 11.971 ( -2.328 0.000 8.573) 8.884 12.114 ( 3.406 0.000 -7.541) 8.274 12.451 ( -3.801 0.000 9.596) 10.321 12.484 ( 2.548 0.000 6.895) 7.351 12.648 ( 5.728 0.000 -10.848) 12.267 12.780 ( -2.330 0.000 -8.158) 8.485 13.533 ( 1.616 0.000 5.427) 5.662 13.675 ( 4.560 0.000 -5.566) 7.195 13.864 ( 4.159 0.000 -2.954) 5.101 14.030 ( -8.733 0.000 -2.715) 9.145 14.110 ( 1.581 0.000 3.544) 3.881 14.206 ( -1.692 0.000 -1.749) 2.433 14.364 ( -2.525 0.000 7.547) 7.958 14.489 ( 2.756 0.000 -7.288) 7.792 14.924 ( -3.248 0.000 4.995) 5.958 14.950 ( -0.141 0.000 0.895) 0.906 15.042 ( -0.130 0.000 0.486) 0.503 15.059 ( 1.461 0.000 -2.600) 2.982 15.390 ( -1.238 0.000 4.379) 4.550 15.459 ( 0.999 0.000 -2.805) 2.978 17.106 ( -0.814 0.000 5.683) 5.741 17.204 ( 0.535 0.000 -2.873) 2.923 17.537 ( 1.097 0.000 0.999) 1.484 17.556 ( 2.291 0.000 -1.739) 2.877 18.278 ( 14.934 0.000 -0.005) 14.934 18.337 ( 3.885 0.000 4.131) 5.671 18.616 ( -7.116 0.000 1.961) 7.381 18.671 ( -4.986 0.000 -0.581) 5.020 18.935 ( 1.367 0.000 3.707) 3.951 19.006 ( 8.260 0.000 -6.163) 10.306 19.339 ( -0.616 0.000 -2.321) 2.401 19.343 ( -1.186 0.000 -1.487) 1.902 19.505 ( -2.989 0.000 5.141) 5.947 19.547 ( 7.544 0.000 -2.435) 7.927 19.817 ( -0.260 0.000 -0.662) 0.711 19.830 ( 1.139 0.000 -0.383) 1.201 20.116 ( -10.819 0.000 -1.491) 10.921 20.204 ( -2.217 0.000 -10.087) 10.328 20.638 ( -3.823 0.000 4.837) 6.165 20.713 ( -0.989 0.000 -2.116) 2.335 20.939 ( 0.479 0.000 2.740) 2.782 21.041 ( -1.426 0.000 -2.691) 3.046 21.068 ( -7.527 0.000 10.193) 12.671 21.217 ( -1.554 0.000 -7.338) 7.501 22.517 ( 2.212 0.000 1.081) 2.462 22.559 ( 0.672 0.000 0.986) 1.193 22.573 ( -0.481 0.000 -0.840) 0.968 22.588 ( 0.902 0.000 -0.891) 1.268 ======================= Grid point 74 (38/54) ======================= q-point: (-0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( -3.480 0.000 2.572) 4.327 1.278 ( 0.435 0.000 -4.947) 4.966 1.507 ( -14.042 0.000 1.019) 14.079 1.741 ( -16.586 0.000 4.818) 17.271 1.752 ( -16.826 0.000 7.059) 18.246 1.818 ( 9.148 0.000 -2.419) 9.462 2.153 ( 9.493 0.000 -6.629) 11.578 2.180 ( 15.759 0.000 -4.482) 16.384 2.348 ( -3.545 0.000 2.525) 4.353 2.373 ( -7.659 0.000 -6.062) 9.767 2.413 ( -1.147 0.000 1.339) 1.763 2.439 ( -2.184 0.000 -1.187) 2.486 2.540 ( 0.034 0.000 -5.359) 5.359 2.557 ( 6.834 0.000 1.105) 6.923 2.607 ( 5.748 0.000 3.685) 6.828 2.631 ( -3.804 0.000 0.838) 3.895 2.723 ( -5.061 0.000 4.628) 6.858 2.763 ( 4.021 0.000 1.015) 4.147 2.818 ( -6.844 0.000 -7.005) 9.793 2.848 ( 2.271 0.000 5.185) 5.660 2.936 ( 0.464 0.000 3.489) 3.519 3.008 ( 1.219 0.000 -9.143) 9.224 3.079 ( -2.953 0.000 6.165) 6.836 3.166 ( 1.968 0.000 4.856) 5.239 3.207 ( 0.085 0.000 2.277) 2.279 3.209 ( -0.229 0.000 -9.292) 9.295 3.264 ( -2.541 0.000 0.665) 2.626 3.272 ( -6.268 0.000 2.447) 6.728 3.378 ( -11.750 0.000 2.964) 12.118 3.454 ( -6.826 0.000 6.475) 9.409 3.482 ( -2.463 0.000 2.744) 3.687 3.581 ( -1.194 0.000 4.804) 4.950 3.589 ( 0.570 0.000 4.064) 4.104 3.653 ( 0.962 0.000 -2.757) 2.920 3.701 ( -1.835 0.000 -8.395) 8.593 3.742 ( -4.367 0.000 -3.733) 5.745 3.808 ( 1.934 0.000 -2.994) 3.564 3.871 ( -2.163 0.000 6.018) 6.395 3.910 ( 6.494 0.000 0.963) 6.565 3.994 ( -1.548 0.000 1.303) 2.023 4.036 ( 5.150 0.000 -4.608) 6.911 4.205 ( 6.666 0.000 -9.461) 11.573 4.247 ( -0.033 0.000 -1.725) 1.726 4.263 ( -0.345 0.000 -7.182) 7.190 4.357 ( -2.029 0.000 1.831) 2.733 4.380 ( -10.222 0.000 -1.810) 10.381 4.405 ( -0.930 0.000 3.507) 3.628 4.458 ( 3.290 0.000 1.951) 3.825 4.660 ( -0.262 0.000 -1.655) 1.675 4.785 ( -4.962 0.000 1.402) 5.156 4.877 ( 1.260 0.000 -0.463) 1.343 4.904 ( -4.346 0.000 -3.160) 5.373 4.916 ( 3.581 0.000 6.288) 7.237 4.983 ( 12.025 0.000 -0.799) 12.051 5.053 ( 11.445 0.000 2.496) 11.714 5.064 ( 3.482 0.000 -0.562) 3.527 5.254 ( 1.934 0.000 4.661) 5.047 5.291 ( -3.128 0.000 -4.002) 5.080 5.383 ( -0.827 0.000 -4.105) 4.187 5.419 ( -1.448 0.000 3.336) 3.637 5.470 ( -1.261 0.000 0.708) 1.446 5.583 ( 2.007 0.000 0.931) 2.212 5.701 ( -1.716 0.000 -5.838) 6.085 5.720 ( 7.416 0.000 3.579) 8.235 5.839 ( -3.523 0.000 -1.075) 3.683 5.874 ( -0.642 0.000 1.542) 1.670 5.955 ( -3.506 0.000 0.998) 3.645 6.075 ( 5.992 0.000 -0.412) 6.006 6.136 ( -1.199 0.000 5.380) 5.512 6.262 ( 2.528 0.000 -2.183) 3.340 6.383 ( 1.863 0.000 -1.740) 2.549 6.428 ( 4.574 0.000 -1.278) 4.749 6.627 ( 0.640 0.000 4.944) 4.985 6.658 ( -0.879 0.000 -1.968) 2.156 6.698 ( -0.936 0.000 -0.540) 1.080 6.710 ( -0.787 0.000 -1.598) 1.781 6.917 ( 1.695 0.000 3.542) 3.927 6.932 ( -2.281 0.000 -3.377) 4.076 6.957 ( 0.338 0.000 1.804) 1.836 7.012 ( 1.403 0.000 -3.463) 3.736 7.373 ( -0.948 0.000 2.995) 3.142 7.379 ( 2.176 0.000 5.421) 5.841 7.507 ( -6.072 0.000 -6.904) 9.194 7.523 ( 2.212 0.000 6.087) 6.476 7.964 ( -2.601 0.000 5.095) 5.721 7.971 ( -1.900 0.000 -0.250) 1.916 8.031 ( 2.577 0.000 -1.346) 2.908 8.072 ( -2.110 0.000 -5.412) 5.808 8.171 ( -4.103 0.000 4.443) 6.048 8.295 ( 3.948 0.000 -2.851) 4.870 8.349 ( -1.440 0.000 -3.592) 3.870 8.363 ( 0.632 0.000 -1.117) 1.283 8.760 ( -0.164 0.000 1.200) 1.211 8.760 ( 0.401 0.000 3.349) 3.373 8.864 ( 2.969 0.000 4.414) 5.319 8.930 ( 2.031 0.000 -4.253) 4.713 9.046 ( -2.743 0.000 1.701) 3.227 9.067 ( -2.312 0.000 -3.442) 4.147 9.242 ( -1.886 0.000 -0.778) 2.040 9.245 ( -1.094 0.000 0.489) 1.198 9.315 ( -0.812 0.000 5.069) 5.133 9.376 ( -3.495 0.000 -8.177) 8.893 9.437 ( -0.914 0.000 7.314) 7.371 9.512 ( -0.943 0.000 -6.486) 6.554 9.714 ( 1.482 0.000 2.814) 3.181 9.753 ( 1.782 0.000 2.051) 2.717 9.858 ( 2.593 0.000 2.425) 3.550 9.897 ( 1.218 0.000 -4.132) 4.308 10.022 ( -3.164 0.000 1.710) 3.597 10.090 ( 2.742 0.000 -0.402) 2.771 10.153 ( -0.436 0.000 -2.901) 2.934 10.162 ( -0.540 0.000 -1.866) 1.943 10.216 ( -0.607 0.000 12.488) 12.503 10.327 ( -4.769 0.000 -8.727) 9.945 10.393 ( -0.536 0.000 -3.122) 3.167 10.409 ( 3.807 0.000 1.207) 3.994 10.518 ( 4.064 0.000 0.034) 4.064 10.524 ( 0.608 0.000 -0.512) 0.795 10.796 ( -4.334 0.000 -0.989) 4.446 10.835 ( 0.238 0.000 1.057) 1.084 10.875 ( 1.776 0.000 4.998) 5.304 10.894 ( 0.013 0.000 0.073) 0.074 10.960 ( -2.224 0.000 0.568) 2.295 11.058 ( 4.208 0.000 -6.100) 7.411 11.116 ( -1.638 0.000 7.182) 7.367 11.184 ( -2.594 0.000 -0.184) 2.601 11.268 ( 4.120 0.000 0.344) 4.135 11.277 ( 1.284 0.000 -10.242) 10.322 11.664 ( 0.493 0.000 3.581) 3.615 11.692 ( 0.260 0.000 -2.052) 2.069 11.782 ( 0.979 0.000 3.605) 3.736 11.830 ( 0.792 0.000 -3.807) 3.888 11.966 ( -3.069 0.000 7.597) 8.193 12.128 ( 3.013 0.000 -7.807) 8.368 12.412 ( -6.522 0.000 9.402) 11.443 12.613 ( 6.273 0.000 3.985) 7.432 12.675 ( 3.678 0.000 -8.209) 8.996 12.690 ( -0.378 0.000 -10.144) 10.151 13.564 ( -2.818 0.000 5.713) 6.370 13.664 ( 0.153 0.000 -8.800) 8.801 13.853 ( -7.717 0.000 -1.107) 7.796 13.961 ( 4.434 0.000 4.227) 6.126 14.163 ( 2.008 0.000 2.657) 3.330 14.167 ( -1.237 0.000 -2.797) 3.058 14.372 ( -0.825 0.000 5.587) 5.647 14.504 ( 3.817 0.000 -7.542) 8.453 14.904 ( -2.480 0.000 6.049) 6.538 14.961 ( 0.553 0.000 1.025) 1.165 15.036 ( -0.517 0.000 0.159) 0.541 15.065 ( 0.805 0.000 -2.348) 2.482 15.384 ( -2.381 0.000 4.952) 5.495 15.460 ( 0.798 0.000 -2.787) 2.899 17.136 ( 0.669 0.000 4.384) 4.434 17.211 ( 2.598 0.000 -4.904) 5.550 17.533 ( -2.197 0.000 0.813) 2.343 17.564 ( -0.160 0.000 -1.950) 1.957 18.269 ( -11.898 0.000 1.447) 11.986 18.389 ( -6.745 0.000 -1.201) 6.851 18.621 ( 8.797 0.000 4.104) 9.707 18.650 ( 3.183 0.000 -1.331) 3.450 18.926 ( -4.331 0.000 2.361) 4.933 19.049 ( 1.042 0.000 -8.570) 8.633 19.326 ( 0.238 0.000 -0.731) 0.769 19.331 ( 0.864 0.000 -0.953) 1.286 19.486 ( -3.008 0.000 3.471) 4.593 19.636 ( 4.448 0.000 -8.816) 9.874 19.816 ( -1.389 0.000 -0.336) 1.429 19.824 ( -0.246 0.000 0.650) 0.695 19.992 ( -3.758 0.000 10.848) 11.481 20.168 ( 4.752 0.000 -5.896) 7.572 20.638 ( 0.676 0.000 5.991) 6.029 20.706 ( 1.923 0.000 -2.415) 3.087 20.964 ( 0.169 0.000 6.178) 6.180 20.995 ( -1.396 0.000 -3.126) 3.424 21.083 ( 2.299 0.000 6.325) 6.730 21.226 ( 7.048 0.000 -7.098) 10.003 22.538 ( -2.507 0.000 -1.144) 2.755 22.548 ( 0.110 0.000 1.628) 1.632 22.573 ( 0.019 0.000 0.814) 0.814 22.580 ( -0.819 0.000 -1.181) 1.437 ======================= Grid point 75 (39/54) ======================= q-point: (-0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( -18.717 0.000 -0.621) 18.727 1.165 ( -11.766 0.000 2.586) 12.046 1.267 ( -7.178 0.000 -3.529) 7.998 1.533 ( -7.171 0.000 10.355) 12.595 1.630 ( 0.650 0.000 -2.318) 2.407 1.956 ( 0.503 0.000 -4.137) 4.167 2.073 ( -9.460 0.000 -4.044) 10.288 2.108 ( -13.433 0.000 -0.002) 13.433 2.193 ( -8.266 0.000 -6.077) 10.260 2.229 ( -18.925 0.000 -0.045) 18.925 2.334 ( -1.017 0.000 -4.432) 4.547 2.447 ( -8.506 0.000 -1.829) 8.700 2.487 ( 6.777 0.000 -2.637) 7.272 2.539 ( -1.142 0.000 -5.072) 5.199 2.567 ( -9.633 0.000 6.131) 11.419 2.679 ( -0.551 0.000 0.869) 1.029 2.767 ( 1.436 0.000 2.641) 3.007 2.782 ( 6.785 0.000 -3.653) 7.706 2.802 ( 4.156 0.000 1.088) 4.296 2.838 ( -2.613 0.000 0.032) 2.613 2.878 ( -1.285 0.000 7.945) 8.048 3.075 ( 7.146 0.000 -1.591) 7.321 3.090 ( -0.126 0.000 2.960) 2.963 3.097 ( -3.078 0.000 -3.676) 4.794 3.172 ( -5.373 0.000 3.226) 6.267 3.218 ( -0.991 0.000 -3.703) 3.834 3.261 ( 2.665 0.000 0.999) 2.846 3.295 ( -4.497 0.000 0.466) 4.521 3.344 ( 5.174 0.000 5.128) 7.285 3.392 ( -2.252 0.000 6.587) 6.962 3.424 ( -3.800 0.000 2.250) 4.416 3.504 ( -5.673 0.000 2.108) 6.052 3.555 ( -1.753 0.000 -11.801) 11.930 3.611 ( 0.672 0.000 -1.263) 1.431 3.710 ( 0.255 0.000 0.796) 0.835 3.716 ( -2.602 0.000 10.645) 10.958 3.774 ( -3.279 0.000 -1.829) 3.755 3.824 ( -17.050 0.000 -7.971) 18.822 3.918 ( 2.905 0.000 1.213) 3.148 4.011 ( 2.692 0.000 -1.825) 3.252 4.046 ( 0.510 0.000 -6.601) 6.621 4.088 ( 2.865 0.000 4.238) 5.115 4.198 ( 2.119 0.000 -5.509) 5.902 4.215 ( -3.736 0.000 -3.943) 5.432 4.331 ( -2.715 0.000 -1.174) 2.958 4.384 ( 3.906 0.000 5.995) 7.156 4.506 ( 0.956 0.000 7.699) 7.758 4.518 ( 3.249 0.000 -1.512) 3.584 4.647 ( -3.641 0.000 -5.266) 6.402 4.815 ( -4.036 0.000 0.534) 4.071 4.819 ( 2.103 0.000 -4.060) 4.573 4.841 ( 10.210 0.000 2.236) 10.452 4.975 ( -0.667 0.000 2.564) 2.650 5.084 ( -4.529 0.000 -2.080) 4.983 5.175 ( 4.156 0.000 0.253) 4.164 5.196 ( 1.857 0.000 2.768) 3.333 5.227 ( 1.955 0.000 -5.456) 5.796 5.345 ( 0.230 0.000 -5.696) 5.701 5.372 ( 11.097 0.000 -2.132) 11.300 5.411 ( 4.459 0.000 7.097) 8.381 5.578 ( 3.291 0.000 -3.546) 4.838 5.636 ( 3.137 0.000 1.733) 3.584 5.735 ( -2.804 0.000 -1.248) 3.069 5.782 ( 8.882 0.000 5.130) 10.257 5.819 ( -4.621 0.000 2.624) 5.314 5.876 ( 5.729 0.000 3.671) 6.804 5.950 ( 1.475 0.000 1.692) 2.245 6.147 ( 2.432 0.000 -1.141) 2.686 6.151 ( -0.470 0.000 0.424) 0.633 6.311 ( 3.341 0.000 -2.300) 4.056 6.446 ( 5.603 0.000 -1.839) 5.897 6.501 ( 3.277 0.000 -2.074) 3.878 6.639 ( -0.981 0.000 -0.276) 1.019 6.643 ( 1.356 0.000 -1.122) 1.760 6.688 ( -0.998 0.000 1.601) 1.886 6.724 ( 2.367 0.000 4.422) 5.016 6.839 ( -4.527 0.000 -4.742) 6.555 6.999 ( 1.494 0.000 -0.231) 1.512 7.002 ( 3.456 0.000 1.458) 3.751 7.033 ( 5.334 0.000 3.518) 6.390 7.309 ( -9.059 0.000 -8.644) 12.521 7.366 ( -1.942 0.000 4.375) 4.787 7.475 ( 3.368 0.000 5.098) 6.110 7.596 ( -0.741 0.000 8.582) 8.614 7.902 ( -5.272 0.000 -2.437) 5.808 7.915 ( -3.684 0.000 -0.809) 3.772 8.009 ( -0.217 0.000 -2.653) 2.662 8.040 ( -0.288 0.000 -0.075) 0.298 8.099 ( -6.786 0.000 3.349) 7.567 8.280 ( -3.283 0.000 -2.336) 4.029 8.330 ( 2.476 0.000 -6.176) 6.654 8.374 ( 2.165 0.000 -2.546) 3.342 8.761 ( 1.054 0.000 -2.690) 2.889 8.790 ( 0.901 0.000 3.867) 3.971 8.936 ( -5.400 0.000 1.379) 5.574 8.949 ( -4.614 0.000 -0.808) 4.685 8.988 ( 1.168 0.000 2.714) 2.955 9.000 ( 2.600 0.000 -2.336) 3.495 9.182 ( -3.362 0.000 -1.310) 3.609 9.186 ( -5.760 0.000 0.618) 5.793 9.277 ( -0.005 0.000 -6.770) 6.770 9.347 ( 4.135 0.000 1.639) 4.448 9.439 ( -3.413 0.000 6.165) 7.047 9.499 ( 1.330 0.000 -0.776) 1.540 9.752 ( -2.639 0.000 -0.051) 2.639 9.769 ( 2.801 0.000 0.751) 2.900 9.934 ( 1.715 0.000 0.875) 1.925 9.953 ( 1.945 0.000 3.998) 4.445 9.966 ( -1.348 0.000 0.050) 1.349 10.090 ( -1.981 0.000 -3.293) 3.843 10.125 ( -0.948 0.000 -1.260) 1.577 10.142 ( -1.785 0.000 -1.406) 2.272 10.214 ( 2.519 0.000 -7.342) 7.762 10.215 ( -4.293 0.000 5.176) 6.725 10.415 ( 3.473 0.000 -2.353) 4.195 10.491 ( -4.032 0.000 0.183) 4.036 10.502 ( 1.985 0.000 2.332) 3.062 10.563 ( 0.798 0.000 -4.295) 4.369 10.758 ( 3.358 0.000 -2.735) 4.331 10.785 ( -3.091 0.000 -1.180) 3.309 10.899 ( 1.228 0.000 0.136) 1.235 10.902 ( -2.974 0.000 -2.112) 3.648 10.954 ( -1.522 0.000 5.659) 5.860 11.069 ( 0.599 0.000 -2.691) 2.756 11.119 ( -3.437 0.000 8.121) 8.819 11.201 ( 5.547 0.000 -2.641) 6.144 11.243 ( -0.496 0.000 -3.176) 3.215 11.359 ( 5.579 0.000 -1.391) 5.750 11.678 ( 0.030 0.000 -2.819) 2.819 11.692 ( 0.373 0.000 2.434) 2.463 11.825 ( 0.692 0.000 -2.737) 2.823 11.830 ( 1.359 0.000 3.175) 3.453 11.974 ( -0.591 0.000 6.225) 6.253 12.117 ( 1.789 0.000 -9.218) 9.390 12.346 ( -6.969 0.000 9.646) 11.901 12.639 ( 1.132 0.000 -13.284) 13.332 12.658 ( 3.889 0.000 -9.269) 10.052 12.760 ( 4.039 0.000 5.657) 6.951 13.463 ( -11.004 0.000 5.436) 12.273 13.569 ( -4.504 0.000 -9.834) 10.817 13.799 ( 1.530 0.000 1.811) 2.371 14.061 ( 1.679 0.000 9.531) 9.678 14.118 ( -1.923 0.000 -2.860) 3.447 14.221 ( 2.719 0.000 2.176) 3.483 14.408 ( 1.373 0.000 3.212) 3.493 14.523 ( 3.434 0.000 -8.298) 8.980 14.906 ( -1.686 0.000 5.638) 5.884 14.979 ( 0.408 0.000 1.024) 1.103 15.040 ( 1.368 0.000 -0.365) 1.416 15.059 ( 0.190 0.000 -1.966) 1.975 15.383 ( -1.139 0.000 6.509) 6.608 15.453 ( 0.669 0.000 -3.073) 3.145 17.189 ( 2.521 0.000 2.998) 3.917 17.220 ( 2.292 0.000 -7.989) 8.311 17.467 ( -5.542 0.000 1.028) 5.637 17.523 ( -2.474 0.000 -2.961) 3.859 18.022 ( -13.288 0.000 -1.518) 13.374 18.201 ( -11.333 0.000 -0.659) 11.352 18.705 ( 2.165 0.000 0.595) 2.246 18.757 ( -0.682 0.000 2.669) 2.754 18.850 ( -0.544 0.000 -2.564) 2.621 18.932 ( -7.114 0.000 -8.786) 11.305 19.339 ( 0.810 0.000 0.597) 1.007 19.349 ( 0.785 0.000 0.988) 1.262 19.433 ( -2.785 0.000 0.474) 2.825 19.634 ( 1.546 0.000 -6.107) 6.299 19.784 ( -2.201 0.000 -0.167) 2.208 19.818 ( 1.308 0.000 1.035) 1.668 20.126 ( 6.996 0.000 16.808) 18.206 20.298 ( 10.150 0.000 0.705) 10.175 20.729 ( 4.493 0.000 3.337) 5.597 20.751 ( 4.179 0.000 -1.225) 4.355 20.953 ( -1.293 0.000 -2.994) 3.262 21.042 ( 3.868 0.000 4.434) 5.884 21.199 ( 5.466 0.000 8.044) 9.725 21.352 ( 10.228 0.000 -6.189) 11.955 22.474 ( -3.410 0.000 -0.853) 3.515 22.541 ( -1.921 0.000 1.331) 2.337 22.553 ( -1.196 0.000 -0.890) 1.491 22.565 ( -1.153 0.000 0.034) 1.153 ======================= Grid point 76 (40/54) ======================= q-point: (-0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( -4.078 0.000 14.204) 14.778 0.989 ( -11.001 0.000 18.652) 21.655 1.241 ( 8.085 0.000 -10.913) 13.582 1.481 ( -13.334 0.000 1.452) 13.413 1.553 ( -7.344 0.000 -14.152) 15.944 1.621 ( -21.896 0.000 19.641) 29.415 1.853 ( -6.307 0.000 -10.011) 11.832 1.985 ( 1.262 0.000 4.789) 4.952 2.038 ( -6.129 0.000 -0.664) 6.165 2.155 ( 3.416 0.000 -0.148) 3.419 2.194 ( -8.622 0.000 -7.682) 11.548 2.313 ( -3.221 0.000 -3.474) 4.737 2.407 ( -2.898 0.000 2.280) 3.687 2.563 ( -0.384 0.000 1.636) 1.681 2.572 ( 3.565 0.000 -1.391) 3.826 2.684 ( -6.194 0.000 -0.308) 6.201 2.692 ( 0.031 0.000 0.740) 0.741 2.765 ( -0.255 0.000 -2.717) 2.729 2.785 ( -4.000 0.000 1.340) 4.219 2.852 ( -8.723 0.000 -0.203) 8.725 2.948 ( -1.715 0.000 3.148) 3.584 3.043 ( -2.073 0.000 1.947) 2.844 3.087 ( 5.005 0.000 -2.375) 5.540 3.135 ( -0.161 0.000 1.188) 1.199 3.144 ( -1.701 0.000 -2.261) 2.829 3.210 ( 4.204 0.000 -0.456) 4.229 3.246 ( 0.863 0.000 -2.733) 2.866 3.266 ( -6.199 0.000 -6.606) 9.059 3.335 ( -4.839 0.000 0.989) 4.939 3.335 ( 3.532 0.000 2.894) 4.567 3.425 ( 1.596 0.000 5.178) 5.418 3.517 ( 5.403 0.000 -0.681) 5.445 3.556 ( -4.749 0.000 -3.341) 5.806 3.599 ( -1.760 0.000 2.026) 2.683 3.616 ( -2.112 0.000 4.020) 4.541 3.670 ( -5.345 0.000 -5.849) 7.923 3.719 ( 7.627 0.000 -7.550) 10.731 3.763 ( 2.611 0.000 5.303) 5.911 3.938 ( -6.311 0.000 -4.145) 7.551 3.957 ( -1.574 0.000 1.278) 2.027 3.964 ( -2.977 0.000 -6.456) 7.110 4.124 ( -1.407 0.000 -2.861) 3.189 4.179 ( -0.984 0.000 4.245) 4.358 4.265 ( 5.767 0.000 -0.579) 5.796 4.365 ( 5.414 0.000 1.948) 5.754 4.480 ( -0.470 0.000 4.250) 4.276 4.520 ( -0.444 0.000 -5.519) 5.537 4.525 ( 1.102 0.000 -0.571) 1.241 4.572 ( -2.316 0.000 7.688) 8.030 4.770 ( -1.370 0.000 0.308) 1.404 4.795 ( -0.556 0.000 -2.009) 2.085 4.923 ( -2.046 0.000 -7.113) 7.401 4.996 ( -4.026 0.000 5.990) 7.217 5.100 ( 0.430 0.000 0.168) 0.461 5.180 ( 10.196 0.000 0.669) 10.218 5.244 ( 4.206 0.000 -1.499) 4.465 5.277 ( 1.404 0.000 6.199) 6.356 5.392 ( 7.404 0.000 -4.533) 8.681 5.488 ( -2.198 0.000 2.247) 3.143 5.557 ( 3.727 0.000 -0.802) 3.812 5.613 ( 5.486 0.000 3.446) 6.478 5.657 ( -1.814 0.000 -3.838) 4.245 5.700 ( 4.137 0.000 -1.406) 4.369 5.836 ( 5.549 0.000 4.823) 7.352 5.959 ( 1.348 0.000 2.368) 2.725 6.010 ( 8.096 0.000 1.538) 8.241 6.021 ( 4.034 0.000 1.195) 4.207 6.100 ( -2.748 0.000 -4.629) 5.383 6.153 ( -1.127 0.000 -1.281) 1.706 6.330 ( -0.484 0.000 -2.224) 2.276 6.495 ( -0.005 0.000 -3.341) 3.341 6.505 ( -0.607 0.000 -1.410) 1.535 6.635 ( -3.296 0.000 -1.613) 3.669 6.640 ( 0.088 0.000 0.471) 0.480 6.681 ( -0.370 0.000 1.759) 1.798 6.788 ( 2.722 0.000 -0.948) 2.882 6.853 ( 10.405 0.000 3.291) 10.913 6.999 ( 0.839 0.000 -2.889) 3.009 7.095 ( -5.294 0.000 -5.476) 7.617 7.129 ( 7.221 0.000 1.593) 7.394 7.173 ( 2.387 0.000 6.798) 7.205 7.349 ( -4.551 0.000 8.802) 9.908 7.539 ( -1.014 0.000 4.173) 4.295 7.584 ( -4.290 0.000 4.512) 6.226 7.802 ( -3.304 0.000 -1.951) 3.836 7.846 ( -1.204 0.000 -6.230) 6.345 7.975 ( -7.434 0.000 3.371) 8.163 7.981 ( -2.863 0.000 -3.470) 4.499 8.055 ( 1.176 0.000 2.082) 2.391 8.172 ( -5.531 0.000 0.268) 5.537 8.369 ( 7.536 0.000 -5.612) 9.396 8.410 ( 3.994 0.000 -3.547) 5.342 8.733 ( -2.559 0.000 -8.047) 8.444 8.757 ( -10.362 0.000 2.085) 10.570 8.832 ( -5.571 0.000 1.081) 5.675 8.882 ( 2.616 0.000 5.770) 6.336 8.941 ( -9.834 0.000 -0.228) 9.836 9.044 ( 2.325 0.000 -0.071) 2.326 9.128 ( 2.566 0.000 -0.714) 2.664 9.154 ( 0.867 0.000 0.654) 1.086 9.325 ( 8.837 0.000 -3.717) 9.587 9.433 ( 0.573 0.000 3.317) 3.366 9.451 ( 5.283 0.000 -4.280) 6.799 9.552 ( 4.094 0.000 2.528) 4.811 9.677 ( -4.776 0.000 -2.476) 5.379 9.784 ( -3.390 0.000 -6.590) 7.411 9.870 ( -6.479 0.000 4.705) 8.007 9.898 ( -3.986 0.000 2.119) 4.514 10.009 ( -2.005 0.000 -6.641) 6.937 10.043 ( 1.982 0.000 0.998) 2.219 10.098 ( -1.667 0.000 0.147) 1.673 10.118 ( -0.167 0.000 0.336) 0.376 10.181 ( -2.396 0.000 4.919) 5.471 10.290 ( 5.033 0.000 -0.234) 5.039 10.366 ( -4.275 0.000 -1.900) 4.678 10.452 ( 0.474 0.000 -4.212) 4.239 10.489 ( -4.200 0.000 0.766) 4.269 10.555 ( 0.419 0.000 0.619) 0.748 10.675 ( -5.193 0.000 -7.320) 8.975 10.822 ( 3.519 0.000 -1.119) 3.693 10.829 ( -0.473 0.000 2.584) 2.627 10.891 ( -3.915 0.000 -0.497) 3.946 10.993 ( 2.501 0.000 4.502) 5.150 11.101 ( 2.046 0.000 1.595) 2.594 11.102 ( -3.537 0.000 8.814) 9.497 11.198 ( -3.098 0.000 -1.385) 3.394 11.296 ( 5.728 0.000 -2.028) 6.076 11.431 ( 3.026 0.000 -4.218) 5.192 11.678 ( 1.854 0.000 0.447) 1.907 11.706 ( -0.692 0.000 3.316) 3.387 11.821 ( 0.545 0.000 -2.112) 2.181 11.849 ( -0.855 0.000 0.243) 0.889 12.014 ( 0.460 0.000 4.801) 4.823 12.098 ( 3.282 0.000 -9.176) 9.746 12.280 ( -6.834 0.000 9.681) 11.850 12.542 ( -1.459 0.000 -13.823) 13.900 12.710 ( 6.457 0.000 -6.104) 8.885 12.824 ( -0.273 0.000 1.539) 1.563 13.303 ( -8.801 0.000 5.615) 10.439 13.390 ( -7.112 0.000 -6.342) 9.529 13.878 ( 4.200 0.000 3.219) 5.291 14.068 ( -2.143 0.000 -1.004) 2.366 14.153 ( 0.727 0.000 12.538) 12.559 14.292 ( 3.175 0.000 2.636) 4.127 14.441 ( 0.457 0.000 0.214) 0.505 14.517 ( 2.121 0.000 -9.727) 9.956 14.909 ( -1.354 0.000 4.530) 4.728 14.978 ( -0.777 0.000 -0.063) 0.780 15.059 ( 0.739 0.000 -0.740) 1.046 15.070 ( 2.012 0.000 -1.995) 2.833 15.428 ( 1.126 0.000 4.313) 4.458 15.453 ( 1.565 0.000 -3.006) 3.389 17.185 ( 0.177 0.000 -7.318) 7.320 17.262 ( 3.049 0.000 2.608) 4.012 17.346 ( -7.602 0.000 0.270) 7.607 17.449 ( -3.234 0.000 -2.935) 4.368 17.798 ( -9.347 0.000 1.686) 9.498 17.991 ( -9.504 0.000 -2.911) 9.940 18.679 ( -4.820 0.000 0.708) 4.872 18.700 ( -4.585 0.000 -2.190) 5.081 18.767 ( -3.557 0.000 1.864) 4.016 18.856 ( 1.191 0.000 -4.856) 5.000 19.347 ( 0.409 0.000 -0.503) 0.648 19.358 ( -1.041 0.000 1.816) 2.093 19.437 ( 1.625 0.000 3.611) 3.960 19.608 ( -1.508 0.000 -1.812) 2.358 19.795 ( 3.242 0.000 -1.082) 3.418 19.850 ( 1.009 0.000 0.442) 1.102 20.433 ( 15.149 0.000 10.519) 18.443 20.502 ( 9.129 0.000 3.457) 9.762 20.793 ( 1.342 0.000 -2.129) 2.516 20.846 ( 5.799 0.000 1.501) 5.990 20.896 ( -3.100 0.000 -2.972) 4.294 21.102 ( 0.464 0.000 -1.476) 1.547 21.401 ( 8.817 0.000 9.758) 13.151 21.496 ( 8.202 0.000 -3.895) 9.080 22.421 ( -1.505 0.000 0.183) 1.517 22.501 ( -2.409 0.000 -0.313) 2.429 22.523 ( -1.797 0.000 -0.464) 1.856 22.535 ( -1.778 0.000 -0.407) 1.824 ======================= Grid point 77 (41/54) ======================= q-point: ( 0.00 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( 0.739 -1.531 17.027) 17.111 1.035 ( -3.871 8.798 19.046) 21.334 1.168 ( -3.226 -1.113 -12.695) 13.145 1.354 ( 4.353 0.606 -12.667) 13.408 1.534 ( 0.185 1.693 -1.139) 2.049 1.686 ( 1.755 -1.412 -7.651) 7.976 1.779 ( -1.296 18.396 4.082) 18.888 1.896 ( -0.680 1.084 -5.357) 5.508 2.031 ( 5.257 4.004 5.651) 8.695 2.113 ( -2.446 3.469 -0.470) 4.271 2.163 ( 1.112 -5.250 4.620) 7.081 2.294 ( -1.032 -0.766 -5.400) 5.551 2.479 ( 2.730 -0.316 8.510) 8.943 2.536 ( -4.920 0.342 5.415) 7.324 2.576 ( -0.855 -1.562 -1.021) 2.053 2.617 ( 3.778 2.349 -2.732) 5.221 2.723 ( 2.917 3.203 -2.285) 4.899 2.740 ( -3.396 5.633 -3.365) 7.388 2.810 ( 1.100 3.457 3.450) 5.006 2.828 ( 0.167 6.600 4.813) 8.170 2.900 ( -5.017 3.817 1.561) 6.495 3.021 ( 2.266 -2.812 1.970) 4.114 3.074 ( -2.729 -1.418 -2.408) 3.906 3.101 ( 1.387 2.037 -2.083) 3.227 3.174 ( -1.556 -3.971 0.789) 4.337 3.189 ( -1.770 -2.720 -1.875) 3.748 3.231 ( -0.151 0.632 -4.409) 4.456 3.290 ( 4.209 6.168 -8.502) 11.315 3.353 ( 3.631 -2.364 0.865) 4.418 3.357 ( -0.987 -1.961 1.065) 2.440 3.474 ( 4.631 -1.254 2.412) 5.370 3.496 ( -5.116 1.096 1.212) 5.370 3.533 ( -3.011 0.491 -3.438) 4.596 3.561 ( -1.458 1.239 -3.806) 4.260 3.659 ( 4.250 3.311 1.915) 5.718 3.689 ( -1.091 2.793 -1.464) 3.337 3.724 ( -4.337 7.480 3.031) 9.163 3.827 ( -0.011 6.100 -4.289) 7.457 3.868 ( 4.535 -3.714 0.713) 5.905 3.907 ( 0.569 -3.134 -1.522) 3.531 4.007 ( 0.676 0.845 5.151) 5.264 4.088 ( -1.527 2.534 -3.243) 4.389 4.195 ( 4.242 -3.732 2.336) 6.114 4.251 ( -1.617 -5.231 -0.761) 5.528 4.370 ( -3.162 -4.430 4.251) 6.906 4.433 ( -0.449 -4.538 -0.137) 4.563 4.474 ( 2.115 -1.201 0.065) 2.434 4.543 ( -1.034 0.204 -0.522) 1.176 4.584 ( -1.070 -3.295 7.803) 8.537 4.709 ( 1.068 -8.436 -2.234) 8.792 4.773 ( -2.965 -1.403 -0.576) 3.330 4.784 ( 4.560 -7.516 -1.580) 8.933 4.995 ( 0.464 2.806 -1.395) 3.168 5.018 ( -1.996 1.461 -3.127) 3.987 5.143 ( 0.137 -9.716 1.150) 9.785 5.225 ( 3.120 -11.399 -4.541) 12.661 5.314 ( -6.182 -3.545 3.300) 7.853 5.381 ( 4.917 -4.418 -3.527) 7.492 5.445 ( -0.396 -3.756 0.336) 3.791 5.489 ( -1.400 -7.906 -2.901) 8.537 5.656 ( 5.524 0.610 3.544) 6.591 5.702 ( -4.885 0.651 -0.921) 5.014 5.873 ( 4.230 5.887 4.969) 8.789 5.939 ( -2.772 0.946 -0.009) 2.929 5.994 ( 1.175 1.949 -0.569) 2.346 6.006 ( -1.648 2.592 -0.065) 3.072 6.108 ( -0.121 2.868 -0.355) 2.893 6.134 ( -0.777 3.679 -2.831) 4.707 6.248 ( 1.450 8.916 -0.176) 9.034 6.285 ( -1.782 6.591 -2.885) 7.412 6.478 ( -0.622 -0.755 -1.362) 1.677 6.494 ( 0.667 -0.558 -2.449) 2.599 6.602 ( -0.247 -1.558 1.195) 1.979 6.626 ( -2.244 0.722 -0.164) 2.363 6.692 ( 3.206 -1.604 0.861) 3.686 6.724 ( -2.138 -3.375 -2.075) 4.502 6.963 ( -4.943 0.264 1.614) 5.206 7.004 ( 3.864 0.633 -2.364) 4.574 7.228 ( -2.116 9.750 8.001) 12.789 7.262 ( -4.716 0.679 4.748) 6.727 7.291 ( 0.222 2.469 4.553) 5.185 7.364 ( 5.694 5.228 0.258) 7.734 7.530 ( 3.506 1.726 3.233) 5.071 7.592 ( 2.033 1.991 -1.539) 3.235 7.678 ( -3.644 -2.340 0.678) 4.384 7.758 ( 0.448 -2.745 -7.710) 8.196 7.930 ( -2.520 1.393 2.805) 4.020 7.934 ( 2.078 -0.720 1.436) 2.627 8.134 ( 2.227 2.362 2.205) 3.924 8.181 ( -2.770 4.352 -1.840) 5.477 8.392 ( -1.770 -2.401 0.434) 3.014 8.487 ( -2.394 -4.302 -8.125) 9.500 8.600 ( 3.151 2.733 1.947) 4.603 8.641 ( -1.273 2.983 -2.308) 3.980 8.766 ( 0.761 -1.226 1.925) 2.406 8.804 ( 0.681 -2.002 -1.790) 2.771 8.966 ( 0.399 -0.190 3.696) 3.723 9.051 ( 0.993 -1.097 -5.344) 5.545 9.163 ( 0.819 -0.069 2.869) 2.984 9.200 ( -1.721 0.225 -1.332) 2.188 9.472 ( -8.980 4.863 3.411) 10.767 9.513 ( 3.448 2.653 -0.563) 4.387 9.522 ( 5.044 0.895 1.776) 5.422 9.568 ( -3.650 1.754 -1.885) 4.466 9.592 ( 4.615 4.457 0.247) 6.420 9.716 ( -2.867 4.601 -9.651) 11.069 9.881 ( -3.981 -1.106 5.230) 6.665 9.882 ( 0.848 3.137 4.142) 5.264 9.956 ( 1.702 -0.172 2.468) 3.003 10.004 ( 0.177 -2.721 -0.261) 2.739 10.062 ( -0.974 -4.316 0.406) 4.443 10.096 ( -0.805 0.104 -0.044) 0.813 10.169 ( 4.863 -1.128 5.584) 7.490 10.276 ( -0.614 -4.132 -3.978) 5.768 10.342 ( 0.374 -1.330 -0.770) 1.582 10.376 ( -0.937 0.094 -5.047) 5.134 10.435 ( -3.410 -7.839 1.562) 8.690 10.519 ( 3.286 -2.052 -3.068) 4.942 10.704 ( 0.488 -2.610 2.693) 3.782 10.793 ( -1.081 -4.989 -3.383) 6.124 10.822 ( 1.237 6.198 -0.552) 6.345 10.858 ( 0.875 2.020 -2.683) 3.470 11.039 ( 1.399 -2.580 4.527) 5.395 11.062 ( 0.153 0.797 2.590) 2.715 11.106 ( -4.492 -1.761 3.303) 5.847 11.233 ( 4.051 0.952 -6.029) 7.325 11.389 ( 0.081 4.647 2.869) 5.462 11.443 ( -1.252 4.164 -2.330) 4.933 11.683 ( 2.496 -1.877 5.159) 6.030 11.768 ( -2.793 -2.596 -1.822) 4.226 11.775 ( 0.570 0.653 1.852) 2.045 11.842 ( -1.368 2.478 -4.403) 5.235 12.045 ( -1.486 -0.024 2.274) 2.717 12.109 ( 3.390 -2.607 -4.579) 6.265 12.149 ( -2.191 -5.567 10.776) 12.326 12.371 ( 1.551 -8.040 -12.736) 15.141 12.775 ( -4.482 1.498 -0.705) 4.778 12.796 ( 4.669 2.084 -3.177) 6.020 13.294 ( -1.721 4.738 6.460) 8.194 13.406 ( 2.691 5.793 -5.858) 8.667 13.924 ( 3.483 -3.251 2.937) 5.597 13.965 ( -3.089 -4.100 -0.611) 5.169 14.158 ( 0.151 -5.115 7.766) 9.300 14.302 ( -1.079 -7.649 -7.045) 10.455 14.480 ( 0.061 7.847 5.633) 9.660 14.570 ( 1.257 4.820 -3.710) 6.211 14.910 ( -0.904 -1.288 3.931) 4.234 14.945 ( 0.404 -0.866 -0.328) 1.011 15.076 ( -1.171 1.340 0.898) 1.993 15.105 ( 0.430 1.792 -1.659) 2.480 15.383 ( -2.999 -2.176 5.640) 6.748 15.459 ( 1.665 -1.601 -2.739) 3.583 17.256 ( 5.752 4.247 0.088) 7.151 17.278 ( -4.518 4.747 -2.392) 6.976 17.418 ( -0.612 4.736 0.246) 4.782 17.440 ( -0.038 5.128 -2.096) 5.540 17.813 ( 0.852 8.425 5.638) 10.173 17.936 ( -2.145 11.307 -8.056) 14.048 18.618 ( -0.052 -1.242 0.640) 1.398 18.627 ( -0.589 -1.004 -0.315) 1.205 18.764 ( -0.359 0.501 3.894) 3.942 18.859 ( -0.074 2.608 -6.419) 6.928 19.197 ( 0.583 -13.469 7.473) 15.415 19.322 ( 0.749 -5.535 -5.688) 7.972 19.534 ( 0.158 1.918 1.878) 2.689 19.567 ( 0.142 0.593 -1.770) 1.872 19.823 ( 1.566 -1.696 0.205) 2.317 19.837 ( -1.250 -1.295 -1.242) 2.187 20.548 ( -0.085 -4.885 4.641) 6.739 20.627 ( 1.543 -6.951 -3.260) 7.831 20.773 ( 7.036 0.056 2.523) 7.475 20.801 ( -4.774 -1.412 -0.295) 4.987 21.040 ( 0.380 5.070 -0.032) 5.084 21.065 ( -2.317 3.880 -2.549) 5.189 21.470 ( -2.302 -3.075 7.351) 8.294 21.582 ( 2.509 -1.788 -5.391) 6.209 22.435 ( 1.600 0.443 1.180) 2.037 22.457 ( -1.729 0.199 -1.116) 2.068 22.487 ( 0.034 -0.526 1.003) 1.133 22.505 ( -0.243 -0.599 -0.849) 1.067 ======================= Grid point 78 (42/54) ======================= q-point: ( 0.14 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( -4.496 2.141 12.449) 13.408 1.027 ( 0.971 7.679 -9.251) 12.062 1.341 ( 12.849 3.895 9.873) 16.666 1.479 ( 9.121 -1.971 -1.006) 9.385 1.587 ( 7.780 -0.548 -3.455) 8.530 1.682 ( 6.986 -1.651 -11.316) 13.401 1.840 ( 3.560 4.433 4.164) 7.047 1.963 ( 8.776 8.054 -0.437) 11.920 2.043 ( 1.015 -2.576 -1.821) 3.314 2.153 ( -0.281 4.296 -5.417) 6.919 2.250 ( 3.012 -0.443 6.236) 6.939 2.265 ( 6.262 1.308 -3.327) 7.210 2.498 ( -0.864 2.361 -0.100) 2.516 2.540 ( -0.398 -0.229 0.304) 0.551 2.572 ( -2.238 0.260 1.227) 2.565 2.664 ( 5.332 1.833 -1.072) 5.739 2.707 ( 4.756 -1.767 0.269) 5.081 2.723 ( -4.184 -0.545 1.167) 4.378 2.840 ( -0.540 1.491 1.665) 2.299 2.888 ( -0.310 1.484 2.716) 3.110 2.945 ( -0.168 4.840 7.422) 8.862 3.011 ( 0.877 -0.365 4.525) 4.624 3.105 ( 0.264 -2.348 -1.199) 2.649 3.121 ( 0.808 2.064 4.431) 4.954 3.156 ( 9.779 1.083 -5.077) 11.071 3.204 ( 1.409 0.831 -4.483) 4.773 3.205 ( 3.402 1.128 0.516) 3.621 3.276 ( -1.628 3.695 -6.367) 7.539 3.330 ( -0.838 -1.708 -0.543) 1.979 3.418 ( 3.541 2.807 -4.016) 6.045 3.454 ( -0.707 3.512 0.534) 3.622 3.511 ( 2.500 -0.526 6.077) 6.592 3.547 ( 0.237 1.809 -0.053) 1.825 3.605 ( -0.575 -0.287 -0.125) 0.655 3.615 ( 0.614 2.637 0.326) 2.727 3.694 ( 3.390 5.203 -3.383) 7.071 3.741 ( -3.439 -2.014 0.600) 4.030 3.758 ( 4.654 1.275 2.168) 5.291 3.921 ( 5.022 3.365 -7.600) 9.712 3.992 ( 0.179 3.193 1.584) 3.569 4.045 ( 0.841 2.743 -2.538) 3.830 4.081 ( 2.889 1.981 4.304) 5.549 4.203 ( 0.924 -3.752 -4.389) 5.848 4.258 ( -1.765 -0.845 -2.109) 2.877 4.355 ( 0.192 -5.042 4.353) 6.664 4.433 ( 1.241 -3.867 3.848) 5.595 4.470 ( -4.295 -0.797 -4.534) 6.297 4.515 ( -0.010 -0.385 2.698) 2.725 4.607 ( -1.752 -9.063 7.908) 12.155 4.709 ( 1.367 -6.574 -6.694) 9.481 4.713 ( -1.803 -4.698 -0.271) 5.039 4.856 ( 4.188 -2.852 -2.588) 5.689 5.017 ( 0.942 -0.642 1.783) 2.116 5.065 ( 3.676 3.237 0.791) 4.961 5.101 ( -2.129 -9.085 -1.940) 9.531 5.165 ( -6.108 -10.425 -2.511) 12.341 5.226 ( -3.111 -4.477 1.334) 5.613 5.405 ( -6.929 -0.246 0.754) 6.975 5.432 ( 0.846 -5.566 -1.573) 5.846 5.467 ( 2.506 -4.024 0.055) 4.741 5.553 ( -6.967 1.931 -1.745) 7.437 5.710 ( -2.733 0.120 3.147) 4.170 5.824 ( -3.249 -0.395 -3.924) 5.110 5.927 ( -4.508 5.846 -1.721) 7.581 5.975 ( -1.959 4.369 3.048) 5.676 6.018 ( 1.396 -3.807 1.661) 4.382 6.041 ( -5.672 4.676 1.152) 7.441 6.107 ( -2.948 4.611 -1.892) 5.790 6.226 ( -1.668 7.190 1.285) 7.492 6.310 ( 0.298 4.046 1.464) 4.313 6.454 ( 0.425 -1.251 0.760) 1.524 6.509 ( -1.490 1.775 -0.616) 2.398 6.558 ( 1.378 -4.718 1.872) 5.259 6.592 ( -4.100 -4.125 -2.125) 6.192 6.696 ( 2.467 -0.464 0.364) 2.536 6.773 ( 1.279 1.633 -0.033) 2.074 6.870 ( -4.910 0.648 0.616) 4.991 7.016 ( -2.847 -2.462 2.079) 4.300 7.148 ( -4.014 12.355 0.591) 13.004 7.174 ( -4.227 5.468 3.265) 7.644 7.260 ( -6.534 4.234 2.489) 8.174 7.453 ( 1.370 -3.323 -1.668) 3.962 7.608 ( -0.534 1.400 -1.554) 2.159 7.625 ( 2.723 -0.823 -1.200) 3.087 7.727 ( 8.693 -0.023 1.774) 8.872 7.781 ( 4.239 -2.566 -2.848) 5.716 7.934 ( 1.785 1.050 1.076) 2.334 8.042 ( 7.810 1.188 0.261) 7.904 8.100 ( -3.954 0.520 -2.210) 4.559 8.179 ( 1.404 -0.956 3.005) 3.452 8.281 ( -4.112 2.781 0.636) 5.005 8.409 ( -3.570 1.278 1.184) 3.972 8.637 ( 1.768 2.768 0.006) 3.285 8.769 ( 7.151 -2.114 -1.450) 7.596 8.843 ( 8.722 0.202 -0.344) 8.731 8.938 ( 8.683 -2.553 -1.364) 9.153 8.955 ( -1.477 -0.793 0.946) 1.925 9.021 ( -1.565 -2.535 -0.242) 2.989 9.101 ( -3.608 1.659 -0.286) 3.981 9.183 ( -0.840 2.855 2.152) 3.672 9.360 ( -7.141 4.115 2.420) 8.590 9.443 ( -5.063 6.844 -1.171) 8.593 9.508 ( 1.157 2.689 -3.284) 4.400 9.631 ( 3.606 -0.693 3.483) 5.061 9.677 ( 0.945 3.322 -8.265) 8.958 9.714 ( 4.970 3.322 5.792) 8.323 9.856 ( -1.442 -2.830 4.160) 5.233 9.904 ( -1.683 0.098 3.204) 3.620 9.969 ( 0.564 -0.183 -2.157) 2.237 10.022 ( -2.486 -2.572 1.728) 3.973 10.063 ( 3.804 -1.086 0.647) 4.009 10.108 ( 1.553 1.435 -0.297) 2.135 10.235 ( 1.769 -3.196 -6.101) 7.111 10.292 ( -2.401 -1.594 -0.774) 2.984 10.349 ( 4.870 -2.968 -0.465) 5.722 10.375 ( 3.153 -0.929 0.597) 3.341 10.449 ( 3.412 -5.313 4.836) 7.953 10.539 ( 1.576 -4.718 -4.349) 6.607 10.652 ( -5.104 1.213 0.258) 5.253 10.719 ( -3.670 -3.676 0.458) 5.214 10.844 ( 1.473 -2.578 -2.173) 3.679 10.933 ( 2.770 1.688 -2.491) 4.090 11.048 ( 0.338 0.592 -2.234) 2.335 11.075 ( -1.282 -1.757 8.137) 8.423 11.100 ( 1.656 0.416 -0.299) 1.733 11.268 ( 2.650 -1.960 -6.719) 7.484 11.334 ( -3.419 7.143 1.599) 8.079 11.446 ( -0.768 3.784 0.164) 3.864 11.655 ( -4.529 -3.210 -2.013) 5.905 11.752 ( -2.586 0.061 -0.478) 2.630 11.778 ( 2.761 -1.464 5.270) 6.127 11.835 ( -0.197 4.247 1.138) 4.401 12.003 ( -2.270 -1.108 0.070) 2.527 12.113 ( 0.623 0.437 -2.553) 2.664 12.254 ( 3.955 -5.619 8.369) 10.828 12.377 ( 6.191 -8.152 -10.221) 14.466 12.668 ( -5.664 2.643 0.121) 6.251 12.875 ( 4.288 1.044 -2.678) 5.163 13.327 ( 1.014 2.429 5.157) 5.790 13.448 ( 6.026 2.496 -6.361) 9.110 13.872 ( -4.562 -5.207 -2.368) 7.317 14.000 ( 1.803 -3.446 2.128) 4.433 14.157 ( -3.182 -6.463 1.929) 7.458 14.284 ( 1.038 -4.428 0.657) 4.595 14.487 ( -2.423 7.427 2.748) 8.281 14.553 ( 0.308 5.391 -5.259) 7.538 14.922 ( -0.075 -1.395 2.948) 3.262 14.954 ( 0.472 -0.742 -0.470) 0.997 15.053 ( -1.399 1.643 1.659) 2.722 15.104 ( -0.164 2.428 -0.348) 2.458 15.367 ( -1.922 -0.126 5.047) 5.402 15.468 ( 0.957 -1.330 -2.536) 3.019 17.188 ( -2.596 7.190 -1.450) 7.781 17.334 ( 0.960 4.525 0.234) 4.631 17.431 ( 2.020 1.257 0.966) 2.568 17.483 ( 5.219 8.296 -1.791) 9.963 17.912 ( 4.242 7.374 -4.279) 9.523 17.937 ( 7.587 4.603 6.063) 10.747 18.636 ( 0.956 -5.425 0.148) 5.511 18.658 ( 2.643 -1.737 1.071) 3.339 18.765 ( 0.815 0.713 1.191) 1.610 18.882 ( 3.842 4.828 -1.590) 6.372 19.235 ( -0.462 -12.245 2.521) 12.510 19.294 ( 0.481 -8.446 -4.311) 9.494 19.495 ( -2.089 2.573 -0.102) 3.316 19.625 ( 3.348 1.866 -1.074) 3.980 19.787 ( -1.784 0.004 -0.689) 1.912 19.849 ( 0.495 -1.396 0.078) 1.483 20.480 ( -9.017 -4.197 1.097) 10.006 20.562 ( -4.474 -2.831 -5.388) 7.554 20.707 ( -3.234 -0.577 -0.771) 3.375 20.876 ( 0.594 -5.279 -1.461) 5.510 20.930 ( -5.635 8.398 3.313) 10.642 21.098 ( 0.771 2.085 1.336) 2.594 21.384 ( -10.713 -1.095 6.668) 12.666 21.517 ( -5.274 -1.866 -5.843) 8.089 22.438 ( 0.621 0.699 -0.850) 1.264 22.489 ( 3.212 0.292 1.127) 3.416 22.508 ( 1.161 -1.241 -0.363) 1.738 22.523 ( 2.317 -0.435 0.435) 2.397 ======================= Grid point 79 (43/54) ======================= q-point: ( 0.29 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( 4.634 2.234 8.929) 10.305 1.100 ( 7.962 11.032 -0.012) 13.605 1.410 ( 2.993 -4.759 -4.736) 7.351 1.701 ( 15.203 6.416 -8.563) 18.591 1.768 ( 6.368 -1.232 -8.800) 10.932 1.809 ( 7.378 -5.259 9.865) 13.394 1.939 ( 4.943 10.306 9.218) 14.684 2.061 ( 2.716 -1.834 0.297) 3.291 2.161 ( 8.815 0.225 -5.078) 10.175 2.203 ( 11.212 -0.494 2.823) 11.572 2.355 ( 4.693 -3.224 -0.275) 5.701 2.371 ( 2.843 7.386 0.273) 7.919 2.448 ( -5.038 -1.739 2.376) 5.836 2.501 ( -0.519 1.430 3.686) 3.988 2.578 ( -0.960 -1.996 2.242) 3.152 2.643 ( -3.852 -6.950 -0.835) 7.990 2.724 ( -6.975 -2.242 0.488) 7.343 2.758 ( -2.042 -5.784 1.476) 6.309 2.795 ( 2.846 0.722 -0.257) 2.948 2.859 ( 1.108 2.114 1.704) 2.932 2.995 ( -4.689 -1.003 3.464) 5.915 3.029 ( 8.405 -0.613 -1.443) 8.550 3.097 ( -4.458 -0.679 -4.470) 6.349 3.184 ( 3.408 1.471 5.220) 6.405 3.216 ( -3.242 -1.993 2.516) 4.562 3.257 ( 8.307 7.232 -13.671) 17.556 3.302 ( 3.745 2.474 -0.562) 4.523 3.354 ( 4.474 8.149 -0.726) 9.324 3.389 ( 11.151 2.230 4.824) 12.352 3.410 ( 2.993 2.338 -3.099) 4.902 3.482 ( -1.692 0.021 -1.010) 1.971 3.521 ( 1.754 7.036 -1.363) 7.378 3.552 ( 1.112 4.318 -2.513) 5.118 3.628 ( 2.468 6.028 5.475) 8.509 3.709 ( 5.273 -1.617 5.512) 7.798 3.726 ( 1.201 -0.710 -0.003) 1.395 3.799 ( 7.602 1.077 -2.802) 8.173 3.861 ( 6.086 -3.120 -0.830) 6.889 3.911 ( 0.232 6.900 -1.655) 7.099 3.991 ( -1.112 1.733 0.595) 2.144 4.063 ( 1.643 2.439 -1.013) 3.110 4.152 ( 1.920 3.818 -2.396) 4.899 4.160 ( -4.853 -0.782 -5.389) 7.294 4.217 ( 3.565 -0.538 -1.305) 3.834 4.355 ( -3.076 -0.086 -4.865) 5.757 4.393 ( 1.114 -2.743 3.012) 4.223 4.478 ( -2.852 -1.217 -2.970) 4.294 4.543 ( 4.411 -3.074 4.765) 7.184 4.622 ( 0.159 -6.358 -0.165) 6.362 4.678 ( -0.805 -5.967 2.108) 6.379 4.760 ( 5.002 -2.953 3.841) 6.964 4.848 ( -9.160 -5.177 -0.364) 10.528 4.946 ( 1.405 5.919 -3.717) 7.129 5.006 ( -3.271 -12.161 2.414) 12.823 5.088 ( -4.911 0.166 5.442) 7.333 5.156 ( -6.701 -3.287 0.871) 7.514 5.253 ( 0.306 1.476 -0.085) 1.509 5.289 ( 7.930 4.172 0.474) 8.973 5.373 ( -6.854 -0.761 -3.187) 7.597 5.463 ( -2.137 -3.052 -0.551) 3.766 5.513 ( -0.541 -1.604 0.652) 1.814 5.651 ( -2.475 0.696 -0.127) 2.574 5.767 ( -2.313 -5.453 -3.867) 7.074 5.844 ( -2.670 7.503 -1.667) 8.137 5.885 ( -6.014 -2.554 1.154) 6.636 5.940 ( -4.193 3.152 -0.013) 5.246 5.998 ( -6.423 2.346 -1.682) 7.042 6.043 ( -2.265 -2.906 3.941) 5.395 6.189 ( -3.619 1.290 3.495) 5.194 6.291 ( -2.474 5.497 0.611) 6.059 6.426 ( -6.454 -3.029 1.245) 7.237 6.462 ( -0.825 -1.070 -1.994) 2.409 6.567 ( 2.352 -2.377 0.101) 3.346 6.641 ( 3.626 -4.225 0.444) 5.585 6.671 ( -3.727 0.303 -0.802) 3.824 6.756 ( -2.442 -1.354 0.745) 2.890 6.846 ( 3.245 4.172 -0.323) 5.296 6.997 ( -1.279 -0.277 1.655) 2.110 7.070 ( -3.638 8.002 0.665) 8.815 7.137 ( -7.012 3.625 -0.492) 7.909 7.212 ( 4.235 3.479 3.490) 6.497 7.402 ( -3.506 -1.967 -0.956) 4.132 7.557 ( -2.778 1.506 -1.050) 3.330 7.670 ( 0.741 -1.041 -0.286) 1.309 7.851 ( 3.443 -2.333 2.705) 4.961 7.891 ( 6.875 -1.398 -0.196) 7.018 7.954 ( 1.025 0.973 -0.851) 1.649 8.052 ( 0.717 -0.994 -0.123) 1.232 8.180 ( 3.588 1.818 0.859) 4.113 8.220 ( 3.720 0.673 -1.152) 3.952 8.297 ( 3.096 3.173 1.306) 4.622 8.372 ( -1.385 2.364 0.403) 2.769 8.669 ( 0.477 -0.109 2.714) 2.758 8.802 ( -1.774 -2.513 0.498) 3.116 8.931 ( 1.033 -1.206 -0.075) 1.589 8.952 ( 1.659 1.227 2.790) 3.471 9.021 ( 3.835 2.553 1.293) 4.785 9.071 ( 0.498 3.850 -2.815) 4.795 9.135 ( 6.024 -3.331 -0.398) 6.895 9.202 ( 1.302 3.865 2.843) 4.971 9.258 ( -1.695 3.395 0.799) 3.878 9.380 ( -2.783 2.885 -1.775) 4.384 9.518 ( 2.758 0.220 -7.172) 7.687 9.613 ( -1.234 2.567 -6.567) 7.158 9.700 ( 0.844 -1.086 4.042) 4.270 9.802 ( -1.756 1.797 2.472) 3.525 9.869 ( -0.727 -2.761 10.093) 10.489 9.897 ( -0.406 -3.380 2.377) 4.152 9.941 ( -0.976 -0.646 -1.182) 1.663 10.011 ( 0.142 -0.071 1.743) 1.750 10.110 ( 1.202 -3.226 -4.407) 5.592 10.162 ( 3.594 5.085 0.024) 6.227 10.210 ( -2.094 0.874 -1.218) 2.576 10.271 ( 4.745 -1.091 -1.824) 5.199 10.390 ( -0.956 -1.132 -0.883) 1.725 10.459 ( 6.445 -3.432 -0.715) 7.336 10.497 ( 0.289 -3.102 -2.751) 4.156 10.565 ( -3.229 0.127 0.463) 3.265 10.649 ( 5.839 -5.071 4.675) 9.037 10.661 ( -2.360 -2.137 4.386) 5.420 10.865 ( 1.416 -2.132 -1.632) 3.036 10.889 ( -2.860 -1.920 -2.091) 4.030 11.032 ( -0.979 -0.580 -1.622) 1.981 11.080 ( -1.426 1.620 1.820) 2.823 11.157 ( 1.953 2.706 -0.193) 3.342 11.213 ( -2.753 -2.075 -0.896) 3.562 11.334 ( -1.045 4.533 -0.033) 4.652 11.385 ( -1.344 1.391 -6.314) 6.604 11.610 ( -0.706 -0.766 2.218) 2.451 11.705 ( -1.592 -0.109 -0.745) 1.761 11.820 ( -2.189 3.493 3.321) 5.294 11.863 ( 2.135 -1.092 2.735) 3.637 11.983 ( -0.270 2.564 1.426) 2.947 12.108 ( 1.521 1.031 -4.929) 5.260 12.362 ( 1.169 -5.887 9.236) 11.014 12.429 ( 4.668 -5.147 -6.262) 9.354 12.592 ( -2.028 1.407 0.266) 2.483 12.893 ( 0.281 2.450 -5.244) 5.795 13.379 ( 1.039 -5.292 3.997) 6.712 13.533 ( 6.029 -3.709 -5.048) 8.694 13.790 ( -1.034 -4.633 -3.721) 6.032 14.017 ( -1.176 -8.108 0.376) 8.202 14.124 ( -0.737 1.385 1.686) 2.303 14.296 ( -2.122 -2.664 4.335) 5.513 14.439 ( -2.671 7.593 -0.695) 8.079 14.518 ( -0.287 2.803 -5.452) 6.137 14.939 ( -0.480 -0.497 3.017) 3.095 14.956 ( 0.280 0.172 0.172) 0.371 15.055 ( 0.214 2.048 1.231) 2.399 15.093 ( -0.621 2.945 -0.505) 3.052 15.378 ( -0.235 0.454 3.887) 3.921 15.465 ( 0.780 -0.347 -2.904) 3.026 17.168 ( -0.018 8.041 1.683) 8.215 17.320 ( -1.724 8.085 -0.107) 8.268 17.498 ( 3.727 0.760 1.502) 4.089 17.558 ( 3.612 5.417 -1.924) 6.789 18.036 ( 10.386 2.745 -0.453) 10.752 18.134 ( 9.284 -0.719 4.255) 10.237 18.605 ( -3.880 -9.106 -0.209) 9.900 18.701 ( -1.256 -5.058 2.331) 5.709 18.854 ( 7.172 1.540 -0.198) 7.338 18.928 ( 2.302 3.758 -1.032) 4.527 19.245 ( 3.316 -12.107 -2.065) 12.721 19.306 ( 0.800 -4.611 2.863) 5.486 19.462 ( -1.173 4.081 -1.784) 4.606 19.619 ( -1.901 1.652 -2.656) 3.661 19.794 ( 1.590 0.397 -0.670) 1.771 19.860 ( 1.453 0.879 -0.048) 1.699 20.287 ( -9.394 -1.213 -3.674) 10.159 20.410 ( -6.920 1.592 -7.349) 10.219 20.664 ( -2.613 -1.506 2.576) 3.966 20.788 ( -4.597 0.260 -0.336) 4.617 20.931 ( -0.438 2.419 3.570) 4.335 21.085 ( -2.747 0.050 1.284) 3.033 21.205 ( -12.130 0.222 6.569) 13.797 21.344 ( -7.568 -1.740 -7.462) 10.770 22.468 ( 2.537 0.528 0.194) 2.599 22.529 ( 1.128 -1.150 0.219) 1.625 22.553 ( 2.769 0.018 0.324) 2.788 22.564 ( 1.720 -0.322 -0.404) 1.795 ======================= Grid point 80 (44/54) ======================= q-point: ( 0.43 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( 3.978 -1.010 6.979) 8.097 1.219 ( 3.755 0.588 0.982) 3.926 1.563 ( 13.318 -0.147 -2.015) 13.471 1.759 ( -7.844 -0.138 2.037) 8.105 1.913 ( 14.241 3.158 -7.827) 16.554 1.956 ( 16.627 4.211 -7.813) 18.848 2.033 ( -8.958 -0.960 5.770) 10.699 2.133 ( -12.448 3.835 3.209) 13.415 2.230 ( 6.150 4.968 9.517) 12.372 2.334 ( -2.366 -3.465 3.616) 5.539 2.357 ( 10.982 -1.119 -1.272) 11.112 2.412 ( 0.309 -3.614 1.308) 3.856 2.466 ( 2.466 0.332 -2.419) 3.470 2.527 ( -0.751 -1.942 4.413) 4.880 2.585 ( -4.267 -3.311 4.753) 7.195 2.615 ( 3.030 -2.798 1.789) 4.496 2.674 ( 1.419 -4.347 3.628) 5.838 2.725 ( 3.868 -3.602 -3.080) 6.117 2.819 ( -5.431 1.388 -0.344) 5.616 2.894 ( 2.351 2.088 0.774) 3.238 2.927 ( -0.880 -0.162 -3.178) 3.302 3.027 ( -2.149 -0.499 1.266) 2.544 3.127 ( 1.431 -3.961 0.569) 4.250 3.154 ( -4.715 2.712 -3.197) 6.309 3.203 ( -0.668 0.659 1.641) 1.890 3.295 ( -0.666 6.112 -2.398) 6.599 3.331 ( 2.850 6.167 -1.592) 6.978 3.412 ( 3.220 2.044 1.358) 4.048 3.431 ( -1.989 3.187 -3.211) 4.942 3.480 ( 2.414 1.157 -1.347) 2.997 3.513 ( 1.042 3.005 -1.051) 3.349 3.604 ( 6.613 1.220 -2.119) 7.051 3.631 ( 6.561 2.114 0.606) 6.920 3.689 ( 1.456 1.159 0.027) 1.861 3.694 ( -1.677 1.407 0.707) 2.301 3.798 ( -3.270 1.865 -8.926) 9.687 3.816 ( 2.163 2.504 -0.197) 3.314 3.925 ( -5.277 0.549 2.209) 5.747 3.975 ( -0.042 1.234 -1.092) 1.648 4.000 ( 4.844 -0.954 -2.206) 5.408 4.037 ( -4.827 0.963 0.573) 4.955 4.073 ( -1.504 1.267 -4.750) 5.141 4.174 ( 2.978 1.593 3.674) 4.990 4.255 ( 2.859 1.334 -3.563) 4.759 4.306 ( 4.452 -1.305 3.304) 5.696 4.424 ( 1.054 3.187 -1.060) 3.520 4.471 ( 0.839 -0.113 -4.622) 4.699 4.531 ( 0.784 0.399 -0.090) 0.884 4.711 ( 7.691 1.937 1.194) 8.021 4.752 ( 4.969 -1.870 4.574) 7.008 4.808 ( 4.542 0.567 1.566) 4.838 4.832 ( -7.978 -5.061 5.116) 10.744 4.909 ( -6.228 3.691 1.636) 7.422 4.980 ( 4.484 -6.868 0.643) 8.227 5.012 ( -4.423 1.399 4.502) 6.465 5.050 ( -5.503 1.798 -0.200) 5.792 5.195 ( -3.020 1.073 1.029) 3.366 5.296 ( 0.743 -3.861 -0.515) 3.965 5.412 ( -1.451 1.015 -5.686) 5.956 5.447 ( -3.107 -1.282 0.215) 3.368 5.494 ( 7.721 2.157 1.490) 8.154 5.589 ( -5.769 -0.987 -0.289) 5.860 5.657 ( -4.436 -1.849 -3.477) 5.932 5.788 ( -3.969 -2.716 -3.828) 6.146 5.834 ( 1.935 1.079 0.199) 2.224 5.890 ( -3.492 0.009 -0.193) 3.497 5.951 ( 3.705 -1.512 0.994) 4.123 6.005 ( -3.330 -1.746 3.589) 5.198 6.149 ( -4.342 -0.672 6.417) 7.777 6.245 ( -0.271 0.466 -3.930) 3.966 6.333 ( -4.186 -3.950 1.852) 6.046 6.399 ( -2.120 -2.041 -4.452) 5.337 6.604 ( 1.825 0.958 1.978) 2.857 6.667 ( 1.343 0.414 1.010) 1.731 6.693 ( 1.509 -2.282 -0.397) 2.764 6.725 ( -0.439 -0.493 -0.694) 0.958 6.900 ( 1.570 1.501 0.833) 2.326 6.971 ( -0.683 0.213 -1.222) 1.416 7.004 ( -4.609 2.163 0.432) 5.109 7.033 ( -2.113 2.491 -3.585) 4.850 7.330 ( 3.492 1.954 7.394) 8.407 7.370 ( -0.456 2.175 4.467) 4.989 7.512 ( -0.830 1.625 -1.826) 2.582 7.629 ( -3.575 -0.401 -3.627) 5.108 7.911 ( 0.219 -2.593 6.613) 7.106 7.975 ( 3.047 0.483 0.901) 3.214 8.005 ( 2.196 0.242 0.709) 2.320 8.076 ( 2.127 -2.279 -3.912) 5.003 8.198 ( -1.116 2.233 2.899) 3.826 8.280 ( 2.012 2.631 -3.945) 5.151 8.348 ( 2.001 0.290 -1.744) 2.670 8.364 ( 1.702 0.548 -0.065) 1.790 8.708 ( 1.364 -0.230 4.626) 4.828 8.772 ( -2.354 0.082 3.253) 4.016 8.924 ( -2.385 4.550 2.602) 5.759 8.990 ( -0.368 2.382 -2.309) 3.338 9.051 ( 1.675 2.483 0.343) 3.014 9.096 ( 2.642 1.649 -0.793) 3.213 9.207 ( 2.435 -1.508 0.167) 2.869 9.256 ( -0.513 -0.229 -0.765) 0.949 9.268 ( 2.570 1.102 3.656) 4.603 9.344 ( 0.965 -1.325 -0.654) 1.765 9.484 ( -1.497 -1.309 -7.526) 7.784 9.552 ( -1.423 -2.882 -8.654) 9.232 9.718 ( -0.986 0.280 4.930) 5.036 9.759 ( -2.299 3.563 2.863) 5.116 9.860 ( -2.929 1.723 1.905) 3.896 9.913 ( 1.578 -1.640 0.903) 2.448 9.953 ( 0.950 -3.849 -0.906) 4.066 10.063 ( -1.895 -2.241 -0.365) 2.957 10.093 ( 2.927 -1.209 7.651) 8.281 10.181 ( -0.678 0.017 1.218) 1.394 10.232 ( 2.872 5.448 -2.668) 6.711 10.347 ( 3.157 -0.625 -4.435) 5.480 10.380 ( 1.767 -0.080 -0.704) 1.904 10.461 ( -1.224 0.525 0.305) 1.367 10.494 ( -1.805 -1.410 -0.575) 2.361 10.555 ( -1.225 1.507 -2.159) 2.904 10.681 ( 3.959 -4.759 3.951) 7.344 10.768 ( 2.053 -4.968 2.569) 5.958 10.825 ( -0.205 -1.255 0.683) 1.443 10.887 ( -0.888 -3.500 -0.367) 3.629 11.013 ( 0.240 1.919 -1.781) 2.629 11.054 ( -2.149 1.383 0.493) 2.602 11.141 ( 0.027 1.041 -0.396) 1.114 11.196 ( -1.123 -1.557 -0.971) 2.152 11.266 ( -3.420 2.542 2.783) 5.089 11.367 ( 2.057 2.782 -8.733) 9.394 11.626 ( 0.039 0.248 3.371) 3.380 11.685 ( -0.352 -0.141 -0.599) 0.709 11.802 ( -2.044 3.340 4.136) 5.696 11.882 ( 0.786 0.371 -2.670) 2.808 12.001 ( -0.948 4.483 4.842) 6.666 12.110 ( 2.437 0.303 -5.914) 6.404 12.397 ( -3.918 -5.612 9.090) 11.379 12.490 ( 5.512 -2.080 -1.701) 6.132 12.604 ( 3.164 -0.797 -1.194) 3.474 12.829 ( -1.995 4.057 -8.449) 9.582 13.417 ( 0.674 -11.205 4.089) 11.947 13.558 ( 0.351 -11.505 -5.663) 12.828 13.820 ( 5.392 -1.766 -1.394) 5.843 13.949 ( -5.703 -5.549 -1.027) 8.023 14.159 ( 2.132 3.363 3.866) 5.550 14.262 ( -3.168 0.711 1.972) 3.799 14.398 ( -2.084 4.515 1.430) 5.174 14.484 ( 1.051 0.239 -6.509) 6.597 14.940 ( -1.897 1.227 3.928) 4.531 14.968 ( 0.692 1.202 0.322) 1.424 15.063 ( 0.015 1.921 0.394) 1.961 15.081 ( -0.066 2.405 -0.970) 2.594 15.395 ( -0.663 0.711 3.483) 3.616 15.463 ( 1.007 0.090 -2.978) 3.145 17.194 ( 0.362 9.111 4.164) 10.024 17.288 ( -0.382 8.598 -2.240) 8.893 17.558 ( 1.323 1.599 1.489) 2.554 17.594 ( 1.681 3.332 -1.812) 4.148 18.264 ( 12.806 -1.158 0.652) 12.875 18.300 ( 5.035 -3.560 3.495) 7.088 18.513 ( -5.217 -9.132 0.217) 10.519 18.603 ( -8.336 -7.818 -0.385) 11.435 18.953 ( 1.635 1.981 3.226) 4.123 19.006 ( 6.456 0.305 -3.743) 7.468 19.295 ( 1.400 -2.844 1.161) 3.376 19.374 ( 3.904 -6.435 2.161) 7.830 19.423 ( -1.178 3.243 -2.195) 4.089 19.568 ( -0.398 -0.652 -5.289) 5.344 19.805 ( 0.495 -0.136 0.500) 0.716 19.881 ( -0.055 1.796 -1.647) 2.437 20.130 ( -5.664 2.993 0.053) 6.407 20.245 ( -4.610 3.413 -7.746) 9.639 20.642 ( -1.992 0.643 4.304) 4.786 20.723 ( -1.853 0.575 -1.591) 2.509 20.951 ( 0.290 1.042 2.932) 3.125 21.037 ( -3.457 -1.371 4.419) 5.776 21.062 ( -5.573 0.581 2.383) 6.089 21.198 ( -1.988 -2.079 -7.102) 7.663 22.517 ( 2.040 0.083 0.979) 2.265 22.550 ( 0.643 -0.795 0.715) 1.247 22.575 ( -0.059 0.115 -0.644) 0.656 22.586 ( 0.754 -0.210 -0.749) 1.083 ======================= Grid point 81 (45/54) ======================= q-point: (-0.43 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( 0.070 -0.751 3.021) 3.114 1.254 ( 1.549 -2.498 -5.401) 6.149 1.530 ( -14.637 3.018 0.648) 14.959 1.778 ( -17.452 1.681 7.057) 18.900 1.808 ( -0.555 2.803 0.168) 2.862 1.833 ( -4.995 4.977 1.976) 7.323 2.149 ( 4.709 -2.269 -6.439) 8.294 2.193 ( 10.942 1.302 -3.337) 11.513 2.312 ( -2.097 -3.104 1.118) 3.910 2.368 ( 2.247 -1.323 0.211) 2.616 2.387 ( 0.998 -0.641 -2.182) 2.483 2.449 ( -2.419 0.350 -0.801) 2.572 2.482 ( -2.090 -0.807 -5.174) 5.638 2.553 ( 5.844 -0.971 3.322) 6.792 2.601 ( 1.959 -2.977 2.564) 4.390 2.603 ( -1.323 -0.507 -0.400) 1.472 2.703 ( 0.670 -1.700 -0.680) 1.950 2.770 ( -7.961 -2.055 -2.983) 8.746 2.801 ( 3.580 0.599 0.324) 3.644 2.858 ( 2.138 -1.059 -0.403) 2.420 2.967 ( 0.632 2.522 5.320) 5.921 3.004 ( -0.498 0.981 -5.691) 5.797 3.066 ( -1.237 -0.102 3.967) 4.156 3.127 ( 0.070 -2.097 -1.390) 2.517 3.208 ( -0.760 1.119 5.062) 5.240 3.273 ( 0.043 4.285 -1.737) 4.624 3.309 ( -7.988 2.430 3.037) 8.885 3.376 ( -11.973 0.881 3.127) 12.406 3.401 ( 1.726 8.056 0.805) 8.278 3.472 ( -2.785 -1.176 -0.313) 3.039 3.536 ( -6.137 5.487 1.676) 8.401 3.574 ( -6.810 3.421 -2.154) 7.920 3.586 ( 4.435 -1.647 4.400) 6.461 3.630 ( -7.007 0.046 2.121) 7.321 3.672 ( -0.579 1.632 2.797) 3.290 3.789 ( -0.381 2.735 -5.621) 6.263 3.826 ( 2.620 1.751 -3.900) 5.014 3.901 ( 5.259 -0.941 3.655) 6.473 3.943 ( -0.288 4.875 2.759) 5.609 3.961 ( -2.162 -1.757 -1.716) 3.272 4.055 ( 2.705 -0.592 -3.793) 4.696 4.162 ( 7.421 -2.211 -2.778) 8.226 4.227 ( -3.715 -1.512 -3.761) 5.498 4.256 ( 3.086 -0.770 -5.219) 6.112 4.376 ( -7.154 1.016 -0.186) 7.228 4.417 ( -5.999 2.526 0.875) 6.567 4.443 ( 0.858 4.309 -1.803) 4.749 4.484 ( 1.617 1.268 2.171) 2.989 4.687 ( -6.160 1.700 -0.294) 6.397 4.763 ( 2.817 -0.107 -0.733) 2.912 4.865 ( -2.847 -1.455 0.602) 3.253 4.906 ( -2.470 -0.106 0.849) 2.614 4.926 ( 3.695 -1.807 1.547) 4.395 4.955 ( 5.792 -2.865 -0.901) 6.524 5.039 ( 5.618 1.179 0.365) 5.752 5.128 ( 11.505 4.823 -0.583) 12.489 5.209 ( -1.142 -1.976 1.328) 2.641 5.272 ( -0.100 -2.467 -1.976) 3.163 5.378 ( -0.867 0.059 -1.402) 1.649 5.404 ( -1.526 -1.303 1.156) 2.316 5.496 ( 0.186 2.243 3.265) 3.965 5.589 ( 1.793 -0.464 0.304) 1.877 5.660 ( 0.854 -2.540 -0.584) 2.743 5.721 ( 3.557 -1.425 -2.064) 4.352 5.826 ( -2.514 0.071 0.823) 2.646 5.888 ( 1.787 0.281 -0.116) 1.812 5.958 ( -2.449 -0.224 0.164) 2.465 6.054 ( 5.104 -2.218 -0.870) 5.633 6.141 ( 0.529 0.822 5.638) 5.723 6.251 ( 2.939 -1.108 -2.879) 4.261 6.326 ( 2.541 -4.797 3.088) 6.245 6.378 ( 2.742 -4.033 -3.139) 5.800 6.625 ( -2.777 0.344 0.543) 2.851 6.694 ( 3.370 2.224 -0.809) 4.118 6.702 ( -1.236 -0.050 -1.542) 1.976 6.710 ( 0.349 0.205 -0.407) 0.573 6.928 ( -1.090 -0.271 0.591) 1.269 6.937 ( -2.344 0.701 -1.498) 2.869 6.964 ( 1.987 1.846 3.615) 4.520 7.023 ( 2.861 0.695 -1.181) 3.172 7.386 ( -2.205 1.884 2.383) 3.754 7.414 ( 2.507 3.113 4.722) 6.187 7.509 ( -5.787 0.024 -5.768) 8.171 7.540 ( 2.701 1.349 4.683) 5.572 7.930 ( -2.572 -1.458 4.968) 5.781 7.989 ( -2.646 -0.242 0.319) 2.676 8.017 ( -0.714 -1.458 -1.798) 2.422 8.076 ( 0.703 -0.040 -3.368) 3.441 8.188 ( -2.280 2.170 4.214) 5.260 8.275 ( 1.774 -0.867 -3.717) 4.209 8.354 ( -1.346 0.714 -2.410) 2.851 8.386 ( 1.520 1.410 -2.465) 3.221 8.752 ( -1.497 0.993 1.410) 2.284 8.779 ( 2.952 0.228 2.543) 3.903 8.919 ( 0.502 5.328 4.134) 6.762 8.963 ( 0.304 2.626 -2.512) 3.647 9.054 ( -3.024 1.229 1.653) 3.659 9.104 ( -0.357 3.120 -2.691) 4.135 9.215 ( -3.281 -2.676 0.244) 4.240 9.244 ( 0.536 -0.936 0.574) 1.222 9.307 ( -0.909 -0.147 3.078) 3.213 9.364 ( -1.183 -2.173 -4.400) 5.048 9.408 ( -1.515 -1.440 1.959) 2.865 9.483 ( 1.142 -2.578 -5.729) 6.385 9.725 ( -0.298 1.548 4.325) 4.603 9.793 ( 2.945 3.865 0.087) 4.860 9.860 ( 0.727 0.291 3.202) 3.297 9.896 ( 0.015 0.230 -3.295) 3.304 9.985 ( 0.292 -2.826 0.014) 2.841 10.044 ( 2.161 -3.439 -2.703) 4.879 10.154 ( -1.656 -2.168 3.361) 4.329 10.190 ( -0.269 -2.878 5.858) 6.532 10.243 ( -0.736 5.997 -0.780) 6.092 10.316 ( -2.826 0.674 -5.632) 6.337 10.402 ( -2.773 1.403 -3.013) 4.329 10.426 ( 2.926 0.783 1.245) 3.275 10.514 ( 2.615 -0.655 0.608) 2.763 10.524 ( 0.467 0.860 -2.351) 2.547 10.729 ( -3.414 -6.431 0.159) 7.283 10.773 ( 1.107 -5.072 0.155) 5.194 10.844 ( -0.515 -2.441 1.261) 2.795 10.889 ( 2.153 -1.591 0.056) 2.677 10.978 ( -2.626 1.842 1.414) 3.505 11.077 ( 4.289 2.038 -3.758) 6.056 11.107 ( -3.378 -0.873 3.722) 5.101 11.219 ( 3.588 0.230 -1.825) 4.032 11.259 ( -0.154 3.093 3.260) 4.496 11.334 ( 0.567 3.073 -7.121) 7.777 11.648 ( -0.078 -0.285 3.114) 3.128 11.677 ( 0.209 -0.301 -1.617) 1.658 11.804 ( -0.604 1.806 4.486) 4.873 11.886 ( 2.112 1.820 -3.814) 4.724 11.999 ( -2.303 5.801 4.830) 7.892 12.115 ( 1.934 -0.848 -6.115) 6.470 12.349 ( -6.761 -6.231 8.496) 12.519 12.583 ( 6.434 -5.808 -9.138) 12.595 12.685 ( 4.063 3.670 5.868) 8.025 12.736 ( -0.724 4.346 -10.449) 11.340 13.455 ( -0.623 -11.070 5.104) 12.206 13.510 ( -0.581 -13.484 -6.013) 14.775 13.817 ( -6.717 -1.868 -0.969) 7.039 13.916 ( 3.513 -3.490 2.417) 5.510 14.213 ( -1.423 3.186 -0.662) 3.551 14.242 ( 3.062 4.177 2.639) 5.813 14.378 ( -1.546 1.480 3.348) 3.974 14.479 ( 2.441 -1.610 -5.494) 6.223 14.921 ( -2.921 1.626 4.887) 5.921 14.982 ( 0.550 1.019 -0.262) 1.187 15.064 ( 0.019 2.355 0.560) 2.421 15.077 ( 0.181 1.795 -0.664) 1.923 15.394 ( -1.999 1.006 3.939) 4.530 15.459 ( 0.546 -0.190 -2.927) 2.983 17.210 ( -1.416 8.226 2.983) 8.863 17.298 ( 3.364 8.363 -3.353) 9.617 17.563 ( -1.592 2.493 1.240) 3.207 17.596 ( -0.183 2.639 -2.263) 3.481 18.264 ( -9.945 -0.296 1.239) 10.026 18.347 ( -6.918 -4.019 -1.222) 8.093 18.514 ( 3.810 -10.163 0.191) 10.855 18.573 ( 8.832 -7.593 2.040) 11.824 18.948 ( -4.083 2.293 1.945) 5.071 19.043 ( 0.114 -0.229 -5.539) 5.544 19.325 ( 0.068 -1.513 1.652) 2.242 19.364 ( -0.179 2.532 -5.108) 5.704 19.439 ( -1.417 -2.640 2.592) 3.961 19.559 ( 4.605 -5.951 -7.312) 10.493 19.831 ( -2.702 0.817 -1.900) 3.403 19.837 ( 0.889 -0.098 3.291) 3.411 20.071 ( -3.041 7.429 6.656) 10.428 20.191 ( 2.992 2.283 -2.793) 4.686 20.656 ( 0.753 1.642 4.366) 4.725 20.707 ( 1.441 0.028 -1.553) 2.119 20.975 ( 0.518 1.034 5.507) 5.627 21.011 ( -0.326 1.780 -2.988) 3.493 21.067 ( 2.711 -1.618 6.006) 6.785 21.203 ( 6.985 -2.566 -6.991) 10.210 22.535 ( -2.053 -0.197 -0.646) 2.161 22.548 ( 0.175 -0.141 0.925) 0.952 22.568 ( -0.960 -0.312 0.283) 1.048 22.578 ( -0.497 -0.204 -0.430) 0.688 ======================= Grid point 82 (46/54) ======================= q-point: (-0.29 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( -14.789 11.635 -1.153) 18.852 1.219 ( 0.242 1.157 -11.523) 11.583 1.254 ( -10.688 -0.431 8.040) 13.381 1.559 ( -9.651 5.374 7.145) 13.156 1.660 ( -2.171 1.379 1.469) 2.962 1.966 ( 4.768 -0.391 -6.354) 7.954 2.065 ( -7.593 -1.724 -1.869) 8.008 2.078 ( -13.857 -4.289 2.571) 14.732 2.210 ( -5.820 1.871 -13.053) 14.413 2.252 ( -19.409 5.240 -0.324) 20.107 2.347 ( -6.366 -0.621 0.154) 6.398 2.400 ( -1.788 -0.444 -2.739) 3.301 2.487 ( 3.370 0.328 -1.976) 3.920 2.555 ( 0.895 -1.231 -0.422) 1.580 2.562 ( -7.481 0.950 3.033) 8.128 2.656 ( 1.375 -1.029 -3.933) 4.292 2.752 ( 9.491 -2.878 -1.596) 10.045 2.782 ( -4.016 0.241 0.119) 4.025 2.796 ( 6.323 0.046 0.494) 6.342 2.840 ( -3.352 -0.200 1.134) 3.544 2.926 ( -5.147 4.577 8.827) 11.196 3.028 ( 3.704 -2.872 -2.430) 5.279 3.073 ( -0.115 0.101 0.261) 0.303 3.092 ( -0.596 -0.818 -0.771) 1.272 3.222 ( -4.042 2.895 5.807) 7.645 3.264 ( 2.927 0.574 -0.498) 3.024 3.296 ( -0.721 2.060 3.001) 3.710 3.312 ( 1.714 -4.613 1.945) 5.291 3.337 ( -7.157 6.234 0.177) 9.493 3.414 ( -5.440 1.758 0.942) 5.794 3.460 ( -0.994 -0.970 0.228) 1.408 3.488 ( -1.796 6.791 2.597) 7.490 3.543 ( -0.682 3.012 0.802) 3.191 3.655 ( -1.391 1.508 -2.144) 2.968 3.702 ( -2.600 1.112 7.084) 7.628 3.731 ( -2.537 -1.568 0.589) 3.040 3.804 ( -3.653 2.141 -1.617) 4.532 3.894 ( -4.752 4.515 -1.614) 6.751 3.913 ( -3.334 -1.437 -3.840) 5.284 3.995 ( 0.548 2.711 -0.907) 2.910 4.073 ( 2.690 1.195 -1.672) 3.385 4.100 ( 0.723 1.669 -0.052) 1.820 4.183 ( -2.334 0.475 -5.353) 5.859 4.213 ( -0.757 -2.119 2.515) 3.375 4.331 ( 1.766 0.585 -4.206) 4.599 4.400 ( -0.077 0.965 1.831) 2.071 4.475 ( -2.139 -4.801 -3.294) 6.202 4.479 ( -1.660 -3.870 6.706) 7.918 4.592 ( -1.820 -4.671 2.914) 5.799 4.765 ( -1.374 -6.235 -4.044) 7.558 4.804 ( -1.195 -2.165 -3.751) 4.493 4.880 ( -0.708 2.868 0.797) 3.060 4.946 ( 2.182 0.509 -1.926) 2.954 5.069 ( 5.080 -7.881 -3.975) 10.185 5.120 ( -3.197 4.576 7.923) 9.692 5.209 ( 3.700 -2.725 -5.299) 7.014 5.257 ( 3.558 1.583 -3.295) 5.101 5.283 ( 0.053 -1.144 -3.614) 3.791 5.358 ( 4.464 -0.745 1.314) 4.713 5.465 ( 6.563 3.342 0.266) 7.369 5.555 ( 0.724 -2.436 -3.292) 4.159 5.644 ( 3.159 -0.628 1.526) 3.564 5.669 ( 1.601 -4.567 3.670) 6.074 5.833 ( 4.607 2.925 2.115) 5.853 5.856 ( 3.594 1.533 1.431) 4.161 5.899 ( 4.048 3.730 3.853) 6.719 5.978 ( 3.965 2.373 -0.110) 4.622 6.098 ( 1.344 -1.474 -1.981) 2.811 6.205 ( 2.159 1.614 1.725) 3.200 6.321 ( 4.964 1.787 -1.704) 5.544 6.432 ( 5.744 -1.647 0.223) 5.980 6.442 ( 4.931 -5.347 0.179) 7.276 6.572 ( -2.244 -2.126 -1.001) 3.249 6.653 ( -1.435 -1.035 -1.524) 2.335 6.702 ( 0.955 0.317 -3.066) 3.227 6.752 ( 2.151 1.698 1.517) 3.132 6.859 ( -4.123 1.872 -1.609) 4.805 6.965 ( 2.716 -1.082 3.052) 4.227 7.069 ( 5.437 5.361 3.561) 8.425 7.091 ( 4.663 3.640 2.251) 6.329 7.317 ( -6.637 1.159 -5.391) 8.629 7.372 ( -3.592 0.464 1.039) 3.768 7.494 ( 2.375 2.052 4.563) 5.538 7.610 ( -0.339 1.197 6.649) 6.764 7.866 ( -6.717 -3.580 1.139) 7.696 7.915 ( -4.015 -0.226 -2.400) 4.683 7.971 ( -0.721 -1.714 -2.014) 2.741 8.059 ( -0.898 1.340 -1.142) 1.977 8.148 ( -5.487 3.618 2.678) 7.097 8.276 ( -0.673 -0.944 -5.079) 5.210 8.322 ( 1.176 0.403 -0.861) 1.513 8.401 ( 2.946 1.600 -3.088) 4.558 8.723 ( -1.309 -1.011 -1.578) 2.286 8.811 ( -0.514 -0.830 -1.030) 1.419 8.928 ( -4.396 0.563 0.466) 4.457 8.954 ( -3.486 1.107 2.816) 4.616 9.016 ( 0.375 3.817 2.715) 4.699 9.064 ( -1.278 3.196 -2.751) 4.407 9.136 ( -5.596 -3.148 -0.376) 6.431 9.249 ( 0.119 5.321 -1.942) 5.666 9.299 ( 0.409 0.882 -4.481) 4.586 9.338 ( 4.849 -0.532 3.258) 5.866 9.412 ( -1.550 -0.940 4.959) 5.280 9.512 ( 1.885 0.015 1.846) 2.638 9.766 ( 0.369 1.359 4.896) 5.095 9.789 ( -0.781 2.468 -5.401) 5.989 9.892 ( -1.462 -2.202 2.972) 3.977 9.924 ( 3.783 -1.877 2.314) 4.816 9.983 ( 0.769 -1.064 -3.210) 3.468 10.072 ( 1.691 -1.585 -2.335) 3.290 10.121 ( -3.501 -0.362 3.018) 4.637 10.147 ( -5.647 -0.291 -4.794) 7.413 10.215 ( -1.040 0.896 0.438) 1.441 10.255 ( 1.395 2.722 -3.823) 4.896 10.372 ( -2.437 -3.007 0.566) 3.912 10.452 ( -4.479 -3.946 0.026) 5.969 10.471 ( 1.165 -2.105 -0.721) 2.512 10.580 ( 3.762 2.047 -1.511) 4.542 10.703 ( -0.343 -5.790 -0.697) 5.842 10.766 ( 0.788 -3.752 -4.342) 5.792 10.847 ( -0.068 -1.822 0.596) 1.918 10.887 ( -1.545 -3.204 -1.927) 4.046 10.969 ( -0.678 1.847 4.166) 4.607 11.057 ( -1.325 0.528 2.547) 2.919 11.184 ( 4.200 1.071 1.147) 4.483 11.218 ( -0.880 3.159 -4.436) 5.516 11.264 ( -0.333 3.165 0.902) 3.308 11.369 ( 5.432 0.927 -0.495) 5.533 11.648 ( -0.902 -0.217 -0.854) 1.261 11.684 ( 0.875 -1.167 1.151) 1.858 11.825 ( -0.576 -0.936 3.909) 4.061 11.906 ( 2.565 3.731 -4.620) 6.468 11.990 ( -1.633 4.468 4.475) 6.531 12.099 ( 0.946 -1.495 -6.531) 6.766 12.274 ( -7.118 -6.830 8.689) 13.146 12.573 ( 0.372 -6.841 -12.913) 14.618 12.701 ( 3.866 4.155 -9.312) 10.905 12.799 ( 3.246 3.682 5.260) 7.194 13.410 ( -6.647 -6.179 4.375) 10.075 13.480 ( -0.873 -7.521 -3.349) 8.279 13.749 ( 0.888 -2.574 -0.066) 2.724 13.973 ( 0.454 -6.799 4.808) 8.340 14.160 ( -2.540 4.058 -2.397) 5.354 14.333 ( 3.921 6.227 3.736) 8.253 14.384 ( 0.160 -1.537 0.651) 1.677 14.502 ( 2.895 -1.462 -2.443) 4.060 14.903 ( -2.458 0.368 5.619) 6.144 14.975 ( -0.835 -0.279 -0.933) 1.283 15.070 ( 0.065 1.593 0.035) 1.595 15.089 ( 1.550 3.079 0.026) 3.447 15.382 ( -2.033 0.261 5.155) 5.547 15.448 ( 0.379 -0.611 -2.803) 2.894 17.194 ( -0.921 5.339 -0.456) 5.437 17.341 ( 2.464 7.076 -2.164) 7.799 17.518 ( -3.666 2.742 0.036) 4.578 17.558 ( -1.951 3.815 -2.582) 5.003 18.048 ( -11.621 2.548 -1.323) 11.970 18.199 ( -6.899 1.510 -2.687) 7.556 18.589 ( 3.237 -10.089 1.372) 10.684 18.720 ( 3.014 -6.215 0.921) 6.969 18.852 ( -5.598 1.318 -0.699) 5.793 18.963 ( -3.117 0.885 -4.415) 5.477 19.249 ( -5.530 -5.488 -4.347) 8.922 19.360 ( -0.203 0.632 -1.411) 1.559 19.439 ( 1.704 1.709 0.512) 2.467 19.610 ( 3.415 -3.670 -2.973) 5.829 19.788 ( -1.496 0.394 -0.064) 1.548 19.852 ( -0.440 0.651 1.012) 1.281 20.151 ( 6.070 3.994 12.138) 14.147 20.298 ( 7.341 0.058 3.656) 8.201 20.697 ( 1.818 -1.456 -0.482) 2.379 20.765 ( 3.798 -0.531 1.892) 4.276 20.997 ( 1.417 4.485 -3.219) 5.700 21.063 ( 4.257 2.197 3.340) 5.840 21.189 ( 5.787 -1.007 7.890) 9.836 21.332 ( 10.764 -2.399 -6.259) 12.681 22.477 ( -3.213 0.353 -0.744) 3.317 22.537 ( -1.709 -1.292 -0.592) 2.223 22.542 ( -1.713 0.066 1.132) 2.054 22.563 ( -1.374 -0.318 0.021) 1.410 ======================= Grid point 83 (47/54) ======================= q-point: (-0.14 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( -9.814 11.223 10.546) 18.262 1.154 ( -12.966 10.607 17.783) 24.431 1.181 ( 5.578 -2.583 -14.951) 16.165 1.526 ( 0.069 -2.547 3.858) 4.624 1.564 ( -9.127 0.797 -12.182) 15.242 1.796 ( -11.966 9.788 -4.689) 16.155 1.868 ( -10.843 11.924 3.433) 16.478 1.963 ( -0.758 -5.522 1.204) 5.702 2.025 ( -4.541 -1.677 0.738) 4.897 2.054 ( -2.747 -1.608 -4.113) 5.201 2.248 ( -4.383 3.346 -0.011) 5.514 2.324 ( -2.511 0.119 -1.603) 2.982 2.429 ( -4.280 2.783 5.105) 7.219 2.545 ( 3.502 -0.481 -0.490) 3.569 2.592 ( 1.181 -1.573 -0.722) 2.095 2.640 ( -5.695 -0.988 1.216) 5.906 2.714 ( -3.126 -0.566 -0.480) 3.213 2.763 ( 2.721 1.356 -2.597) 3.999 2.800 ( -3.503 2.808 5.248) 6.906 2.871 ( -2.193 2.276 -1.306) 3.420 2.972 ( -0.139 1.593 2.672) 3.114 3.008 ( -0.179 -1.882 -0.945) 2.114 3.114 ( 0.970 -1.973 -3.420) 4.066 3.127 ( 1.473 0.260 -2.004) 2.500 3.178 ( -3.994 1.174 0.964) 4.273 3.215 ( 0.281 3.098 -0.201) 3.117 3.245 ( -0.779 -0.548 -2.620) 2.788 3.304 ( -0.759 -4.396 0.871) 4.545 3.314 ( -2.045 1.969 0.923) 2.985 3.353 ( -0.534 2.578 -0.905) 2.784 3.412 ( -3.100 4.452 3.981) 6.729 3.551 ( 4.495 2.144 1.599) 5.231 3.573 ( 1.577 2.972 -0.063) 3.365 3.640 ( -3.284 -0.128 -1.897) 3.795 3.660 ( -1.030 3.908 0.851) 4.130 3.683 ( -5.297 1.450 -3.068) 6.291 3.739 ( 1.533 -0.547 0.763) 1.798 3.785 ( 0.984 5.683 -3.043) 6.521 3.846 ( -2.987 -3.554 -3.036) 5.547 3.993 ( -3.049 3.738 2.197) 5.300 4.023 ( -4.631 2.377 -2.649) 5.840 4.125 ( 0.585 0.306 -0.974) 1.176 4.155 ( -1.160 -5.196 2.032) 5.699 4.235 ( 2.271 -2.949 0.700) 3.787 4.375 ( 0.102 -1.398 0.920) 1.677 4.396 ( 2.164 -4.059 0.090) 4.600 4.462 ( 0.779 -6.125 6.909) 9.266 4.514 ( 1.119 -1.684 3.420) 3.973 4.570 ( -1.224 0.215 -0.928) 1.551 4.724 ( -1.123 -11.905 -1.061) 12.005 4.759 ( 0.058 -7.293 -5.244) 8.983 4.830 ( -3.632 2.500 0.330) 4.422 5.001 ( 0.011 3.184 3.967) 5.086 5.087 ( -0.083 -3.505 -7.595) 8.365 5.136 ( 1.887 -11.546 -0.203) 11.701 5.186 ( 0.487 -0.889 -3.549) 3.691 5.280 ( 5.491 1.493 0.792) 5.745 5.340 ( 2.580 -0.340 0.300) 2.619 5.441 ( 0.311 -3.925 1.915) 4.378 5.515 ( -0.630 -5.743 -4.581) 7.373 5.562 ( 5.208 0.123 -3.027) 6.025 5.708 ( 2.534 0.301 2.821) 3.804 5.756 ( 4.229 -0.087 3.324) 5.380 5.889 ( 3.744 8.830 1.606) 9.724 5.965 ( 4.192 0.174 3.136) 5.238 6.035 ( 0.663 1.368 -1.783) 2.343 6.058 ( 5.210 3.685 2.159) 6.737 6.111 ( 3.834 1.743 -3.480) 5.463 6.238 ( 0.592 4.836 1.387) 5.066 6.345 ( -0.917 4.129 -3.324) 5.379 6.487 ( 0.806 -0.872 -3.178) 3.392 6.506 ( 0.618 -0.125 -0.567) 0.847 6.564 ( 2.681 -3.926 -0.085) 4.755 6.629 ( 0.641 -4.014 -2.671) 4.864 6.712 ( -1.662 0.431 -1.444) 2.244 6.759 ( -1.693 -0.586 0.890) 2.001 6.868 ( 7.183 2.755 1.430) 7.825 7.047 ( 4.069 0.363 1.714) 4.430 7.129 ( -3.822 5.686 -2.158) 7.183 7.205 ( 5.089 6.565 1.365) 8.418 7.225 ( 4.370 4.730 6.096) 8.867 7.349 ( -3.372 -0.557 6.895) 7.695 7.534 ( -1.863 -0.027 4.358) 4.740 7.600 ( -3.202 2.167 2.957) 4.867 7.758 ( -4.833 -4.026 0.076) 6.291 7.825 ( -1.465 -2.558 -6.735) 7.352 7.946 ( -2.925 -0.244 0.117) 2.938 8.009 ( -7.227 1.084 2.847) 7.843 8.077 ( 1.499 2.249 -0.121) 2.706 8.231 ( -1.430 3.712 -2.169) 4.531 8.342 ( 4.149 0.140 -6.039) 7.328 8.459 ( 5.002 2.283 -3.164) 6.344 8.682 ( -2.581 -3.625 -3.231) 5.499 8.747 ( -6.229 -1.298 -0.445) 6.378 8.812 ( -7.711 0.088 2.810) 8.207 8.889 ( -4.824 -1.550 2.167) 5.511 8.976 ( -5.895 2.910 -0.172) 6.576 9.047 ( 0.742 -1.160 -1.596) 2.108 9.086 ( 3.409 0.468 1.187) 3.640 9.231 ( -0.338 3.302 -2.835) 4.365 9.362 ( 7.898 3.663 -0.024) 8.706 9.433 ( 1.857 0.630 3.003) 3.587 9.491 ( 7.921 3.611 -2.411) 9.033 9.557 ( 0.066 2.110 5.355) 5.756 9.681 ( -5.783 0.724 -2.789) 6.461 9.828 ( 1.465 2.152 -0.859) 2.742 9.864 ( -4.244 -0.208 3.465) 5.483 9.930 ( -3.772 1.775 -1.873) 4.570 9.967 ( -1.424 -3.811 -1.780) 4.440 10.027 ( -2.067 -1.294 -1.308) 2.767 10.075 ( -1.021 -3.053 0.045) 3.220 10.102 ( -0.466 0.746 1.071) 1.386 10.149 ( -4.574 -2.229 0.571) 5.120 10.272 ( 0.082 -1.609 1.007) 1.900 10.326 ( 1.546 -1.590 -0.638) 2.308 10.433 ( 0.164 -3.235 -1.869) 3.740 10.477 ( 0.156 -2.971 -0.067) 2.976 10.565 ( -7.116 -3.227 -5.079) 9.319 10.656 ( 2.659 1.304 -3.096) 4.284 10.778 ( 1.409 -4.491 -1.980) 5.107 10.814 ( 0.369 -1.336 -1.469) 2.020 10.912 ( 0.248 2.319 1.056) 2.561 10.986 ( -0.529 0.291 4.931) 4.968 11.046 ( -1.784 -0.309 4.492) 4.843 11.166 ( -2.190 -0.225 -0.201) 2.210 11.215 ( 0.383 -0.186 -2.316) 2.355 11.320 ( 4.292 5.127 1.490) 6.850 11.459 ( 3.262 3.105 -1.400) 4.716 11.628 ( 0.108 -1.791 0.647) 1.908 11.719 ( 1.769 -0.558 2.419) 3.048 11.820 ( -1.918 -3.155 1.622) 4.033 11.899 ( -0.354 6.514 -4.869) 8.140 12.011 ( 1.702 -1.117 2.423) 3.165 12.082 ( 1.359 -0.624 -4.157) 4.418 12.197 ( -7.073 -7.226 8.587) 13.266 12.468 ( -1.967 -7.585 -13.066) 15.236 12.732 ( 4.540 3.243 -6.214) 8.351 12.843 ( -1.108 1.891 1.032) 2.422 13.320 ( -5.836 1.662 6.687) 9.030 13.427 ( -0.990 1.823 -5.256) 5.651 13.822 ( 4.982 -3.759 2.064) 6.573 14.000 ( -1.011 -6.824 3.741) 7.848 14.118 ( -0.960 0.300 2.324) 2.532 14.365 ( -0.661 -6.520 -5.237) 8.389 14.423 ( 2.121 8.552 5.697) 10.492 14.547 ( 2.756 1.917 -1.294) 3.598 14.903 ( -1.553 -0.759 5.426) 5.695 14.952 ( -0.783 -0.986 -0.678) 1.430 15.074 ( 0.448 1.581 0.019) 1.643 15.110 ( 0.778 2.313 -1.530) 2.880 15.388 ( -1.346 -2.280 5.224) 5.856 15.447 ( 1.293 -1.090 -2.249) 2.814 17.186 ( 1.375 4.644 -0.941) 4.934 17.346 ( -1.153 3.520 -0.815) 3.793 17.447 ( -2.867 3.206 -0.827) 4.379 17.498 ( -2.674 6.029 -3.437) 7.438 17.856 ( -7.987 6.615 1.556) 10.487 18.060 ( -4.811 8.969 -7.685) 12.753 18.628 ( -0.431 -5.142 0.990) 5.254 18.685 ( -3.725 -1.997 -1.895) 4.631 18.759 ( -2.962 0.202 1.177) 3.194 18.924 ( -0.861 5.615 -4.621) 7.322 19.155 ( -2.275 -15.496 4.437) 16.278 19.341 ( 0.217 -1.298 -3.646) 3.877 19.484 ( 2.400 2.750 0.894) 3.758 19.616 ( -1.827 -0.984 -0.821) 2.231 19.782 ( 1.660 -0.532 -0.237) 1.760 19.855 ( 0.129 -0.643 -0.388) 0.762 20.416 ( 12.207 -1.255 8.982) 15.208 20.469 ( 8.065 -3.187 4.232) 9.649 20.717 ( 0.998 -2.581 -1.489) 3.142 20.828 ( 0.916 -3.234 2.616) 4.260 21.008 ( 2.182 8.039 -3.894) 9.195 21.119 ( 0.222 2.081 -0.885) 2.272 21.372 ( 6.126 -1.893 9.689) 11.618 21.493 ( 9.749 -1.622 -5.022) 11.086 22.427 ( -1.474 0.651 0.257) 1.631 22.503 ( -1.688 -1.014 0.037) 1.970 22.504 ( -2.498 -0.446 -0.322) 2.558 22.531 ( -1.763 -0.416 -0.356) 1.846 ======================= Grid point 84 (48/54) ======================= q-point: ( 0.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( -2.014 8.402 6.935) 11.079 1.128 ( 1.290 -4.548 -5.679) 7.389 1.220 ( -3.005 9.266 8.013) 12.613 1.326 ( -2.224 -3.037 -0.845) 3.858 1.467 ( 3.041 -2.516 -9.008) 9.835 1.534 ( 1.605 -9.438 -12.790) 15.977 1.957 ( 0.121 3.044 3.366) 4.540 2.015 ( 2.666 -2.193 0.681) 3.519 2.083 ( 1.942 5.479 1.908) 6.118 2.177 ( -3.619 0.200 -5.484) 6.574 2.243 ( -4.392 0.639 -0.655) 4.486 2.262 ( 5.428 5.957 -2.680) 8.493 2.501 ( -0.485 2.761 4.776) 5.538 2.544 ( 0.451 -1.676 0.247) 1.753 2.642 ( -0.998 11.122 6.677) 13.011 2.700 ( 4.207 6.528 0.356) 7.775 2.796 ( 2.835 5.465 3.312) 6.991 2.830 ( -0.517 1.506 -2.441) 2.914 2.873 ( -1.160 0.631 0.991) 1.651 2.888 ( -2.572 -0.783 -0.960) 2.854 2.945 ( -0.777 0.997 0.331) 1.306 2.976 ( -2.792 -2.009 -0.213) 3.446 3.065 ( -0.601 2.923 3.502) 4.601 3.099 ( 0.441 -3.523 -0.693) 3.618 3.122 ( -1.958 -1.435 -1.675) 2.949 3.161 ( 1.429 4.972 -0.359) 5.186 3.243 ( 1.133 -5.872 2.780) 6.595 3.281 ( 0.676 -3.830 -1.456) 4.153 3.290 ( -1.735 2.881 3.369) 4.760 3.454 ( 0.825 -2.711 0.621) 2.901 3.496 ( 1.126 5.747 2.690) 6.445 3.542 ( 0.378 4.355 0.874) 4.457 3.593 ( -0.212 5.029 -1.651) 5.297 3.614 ( -2.433 2.762 -4.064) 5.482 3.653 ( 1.105 -2.518 4.769) 5.505 3.676 ( -0.792 -2.204 0.855) 2.493 3.760 ( -0.643 -4.495 1.752) 4.867 3.810 ( 6.096 -5.774 0.442) 8.408 3.869 ( -5.844 -0.703 0.699) 5.928 3.905 ( 1.430 -0.147 -1.247) 1.903 3.981 ( -0.440 4.043 1.446) 4.316 4.097 ( 2.698 -6.055 -10.643) 12.539 4.136 ( -0.868 2.860 3.723) 4.774 4.206 ( -1.731 -1.331 -1.551) 2.678 4.281 ( -2.419 1.264 4.755) 5.483 4.388 ( 1.950 -2.730 -6.117) 6.976 4.444 ( 3.139 -0.214 0.805) 3.248 4.517 ( -0.327 -6.931 5.410) 8.799 4.557 ( -3.144 -1.809 1.193) 3.818 4.565 ( 0.832 0.946 -1.827) 2.220 4.627 ( 5.325 -6.623 1.881) 8.704 4.691 ( -2.046 -6.582 -4.725) 8.357 5.003 ( -0.951 -0.768 -4.520) 4.682 5.051 ( -0.208 -6.018 -7.813) 9.864 5.094 ( 0.628 5.194 1.718) 5.507 5.117 ( 1.454 4.763 -0.120) 4.981 5.270 ( -3.611 -1.768 -0.405) 4.041 5.309 ( 1.266 -4.191 -3.102) 5.365 5.364 ( -1.064 -3.188 -0.739) 3.441 5.370 ( -1.030 -3.958 0.294) 4.101 5.668 ( 2.867 1.136 2.277) 3.833 5.696 ( -0.436 -1.442 -0.255) 1.528 5.891 ( -0.592 0.260 2.065) 2.164 5.920 ( -0.763 -2.459 -1.224) 2.851 6.072 ( -0.205 5.153 2.762) 5.850 6.103 ( -0.917 2.955 -0.340) 3.113 6.158 ( 1.352 2.097 1.525) 2.924 6.178 ( 0.632 0.834 0.067) 1.048 6.387 ( -1.997 5.215 -2.486) 6.112 6.396 ( 0.788 4.903 -2.228) 5.443 6.456 ( -1.535 -1.885 -1.574) 2.896 6.466 ( 0.844 -2.353 -3.761) 4.516 6.597 ( 4.767 1.973 1.326) 5.327 6.631 ( -3.721 0.478 -2.003) 4.252 6.657 ( 6.445 -2.302 2.036) 7.140 6.675 ( -5.698 -2.690 0.289) 6.308 6.981 ( -4.552 1.820 0.909) 4.986 7.009 ( 0.110 -0.664 -1.884) 2.001 7.256 ( -3.090 0.012 5.403) 6.225 7.272 ( 3.539 -1.287 3.709) 5.286 7.405 ( -1.278 5.392 9.639) 11.118 7.434 ( -0.708 1.364 7.976) 8.123 7.584 ( 4.446 3.050 -0.471) 5.412 7.627 ( 0.171 -1.276 -1.989) 2.370 7.659 ( 2.169 2.977 -2.704) 4.569 7.712 ( -0.808 -2.329 -6.349) 6.811 7.930 ( 0.732 0.610 3.120) 3.263 7.945 ( -2.119 -0.234 2.058) 2.963 8.179 ( 1.212 2.664 0.198) 2.934 8.221 ( -2.476 -0.826 -3.676) 4.508 8.379 ( -1.727 0.835 -2.080) 2.829 8.412 ( -1.773 -3.130 -5.266) 6.377 8.652 ( 2.941 3.453 2.763) 5.311 8.699 ( 0.847 2.295 -1.315) 2.777 8.733 ( 2.592 -2.320 1.212) 3.684 8.759 ( -1.694 -2.254 -1.035) 3.004 8.986 ( -1.671 2.209 0.017) 2.770 9.024 ( 1.327 -1.673 -3.853) 4.405 9.167 ( 1.170 0.264 1.973) 2.309 9.184 ( -2.086 -1.561 0.117) 2.608 9.535 ( 0.842 2.745 6.100) 6.742 9.559 ( 0.054 1.513 2.912) 3.282 9.580 ( -3.802 2.634 -0.173) 4.628 9.599 ( -1.074 1.109 -0.199) 1.557 9.689 ( 1.126 5.676 3.242) 6.633 9.798 ( -2.875 -5.424 8.536) 10.514 9.819 ( -0.228 6.204 -4.882) 7.898 9.922 ( -1.695 0.041 4.291) 4.614 9.936 ( 3.237 -1.951 0.885) 3.882 9.975 ( -1.997 -1.070 -1.790) 2.888 9.994 ( 3.371 -1.443 -3.683) 5.197 10.048 ( 1.535 -5.820 -8.251) 10.213 10.205 ( 0.781 3.160 3.721) 4.944 10.232 ( -0.200 -0.316 1.891) 1.928 10.308 ( -0.812 -1.639 0.234) 1.844 10.318 ( -3.115 -3.487 2.629) 5.364 10.390 ( 1.112 2.787 -7.929) 8.477 10.467 ( 2.901 -3.845 -9.236) 10.417 10.627 ( -1.650 -2.402 3.628) 4.653 10.672 ( 0.275 -6.220 -0.720) 6.267 10.935 ( -1.463 4.653 -0.655) 4.922 10.939 ( 1.547 4.380 -1.190) 4.795 11.007 ( 0.863 -1.244 4.562) 4.807 11.046 ( -3.929 -4.296 3.560) 6.824 11.105 ( 2.212 3.909 -2.644) 5.212 11.186 ( 3.773 -4.325 -6.594) 8.742 11.520 ( 2.160 7.585 2.575) 8.296 11.552 ( -3.433 6.413 -0.328) 7.282 11.653 ( 2.566 -2.070 2.226) 3.978 11.692 ( -2.870 -5.545 -0.813) 6.297 11.797 ( 1.015 3.148 5.358) 6.297 11.892 ( -2.323 0.276 -0.650) 2.428 11.929 ( -2.031 -4.928 1.576) 5.558 12.014 ( 2.064 -7.183 -3.870) 8.416 12.171 ( 0.891 3.963 -0.452) 4.087 12.245 ( 1.123 -4.768 -8.245) 9.590 12.829 ( -1.964 3.347 -0.403) 3.902 12.849 ( 1.838 1.793 -2.633) 3.677 13.368 ( -0.915 3.461 4.512) 5.759 13.431 ( 1.205 -2.648 -2.199) 3.647 13.901 ( 1.382 0.796 2.629) 3.075 13.923 ( -0.444 -0.814 1.340) 1.629 14.097 ( -0.804 -0.364 0.668) 1.107 14.165 ( -0.186 -6.681 -5.543) 8.683 14.595 ( 0.209 4.189 3.686) 5.583 14.625 ( 1.171 0.862 0.714) 1.620 14.900 ( -0.789 0.628 2.994) 3.159 14.925 ( 0.056 -1.525 -0.058) 1.528 15.104 ( -1.397 1.432 2.315) 3.059 15.121 ( -0.550 -0.165 1.509) 1.615 15.377 ( -0.601 1.460 2.023) 2.566 15.418 ( 1.128 -2.586 -1.928) 3.417 17.343 ( 2.480 5.022 0.385) 5.614 17.362 ( -1.203 4.654 -1.621) 5.073 17.428 ( -0.550 -2.803 0.567) 2.912 17.448 ( 0.538 -3.287 -1.518) 3.661 18.067 ( 0.476 15.507 4.333) 16.108 18.168 ( -1.264 7.763 -6.600) 10.268 18.583 ( -0.820 -2.284 0.159) 2.432 18.587 ( -0.092 -3.016 -0.203) 3.024 18.789 ( 0.525 2.817 5.572) 6.265 18.897 ( -0.065 -6.217 0.799) 6.268 18.986 ( 0.640 1.776 -1.597) 2.473 19.156 ( -1.648 -11.436 -12.226) 16.821 19.569 ( -0.270 1.820 1.547) 2.404 19.584 ( 1.781 0.429 -0.161) 1.839 19.797 ( 0.870 -0.633 -0.188) 1.092 19.808 ( -0.503 -1.545 -1.197) 2.018 20.502 ( -0.531 -0.256 3.973) 4.017 20.531 ( 1.797 -3.339 1.446) 4.058 20.747 ( 2.477 -1.135 1.090) 2.935 20.758 ( -1.217 -2.189 -0.074) 2.506 21.124 ( -2.735 3.492 0.189) 4.439 21.140 ( -0.763 2.223 -1.445) 2.759 21.455 ( -0.419 1.698 3.857) 4.235 21.519 ( 2.004 -4.402 -3.029) 5.707 22.446 ( 1.127 0.718 0.938) 1.632 22.457 ( -0.286 -0.351 0.036) 0.454 22.482 ( -0.257 0.162 -0.007) 0.304 22.492 ( -0.649 -0.765 -0.771) 1.265 ======================= Grid point 85 (49/54) ======================= q-point: ( 0.14 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( -0.728 9.134 6.361) 11.154 1.155 ( 7.282 -0.474 -5.336) 9.040 1.323 ( -2.569 -2.206 4.198) 5.393 1.425 ( 13.050 -0.567 8.645) 15.664 1.555 ( 9.676 -3.806 -7.760) 12.974 1.590 ( 16.799 -1.933 -9.006) 19.159 1.999 ( -0.522 1.614 -3.444) 3.839 2.027 ( 2.081 9.723 2.738) 10.313 2.091 ( -0.862 -7.613 -7.810) 10.941 2.166 ( 4.839 -2.581 4.920) 7.368 2.221 ( 2.894 10.021 2.036) 10.627 2.340 ( 2.414 -0.913 -2.372) 3.506 2.553 ( 2.604 2.386 2.863) 4.546 2.567 ( -2.343 0.022 -0.064) 2.344 2.589 ( -2.951 5.569 -1.137) 6.404 2.664 ( 4.255 -1.837 -0.683) 4.685 2.733 ( -7.343 3.439 -1.641) 8.273 2.771 ( -8.446 5.643 -1.553) 10.275 2.840 ( -5.424 -4.181 1.027) 6.925 2.878 ( -6.646 -2.955 0.612) 7.299 2.964 ( 3.194 0.882 2.191) 3.972 2.985 ( 2.732 -1.057 4.399) 5.285 3.074 ( 1.738 1.044 0.190) 2.036 3.133 ( 4.719 -3.621 0.705) 5.990 3.186 ( 2.951 0.650 -0.142) 3.025 3.218 ( 0.184 -3.182 -0.154) 3.191 3.260 ( 7.201 4.331 -2.190) 8.684 3.311 ( 3.128 8.075 10.007) 13.234 3.378 ( 5.936 -0.790 -0.268) 5.994 3.478 ( 3.194 -1.300 0.849) 3.551 3.513 ( 1.956 8.101 -7.594) 11.274 3.576 ( -0.034 -1.029 -0.393) 1.102 3.586 ( 5.062 9.466 1.172) 10.798 3.627 ( 1.381 6.761 0.473) 6.917 3.658 ( 1.008 0.888 -0.904) 1.619 3.696 ( -0.840 0.294 1.249) 1.534 3.776 ( 1.668 2.472 -0.848) 3.101 3.799 ( 0.186 -2.485 2.870) 3.801 3.923 ( 5.941 -6.890 -1.825) 9.279 4.006 ( 8.000 -9.085 0.376) 12.111 4.058 ( 6.665 -0.562 0.486) 6.706 4.073 ( 2.781 -4.008 -4.529) 6.656 4.196 ( 1.960 -1.690 5.893) 6.436 4.207 ( 0.478 11.541 -1.630) 11.665 4.240 ( -3.547 -3.675 5.349) 7.395 4.384 ( 1.551 2.213 -7.765) 8.222 4.444 ( -2.741 -4.268 -3.852) 6.369 4.499 ( -1.984 0.501 2.115) 2.943 4.517 ( -2.899 -2.105 1.048) 3.733 4.541 ( -0.245 -9.818 -0.282) 9.825 4.639 ( -0.061 -3.056 -3.689) 4.790 4.710 ( 2.385 -9.202 -1.307) 9.595 4.924 ( -5.114 -1.726 -1.250) 5.541 4.984 ( -2.741 -5.997 -0.764) 6.638 5.124 ( 1.698 4.904 -1.268) 5.342 5.190 ( 5.968 4.495 -0.213) 7.475 5.213 ( -3.078 2.743 2.741) 4.951 5.352 ( 3.148 -5.906 0.344) 6.701 5.357 ( -0.200 -2.054 1.856) 2.776 5.378 ( 1.431 -3.406 1.405) 3.953 5.621 ( -5.250 3.647 -3.527) 7.301 5.683 ( -1.296 -2.998 -0.180) 3.271 5.814 ( -6.962 2.272 0.361) 7.332 5.899 ( -4.092 -5.874 2.220) 7.495 6.046 ( -3.724 3.403 1.234) 5.193 6.052 ( -3.522 2.856 1.099) 4.665 6.129 ( -5.165 3.263 -0.701) 6.150 6.153 ( -4.079 0.323 -1.812) 4.475 6.334 ( -4.473 5.675 0.203) 7.228 6.408 ( 2.274 4.036 1.535) 4.880 6.423 ( -2.558 -2.646 0.509) 3.716 6.472 ( -1.155 -3.617 1.665) 4.146 6.531 ( -1.909 0.352 -2.424) 3.106 6.549 ( -2.124 -1.224 -4.134) 4.806 6.698 ( 1.427 2.324 1.376) 3.055 6.764 ( 1.249 -2.984 -0.457) 3.267 6.909 ( -2.746 2.957 2.912) 4.976 6.964 ( -2.532 -2.920 3.668) 5.329 7.262 ( 0.199 4.775 1.415) 4.984 7.316 ( -5.059 2.779 2.879) 6.450 7.345 ( -5.388 3.050 1.325) 6.332 7.388 ( -4.819 -2.004 0.083) 5.219 7.623 ( -0.331 2.339 -2.315) 3.307 7.648 ( 0.315 1.622 -0.226) 1.668 7.716 ( 6.845 -1.619 -0.670) 7.065 7.720 ( 5.171 -3.384 -2.670) 6.732 7.980 ( 2.578 3.657 1.020) 4.589 8.039 ( 5.941 -1.938 1.366) 6.397 8.122 ( -2.909 1.322 -0.571) 3.246 8.145 ( -0.309 -1.563 0.480) 1.664 8.352 ( 0.018 3.746 1.523) 4.044 8.404 ( -0.477 -1.802 1.437) 2.354 8.699 ( 0.780 3.245 -4.296) 5.440 8.739 ( 3.044 -1.387 -1.874) 3.834 8.857 ( 11.851 1.542 -0.115) 11.951 8.895 ( 10.634 -2.237 -0.362) 10.872 8.937 ( -2.577 -0.265 1.648) 3.071 8.965 ( -3.088 -2.865 -0.073) 4.213 9.154 ( -1.001 3.548 0.802) 3.772 9.205 ( 0.709 -1.192 1.920) 2.368 9.455 ( -6.967 5.489 2.979) 9.356 9.519 ( -5.123 -0.046 -0.532) 5.151 9.590 ( 1.534 5.080 -1.557) 5.530 9.636 ( 3.822 0.260 3.172) 4.974 9.737 ( -1.886 2.813 -0.504) 3.424 9.755 ( -1.499 1.644 2.605) 3.426 9.812 ( -2.898 -1.101 4.171) 5.197 9.875 ( -2.704 -7.078 3.111) 8.191 9.945 ( -0.550 4.320 -1.251) 4.531 10.005 ( 3.003 0.935 -3.203) 4.489 10.031 ( 3.580 -3.200 -3.678) 6.048 10.082 ( 6.659 -4.990 -3.540) 9.043 10.226 ( -0.311 2.015 1.458) 2.507 10.261 ( -2.495 -1.590 2.801) 4.074 10.318 ( 5.189 0.284 0.329) 5.207 10.359 ( 4.742 -4.013 5.290) 8.159 10.385 ( 3.021 2.503 -4.837) 6.228 10.447 ( 1.210 -4.428 -8.506) 9.666 10.606 ( -3.541 -1.125 4.635) 5.941 10.660 ( -1.213 -4.995 -0.918) 5.222 10.865 ( -2.160 4.260 -1.147) 4.912 10.931 ( -3.357 -2.094 -1.052) 4.094 11.042 ( -0.523 -0.237 3.220) 3.271 11.054 ( 1.013 -1.364 4.119) 4.456 11.144 ( 4.777 4.013 -4.787) 7.864 11.215 ( 3.602 -3.427 -6.841) 8.456 11.461 ( -4.970 5.821 0.054) 7.654 11.519 ( -5.759 1.522 1.426) 6.125 11.624 ( -0.552 2.011 0.708) 2.202 11.715 ( 0.712 -4.697 1.641) 5.026 11.786 ( -0.782 2.946 1.128) 3.250 11.874 ( -3.306 -5.147 2.167) 6.490 11.959 ( 5.481 4.527 1.194) 7.208 12.102 ( 6.295 -8.819 0.380) 10.842 12.178 ( 0.600 3.444 -1.468) 3.792 12.251 ( 4.237 -4.666 -6.459) 9.024 12.766 ( -3.988 7.073 0.655) 8.146 12.871 ( 1.229 -2.945 -1.450) 3.505 13.370 ( -1.713 3.085 2.475) 4.310 13.442 ( 1.308 -3.359 -2.595) 4.442 13.834 ( -4.783 1.728 -0.840) 5.154 13.910 ( -3.005 -5.500 0.654) 6.301 14.118 ( 2.339 1.869 1.151) 3.207 14.191 ( 2.958 -5.212 -0.406) 6.006 14.593 ( -1.928 3.946 0.708) 4.449 14.620 ( -1.100 1.196 -2.349) 2.857 14.914 ( 0.376 0.448 2.361) 2.433 14.932 ( 0.722 -1.370 0.045) 1.549 15.094 ( -0.996 2.353 2.564) 3.620 15.123 ( -0.476 -0.470 1.865) 1.982 15.384 ( 0.301 2.074 1.088) 2.362 15.430 ( 1.470 -2.605 -2.119) 3.666 17.314 ( -0.123 6.260 -1.291) 6.393 17.408 ( 1.336 -3.368 -0.590) 3.671 17.436 ( 4.078 5.894 0.073) 7.168 17.532 ( 5.689 -3.089 -0.783) 6.520 18.101 ( -0.015 10.780 -0.054) 10.780 18.126 ( 1.050 11.020 1.009) 11.116 18.530 ( -4.342 -3.800 0.630) 5.804 18.591 ( -0.975 -6.172 0.981) 6.325 18.805 ( 1.975 4.253 0.324) 4.700 18.963 ( 1.386 -12.875 -0.160) 12.950 18.986 ( 3.092 5.764 -1.237) 6.657 19.131 ( 3.665 -9.115 -0.358) 9.831 19.565 ( 0.069 4.270 -0.990) 4.384 19.625 ( 2.374 -1.783 -2.323) 3.770 19.790 ( -0.058 0.429 -0.657) 0.787 19.811 ( 0.602 -2.033 0.064) 2.121 20.456 ( -5.770 1.551 0.946) 6.049 20.508 ( -3.222 -3.225 -2.052) 4.999 20.711 ( -2.816 1.379 -0.922) 3.268 20.770 ( -0.929 -5.114 -0.151) 5.200 21.060 ( -4.689 5.337 3.690) 8.006 21.117 ( -2.782 -0.801 2.896) 4.095 21.397 ( -7.229 2.594 1.296) 7.789 21.462 ( -5.313 -3.853 -4.304) 7.849 22.455 ( 0.862 1.197 -0.781) 1.669 22.480 ( 1.351 -1.437 -0.505) 2.036 22.500 ( 2.394 0.556 0.775) 2.577 22.512 ( 2.362 -0.694 0.641) 2.543 ======================= Grid point 86 (50/54) ======================= q-point: ( 0.29 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( 1.943 7.598 5.294) 9.462 1.225 ( -4.143 -8.619 0.179) 9.565 1.359 ( 13.472 11.270 -1.760) 17.652 1.598 ( 6.193 -12.844 1.101) 14.301 1.827 ( 12.486 7.148 4.266) 15.007 1.876 ( 14.469 9.153 -9.825) 19.740 1.983 ( 3.220 -6.888 1.775) 7.808 2.063 ( 8.400 -8.122 -7.046) 13.644 2.160 ( 6.754 10.372 4.048) 13.022 2.286 ( 3.722 5.857 2.266) 7.300 2.340 ( 1.690 0.606 1.825) 2.560 2.343 ( 6.193 -7.874 2.165) 10.249 2.486 ( -5.276 -0.979 4.257) 6.850 2.524 ( -2.156 3.449 -2.032) 4.547 2.530 ( -11.114 0.334 7.626) 13.483 2.606 ( -7.362 1.153 -0.452) 7.465 2.657 ( -3.500 -3.374 -0.093) 4.862 2.666 ( -7.898 -4.010 -0.207) 8.860 2.815 ( 7.594 2.192 0.243) 7.908 2.871 ( 6.299 -2.155 2.505) 7.114 2.992 ( -1.683 1.708 1.071) 2.626 3.035 ( 2.569 -0.811 -1.043) 2.889 3.082 ( -3.063 -0.266 -3.644) 4.768 3.119 ( -2.051 -4.151 -0.882) 4.713 3.244 ( 4.005 3.846 5.212) 7.616 3.315 ( 5.300 -1.741 -1.404) 5.753 3.386 ( 5.344 3.187 -1.024) 6.306 3.422 ( 2.820 0.768 -6.660) 7.273 3.453 ( 7.408 3.926 1.957) 8.609 3.486 ( -2.004 2.135 -0.448) 2.962 3.518 ( 1.304 5.664 -4.346) 7.257 3.596 ( 0.160 -3.265 1.296) 3.517 3.632 ( 3.846 3.100 -1.203) 5.084 3.655 ( 1.979 0.518 0.587) 2.128 3.718 ( 2.278 4.723 -1.533) 5.463 3.798 ( 1.589 -2.058 -3.773) 4.582 3.826 ( 11.464 6.719 -2.148) 13.460 3.886 ( 8.737 7.281 3.963) 12.043 3.983 ( -2.251 1.300 -1.074) 2.813 4.056 ( -1.845 -1.778 0.299) 2.580 4.130 ( 6.097 -2.791 -4.060) 7.839 4.157 ( -3.614 8.576 1.484) 9.424 4.198 ( -0.745 0.776 -3.622) 3.778 4.240 ( 7.844 1.061 4.406) 9.059 4.294 ( 2.731 -2.939 -5.010) 6.418 4.360 ( -2.748 1.649 -5.675) 6.517 4.390 ( 2.905 -8.665 6.159) 11.021 4.455 ( -1.015 -3.678 -1.140) 3.982 4.488 ( 3.246 -1.499 2.248) 4.223 4.603 ( 4.984 -11.594 -5.604) 13.808 4.671 ( 5.681 -1.836 7.262) 9.402 4.745 ( 3.460 -6.018 -0.073) 6.942 4.852 ( -4.109 1.440 4.286) 6.110 4.941 ( -1.683 -5.380 1.285) 5.781 5.123 ( -3.323 3.098 1.936) 4.938 5.156 ( -4.898 1.066 2.980) 5.832 5.293 ( 1.816 3.513 -2.320) 4.585 5.341 ( -1.551 -0.338 1.422) 2.131 5.390 ( 1.408 2.010 -0.235) 2.466 5.451 ( 2.880 -3.715 1.283) 4.872 5.508 ( -3.011 6.349 -1.544) 7.195 5.640 ( -2.812 -6.124 -1.443) 6.892 5.692 ( -4.397 2.323 -1.061) 5.084 5.791 ( -6.396 -6.698 0.453) 9.273 5.952 ( -6.380 4.089 -1.149) 7.664 5.981 ( -6.542 1.340 1.441) 6.832 6.016 ( -7.865 -0.090 -1.891) 8.090 6.029 ( -4.494 -0.157 2.786) 5.290 6.231 ( -6.285 3.636 1.903) 7.507 6.313 ( -7.343 -4.305 0.325) 8.518 6.413 ( -4.227 2.457 -0.157) 4.892 6.444 ( -1.571 -0.985 -1.673) 2.498 6.550 ( 3.970 0.560 -1.058) 4.147 6.578 ( 4.100 -2.372 -0.358) 4.750 6.678 ( -2.268 1.122 0.926) 2.694 6.718 ( -2.944 -2.680 1.197) 4.157 6.922 ( 1.248 3.934 0.475) 4.154 6.978 ( -0.213 -2.004 1.380) 2.442 7.180 ( -7.790 3.855 0.288) 8.697 7.206 ( -8.235 1.839 -0.552) 8.455 7.287 ( 2.242 4.283 1.914) 5.199 7.355 ( 0.120 -3.093 0.438) 3.126 7.595 ( -1.681 2.937 -1.346) 3.642 7.648 ( -0.520 -1.913 -0.401) 2.022 7.811 ( 3.967 -0.534 2.990) 4.996 7.846 ( 6.437 -3.322 0.954) 7.306 7.992 ( 0.617 2.910 -0.115) 2.977 8.036 ( -0.810 -1.448 0.878) 1.878 8.221 ( 5.525 1.938 0.458) 5.873 8.233 ( 7.382 0.513 -1.175) 7.493 8.352 ( -0.499 2.594 -0.400) 2.672 8.388 ( -2.048 -0.862 -0.342) 2.248 8.686 ( -0.060 2.161 0.679) 2.266 8.742 ( -1.002 -3.637 1.222) 3.965 8.935 ( 2.694 1.124 1.031) 3.095 8.955 ( 2.595 -0.597 2.528) 3.672 9.072 ( 6.922 1.418 -0.404) 7.077 9.085 ( 8.649 -1.347 -0.819) 8.792 9.151 ( -0.318 4.847 1.092) 4.979 9.223 ( -0.707 -2.030 3.301) 3.939 9.345 ( -5.079 5.931 -0.123) 7.809 9.422 ( -4.839 -0.728 -2.125) 5.335 9.544 ( -1.791 3.052 -9.162) 9.821 9.611 ( -4.193 -3.009 -8.748) 10.157 9.705 ( -0.443 2.158 5.156) 5.606 9.769 ( -0.066 -4.551 5.414) 7.073 9.851 ( -0.125 2.329 7.802) 8.144 9.900 ( -0.726 0.220 6.814) 6.856 9.942 ( 3.333 1.364 -0.320) 3.616 10.016 ( 1.914 -1.709 -3.606) 4.425 10.039 ( -0.806 0.627 -3.637) 3.778 10.149 ( 0.119 -6.729 -2.488) 7.176 10.255 ( 2.841 3.928 0.155) 4.851 10.281 ( 3.810 0.941 0.233) 3.932 10.374 ( 1.285 -0.361 -2.674) 2.989 10.399 ( 3.528 -2.937 -1.569) 4.851 10.476 ( 5.794 1.385 -0.371) 5.969 10.539 ( 7.826 -5.424 2.788) 9.921 10.563 ( -3.201 1.322 4.330) 5.545 10.622 ( -2.416 -3.234 0.661) 4.091 10.832 ( -1.057 -0.337 -1.640) 1.980 10.852 ( -3.438 -1.863 -2.091) 4.434 11.045 ( -0.127 1.691 1.474) 2.247 11.082 ( 0.302 -1.698 2.101) 2.719 11.197 ( -0.745 1.586 -3.118) 3.577 11.208 ( 1.355 0.775 -3.020) 3.400 11.387 ( -5.663 1.182 0.624) 5.818 11.399 ( -2.314 -0.050 -1.989) 3.051 11.645 ( 0.728 4.459 2.152) 5.004 11.708 ( -0.808 -0.723 -0.027) 1.085 11.813 ( 1.758 -1.036 0.848) 2.209 11.848 ( -0.978 -3.065 1.563) 3.577 12.055 ( 3.533 7.011 2.420) 8.215 12.177 ( 1.824 5.465 -4.529) 7.328 12.216 ( 2.905 -9.135 5.720) 11.163 12.297 ( 4.941 -7.280 -6.412) 10.887 12.706 ( -3.265 9.564 2.951) 10.528 12.873 ( 0.286 -6.272 -1.650) 6.492 13.321 ( -4.385 1.419 -0.092) 4.610 13.419 ( -1.876 -7.491 -3.984) 8.690 13.782 ( 0.612 3.140 -1.425) 3.503 13.875 ( -0.553 -6.693 -0.013) 6.716 14.166 ( 0.863 2.812 3.293) 4.415 14.228 ( -0.051 -3.947 3.024) 4.972 14.541 ( -2.622 3.427 -2.402) 4.938 14.563 ( -2.085 1.070 -4.902) 5.434 14.940 ( 0.775 0.501 1.998) 2.201 14.952 ( 1.204 -0.593 0.313) 1.379 15.099 ( -0.225 2.377 1.883) 3.041 15.124 ( -0.629 0.075 1.365) 1.505 15.401 ( 0.921 2.138 0.568) 2.396 15.443 ( 1.394 -2.001 -2.206) 3.288 17.338 ( 2.641 9.056 0.237) 9.436 17.457 ( 3.020 -0.777 -0.563) 3.169 17.495 ( 2.588 5.318 0.728) 5.959 17.606 ( 2.629 -2.398 -1.219) 3.762 18.127 ( 4.308 7.050 -0.530) 8.279 18.184 ( 2.379 4.433 3.892) 6.361 18.444 ( -4.633 -5.445 -0.553) 7.171 18.543 ( -5.139 -11.401 1.067) 12.552 18.896 ( 6.934 2.880 -0.358) 7.516 18.950 ( 2.270 -2.115 -1.400) 3.404 19.118 ( 6.339 0.488 2.903) 6.989 19.201 ( 1.772 -6.418 4.453) 8.010 19.549 ( -0.350 4.718 -4.298) 6.392 19.614 ( -0.730 -2.013 -5.698) 6.087 19.802 ( 1.019 0.877 -0.206) 1.360 19.836 ( 2.075 -2.550 0.349) 3.306 20.329 ( -6.544 4.612 -2.125) 8.283 20.403 ( -5.241 -2.567 -4.830) 7.575 20.669 ( -1.554 2.325 1.595) 3.219 20.738 ( -1.787 -4.399 0.433) 4.768 21.002 ( -4.632 4.294 5.392) 8.305 21.066 ( -5.535 -2.390 5.330) 8.047 21.236 ( -9.017 2.961 -1.369) 9.589 21.296 ( -7.899 -3.252 -5.797) 10.323 22.482 ( 2.106 1.044 0.072) 2.352 22.505 ( 1.625 -1.364 0.076) 2.123 22.554 ( 2.458 0.098 0.159) 2.465 22.558 ( 2.022 -0.303 -0.116) 2.048 ======================= Grid point 87 (51/54) ======================= q-point: ( 0.43 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( 1.896 2.295 3.739) 4.779 1.183 ( 0.191 -4.026 -0.115) 4.032 1.604 ( 9.673 4.309 1.899) 10.758 1.698 ( 0.777 -5.398 2.704) 6.087 1.975 ( 10.857 3.040 -6.106) 12.822 2.004 ( 4.985 0.240 -2.528) 5.595 2.073 ( 2.939 5.281 -0.380) 6.055 2.167 ( -6.072 -2.719 0.368) 6.663 2.267 ( -1.094 1.325 0.865) 1.924 2.320 ( -6.245 -1.837 2.033) 6.819 2.367 ( 9.473 3.843 4.868) 11.323 2.405 ( -1.159 3.054 2.277) 3.982 2.462 ( -0.829 -2.284 1.143) 2.685 2.492 ( 4.105 -4.085 5.898) 8.266 2.511 ( 1.920 0.250 5.191) 5.540 2.556 ( 0.886 -3.000 3.852) 4.962 2.605 ( 1.003 -1.539 1.743) 2.532 2.647 ( 4.542 -4.445 -2.931) 6.999 2.859 ( -4.138 2.805 -3.077) 5.870 2.901 ( -2.856 -1.235 -4.224) 5.247 2.977 ( 0.772 4.760 3.879) 6.189 3.042 ( 0.668 1.053 1.642) 2.062 3.069 ( -0.221 -2.371 0.054) 2.381 3.120 ( 2.676 -4.958 0.045) 5.635 3.253 ( -4.156 5.122 -1.455) 6.755 3.334 ( -1.024 -2.629 -5.609) 6.279 3.407 ( 2.034 2.005 -0.954) 3.011 3.448 ( -0.373 2.430 -1.707) 2.993 3.467 ( 2.737 -1.342 -3.068) 4.325 3.494 ( -4.492 1.272 -1.179) 4.815 3.581 ( 0.198 3.525 1.261) 3.749 3.629 ( 5.062 -0.324 -1.336) 5.246 3.691 ( 0.008 3.189 0.646) 3.253 3.713 ( 2.052 4.527 1.726) 5.262 3.751 ( 8.162 2.687 0.542) 8.610 3.854 ( -3.928 1.555 -2.056) 4.698 3.865 ( 3.865 -3.588 -0.648) 5.314 3.910 ( -6.904 1.881 -0.564) 7.177 3.971 ( 2.216 2.533 -5.019) 6.043 4.020 ( -0.140 -2.631 -3.441) 4.334 4.058 ( -5.365 1.977 -5.226) 7.746 4.085 ( -5.967 1.902 -0.600) 6.291 4.241 ( 1.123 3.733 -1.999) 4.381 4.258 ( 2.279 0.740 -4.011) 4.672 4.346 ( 7.931 4.244 4.653) 10.128 4.433 ( 3.575 -2.764 -0.368) 4.534 4.472 ( 2.567 -1.866 -1.003) 3.328 4.509 ( 5.067 0.106 -0.136) 5.070 4.672 ( 2.795 -5.332 2.753) 6.620 4.678 ( 8.928 -4.739 8.538) 13.231 4.809 ( 1.842 2.970 5.561) 6.568 4.849 ( 4.202 2.712 3.273) 5.978 4.887 ( 7.717 -2.280 0.061) 8.047 4.930 ( 0.648 -2.142 -0.453) 2.283 5.031 ( -5.318 1.499 2.114) 5.916 5.050 ( -6.833 -1.142 -2.137) 7.250 5.236 ( -3.496 2.022 0.123) 4.040 5.255 ( -2.278 -1.081 -0.195) 2.529 5.422 ( -2.256 2.163 2.672) 4.112 5.465 ( -3.778 0.193 -2.887) 4.759 5.520 ( 2.642 1.619 1.041) 3.269 5.590 ( -1.123 -2.730 -0.645) 3.022 5.619 ( -2.493 2.227 -2.130) 3.964 5.707 ( -2.187 -5.367 -2.654) 6.374 5.849 ( -2.198 0.698 -0.099) 2.308 5.875 ( -3.897 -2.136 0.769) 4.510 5.931 ( -0.282 1.186 -0.118) 1.224 5.973 ( -2.465 -2.318 0.995) 3.527 6.155 ( -3.715 1.707 4.642) 6.186 6.208 ( -3.361 -3.727 1.172) 5.154 6.318 ( -4.143 1.823 -2.345) 5.098 6.358 ( -4.001 -2.237 -4.192) 6.212 6.623 ( 4.153 1.318 0.534) 4.390 6.653 ( 3.581 -1.738 0.835) 4.068 6.682 ( 0.481 0.867 1.289) 1.626 6.705 ( -0.020 -1.494 0.676) 1.640 6.935 ( 0.988 2.233 -0.480) 2.488 6.968 ( 0.570 -1.013 -0.831) 1.429 7.041 ( -7.031 1.780 -0.677) 7.284 7.060 ( -6.461 0.081 -2.118) 6.800 7.378 ( 3.965 2.683 5.574) 7.348 7.402 ( 2.626 0.497 4.254) 5.024 7.551 ( -1.930 2.716 -1.343) 3.593 7.603 ( -3.425 -2.482 -2.183) 4.760 7.893 ( 1.713 1.190 5.987) 6.340 7.945 ( 2.649 -3.528 3.019) 5.346 8.018 ( 1.372 1.292 -1.236) 2.254 8.042 ( 0.270 -1.348 -0.506) 1.465 8.265 ( -0.127 4.031 0.170) 4.036 8.306 ( 0.241 0.059 -4.051) 4.058 8.358 ( 3.279 0.419 -2.125) 3.930 8.365 ( 1.320 -0.436 -0.637) 1.530 8.718 ( 1.159 1.510 5.275) 5.608 8.756 ( -0.030 -2.018 5.191) 5.570 8.993 ( 1.403 2.470 1.272) 3.112 9.015 ( 1.311 -0.016 0.219) 1.329 9.116 ( -1.870 4.441 1.493) 5.045 9.146 ( 0.677 3.104 -1.024) 3.338 9.181 ( 3.052 -1.016 -1.757) 3.665 9.211 ( -2.519 -4.078 1.365) 4.984 9.307 ( 0.817 2.099 -0.082) 2.254 9.337 ( -1.305 -0.329 -2.564) 2.896 9.455 ( -1.938 -0.548 -7.644) 7.905 9.489 ( -2.336 -3.257 -8.567) 9.459 9.740 ( 0.404 2.369 5.648) 6.138 9.806 ( -0.177 -3.974 4.554) 6.047 9.867 ( 1.232 5.401 1.393) 5.713 9.924 ( -0.689 2.672 3.217) 4.238 9.973 ( -1.017 3.928 -0.871) 4.150 9.995 ( -0.529 -3.966 -3.503) 5.318 10.037 ( 0.345 -3.663 2.850) 4.654 10.113 ( -2.166 -6.879 -0.136) 7.214 10.312 ( 4.134 3.287 -1.966) 5.635 10.349 ( 4.276 -0.873 -2.565) 5.062 10.416 ( 2.471 3.917 1.303) 4.811 10.460 ( 0.892 -0.901 2.768) 3.044 10.519 ( -1.293 4.031 1.476) 4.483 10.575 ( -0.068 1.142 -3.163) 3.364 10.594 ( 1.236 -4.248 2.127) 4.909 10.653 ( 2.496 -6.529 -1.233) 7.097 10.808 ( 1.204 -0.254 -0.200) 1.247 10.825 ( 0.733 -2.401 0.175) 2.517 11.069 ( 2.371 2.868 -0.167) 3.725 11.096 ( -4.131 3.195 -0.569) 5.253 11.119 ( 0.433 -1.954 0.972) 2.225 11.164 ( -5.116 -2.943 -0.858) 5.965 11.329 ( -0.787 3.599 1.018) 3.822 11.378 ( 0.204 -1.455 -2.984) 3.326 11.667 ( 0.335 3.604 1.611) 3.962 11.700 ( -0.156 0.760 -0.240) 0.812 11.832 ( -0.572 -0.145 1.723) 1.821 11.853 ( 0.752 -2.449 -0.325) 2.583 12.111 ( 0.511 6.909 2.520) 7.372 12.180 ( 1.915 7.150 -4.748) 8.794 12.265 ( -2.581 -7.606 7.371) 10.902 12.359 ( 6.687 -9.708 -7.900) 14.190 12.706 ( 0.810 9.726 5.048) 10.988 12.861 ( 0.051 -3.563 -3.829) 5.231 13.242 ( -2.866 -3.294 0.398) 4.385 13.337 ( -2.988 -10.805 -5.240) 12.375 13.821 ( 3.143 1.561 -0.510) 3.546 13.868 ( -1.180 -3.442 -0.156) 3.642 14.198 ( 0.575 1.430 4.462) 4.721 14.232 ( -1.394 -2.383 3.911) 4.787 14.480 ( -2.090 3.108 -2.774) 4.661 14.500 ( -0.807 0.655 -5.377) 5.477 14.959 ( -0.269 0.954 1.951) 2.189 14.974 ( 0.800 -0.504 0.154) 0.958 15.104 ( -0.419 2.050 1.408) 2.521 15.118 ( -0.704 0.845 0.789) 1.353 15.419 ( 0.366 1.809 0.647) 1.956 15.452 ( 0.913 -1.415 -2.147) 2.729 17.394 ( 1.871 10.924 2.362) 11.332 17.471 ( 0.080 8.635 -1.988) 8.861 17.557 ( 2.190 -1.754 1.958) 3.422 17.622 ( 0.506 -2.112 -1.801) 2.821 18.245 ( 5.377 -1.094 1.686) 5.740 18.255 ( 4.995 -0.002 2.650) 5.654 18.362 ( -3.443 -4.559 -1.506) 5.908 18.428 ( -7.221 -9.283 0.055) 11.761 19.001 ( 2.246 2.629 2.083) 4.037 19.019 ( 4.806 0.628 -0.674) 4.894 19.236 ( 3.687 -2.201 3.023) 5.252 19.260 ( 2.512 -4.693 4.131) 6.738 19.498 ( -1.071 3.654 -6.496) 7.530 19.546 ( -1.379 -1.701 -7.954) 8.250 19.817 ( 0.574 1.623 0.321) 1.751 19.861 ( 0.294 -2.786 -1.459) 3.159 20.223 ( -3.930 5.444 0.694) 6.751 20.282 ( -4.206 -0.405 -3.410) 5.430 20.670 ( -0.177 2.437 2.514) 3.505 20.715 ( -1.129 -1.766 0.022) 2.096 20.972 ( -1.631 1.281 4.523) 4.976 21.001 ( -4.447 -1.933 6.759) 8.318 21.094 ( -3.664 2.581 -3.579) 5.735 21.148 ( -2.897 -3.118 -5.994) 7.352 22.522 ( 1.610 0.478 0.790) 1.856 22.534 ( 1.063 -0.827 0.664) 1.502 22.577 ( 0.294 0.148 -0.597) 0.682 22.581 ( 0.513 -0.269 -0.601) 0.834 ======================= Grid point 88 (52/54) ======================= q-point: (-0.43 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( 2.077 0.132 1.104) 2.356 1.200 ( 2.138 -2.889 -3.664) 5.132 1.615 ( -8.880 5.828 0.845) 10.655 1.725 ( -2.887 -5.557 1.111) 6.359 1.889 ( -7.132 4.797 1.806) 8.783 1.928 ( -11.854 2.206 4.254) 12.786 2.102 ( -2.205 -0.772 -2.569) 3.472 2.151 ( -3.788 -4.640 0.388) 6.002 2.307 ( 6.045 2.535 -2.440) 6.995 2.355 ( 8.975 -2.087 -1.004) 9.269 2.406 ( 4.063 3.130 0.597) 5.163 2.449 ( 3.151 -0.812 -1.948) 3.793 2.508 ( -3.454 1.977 1.274) 4.179 2.538 ( 0.355 -0.267 -0.596) 0.744 2.574 ( -1.495 -0.075 -1.155) 1.891 2.592 ( 2.580 -0.522 -0.803) 2.752 2.657 ( 2.846 -1.282 -3.996) 5.071 2.703 ( -1.272 -4.594 -7.665) 9.026 2.806 ( 1.703 0.035 2.442) 2.977 2.825 ( 1.980 -1.775 2.020) 3.340 3.012 ( -0.074 2.304 3.148) 3.902 3.050 ( -1.938 -1.457 0.247) 2.437 3.067 ( -0.699 5.447 -0.448) 5.510 3.136 ( 1.160 1.232 -0.336) 1.725 3.195 ( -3.529 -2.317 6.016) 7.349 3.240 ( -4.496 -4.871 -2.694) 7.155 3.389 ( -5.828 4.636 6.039) 9.588 3.404 ( -2.748 3.004 1.514) 4.344 3.446 ( -1.145 -1.765 -2.390) 3.184 3.477 ( -0.035 -1.769 -0.368) 1.807 3.575 ( -1.488 2.849 3.490) 4.745 3.595 ( -3.087 0.733 0.563) 3.223 3.688 ( -4.910 5.322 -1.034) 7.314 3.703 ( -10.269 4.546 2.631) 11.534 3.751 ( 0.725 6.649 4.688) 8.168 3.826 ( -3.894 -1.203 -3.998) 5.709 3.857 ( -5.378 -0.065 0.915) 5.455 3.874 ( 3.904 -0.875 2.962) 4.978 3.966 ( 4.237 1.566 -4.352) 6.273 3.978 ( 2.413 -0.873 -0.096) 2.568 4.013 ( 0.682 1.049 -1.968) 2.332 4.122 ( 8.135 -5.081 -2.345) 9.874 4.242 ( 0.164 2.871 -0.434) 2.908 4.253 ( -1.990 1.366 -3.750) 4.460 4.371 ( -11.652 -1.730 2.420) 12.025 4.398 ( -6.399 -4.578 -0.553) 7.887 4.503 ( 3.783 2.824 -0.354) 4.734 4.524 ( -0.338 1.906 -1.050) 2.203 4.700 ( -9.364 1.612 -0.687) 9.526 4.764 ( -5.783 -3.295 -0.594) 6.682 4.842 ( 0.539 1.280 2.373) 2.750 4.883 ( 2.550 -1.660 4.619) 5.531 4.906 ( 2.098 -0.058 -3.129) 3.767 4.928 ( 2.473 -0.616 -4.743) 5.384 5.057 ( 9.098 2.484 -2.553) 9.770 5.149 ( 10.098 -4.613 -6.568) 12.899 5.238 ( -0.584 4.154 -1.512) 4.459 5.267 ( 3.545 2.173 1.061) 4.291 5.377 ( -3.556 0.310 3.225) 4.811 5.394 ( -0.895 -0.595 3.140) 3.319 5.525 ( 1.304 0.541 5.833) 6.001 5.540 ( -3.005 -2.879 3.347) 5.341 5.652 ( 3.010 0.695 -3.731) 4.844 5.676 ( 1.631 -2.401 -3.455) 4.512 5.844 ( 0.792 1.548 0.624) 1.847 5.876 ( 3.313 -1.481 0.523) 3.667 5.950 ( 1.656 0.535 -2.137) 2.756 5.997 ( 6.085 -3.784 -1.765) 7.379 6.168 ( 1.282 2.030 4.932) 5.485 6.211 ( 1.817 -2.769 1.097) 3.489 6.283 ( 2.046 0.415 1.321) 2.470 6.314 ( 2.704 -2.681 -1.499) 4.092 6.645 ( -2.899 1.824 -1.234) 3.640 6.682 ( -1.808 -1.830 -1.789) 3.134 6.715 ( 3.165 0.572 -2.123) 3.854 6.721 ( 3.830 0.150 -0.732) 3.902 6.927 ( -4.034 0.693 -0.036) 4.093 6.944 ( -4.413 -0.561 0.368) 4.464 7.002 ( 5.125 1.967 3.377) 6.445 7.026 ( 4.491 -0.512 1.863) 4.888 7.435 ( -2.774 2.941 0.875) 4.136 7.465 ( 1.086 0.924 1.793) 2.291 7.511 ( -3.443 1.189 -0.964) 3.768 7.546 ( 2.139 -1.188 2.569) 3.548 7.926 ( -3.188 1.083 4.359) 5.508 7.961 ( -2.604 -2.301 0.538) 3.516 8.005 ( -1.488 0.764 -0.239) 1.690 8.044 ( 1.455 -2.938 -0.818) 3.379 8.251 ( -1.559 3.815 1.206) 4.294 8.283 ( -0.336 0.559 -1.918) 2.026 8.369 ( -0.156 0.935 -3.010) 3.155 8.392 ( 1.515 -0.953 -3.183) 3.652 8.775 ( -0.446 0.930 1.829) 2.100 8.782 ( 1.152 0.098 2.714) 2.950 8.997 ( -0.713 2.326 0.874) 2.585 9.007 ( -0.312 1.844 -1.451) 2.367 9.094 ( -2.574 2.363 3.876) 5.219 9.141 ( -2.534 -2.644 1.089) 3.820 9.154 ( -2.568 0.867 0.241) 2.721 9.203 ( 0.707 -2.842 1.045) 3.110 9.330 ( 0.505 1.269 -1.204) 1.821 9.332 ( 0.255 -0.310 0.038) 0.403 9.398 ( 0.684 0.704 -3.114) 3.265 9.438 ( 2.419 -2.486 -5.558) 6.552 9.769 ( -0.900 3.035 5.024) 5.938 9.824 ( -0.296 -2.190 4.012) 4.580 9.891 ( 0.836 3.180 -4.159) 5.302 9.932 ( 0.417 2.866 -1.207) 3.138 9.961 ( 0.073 0.180 -2.175) 2.184 9.992 ( 4.192 1.257 0.046) 4.377 10.067 ( -0.584 -6.424 3.469) 7.324 10.092 ( 0.572 -6.926 1.472) 7.104 10.336 ( -1.146 3.364 -1.597) 3.897 10.352 ( -2.761 1.374 -3.886) 4.961 10.438 ( -2.018 1.740 0.093) 2.666 10.468 ( -1.527 4.777 3.262) 5.982 10.478 ( -1.883 -1.959 -1.248) 2.990 10.577 ( 2.783 4.185 -1.937) 5.386 10.595 ( -2.252 -7.510 1.164) 7.926 10.673 ( 2.135 -5.714 -2.163) 6.472 10.820 ( -0.815 0.224 -0.644) 1.062 10.847 ( 0.637 -2.358 -1.363) 2.797 11.023 ( -2.421 2.945 2.509) 4.564 11.074 ( -3.281 -2.272 2.063) 4.492 11.132 ( 4.749 3.224 -1.312) 5.888 11.190 ( 5.085 -2.739 -1.471) 5.961 11.326 ( -0.834 2.928 2.179) 3.744 11.358 ( -0.312 -0.472 -2.227) 2.298 11.678 ( -0.241 2.599 1.477) 2.999 11.694 ( -0.174 1.354 -0.800) 1.582 11.825 ( -1.445 0.722 2.069) 2.625 11.863 ( 0.810 -2.880 -0.839) 3.107 12.110 ( -1.522 3.504 1.906) 4.269 12.179 ( -0.250 5.113 -2.075) 5.523 12.232 ( -3.973 -0.869 3.576) 5.415 12.419 ( 4.643 -11.304 -8.589) 14.937 12.784 ( 3.207 5.951 4.324) 8.025 12.822 ( 0.112 3.174 -7.152) 7.825 13.247 ( 1.257 -7.599 3.351) 8.400 13.282 ( 1.266 -9.816 -3.088) 10.367 13.813 ( -4.145 1.344 0.175) 4.361 13.855 ( -0.125 -3.000 1.048) 3.180 14.242 ( 1.035 0.837 1.322) 1.875 14.263 ( 3.358 -1.084 1.964) 4.039 14.431 ( -1.904 3.278 0.183) 3.796 14.466 ( -0.203 -0.539 -2.311) 2.382 14.952 ( -1.938 1.607 2.423) 3.494 14.978 ( -0.502 -1.129 -0.008) 1.235 15.105 ( -0.485 1.804 1.508) 2.400 15.113 ( -0.292 1.070 1.108) 1.567 15.419 ( -0.962 1.627 0.933) 2.108 15.447 ( -0.029 -1.238 -1.992) 2.346 17.404 ( -2.633 11.071 1.748) 11.513 17.465 ( 0.734 7.811 -1.628) 8.013 17.577 ( -1.563 -1.777 0.972) 2.558 17.610 ( -0.162 -2.278 -1.616) 2.798 18.255 ( -7.405 -0.781 0.747) 7.483 18.310 ( -1.136 0.909 -2.543) 2.930 18.324 ( 1.497 -6.705 2.160) 7.201 18.421 ( 8.161 -8.018 0.533) 11.453 19.001 ( -3.768 3.101 1.031) 4.988 19.040 ( -2.315 -0.731 -1.453) 2.830 19.288 ( 0.929 -0.576 -0.080) 1.096 19.334 ( 3.112 -4.574 -1.612) 5.763 19.453 ( 0.104 2.388 -2.145) 3.212 19.487 ( 1.216 -1.814 -6.443) 6.803 19.829 ( -0.499 -0.244 1.096) 1.229 19.833 ( -1.228 -0.446 -0.651) 1.459 20.194 ( -1.324 4.798 4.655) 6.815 20.229 ( -0.283 0.860 1.382) 1.652 20.685 ( 0.075 1.353 1.615) 2.109 20.703 ( 0.459 -0.597 0.198) 0.779 20.999 ( 1.878 1.573 4.862) 5.444 21.032 ( 3.009 -2.024 5.282) 6.407 21.062 ( 2.708 3.724 -4.037) 6.124 21.138 ( 5.815 -4.228 -6.030) 9.384 22.535 ( -1.377 0.188 -0.292) 1.421 22.541 ( -0.381 -0.468 0.139) 0.620 22.567 ( -1.113 0.169 0.256) 1.154 22.573 ( -0.646 -0.380 0.048) 0.751 ======================= Grid point 89 (53/54) ======================= q-point: (-0.29 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( 1.403 0.140 -8.272) 8.391 1.219 ( -0.141 -2.505 0.114) 2.512 1.363 ( -12.404 14.576 -0.547) 19.148 1.594 ( -5.269 -8.976 1.701) 10.546 1.723 ( -13.074 10.170 4.682) 17.213 1.918 ( -9.173 -10.185 4.976) 14.582 1.965 ( -3.386 1.466 -7.806) 8.634 2.026 ( -2.714 -3.582 -1.622) 4.778 2.277 ( -9.803 4.517 -5.919) 12.310 2.333 ( -3.928 0.358 -1.105) 4.096 2.369 ( -9.422 3.153 -4.126) 10.758 2.415 ( -2.661 -0.898 -2.939) 4.065 2.508 ( 0.062 2.160 -0.427) 2.203 2.515 ( -1.256 0.147 -0.166) 1.275 2.598 ( 7.089 2.347 -0.275) 7.472 2.672 ( 10.945 -1.961 -5.288) 12.312 2.688 ( 6.649 0.013 -4.631) 8.102 2.749 ( 5.142 -3.739 -4.817) 7.976 2.804 ( -7.623 1.650 -0.397) 7.810 2.837 ( -4.335 -0.643 3.813) 5.809 2.999 ( 0.945 0.566 1.231) 1.652 3.025 ( 0.683 2.883 3.048) 4.251 3.068 ( -2.599 -1.167 -0.809) 2.962 3.119 ( -0.523 -0.583 3.390) 3.479 3.140 ( -4.234 0.868 1.676) 4.636 3.239 ( -2.226 -3.764 9.495) 10.454 3.334 ( -0.567 4.545 4.824) 6.652 3.377 ( -4.165 3.572 -0.131) 5.489 3.429 ( 1.278 0.268 4.686) 4.864 3.450 ( -3.668 1.680 0.252) 4.043 3.489 ( -8.737 7.917 0.756) 11.815 3.583 ( -0.908 2.356 2.478) 3.537 3.617 ( -0.254 0.850 5.689) 5.758 3.651 ( -6.862 -2.886 -1.216) 7.542 3.677 ( 0.583 -0.666 -1.178) 1.474 3.737 ( -3.499 -1.502 -1.282) 4.018 3.779 ( -4.949 1.465 0.274) 5.168 3.880 ( -7.341 -8.921 6.208) 13.115 4.014 ( 0.822 5.756 -1.244) 5.946 4.029 ( -0.522 4.179 -0.118) 4.213 4.075 ( 1.132 4.305 3.005) 5.371 4.135 ( -1.431 -0.387 0.088) 1.485 4.174 ( 0.144 -3.478 3.549) 4.971 4.241 ( -6.621 -5.983 4.689) 10.081 4.262 ( 4.056 4.191 -5.220) 7.828 4.345 ( 3.052 -1.303 -2.792) 4.337 4.438 ( -5.964 1.495 -0.259) 6.154 4.499 ( -4.748 2.721 -3.290) 6.385 4.529 ( -2.258 -2.036 -0.693) 3.118 4.592 ( -8.995 -10.509 -4.139) 14.439 4.788 ( -4.197 1.119 -6.833) 8.097 4.864 ( -1.458 -4.498 -8.629) 9.840 4.963 ( 5.893 -1.824 -6.164) 8.720 4.978 ( 3.560 -0.933 -2.066) 4.221 5.179 ( 1.311 1.311 -2.912) 3.452 5.231 ( 1.189 7.813 0.163) 7.904 5.232 ( -1.391 -1.964 2.727) 3.637 5.323 ( 4.780 3.698 0.807) 6.097 5.352 ( 1.989 -1.588 -0.847) 2.682 5.436 ( -0.990 -8.291 3.584) 9.087 5.552 ( 2.477 3.742 -2.394) 5.087 5.606 ( 1.544 -1.620 3.791) 4.402 5.665 ( 3.947 2.485 -0.077) 4.665 5.755 ( 6.415 -6.195 1.530) 9.048 5.939 ( 7.771 2.831 1.131) 8.347 5.960 ( 4.849 1.582 2.403) 5.639 6.020 ( 7.331 3.435 -3.031) 8.644 6.082 ( 3.659 -1.666 -2.771) 4.883 6.236 ( 3.809 2.450 2.254) 5.059 6.303 ( 7.328 -4.874 1.750) 8.973 6.384 ( 5.480 1.271 2.274) 6.068 6.411 ( 5.549 -1.445 1.511) 5.929 6.571 ( -3.430 1.769 -3.131) 4.970 6.616 ( -2.781 -2.658 -3.561) 5.242 6.720 ( 0.795 1.831 -4.520) 4.941 6.755 ( 1.319 -1.424 -2.941) 3.523 6.900 ( -0.400 2.716 2.715) 3.860 6.945 ( 2.535 -1.741 4.749) 5.658 7.137 ( 4.880 1.708 4.522) 6.869 7.144 ( 6.064 1.567 6.031) 8.695 7.356 ( -4.109 2.539 -3.179) 5.783 7.379 ( -4.497 0.010 -2.419) 5.106 7.542 ( 1.149 3.373 3.475) 4.977 7.608 ( 1.681 -2.444 3.503) 4.590 7.827 ( -8.020 0.428 1.340) 8.142 7.870 ( -6.219 -3.363 -1.436) 7.214 7.998 ( 0.614 3.500 -0.273) 3.564 8.058 ( 0.040 -2.054 -0.908) 2.246 8.207 ( -5.171 2.783 1.167) 5.987 8.247 ( -2.455 -1.780 -2.113) 3.696 8.356 ( 1.990 2.878 -1.109) 3.671 8.403 ( 2.865 -1.557 -2.328) 4.007 8.735 ( -2.663 1.920 -3.153) 4.552 8.777 ( -2.209 -2.404 -1.826) 3.741 8.952 ( -3.941 2.499 -0.395) 4.683 8.988 ( -1.594 1.095 -0.909) 2.136 9.052 ( -6.112 -1.554 1.290) 6.437 9.057 ( -6.128 -2.133 1.790) 6.731 9.151 ( 1.049 5.654 1.651) 5.983 9.255 ( 0.684 -4.843 1.469) 5.107 9.342 ( 2.264 2.884 1.444) 3.940 9.361 ( 5.600 1.948 4.124) 7.222 9.428 ( 1.906 2.490 1.304) 3.396 9.486 ( 3.438 -2.654 0.751) 4.407 9.799 ( 2.049 2.200 1.441) 3.334 9.846 ( 0.055 -2.729 2.886) 3.972 9.858 ( -1.861 4.615 -3.283) 5.962 9.917 ( 0.755 -1.323 -2.862) 3.242 9.966 ( -1.262 2.190 1.041) 2.733 10.032 ( -2.224 -2.946 -1.970) 4.184 10.073 ( 1.399 -2.841 -1.478) 3.495 10.107 ( -1.549 -4.280 0.812) 4.624 10.252 ( -2.144 3.437 -3.683) 5.475 10.297 ( -0.349 0.463 -3.142) 3.195 10.357 ( -7.290 0.890 1.958) 7.600 10.385 ( -3.768 -2.258 -1.176) 4.547 10.477 ( -0.273 2.838 0.307) 2.868 10.564 ( -2.121 -5.771 1.004) 6.230 10.623 ( 1.604 0.079 -3.048) 3.445 10.671 ( 0.299 -4.881 -3.628) 6.089 10.825 ( 1.239 -0.098 -0.786) 1.470 10.844 ( 2.695 -1.555 -0.759) 3.203 11.018 ( -0.618 3.162 3.503) 4.760 11.061 ( -0.798 -0.971 3.209) 3.446 11.189 ( 1.029 0.868 -1.366) 1.917 11.219 ( -1.304 -1.899 -4.175) 4.769 11.354 ( 3.056 3.921 2.423) 5.530 11.383 ( 4.717 0.233 0.813) 4.792 11.674 ( -0.784 1.225 -0.112) 1.459 11.690 ( 0.155 1.954 0.726) 2.090 11.800 ( -2.848 0.233 2.228) 3.624 11.874 ( 1.130 -4.859 -1.002) 5.088 12.088 ( -1.924 0.941 0.195) 2.151 12.135 ( -4.583 -1.311 3.433) 5.874 12.186 ( -1.256 8.188 -2.475) 8.646 12.400 ( -0.154 -11.522 -10.167) 15.367 12.797 ( 2.386 5.433 -6.653) 8.915 12.851 ( 1.718 0.518 1.004) 2.056 13.303 ( 3.127 -2.792 2.529) 4.896 13.345 ( 3.403 -6.363 2.685) 7.699 13.757 ( -0.953 3.252 0.710) 3.462 13.849 ( -0.805 -6.357 2.497) 6.877 14.235 ( -1.842 3.904 -3.527) 5.574 14.305 ( 0.463 -3.879 -4.157) 5.704 14.449 ( 2.180 3.498 5.712) 7.044 14.484 ( 2.291 -0.869 3.651) 4.397 14.925 ( -2.669 1.781 3.276) 4.586 14.958 ( -1.478 -1.542 0.066) 2.137 15.105 ( -0.430 1.822 1.386) 2.329 15.122 ( 0.083 0.302 1.581) 1.612 15.399 ( -1.700 1.550 1.357) 2.671 15.429 ( -0.448 -1.450 -1.603) 2.207 17.346 ( -3.272 9.247 -0.570) 9.825 17.450 ( -2.207 1.943 0.066) 2.941 17.520 ( -3.386 0.714 -1.639) 3.829 17.592 ( -2.003 -2.136 0.246) 2.938 18.121 ( -6.135 7.081 0.282) 9.373 18.267 ( -0.552 -0.920 -4.668) 4.790 18.412 ( 5.108 -2.576 2.839) 6.387 18.550 ( 5.208 -10.737 0.253) 11.936 18.891 ( -7.255 2.644 -0.154) 7.724 18.940 ( -6.246 -2.523 -0.398) 6.748 19.240 ( -2.350 3.926 -9.807) 10.822 19.334 ( 0.365 -4.373 -7.751) 8.907 19.479 ( 2.257 2.492 2.279) 4.062 19.530 ( 3.447 -3.634 1.198) 5.150 19.801 ( -1.250 1.118 0.084) 1.679 19.830 ( -1.010 -1.921 1.220) 2.490 20.244 ( 3.489 4.571 7.197) 9.212 20.294 ( 4.091 -0.992 6.361) 7.628 20.692 ( 0.762 1.076 -0.704) 1.494 20.731 ( 1.458 -2.625 0.871) 3.126 21.082 ( 3.970 3.735 0.153) 5.453 21.114 ( 4.669 1.670 -1.596) 5.209 21.178 ( 7.960 1.568 5.636) 9.878 21.261 ( 10.378 -5.163 -4.271) 12.353 22.488 ( -2.764 0.933 -0.563) 2.971 22.510 ( -2.243 -1.430 -0.500) 2.707 22.547 ( -1.721 0.355 0.768) 1.918 22.555 ( -1.590 -0.481 0.314) 1.691 ======================= Grid point 90 (54/54) ======================= q-point: (-0.14 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( -10.045 9.705 3.678) 14.443 1.145 ( 0.723 -2.218 -8.633) 8.943 1.342 ( -5.051 11.831 5.617) 14.037 1.479 ( -8.805 1.134 -1.600) 9.021 1.548 ( -9.157 -3.742 -5.631) 11.382 1.617 ( -5.625 -15.658 -6.235) 17.768 1.960 ( -0.596 -1.409 0.583) 1.637 1.977 ( -1.204 -2.460 -0.639) 2.813 2.102 ( -4.212 9.538 -3.517) 11.004 2.243 ( -2.576 11.650 -4.197) 12.648 2.265 ( -2.166 -5.326 0.660) 5.787 2.325 ( -3.730 1.935 -2.218) 4.752 2.517 ( -1.697 3.832 5.452) 6.877 2.548 ( 3.312 -0.251 1.958) 3.855 2.570 ( -6.306 4.923 2.658) 8.430 2.668 ( -4.572 -0.282 -1.245) 4.746 2.712 ( 2.408 4.320 0.646) 4.988 2.804 ( 7.528 4.173 -3.899) 9.450 2.836 ( 2.526 -3.584 2.649) 5.122 2.894 ( 6.541 -1.495 -1.794) 6.945 3.004 ( -2.242 3.836 5.894) 7.381 3.011 ( -2.768 2.905 -2.274) 4.613 3.076 ( 0.240 0.364 -1.486) 1.549 3.102 ( 0.433 -2.037 -1.171) 2.389 3.162 ( 1.421 -2.854 3.368) 4.638 3.209 ( -4.944 -3.149 0.535) 5.887 3.245 ( -9.986 2.826 1.017) 10.428 3.305 ( -2.755 3.712 1.018) 4.733 3.338 ( -3.995 0.252 2.390) 4.662 3.433 ( -0.354 2.052 0.526) 2.148 3.485 ( -1.160 -0.382 5.076) 5.221 3.540 ( -2.187 -7.031 2.074) 7.650 3.593 ( 0.786 1.101 2.711) 3.030 3.654 ( -2.146 2.576 -1.715) 3.766 3.674 ( -2.580 -0.196 3.377) 4.255 3.694 ( 1.383 4.297 -1.514) 4.762 3.740 ( -3.575 -12.159 2.830) 12.986 3.765 ( -0.715 -0.810 1.778) 2.080 3.944 ( -4.862 6.978 3.896) 9.355 3.956 ( -4.213 1.851 -5.946) 7.518 4.058 ( -3.841 3.389 -0.806) 5.185 4.106 ( -1.831 0.655 -3.094) 3.654 4.200 ( -4.763 6.400 1.756) 8.169 4.231 ( 1.084 3.427 2.160) 4.194 4.297 ( -2.446 -5.897 5.216) 8.244 4.362 ( 5.201 1.771 -4.288) 6.969 4.413 ( -0.585 -6.235 -2.019) 6.580 4.451 ( 1.675 -5.544 3.292) 6.662 4.497 ( 3.045 -3.325 0.645) 4.554 4.519 ( 1.853 -10.197 -0.254) 10.367 4.663 ( -3.541 0.755 -7.411) 8.248 4.772 ( -2.431 -7.726 -6.868) 10.619 5.014 ( 4.445 -0.837 -6.119) 7.609 5.023 ( 3.029 -0.540 -4.243) 5.241 5.129 ( -3.249 4.071 -0.100) 5.210 5.165 ( -4.754 0.968 0.737) 4.908 5.281 ( 2.848 0.459 -3.448) 4.496 5.359 ( -2.791 -0.726 0.529) 2.932 5.376 ( 0.606 -2.487 0.160) 2.564 5.410 ( -1.497 -4.382 -2.650) 5.335 5.583 ( 3.378 2.889 -0.035) 4.445 5.661 ( 2.703 -4.526 1.911) 5.607 5.801 ( 7.516 4.495 2.382) 9.076 5.894 ( 5.115 -5.274 1.607) 7.521 6.033 ( 3.155 5.358 0.735) 6.261 6.089 ( 2.873 0.195 -1.268) 3.146 6.099 ( 3.948 3.230 1.013) 5.200 6.140 ( 3.701 -0.021 -0.129) 3.703 6.338 ( 5.325 6.533 1.206) 8.515 6.440 ( 2.575 0.176 -1.653) 3.065 6.452 ( 1.305 0.542 -2.070) 2.506 6.498 ( 4.821 -0.796 0.776) 4.948 6.508 ( 1.203 -1.201 -1.376) 2.187 6.542 ( -1.565 -4.505 -5.142) 7.013 6.714 ( -1.219 0.889 -0.564) 1.611 6.743 ( -2.263 -1.723 1.135) 3.062 6.946 ( 4.355 4.982 -0.223) 6.621 7.022 ( 2.685 -2.897 -1.010) 4.077 7.224 ( -1.621 4.143 5.158) 6.811 7.283 ( 1.440 -1.070 10.080) 10.238 7.299 ( 1.771 3.474 3.450) 5.206 7.335 ( 1.901 -0.081 2.133) 2.859 7.568 ( -0.258 4.181 2.442) 4.849 7.645 ( 0.083 -0.774 0.774) 1.098 7.692 ( -5.911 -0.112 0.023) 5.912 7.756 ( -2.323 -4.423 -4.403) 6.659 7.981 ( -4.693 3.175 1.355) 5.826 8.017 ( -5.463 -0.482 2.734) 6.128 8.130 ( 0.903 3.831 -1.836) 4.343 8.215 ( 2.956 -4.396 -5.445) 7.596 8.401 ( 1.945 4.149 -2.138) 5.057 8.459 ( 2.824 -2.034 -2.752) 4.437 8.655 ( -3.472 1.377 -0.384) 3.754 8.708 ( -3.618 -3.150 0.049) 4.798 8.841 ( -9.294 2.760 1.261) 9.777 8.877 ( -9.632 -0.337 0.174) 9.639 8.985 ( 0.359 -0.816 -1.850) 2.054 8.995 ( 1.970 -2.654 -2.604) 4.208 9.155 ( -0.951 4.970 0.775) 5.119 9.230 ( -2.285 -2.784 -0.343) 3.618 9.448 ( 5.007 4.973 5.556) 8.981 9.478 ( 3.204 3.087 1.844) 4.816 9.548 ( 7.965 0.486 4.981) 9.407 9.562 ( 2.517 -1.617 4.647) 5.526 9.742 ( -6.037 6.121 -3.746) 9.378 9.856 ( -1.482 -3.319 -2.215) 4.257 9.868 ( 2.532 1.899 2.753) 4.195 9.888 ( -6.067 -0.816 -0.350) 6.132 9.918 ( -1.235 -1.038 3.903) 4.223 9.986 ( -1.380 -6.133 1.022) 6.369 10.022 ( -1.211 0.665 -6.048) 6.204 10.070 ( -0.020 -4.063 -5.131) 6.545 10.214 ( -3.148 7.495 2.315) 8.453 10.271 ( -3.263 1.045 -0.013) 3.426 10.301 ( 1.556 -0.971 -0.876) 2.033 10.341 ( -1.194 -5.574 1.842) 5.991 10.455 ( -0.544 0.439 -7.508) 7.541 10.489 ( -2.145 -3.340 -4.827) 6.250 10.627 ( 0.070 -2.116 0.458) 2.166 10.667 ( 0.933 -5.842 -1.806) 6.186 10.863 ( 3.512 4.287 -0.532) 5.567 10.920 ( 4.144 -1.661 0.780) 4.532 11.027 ( -2.851 3.382 4.026) 5.981 11.063 ( -1.443 0.624 5.041) 5.280 11.140 ( -3.253 -0.836 -3.337) 4.734 11.173 ( 1.051 -3.221 -5.083) 6.109 11.443 ( 4.367 6.298 1.590) 7.827 11.505 ( 6.158 0.077 2.217) 6.546 11.649 ( -1.377 3.173 -1.496) 3.769 11.713 ( 1.222 -1.989 1.764) 2.926 11.757 ( -2.781 1.433 3.263) 4.520 11.895 ( 1.620 -8.356 0.003) 8.512 12.013 ( -5.349 2.867 -3.043) 6.789 12.069 ( -4.515 -3.557 2.114) 6.124 12.163 ( 0.305 6.544 -1.568) 6.736 12.310 ( -1.578 -8.750 -9.868) 13.283 12.813 ( 2.852 4.669 -4.200) 6.898 12.865 ( -0.187 -0.435 -0.706) 0.850 13.354 ( -0.363 2.350 4.498) 5.088 13.410 ( 2.397 -3.156 0.018) 3.964 13.805 ( 4.738 2.174 1.615) 5.457 13.882 ( 2.218 -5.638 3.443) 6.968 14.153 ( -3.870 3.496 -2.666) 5.857 14.243 ( -2.915 -6.177 -5.289) 8.638 14.539 ( 2.623 3.848 5.338) 7.084 14.569 ( 3.200 0.145 3.607) 4.824 14.904 ( -1.947 1.179 3.711) 4.353 14.933 ( -1.035 -1.504 0.157) 1.832 15.106 ( -0.419 1.653 1.475) 2.255 15.127 ( -0.653 -0.369 1.229) 1.440 15.381 ( -1.272 1.353 1.916) 2.668 15.416 ( 0.181 -2.052 -1.353) 2.465 17.305 ( -0.121 6.928 -0.381) 6.940 17.403 ( -1.828 -1.595 -0.150) 2.430 17.449 ( -3.320 2.673 -1.080) 4.397 17.527 ( -4.782 -2.978 -0.263) 5.640 18.054 ( -1.848 14.348 2.060) 14.612 18.225 ( -0.325 2.189 -6.397) 6.769 18.528 ( 5.212 -2.622 0.980) 5.916 18.606 ( 0.613 -6.809 -0.487) 6.854 18.781 ( -4.003 2.335 1.851) 4.990 18.870 ( -2.099 -8.636 5.911) 10.673 19.099 ( -4.691 8.779 -12.072) 15.646 19.264 ( -1.417 -7.589 -10.640) 13.146 19.534 ( 1.819 2.598 2.030) 3.766 19.578 ( 0.256 -2.367 1.735) 2.946 19.786 ( -0.023 1.008 -0.072) 1.011 19.820 ( -0.276 -2.477 -0.459) 2.534 20.405 ( 7.560 0.439 6.769) 10.157 20.426 ( 4.676 -1.547 6.192) 7.912 20.707 ( 1.321 1.245 -0.429) 1.865 20.758 ( 0.726 -3.912 0.823) 4.063 21.130 ( 2.138 4.691 -2.658) 5.800 21.161 ( 1.088 1.292 -1.831) 2.491 21.363 ( 6.623 1.582 5.715) 8.890 21.430 ( 8.891 -4.656 -2.342) 10.306 22.444 ( -1.491 1.220 0.339) 1.956 22.471 ( -1.669 -1.670 0.340) 2.385 22.511 ( -2.094 0.508 -0.292) 2.174 22.521 ( -1.860 -0.596 -0.308) 1.977 =================== 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 3/31500 10.0 57.434 55.154 43.127 0.000 -2.919 0.000 3/31500 20.0 10.292 11.030 7.489 0.000 -0.400 0.000 3/31500 30.0 5.134 5.250 3.602 0.000 -0.171 0.000 3/31500 40.0 3.464 3.391 2.380 0.000 -0.097 0.000 3/31500 50.0 2.655 2.522 1.805 0.000 -0.063 0.000 3/31500 60.0 2.172 2.021 1.470 0.000 -0.045 0.000 3/31500 70.0 1.846 1.694 1.249 0.000 -0.034 0.000 3/31500 80.0 1.610 1.463 1.090 0.000 -0.027 0.000 3/31500 90.0 1.430 1.290 0.970 0.000 -0.022 0.000 3/31500 100.0 1.287 1.156 0.876 0.000 -0.019 0.000 3/31500 110.0 1.171 1.049 0.800 0.000 -0.017 0.000 3/31500 120.0 1.075 0.961 0.737 0.000 -0.015 0.000 3/31500 130.0 0.993 0.888 0.684 0.000 -0.014 0.000 3/31500 140.0 0.924 0.825 0.639 0.000 -0.013 0.000 3/31500 150.0 0.864 0.772 0.600 0.000 -0.012 0.000 3/31500 160.0 0.811 0.726 0.565 0.000 -0.012 0.000 3/31500 170.0 0.765 0.685 0.535 0.000 -0.011 0.000 3/31500 180.0 0.724 0.649 0.508 0.000 -0.011 0.000 3/31500 190.0 0.687 0.617 0.484 0.000 -0.010 0.000 3/31500 200.0 0.654 0.588 0.462 0.000 -0.010 0.000 3/31500 210.0 0.624 0.562 0.443 0.000 -0.010 0.000 3/31500 220.0 0.596 0.538 0.424 0.000 -0.009 0.000 3/31500 230.0 0.571 0.516 0.408 0.000 -0.009 0.000 3/31500 240.0 0.549 0.496 0.393 0.000 -0.009 0.000 3/31500 250.0 0.527 0.478 0.378 0.000 -0.009 0.000 3/31500 260.0 0.508 0.460 0.365 0.000 -0.008 0.000 3/31500 270.0 0.490 0.445 0.353 0.000 -0.008 0.000 3/31500 280.0 0.473 0.430 0.342 0.000 -0.008 0.000 3/31500 290.0 0.457 0.416 0.331 0.000 -0.008 0.000 3/31500 300.0 0.443 0.403 0.321 0.000 -0.008 0.000 3/31500 310.0 0.429 0.391 0.311 0.000 -0.007 0.000 3/31500 320.0 0.416 0.379 0.303 0.000 -0.007 0.000 3/31500 330.0 0.404 0.369 0.294 0.000 -0.007 0.000 3/31500 340.0 0.393 0.358 0.286 0.000 -0.007 0.000 3/31500 350.0 0.382 0.349 0.279 0.000 -0.007 0.000 3/31500 360.0 0.372 0.340 0.272 0.000 -0.007 0.000 3/31500 370.0 0.362 0.331 0.265 0.000 -0.006 0.000 3/31500 380.0 0.353 0.323 0.258 0.000 -0.006 0.000 3/31500 390.0 0.344 0.315 0.252 0.000 -0.006 0.000 3/31500 400.0 0.336 0.307 0.246 0.000 -0.006 0.000 3/31500 410.0 0.328 0.300 0.241 0.000 -0.006 0.000 3/31500 420.0 0.320 0.293 0.235 0.000 -0.006 0.000 3/31500 430.0 0.313 0.287 0.230 0.000 -0.006 0.000 3/31500 440.0 0.306 0.281 0.225 0.000 -0.006 0.000 3/31500 450.0 0.299 0.275 0.221 0.000 -0.005 0.000 3/31500 460.0 0.293 0.269 0.216 0.000 -0.005 0.000 3/31500 470.0 0.287 0.264 0.212 0.000 -0.005 0.000 3/31500 480.0 0.281 0.258 0.208 0.000 -0.005 0.000 3/31500 490.0 0.276 0.253 0.204 0.000 -0.005 0.000 3/31500 500.0 0.270 0.248 0.200 0.000 -0.005 0.000 3/31500 510.0 0.265 0.244 0.196 0.000 -0.005 0.000 3/31500 520.0 0.260 0.239 0.192 0.000 -0.005 0.000 3/31500 530.0 0.255 0.235 0.189 0.000 -0.005 0.000 3/31500 540.0 0.251 0.231 0.186 0.000 -0.005 0.000 3/31500 550.0 0.246 0.227 0.182 0.000 -0.005 0.000 3/31500 560.0 0.242 0.223 0.179 0.000 -0.004 0.000 3/31500 570.0 0.238 0.219 0.176 0.000 -0.004 0.000 3/31500 580.0 0.234 0.215 0.173 0.000 -0.004 0.000 3/31500 590.0 0.230 0.212 0.171 0.000 -0.004 0.000 3/31500 600.0 0.226 0.208 0.168 0.000 -0.004 0.000 3/31500 610.0 0.223 0.205 0.165 0.000 -0.004 0.000 3/31500 620.0 0.219 0.202 0.163 0.000 -0.004 0.000 3/31500 630.0 0.216 0.199 0.160 0.000 -0.004 0.000 3/31500 640.0 0.212 0.196 0.158 0.000 -0.004 0.000 3/31500 650.0 0.209 0.193 0.155 0.000 -0.004 0.000 3/31500 660.0 0.206 0.190 0.153 0.000 -0.004 0.000 3/31500 670.0 0.203 0.187 0.151 0.000 -0.004 0.000 3/31500 680.0 0.200 0.184 0.149 0.000 -0.004 0.000 3/31500 690.0 0.197 0.182 0.147 0.000 -0.004 0.000 3/31500 700.0 0.194 0.179 0.145 0.000 -0.004 0.000 3/31500 710.0 0.192 0.177 0.143 0.000 -0.004 0.000 3/31500 720.0 0.189 0.174 0.141 0.000 -0.004 0.000 3/31500 730.0 0.187 0.172 0.139 0.000 -0.003 0.000 3/31500 740.0 0.184 0.170 0.137 0.000 -0.003 0.000 3/31500 750.0 0.182 0.168 0.135 0.000 -0.003 0.000 3/31500 760.0 0.179 0.165 0.134 0.000 -0.003 0.000 3/31500 770.0 0.177 0.163 0.132 0.000 -0.003 0.000 3/31500 780.0 0.175 0.161 0.130 0.000 -0.003 0.000 3/31500 790.0 0.173 0.159 0.129 0.000 -0.003 0.000 3/31500 800.0 0.170 0.157 0.127 0.000 -0.003 0.000 3/31500 810.0 0.168 0.155 0.126 0.000 -0.003 0.000 3/31500 820.0 0.166 0.154 0.124 0.000 -0.003 0.000 3/31500 830.0 0.164 0.152 0.123 0.000 -0.003 0.000 3/31500 840.0 0.162 0.150 0.121 0.000 -0.003 0.000 3/31500 850.0 0.161 0.148 0.120 0.000 -0.003 0.000 3/31500 860.0 0.159 0.146 0.118 0.000 -0.003 0.000 3/31500 870.0 0.157 0.145 0.117 0.000 -0.003 0.000 3/31500 880.0 0.155 0.143 0.116 0.000 -0.003 0.000 3/31500 890.0 0.153 0.142 0.114 0.000 -0.003 0.000 3/31500 900.0 0.152 0.140 0.113 0.000 -0.003 0.000 3/31500 910.0 0.150 0.139 0.112 0.000 -0.003 0.000 3/31500 920.0 0.148 0.137 0.111 0.000 -0.003 0.000 3/31500 930.0 0.147 0.136 0.110 0.000 -0.003 0.000 3/31500 940.0 0.145 0.134 0.109 0.000 -0.003 0.000 3/31500 950.0 0.144 0.133 0.107 0.000 -0.003 0.000 3/31500 960.0 0.142 0.131 0.106 0.000 -0.003 0.000 3/31500 970.0 0.141 0.130 0.105 0.000 -0.003 0.000 3/31500 980.0 0.139 0.129 0.104 0.000 -0.003 0.000 3/31500 990.0 0.138 0.128 0.103 0.000 -0.003 0.000 3/31500 1000.0 0.137 0.126 0.102 0.000 -0.003 0.000 3/31500 Thermal conductivity related properties were written into "kappa-m755.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 16:02:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|