----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:29:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [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 8.840648900275468 0.000000000000000 0.000000000000000 b 0.000000000000000 7.381571090000001 0.000000000000000 c -0.288753583848481 0.000000000000000 11.100044699829295 Atomic positions (fractional): *1 O 0.58833583739267 0.51974801905719 0.36374783197440 15.999 2 O 0.41166416260733 0.01974801905719 0.13625216802560 15.999 3 O 0.41166416260733 0.48025198094281 0.63625216802560 15.999 4 O 0.58833583739267 0.98025198094281 0.86374783197440 15.999 *5 O 0.30395993310163 0.24496744289702 0.45433337556675 15.999 6 O 0.69604006689837 0.74496744289702 0.04566662443325 15.999 7 O 0.69604006689837 0.75503255710298 0.54566662443325 15.999 8 O 0.30395993310163 0.25503255710298 0.95433337556675 15.999 *9 O 0.24680544784429 0.32037948312201 0.19036593364407 15.999 10 O 0.75319455215571 0.82037948312201 0.30963406635593 15.999 11 O 0.75319455215571 0.67962051687799 0.80963406635593 15.999 12 O 0.24680544784429 0.17962051687799 0.69036593364407 15.999 *13 O 0.88303082045732 0.54776237257659 0.44576234443158 15.999 14 O 0.11696917954268 0.04776237257659 0.05423765556842 15.999 15 O 0.11696917954268 0.45223762742341 0.55423765556842 15.999 16 O 0.88303082045732 0.95223762742341 0.94576234443158 15.999 *17 O 0.88004781584365 0.33493268452457 0.97095277409474 15.999 18 O 0.11995218415635 0.83493268452457 0.52904722590526 15.999 19 O 0.11995218415635 0.66506731547543 0.02904722590527 15.999 20 O 0.88004781584365 0.16506731547543 0.47095277409474 15.999 *21 O 0.62694993731894 0.14944629072455 0.60229632201553 15.999 22 O 0.37305006268106 0.64944629072455 0.89770367798447 15.999 23 O 0.37305006268106 0.85055370927545 0.39770367798447 15.999 24 O 0.62694993731894 0.35055370927545 0.10229632201553 15.999 *25 O 0.86624653433203 0.34000868940813 0.69603460419665 15.999 26 O 0.13375346566797 0.84000868940813 0.80396539580335 15.999 27 O 0.13375346566797 0.65999131059187 0.30396539580335 15.999 28 O 0.86624653433203 0.15999131059187 0.19603460419665 15.999 *29 O 0.89817388553507 0.99666269131196 0.68897208878874 15.999 30 O 0.10182611446493 0.49666269131196 0.81102791121126 15.999 31 O 0.10182611446493 0.00333730868804 0.31102791121126 15.999 32 O 0.89817388553507 0.50333730868804 0.18897208878874 15.999 *33 K 0.56680156608571 0.14429111158839 0.34198538544724 39.098 34 K 0.56680156608571 0.35570888841161 0.84198538544724 39.098 35 K 0.43319843391428 0.85570888841161 0.65801461455276 39.098 36 K 0.43319843391428 0.64429111158839 0.15801461455276 39.098 *37 Se 0.18877942776474 0.83723694851879 0.39185689226896 78.960 *38 Se 0.28004241171755 0.15902019665668 0.08889803270286 78.960 39 Se 0.18877942776474 0.66276305148121 0.89185689226896 78.960 40 Se 0.81122057223526 0.16276305148121 0.60814310773104 78.960 41 Se 0.71995758828245 0.84097980334332 0.91110196729714 78.960 42 Se 0.28004241171755 0.34097980334332 0.58889803270286 78.960 43 Se 0.71995758828245 0.65902019665668 0.41110196729714 78.960 44 Se 0.81122057223526 0.33723694851879 0.10814310773104 78.960 *45 Pr 0.05668247373322 0.33465517135134 0.34764489736086 140.908 46 Pr 0.94331752626678 0.83465517135134 0.15235510263914 140.908 47 Pr 0.94331752626678 0.66534482864866 0.65235510263914 140.908 48 Pr 0.05668247373322 0.16534482864866 0.84764489736086 140.908 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.840648900275468 0.000000000000000 0.000000000000000 b 0.000000000000000 7.381571090000001 0.000000000000000 c -0.288753583848481 0.000000000000000 11.100044699829295 Atomic positions (fractional): *1 O 0.58833583739267 0.51974801905719 0.36374783197440 15.999 > 1 2 O 0.41166416260733 0.01974801905719 0.13625216802560 15.999 > 2 3 O 0.41166416260733 0.48025198094281 0.63625216802560 15.999 > 3 4 O 0.58833583739267 0.98025198094281 0.86374783197440 15.999 > 4 *5 O 0.30395993310163 0.24496744289702 0.45433337556675 15.999 > 5 6 O 0.69604006689837 0.74496744289702 0.04566662443325 15.999 > 6 7 O 0.69604006689837 0.75503255710298 0.54566662443325 15.999 > 7 8 O 0.30395993310163 0.25503255710298 0.95433337556675 15.999 > 8 *9 O 0.24680544784429 0.32037948312201 0.19036593364407 15.999 > 9 10 O 0.75319455215571 0.82037948312201 0.30963406635593 15.999 > 10 11 O 0.75319455215571 0.67962051687799 0.80963406635593 15.999 > 11 12 O 0.24680544784429 0.17962051687799 0.69036593364407 15.999 > 12 *13 O 0.88303082045732 0.54776237257659 0.44576234443158 15.999 > 13 14 O 0.11696917954268 0.04776237257659 0.05423765556842 15.999 > 14 15 O 0.11696917954268 0.45223762742341 0.55423765556842 15.999 > 15 16 O 0.88303082045732 0.95223762742341 0.94576234443158 15.999 > 16 *17 O 0.88004781584365 0.33493268452457 0.97095277409474 15.999 > 17 18 O 0.11995218415635 0.83493268452457 0.52904722590526 15.999 > 18 19 O 0.11995218415635 0.66506731547543 0.02904722590527 15.999 > 19 20 O 0.88004781584365 0.16506731547543 0.47095277409474 15.999 > 20 *21 O 0.62694993731894 0.14944629072455 0.60229632201553 15.999 > 21 22 O 0.37305006268106 0.64944629072455 0.89770367798447 15.999 > 22 23 O 0.37305006268106 0.85055370927545 0.39770367798447 15.999 > 23 24 O 0.62694993731894 0.35055370927545 0.10229632201553 15.999 > 24 *25 O 0.86624653433203 0.34000868940813 0.69603460419665 15.999 > 25 26 O 0.13375346566797 0.84000868940813 0.80396539580335 15.999 > 26 27 O 0.13375346566797 0.65999131059187 0.30396539580335 15.999 > 27 28 O 0.86624653433203 0.15999131059187 0.19603460419665 15.999 > 28 *29 O 0.89817388553507 0.99666269131196 0.68897208878874 15.999 > 29 30 O 0.10182611446493 0.49666269131196 0.81102791121126 15.999 > 30 31 O 0.10182611446493 0.00333730868804 0.31102791121126 15.999 > 31 32 O 0.89817388553507 0.50333730868804 0.18897208878874 15.999 > 32 *33 K 0.56680156608571 0.14429111158839 0.34198538544724 39.098 > 33 34 K 0.56680156608571 0.35570888841161 0.84198538544724 39.098 > 34 35 K 0.43319843391428 0.85570888841161 0.65801461455276 39.098 > 35 36 K 0.43319843391428 0.64429111158839 0.15801461455276 39.098 > 36 *37 Se 0.18877942776474 0.83723694851879 0.39185689226896 78.960 > 37 *38 Se 0.28004241171755 0.15902019665668 0.08889803270286 78.960 > 38 39 Se 0.18877942776474 0.66276305148121 0.89185689226896 78.960 > 39 40 Se 0.81122057223526 0.16276305148121 0.60814310773104 78.960 > 40 41 Se 0.71995758828245 0.84097980334332 0.91110196729714 78.960 > 41 42 Se 0.28004241171755 0.34097980334332 0.58889803270286 78.960 > 42 43 Se 0.71995758828245 0.65902019665668 0.41110196729714 78.960 > 43 44 Se 0.81122057223526 0.33723694851879 0.10814310773104 78.960 > 44 *45 Pr 0.05668247373322 0.33465517135134 0.34764489736086 140.908 > 45 46 Pr 0.94331752626678 0.83465517135134 0.15235510263914 140.908 > 46 47 Pr 0.94331752626678 0.66534482864866 0.65235510263914 140.908 > 47 48 Pr 0.05668247373322 0.16534482864866 0.84764489736086 140.908 > 48 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.840648900275468 0.000000000000000 0.000000000000000 b 0.000000000000000 14.763142180000003 0.000000000000000 c -0.288753583848481 0.000000000000000 11.100044699829295 Atomic positions (fractional): *1 O 0.58833583739267 0.25987400952860 0.36374783197440 15.999 > 1 2 O 0.58833583739267 0.75987400952860 0.36374783197440 15.999 > 1 3 O 0.41166416260733 0.00987400952860 0.13625216802560 15.999 > 2 4 O 0.41166416260733 0.50987400952860 0.13625216802560 15.999 > 2 5 O 0.41166416260733 0.24012599047140 0.63625216802560 15.999 > 3 6 O 0.41166416260733 0.74012599047140 0.63625216802560 15.999 > 3 7 O 0.58833583739267 0.49012599047140 0.86374783197440 15.999 > 4 8 O 0.58833583739267 0.99012599047140 0.86374783197440 15.999 > 4 *9 O 0.30395993310163 0.12248372144851 0.45433337556675 15.999 > 5 10 O 0.30395993310163 0.62248372144851 0.45433337556675 15.999 > 5 11 O 0.69604006689837 0.37248372144851 0.04566662443325 15.999 > 6 12 O 0.69604006689837 0.87248372144851 0.04566662443325 15.999 > 6 13 O 0.69604006689837 0.37751627855149 0.54566662443325 15.999 > 7 14 O 0.69604006689837 0.87751627855149 0.54566662443325 15.999 > 7 15 O 0.30395993310163 0.12751627855149 0.95433337556675 15.999 > 8 16 O 0.30395993310163 0.62751627855149 0.95433337556675 15.999 > 8 *17 O 0.24680544784429 0.16018974156101 0.19036593364407 15.999 > 9 18 O 0.24680544784429 0.66018974156101 0.19036593364407 15.999 > 9 19 O 0.75319455215571 0.41018974156101 0.30963406635593 15.999 > 10 20 O 0.75319455215571 0.91018974156101 0.30963406635593 15.999 > 10 21 O 0.75319455215571 0.33981025843899 0.80963406635593 15.999 > 11 22 O 0.75319455215571 0.83981025843899 0.80963406635593 15.999 > 11 23 O 0.24680544784429 0.08981025843899 0.69036593364407 15.999 > 12 24 O 0.24680544784429 0.58981025843899 0.69036593364407 15.999 > 12 *25 O 0.88303082045732 0.27388118628829 0.44576234443158 15.999 > 13 26 O 0.88303082045732 0.77388118628829 0.44576234443158 15.999 > 13 27 O 0.11696917954268 0.02388118628829 0.05423765556842 15.999 > 14 28 O 0.11696917954268 0.52388118628829 0.05423765556842 15.999 > 14 29 O 0.11696917954268 0.22611881371171 0.55423765556842 15.999 > 15 30 O 0.11696917954268 0.72611881371171 0.55423765556842 15.999 > 15 31 O 0.88303082045732 0.47611881371171 0.94576234443158 15.999 > 16 32 O 0.88303082045732 0.97611881371171 0.94576234443158 15.999 > 16 *33 O 0.88004781584365 0.16746634226228 0.97095277409474 15.999 > 17 34 O 0.88004781584365 0.66746634226228 0.97095277409474 15.999 > 17 35 O 0.11995218415635 0.41746634226228 0.52904722590526 15.999 > 18 36 O 0.11995218415635 0.91746634226228 0.52904722590526 15.999 > 18 37 O 0.11995218415635 0.33253365773772 0.02904722590527 15.999 > 19 38 O 0.11995218415635 0.83253365773772 0.02904722590527 15.999 > 19 39 O 0.88004781584365 0.08253365773772 0.47095277409474 15.999 > 20 40 O 0.88004781584365 0.58253365773772 0.47095277409474 15.999 > 20 *41 O 0.62694993731894 0.07472314536228 0.60229632201553 15.999 > 21 42 O 0.62694993731894 0.57472314536227 0.60229632201553 15.999 > 21 43 O 0.37305006268106 0.32472314536227 0.89770367798447 15.999 > 22 44 O 0.37305006268106 0.82472314536227 0.89770367798447 15.999 > 22 45 O 0.37305006268106 0.42527685463773 0.39770367798447 15.999 > 23 46 O 0.37305006268106 0.92527685463773 0.39770367798447 15.999 > 23 47 O 0.62694993731894 0.17527685463772 0.10229632201553 15.999 > 24 48 O 0.62694993731894 0.67527685463773 0.10229632201553 15.999 > 24 *49 O 0.86624653433203 0.17000434470407 0.69603460419665 15.999 > 25 50 O 0.86624653433203 0.67000434470407 0.69603460419665 15.999 > 25 51 O 0.13375346566797 0.42000434470407 0.80396539580335 15.999 > 26 52 O 0.13375346566797 0.92000434470407 0.80396539580335 15.999 > 26 53 O 0.13375346566797 0.32999565529593 0.30396539580335 15.999 > 27 54 O 0.13375346566797 0.82999565529593 0.30396539580335 15.999 > 27 55 O 0.86624653433203 0.07999565529593 0.19603460419665 15.999 > 28 56 O 0.86624653433203 0.57999565529593 0.19603460419665 15.999 > 28 *57 O 0.89817388553507 0.49833134565598 0.68897208878874 15.999 > 29 58 O 0.89817388553507 0.99833134565598 0.68897208878874 15.999 > 29 59 O 0.10182611446493 0.24833134565598 0.81102791121126 15.999 > 30 60 O 0.10182611446493 0.74833134565598 0.81102791121126 15.999 > 30 61 O 0.10182611446493 0.00166865434402 0.31102791121126 15.999 > 31 62 O 0.10182611446493 0.50166865434402 0.31102791121126 15.999 > 31 63 O 0.89817388553507 0.25166865434402 0.18897208878874 15.999 > 32 64 O 0.89817388553507 0.75166865434402 0.18897208878874 15.999 > 32 *65 K 0.56680156608571 0.07214555579420 0.34198538544724 39.098 > 33 66 K 0.56680156608571 0.57214555579420 0.34198538544724 39.098 > 33 67 K 0.56680156608571 0.17785444420580 0.84198538544724 39.098 > 34 68 K 0.56680156608571 0.67785444420580 0.84198538544724 39.098 > 34 69 K 0.43319843391428 0.42785444420580 0.65801461455276 39.098 > 35 70 K 0.43319843391428 0.92785444420580 0.65801461455276 39.098 > 35 71 K 0.43319843391428 0.32214555579420 0.15801461455276 39.098 > 36 72 K 0.43319843391428 0.82214555579420 0.15801461455276 39.098 > 36 *73 Se 0.18877942776474 0.41861847425940 0.39185689226896 78.960 > 37 74 Se 0.18877942776474 0.91861847425940 0.39185689226896 78.960 > 37 *75 Se 0.28004241171755 0.07951009832834 0.08889803270286 78.960 > 38 76 Se 0.28004241171755 0.57951009832834 0.08889803270286 78.960 > 38 77 Se 0.18877942776474 0.33138152574060 0.89185689226896 78.960 > 39 78 Se 0.18877942776474 0.83138152574060 0.89185689226896 78.960 > 39 79 Se 0.81122057223526 0.08138152574060 0.60814310773104 78.960 > 40 80 Se 0.81122057223526 0.58138152574060 0.60814310773104 78.960 > 40 81 Se 0.71995758828245 0.42048990167166 0.91110196729714 78.960 > 41 82 Se 0.71995758828245 0.92048990167166 0.91110196729714 78.960 > 41 83 Se 0.28004241171755 0.17048990167166 0.58889803270286 78.960 > 42 84 Se 0.28004241171755 0.67048990167166 0.58889803270286 78.960 > 42 85 Se 0.71995758828245 0.32951009832834 0.41110196729714 78.960 > 43 86 Se 0.71995758828245 0.82951009832834 0.41110196729714 78.960 > 43 87 Se 0.81122057223526 0.16861847425940 0.10814310773104 78.960 > 44 88 Se 0.81122057223526 0.66861847425940 0.10814310773104 78.960 > 44 *89 Pr 0.05668247373322 0.16732758567567 0.34764489736086 140.908 > 45 90 Pr 0.05668247373322 0.66732758567567 0.34764489736086 140.908 > 45 91 Pr 0.94331752626678 0.41732758567567 0.15235510263914 140.908 > 46 92 Pr 0.94331752626678 0.91732758567567 0.15235510263914 140.908 > 46 93 Pr 0.94331752626678 0.33267241432433 0.65235510263914 140.908 > 47 94 Pr 0.94331752626678 0.83267241432433 0.65235510263914 140.908 > 47 95 Pr 0.05668247373322 0.08267241432433 0.84764489736086 140.908 > 48 96 Pr 0.05668247373322 0.58267241432433 0.84764489736086 140.908 > 48 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0207266 0.0000000 0.0834592 0.0000000 3.0706519 0.0000000 0.0834632 0.0000000 3.2980001 -------------------------- Born effective charges -------------------------- 1 O -1.4443358 -0.4094645 -0.3069677 -0.2604314 -1.2163232 -0.1466777 -0.2729684 -0.1192939 -1.0720736 2 O -1.4443358 0.4094645 -0.3069677 0.2604314 -1.2163232 0.1466777 -0.2729684 0.1192939 -1.0720736 3 O -1.4443358 -0.4094645 -0.3069677 -0.2604314 -1.2163232 -0.1466777 -0.2729684 -0.1192939 -1.0720736 4 O -1.4443358 0.4094645 -0.3069677 0.2604314 -1.2163232 0.1466777 -0.2729684 0.1192939 -1.0720736 5 O -1.3495002 0.1485114 -0.0595622 0.1161404 -1.0823015 -0.3447458 -0.3287847 -0.2579771 -1.9238133 6 O -1.3495002 -0.1485114 -0.0595622 -0.1161404 -1.0823015 0.3447458 -0.3287847 0.2579771 -1.9238133 7 O -1.3495002 0.1485114 -0.0595622 0.1161404 -1.0823015 -0.3447458 -0.3287847 -0.2579771 -1.9238133 8 O -1.3495002 -0.1485114 -0.0595622 -0.1161404 -1.0823015 0.3447458 -0.3287847 0.2579771 -1.9238133 9 O -1.2766015 0.1397968 0.4076522 0.2616829 -1.4510016 -0.6664136 0.6725837 -0.6959461 -2.1266397 10 O -1.2766015 -0.1397968 0.4076522 -0.2616829 -1.4510016 0.6664136 0.6725837 0.6959461 -2.1266397 11 O -1.2766015 0.1397968 0.4076522 0.2616829 -1.4510016 -0.6664136 0.6725837 -0.6959461 -2.1266397 12 O -1.2766015 -0.1397968 0.4076522 -0.2616829 -1.4510016 0.6664136 0.6725837 0.6959461 -2.1266397 13 O -1.8364985 0.5816755 -0.2657157 0.7591627 -1.5004626 -0.1481204 -0.2225432 -0.0758689 -1.6435271 14 O -1.8364985 -0.5816755 -0.2657157 -0.7591627 -1.5004626 0.1481204 -0.2225432 0.0758689 -1.6435271 15 O -1.8364985 0.5816755 -0.2657157 0.7591627 -1.5004626 -0.1481204 -0.2225432 -0.0758689 -1.6435271 16 O -1.8364985 -0.5816755 -0.2657157 -0.7591627 -1.5004626 0.1481204 -0.2225432 0.0758689 -1.6435271 17 O -1.2746523 0.2174807 0.5346684 0.2906169 -1.0681830 -0.3761199 0.7994930 -0.3389883 -2.2043847 18 O -1.2746523 -0.2174807 0.5346684 -0.2906169 -1.0681830 0.3761199 0.7994930 0.3389883 -2.2043847 19 O -1.2746523 0.2174807 0.5346684 0.2906169 -1.0681830 -0.3761199 0.7994930 -0.3389883 -2.2043847 20 O -1.2746523 -0.2174807 0.5346684 -0.2906169 -1.0681830 0.3761199 0.7994930 0.3389883 -2.2043847 21 O -1.7926293 -0.0891591 -0.0625447 -0.1777350 -0.9335586 0.0372476 -0.0950726 -0.0567593 -1.0150024 22 O -1.7926293 0.0891591 -0.0625447 0.1777350 -0.9335586 -0.0372476 -0.0950726 0.0567593 -1.0150024 23 O -1.7926293 -0.0891591 -0.0625447 -0.1777350 -0.9335586 0.0372476 -0.0950726 -0.0567593 -1.0150024 24 O -1.7926293 0.0891591 -0.0625447 0.1777350 -0.9335586 -0.0372476 -0.0950726 0.0567593 -1.0150024 25 O -1.1299243 -0.2536817 -0.2829906 -0.3695054 -2.3233192 -0.3446103 -0.4070511 -0.2285955 -1.5968089 26 O -1.1299243 0.2536817 -0.2829906 0.3695054 -2.3233192 0.3446103 -0.4070511 0.2285955 -1.5968089 27 O -1.1299243 -0.2536817 -0.2829906 -0.3695054 -2.3233192 -0.3446103 -0.4070511 -0.2285955 -1.5968089 28 O -1.1299243 0.2536817 -0.2829906 0.3695054 -2.3233192 0.3446103 -0.4070511 0.2285955 -1.5968089 29 O -1.1728331 0.2412369 -0.4035801 0.4019560 -2.3381575 0.3318018 -0.4809827 0.0977427 -1.6713692 30 O -1.1728331 -0.2412369 -0.4035801 -0.4019560 -2.3381575 -0.3318018 -0.4809827 -0.0977427 -1.6713692 31 O -1.1728331 0.2412369 -0.4035801 0.4019560 -2.3381575 0.3318018 -0.4809827 0.0977427 -1.6713692 32 O -1.1728331 -0.2412369 -0.4035801 -0.4019560 -2.3381575 -0.3318018 -0.4809827 -0.0977427 -1.6713692 33 K 1.4862763 0.2132896 0.0675377 -0.0140783 1.2428571 -0.0075383 0.0265478 0.0639714 1.2531631 34 K 1.4862763 -0.2132896 0.0675377 0.0140783 1.2428571 0.0075383 0.0265478 -0.0639714 1.2531631 35 K 1.4862763 0.2132896 0.0675377 -0.0140783 1.2428571 -0.0075383 0.0265478 0.0639714 1.2531631 36 K 1.4862763 -0.2132896 0.0675377 0.0140783 1.2428571 0.0075383 0.0265478 -0.0639714 1.2531631 37 Se 3.0808226 0.0433081 0.1587842 0.1892824 3.4650080 -0.2225054 0.1420211 0.1328092 3.6660780 38 Se 3.3285062 -0.0987930 0.2827733 0.1937366 3.0275730 0.1591274 0.2225425 0.3787191 3.6743521 39 Se 3.0808226 -0.0433081 0.1587842 -0.1892824 3.4650080 0.2225054 0.1420211 -0.1328092 3.6660780 40 Se 3.0808226 0.0433081 0.1587842 0.1892824 3.4650080 -0.2225054 0.1420211 0.1328092 3.6660780 41 Se 3.3285062 -0.0987930 0.2827733 0.1937366 3.0275730 0.1591274 0.2225425 0.3787191 3.6743521 42 Se 3.3285062 0.0987930 0.2827733 -0.1937366 3.0275730 -0.1591274 0.2225425 -0.3787191 3.6743521 43 Se 3.3285062 0.0987930 0.2827733 -0.1937366 3.0275730 -0.1591274 0.2225425 -0.3787191 3.6743521 44 Se 3.0808226 -0.0433081 0.1587842 -0.1892824 3.4650080 0.2225054 0.1420211 -0.1328092 3.6660780 45 Pr 3.3813701 -0.2239806 -0.0700549 -0.3724173 4.1778689 0.4060865 -0.0557855 -0.1694964 4.6600257 46 Pr 3.3813701 0.2239806 -0.0700549 0.3724173 4.1778689 -0.4060865 -0.0557855 0.1694964 4.6600257 47 Pr 3.3813701 -0.2239806 -0.0700549 -0.3724173 4.1778689 0.4060865 -0.0557855 -0.1694964 4.6600257 48 Pr 3.3813701 0.2239806 -0.0700549 0.3724173 4.1778689 -0.4060865 -0.0557855 0.1694964 4.6600257 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 288/288 Permutation basis: 20880/20880 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5292 Number of blocks in projector: 5292 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: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1152 / 1152 (1) 128 eigenvectors found. (1) Complementary block size: 66 (1) Compute compressed projector. (1) Use standard solver. (1) 42 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1152 / 1152 (1) 128 eigenvectors found. (1) Complementary block size: 66 (1) Compute compressed projector. (1) Use standard solver. (1) 42 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1152 / 1152 (1) 143 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 612 / 612 (1) 100 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 612 / 612 (1) 100 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 612 / 612 (1) 100 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. Tree of FC basis block matrices: - (5292, 5185), data: False |-- (612, 600), data: False |-- (612, 12), data: (612, 24) @ (24, 12) |-- (112, 100), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (612, 600), data: False |-- (612, 12), data: (612, 24) @ (24, 12) |-- (112, 100), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (612, 600), data: False |-- (612, 12), data: (612, 24) @ (24, 12) |-- (112, 100), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (1152, 1129), data: False |-- (1152, 28), data: (1152, 51) @ (51, 28) |-- (152, 143), data: True |-- (500, 481), data: False |-- (500, 15), data: (500, 34) @ (34, 15) |-- (250, 235), data: True |-- (250, 231), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (1152, 1128), data: False |-- (1152, 42), data: (1152, 66) @ (66, 42) |-- (152, 128), data: True |-- (500, 482), data: False |-- (500, 14), data: (500, 32) @ (32, 14) |-- (250, 236), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (1152, 1128), data: False |-- (1152, 42), data: (1152, 66) @ (66, 42) |-- (152, 128), data: True |-- (500, 482), data: False |-- (500, 14), data: (500, 32) @ (32, 14) |-- (250, 236), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 1440 - Time: 1.874 Solver_block: 200 / 1440 - Time: 1.637 Solver_block: 300 / 1440 - Time: 1.748 Solver_block: 400 / 1440 - Time: 1.737 Solver_block: 500 / 1440 - Time: 1.264 Solver_block: 600 / 1440 - Time: 1.569 Solver_block: 700 / 1440 - Time: 1.401 Solver_block: 800 / 1440 - Time: 1.320 Solver_block: 900 / 1440 - Time: 1.030 Solver_block: 1000 / 1440 - Time: 2.665 Solver_block: 1100 / 1440 - Time: 1.950 Solver_block: 1200 / 1440 - Time: 2.990 Solver_block: 1300 / 1440 - Time: 1.581 Solver_block: 1400 / 1440 - Time: 2.590 Solver_block: 1440 / 1440 - Time: 1.206 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 27.609 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 288/288 Permutation basis: 20880/20880 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5292 Number of blocks in projector: 5292 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: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1152 / 1152 (1) 128 eigenvectors found. (1) Complementary block size: 66 (1) Compute compressed projector. (1) Use standard solver. (1) 42 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1152 / 1152 (1) 128 eigenvectors found. (1) Complementary block size: 66 (1) Compute compressed projector. (1) Use standard solver. (1) 42 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1152 / 1152 (1) 143 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 612 / 612 (1) 100 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 612 / 612 (1) 100 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 612 / 612 (1) 100 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. Tree of FC basis block matrices: - (5292, 5185), data: False |-- (612, 600), data: False |-- (612, 12), data: (612, 24) @ (24, 12) |-- (112, 100), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (612, 600), data: False |-- (612, 12), data: (612, 24) @ (24, 12) |-- (112, 100), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (612, 600), data: False |-- (612, 12), data: (612, 24) @ (24, 12) |-- (112, 100), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (1152, 1129), data: False |-- (1152, 28), data: (1152, 51) @ (51, 28) |-- (152, 143), data: True |-- (500, 481), data: False |-- (500, 15), data: (500, 34) @ (34, 15) |-- (250, 235), data: True |-- (250, 231), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (1152, 1128), data: False |-- (1152, 42), data: (1152, 66) @ (66, 42) |-- (152, 128), data: True |-- (500, 482), data: False |-- (500, 14), data: (500, 32) @ (32, 14) |-- (250, 236), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (1152, 1128), data: False |-- (1152, 42), data: (1152, 66) @ (66, 42) |-- (152, 128), data: True |-- (500, 482), data: False |-- (500, 14), data: (500, 32) @ (32, 14) |-- (250, 236), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 00:30:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:30:53]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.840648900275468 0.000000000000000 0.000000000000000 b 0.000000000000000 7.381571090000001 0.000000000000000 c -0.288753583848481 0.000000000000000 11.100044699829295 Atomic positions (fractional): 1 O 0.58833583739267 0.51974801905719 0.36374783197440 15.999 2 O 0.41166416260733 0.01974801905719 0.13625216802560 15.999 3 O 0.41166416260733 0.48025198094281 0.63625216802560 15.999 4 O 0.58833583739267 0.98025198094281 0.86374783197440 15.999 5 O 0.30395993310163 0.24496744289702 0.45433337556675 15.999 6 O 0.69604006689837 0.74496744289702 0.04566662443325 15.999 7 O 0.69604006689837 0.75503255710298 0.54566662443325 15.999 8 O 0.30395993310163 0.25503255710298 0.95433337556675 15.999 9 O 0.24680544784429 0.32037948312201 0.19036593364407 15.999 10 O 0.75319455215571 0.82037948312201 0.30963406635593 15.999 11 O 0.75319455215571 0.67962051687799 0.80963406635593 15.999 12 O 0.24680544784429 0.17962051687799 0.69036593364407 15.999 13 O 0.88303082045732 0.54776237257659 0.44576234443158 15.999 14 O 0.11696917954268 0.04776237257659 0.05423765556842 15.999 15 O 0.11696917954268 0.45223762742341 0.55423765556842 15.999 16 O 0.88303082045732 0.95223762742341 0.94576234443158 15.999 17 O 0.88004781584365 0.33493268452457 0.97095277409474 15.999 18 O 0.11995218415635 0.83493268452457 0.52904722590526 15.999 19 O 0.11995218415635 0.66506731547543 0.02904722590527 15.999 20 O 0.88004781584365 0.16506731547543 0.47095277409474 15.999 21 O 0.62694993731894 0.14944629072455 0.60229632201553 15.999 22 O 0.37305006268106 0.64944629072455 0.89770367798447 15.999 23 O 0.37305006268106 0.85055370927545 0.39770367798447 15.999 24 O 0.62694993731894 0.35055370927545 0.10229632201553 15.999 25 O 0.86624653433203 0.34000868940813 0.69603460419665 15.999 26 O 0.13375346566797 0.84000868940813 0.80396539580335 15.999 27 O 0.13375346566797 0.65999131059187 0.30396539580335 15.999 28 O 0.86624653433203 0.15999131059187 0.19603460419665 15.999 29 O 0.89817388553507 0.99666269131196 0.68897208878874 15.999 30 O 0.10182611446493 0.49666269131196 0.81102791121126 15.999 31 O 0.10182611446493 0.00333730868804 0.31102791121126 15.999 32 O 0.89817388553507 0.50333730868804 0.18897208878874 15.999 33 K 0.56680156608571 0.14429111158839 0.34198538544724 39.098 34 K 0.56680156608571 0.35570888841161 0.84198538544724 39.098 35 K 0.43319843391428 0.85570888841161 0.65801461455276 39.098 36 K 0.43319843391428 0.64429111158839 0.15801461455276 39.098 37 Se 0.18877942776474 0.83723694851879 0.39185689226896 78.960 38 Se 0.28004241171755 0.15902019665668 0.08889803270286 78.960 39 Se 0.18877942776474 0.66276305148121 0.89185689226896 78.960 40 Se 0.81122057223526 0.16276305148121 0.60814310773104 78.960 41 Se 0.71995758828245 0.84097980334332 0.91110196729714 78.960 42 Se 0.28004241171755 0.34097980334332 0.58889803270286 78.960 43 Se 0.71995758828245 0.65902019665668 0.41110196729714 78.960 44 Se 0.81122057223526 0.33723694851879 0.10814310773104 78.960 45 Pr 0.05668247373322 0.33465517135134 0.34764489736086 140.908 46 Pr 0.94331752626678 0.83465517135134 0.15235510263914 140.908 47 Pr 0.94331752626678 0.66534482864866 0.65235510263914 140.908 48 Pr 0.05668247373322 0.16534482864866 0.84764489736086 140.908 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.840648900275468 0.000000000000000 0.000000000000000 b 0.000000000000000 14.763142180000003 0.000000000000000 c -0.288753583848481 0.000000000000000 11.100044699829295 Atomic positions (fractional): 1 O 0.58833583739267 0.25987400952860 0.36374783197440 15.999 > 1 2 O 0.58833583739267 0.75987400952860 0.36374783197440 15.999 > 1 3 O 0.41166416260733 0.00987400952860 0.13625216802560 15.999 > 3 4 O 0.41166416260733 0.50987400952860 0.13625216802560 15.999 > 3 5 O 0.41166416260733 0.24012599047140 0.63625216802560 15.999 > 5 6 O 0.41166416260733 0.74012599047140 0.63625216802560 15.999 > 5 7 O 0.58833583739267 0.49012599047140 0.86374783197440 15.999 > 7 8 O 0.58833583739267 0.99012599047140 0.86374783197440 15.999 > 7 9 O 0.30395993310163 0.12248372144851 0.45433337556675 15.999 > 9 10 O 0.30395993310163 0.62248372144851 0.45433337556675 15.999 > 9 11 O 0.69604006689837 0.37248372144851 0.04566662443325 15.999 > 11 12 O 0.69604006689837 0.87248372144851 0.04566662443325 15.999 > 11 13 O 0.69604006689837 0.37751627855149 0.54566662443325 15.999 > 13 14 O 0.69604006689837 0.87751627855149 0.54566662443325 15.999 > 13 15 O 0.30395993310163 0.12751627855149 0.95433337556675 15.999 > 15 16 O 0.30395993310163 0.62751627855149 0.95433337556675 15.999 > 15 17 O 0.24680544784429 0.16018974156101 0.19036593364407 15.999 > 17 18 O 0.24680544784429 0.66018974156101 0.19036593364407 15.999 > 17 19 O 0.75319455215571 0.41018974156101 0.30963406635593 15.999 > 19 20 O 0.75319455215571 0.91018974156101 0.30963406635593 15.999 > 19 21 O 0.75319455215571 0.33981025843899 0.80963406635593 15.999 > 21 22 O 0.75319455215571 0.83981025843899 0.80963406635593 15.999 > 21 23 O 0.24680544784429 0.08981025843899 0.69036593364407 15.999 > 23 24 O 0.24680544784429 0.58981025843899 0.69036593364407 15.999 > 23 25 O 0.88303082045732 0.27388118628829 0.44576234443158 15.999 > 25 26 O 0.88303082045732 0.77388118628829 0.44576234443158 15.999 > 25 27 O 0.11696917954268 0.02388118628829 0.05423765556842 15.999 > 27 28 O 0.11696917954268 0.52388118628829 0.05423765556842 15.999 > 27 29 O 0.11696917954268 0.22611881371171 0.55423765556842 15.999 > 29 30 O 0.11696917954268 0.72611881371171 0.55423765556842 15.999 > 29 31 O 0.88303082045732 0.47611881371171 0.94576234443158 15.999 > 31 32 O 0.88303082045732 0.97611881371171 0.94576234443158 15.999 > 31 33 O 0.88004781584365 0.16746634226228 0.97095277409474 15.999 > 33 34 O 0.88004781584365 0.66746634226228 0.97095277409474 15.999 > 33 35 O 0.11995218415635 0.41746634226228 0.52904722590526 15.999 > 35 36 O 0.11995218415635 0.91746634226228 0.52904722590526 15.999 > 35 37 O 0.11995218415635 0.33253365773772 0.02904722590527 15.999 > 37 38 O 0.11995218415635 0.83253365773772 0.02904722590527 15.999 > 37 39 O 0.88004781584365 0.08253365773772 0.47095277409474 15.999 > 39 40 O 0.88004781584365 0.58253365773772 0.47095277409474 15.999 > 39 41 O 0.62694993731894 0.07472314536228 0.60229632201553 15.999 > 41 42 O 0.62694993731894 0.57472314536227 0.60229632201553 15.999 > 41 43 O 0.37305006268106 0.32472314536227 0.89770367798447 15.999 > 43 44 O 0.37305006268106 0.82472314536227 0.89770367798447 15.999 > 43 45 O 0.37305006268106 0.42527685463773 0.39770367798447 15.999 > 45 46 O 0.37305006268106 0.92527685463773 0.39770367798447 15.999 > 45 47 O 0.62694993731894 0.17527685463772 0.10229632201553 15.999 > 47 48 O 0.62694993731894 0.67527685463773 0.10229632201553 15.999 > 47 49 O 0.86624653433203 0.17000434470407 0.69603460419665 15.999 > 49 50 O 0.86624653433203 0.67000434470407 0.69603460419665 15.999 > 49 51 O 0.13375346566797 0.42000434470407 0.80396539580335 15.999 > 51 52 O 0.13375346566797 0.92000434470407 0.80396539580335 15.999 > 51 53 O 0.13375346566797 0.32999565529593 0.30396539580335 15.999 > 53 54 O 0.13375346566797 0.82999565529593 0.30396539580335 15.999 > 53 55 O 0.86624653433203 0.07999565529593 0.19603460419665 15.999 > 55 56 O 0.86624653433203 0.57999565529593 0.19603460419665 15.999 > 55 57 O 0.89817388553507 0.49833134565598 0.68897208878874 15.999 > 57 58 O 0.89817388553507 0.99833134565598 0.68897208878874 15.999 > 57 59 O 0.10182611446493 0.24833134565598 0.81102791121126 15.999 > 59 60 O 0.10182611446493 0.74833134565598 0.81102791121126 15.999 > 59 61 O 0.10182611446493 0.00166865434402 0.31102791121126 15.999 > 61 62 O 0.10182611446493 0.50166865434402 0.31102791121126 15.999 > 61 63 O 0.89817388553507 0.25166865434402 0.18897208878874 15.999 > 63 64 O 0.89817388553507 0.75166865434402 0.18897208878874 15.999 > 63 65 K 0.56680156608571 0.07214555579420 0.34198538544724 39.098 > 65 66 K 0.56680156608571 0.57214555579420 0.34198538544724 39.098 > 65 67 K 0.56680156608571 0.17785444420580 0.84198538544724 39.098 > 67 68 K 0.56680156608571 0.67785444420580 0.84198538544724 39.098 > 67 69 K 0.43319843391428 0.42785444420580 0.65801461455276 39.098 > 69 70 K 0.43319843391428 0.92785444420580 0.65801461455276 39.098 > 69 71 K 0.43319843391428 0.32214555579420 0.15801461455276 39.098 > 71 72 K 0.43319843391428 0.82214555579420 0.15801461455276 39.098 > 71 73 Se 0.18877942776474 0.41861847425940 0.39185689226896 78.960 > 73 74 Se 0.18877942776474 0.91861847425940 0.39185689226896 78.960 > 73 75 Se 0.28004241171755 0.07951009832834 0.08889803270286 78.960 > 75 76 Se 0.28004241171755 0.57951009832834 0.08889803270286 78.960 > 75 77 Se 0.18877942776474 0.33138152574060 0.89185689226896 78.960 > 77 78 Se 0.18877942776474 0.83138152574060 0.89185689226896 78.960 > 77 79 Se 0.81122057223526 0.08138152574060 0.60814310773104 78.960 > 79 80 Se 0.81122057223526 0.58138152574060 0.60814310773104 78.960 > 79 81 Se 0.71995758828245 0.42048990167166 0.91110196729714 78.960 > 81 82 Se 0.71995758828245 0.92048990167166 0.91110196729714 78.960 > 81 83 Se 0.28004241171755 0.17048990167166 0.58889803270286 78.960 > 83 84 Se 0.28004241171755 0.67048990167166 0.58889803270286 78.960 > 83 85 Se 0.71995758828245 0.32951009832834 0.41110196729714 78.960 > 85 86 Se 0.71995758828245 0.82951009832834 0.41110196729714 78.960 > 85 87 Se 0.81122057223526 0.16861847425940 0.10814310773104 78.960 > 87 88 Se 0.81122057223526 0.66861847425940 0.10814310773104 78.960 > 87 89 Pr 0.05668247373322 0.16732758567567 0.34764489736086 140.908 > 89 90 Pr 0.05668247373322 0.66732758567567 0.34764489736086 140.908 > 89 91 Pr 0.94331752626678 0.41732758567567 0.15235510263914 140.908 > 91 92 Pr 0.94331752626678 0.91732758567567 0.15235510263914 140.908 > 91 93 Pr 0.94331752626678 0.33267241432433 0.65235510263914 140.908 > 93 94 Pr 0.94331752626678 0.83267241432433 0.65235510263914 140.908 > 93 95 Pr 0.05668247373322 0.08267241432433 0.84764489736086 140.908 > 95 96 Pr 0.05668247373322 0.58267241432433 0.84764489736086 140.908 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0207266 0.0000000 0.0834592 0.0000000 3.0706519 0.0000000 0.0834632 0.0000000 3.2980001 -------------------------- Born effective charges -------------------------- 1 O -1.4443358 -0.4094645 -0.3069677 -0.2604314 -1.2163232 -0.1466777 -0.2729684 -0.1192939 -1.0720736 2 O -1.4443358 0.4094645 -0.3069677 0.2604314 -1.2163232 0.1466777 -0.2729684 0.1192939 -1.0720736 3 O -1.4443358 -0.4094645 -0.3069677 -0.2604314 -1.2163232 -0.1466777 -0.2729684 -0.1192939 -1.0720736 4 O -1.4443358 0.4094645 -0.3069677 0.2604314 -1.2163232 0.1466777 -0.2729684 0.1192939 -1.0720736 5 O -1.3495002 0.1485114 -0.0595622 0.1161404 -1.0823015 -0.3447458 -0.3287847 -0.2579771 -1.9238133 6 O -1.3495002 -0.1485114 -0.0595622 -0.1161404 -1.0823015 0.3447458 -0.3287847 0.2579771 -1.9238133 7 O -1.3495002 0.1485114 -0.0595622 0.1161404 -1.0823015 -0.3447458 -0.3287847 -0.2579771 -1.9238133 8 O -1.3495002 -0.1485114 -0.0595622 -0.1161404 -1.0823015 0.3447458 -0.3287847 0.2579771 -1.9238133 9 O -1.2766015 0.1397968 0.4076522 0.2616829 -1.4510016 -0.6664136 0.6725837 -0.6959461 -2.1266397 10 O -1.2766015 -0.1397968 0.4076522 -0.2616829 -1.4510016 0.6664136 0.6725837 0.6959461 -2.1266397 11 O -1.2766015 0.1397968 0.4076522 0.2616829 -1.4510016 -0.6664136 0.6725837 -0.6959461 -2.1266397 12 O -1.2766015 -0.1397968 0.4076522 -0.2616829 -1.4510016 0.6664136 0.6725837 0.6959461 -2.1266397 13 O -1.8364985 0.5816755 -0.2657157 0.7591627 -1.5004626 -0.1481204 -0.2225432 -0.0758689 -1.6435271 14 O -1.8364985 -0.5816755 -0.2657157 -0.7591627 -1.5004626 0.1481204 -0.2225432 0.0758689 -1.6435271 15 O -1.8364985 0.5816755 -0.2657157 0.7591627 -1.5004626 -0.1481204 -0.2225432 -0.0758689 -1.6435271 16 O -1.8364985 -0.5816755 -0.2657157 -0.7591627 -1.5004626 0.1481204 -0.2225432 0.0758689 -1.6435271 17 O -1.2746523 0.2174807 0.5346684 0.2906169 -1.0681830 -0.3761199 0.7994930 -0.3389883 -2.2043847 18 O -1.2746523 -0.2174807 0.5346684 -0.2906169 -1.0681830 0.3761199 0.7994930 0.3389883 -2.2043847 19 O -1.2746523 0.2174807 0.5346684 0.2906169 -1.0681830 -0.3761199 0.7994930 -0.3389883 -2.2043847 20 O -1.2746523 -0.2174807 0.5346684 -0.2906169 -1.0681830 0.3761199 0.7994930 0.3389883 -2.2043847 21 O -1.7926293 -0.0891591 -0.0625447 -0.1777350 -0.9335586 0.0372476 -0.0950726 -0.0567593 -1.0150024 22 O -1.7926293 0.0891591 -0.0625447 0.1777350 -0.9335586 -0.0372476 -0.0950726 0.0567593 -1.0150024 23 O -1.7926293 -0.0891591 -0.0625447 -0.1777350 -0.9335586 0.0372476 -0.0950726 -0.0567593 -1.0150024 24 O -1.7926293 0.0891591 -0.0625447 0.1777350 -0.9335586 -0.0372476 -0.0950726 0.0567593 -1.0150024 25 O -1.1299243 -0.2536817 -0.2829906 -0.3695054 -2.3233192 -0.3446103 -0.4070511 -0.2285955 -1.5968089 26 O -1.1299243 0.2536817 -0.2829906 0.3695054 -2.3233192 0.3446103 -0.4070511 0.2285955 -1.5968089 27 O -1.1299243 -0.2536817 -0.2829906 -0.3695054 -2.3233192 -0.3446103 -0.4070511 -0.2285955 -1.5968089 28 O -1.1299243 0.2536817 -0.2829906 0.3695054 -2.3233192 0.3446103 -0.4070511 0.2285955 -1.5968089 29 O -1.1728331 0.2412369 -0.4035801 0.4019560 -2.3381575 0.3318018 -0.4809827 0.0977427 -1.6713692 30 O -1.1728331 -0.2412369 -0.4035801 -0.4019560 -2.3381575 -0.3318018 -0.4809827 -0.0977427 -1.6713692 31 O -1.1728331 0.2412369 -0.4035801 0.4019560 -2.3381575 0.3318018 -0.4809827 0.0977427 -1.6713692 32 O -1.1728331 -0.2412369 -0.4035801 -0.4019560 -2.3381575 -0.3318018 -0.4809827 -0.0977427 -1.6713692 33 K 1.4862763 0.2132896 0.0675377 -0.0140783 1.2428571 -0.0075383 0.0265478 0.0639714 1.2531631 34 K 1.4862763 -0.2132896 0.0675377 0.0140783 1.2428571 0.0075383 0.0265478 -0.0639714 1.2531631 35 K 1.4862763 0.2132896 0.0675377 -0.0140783 1.2428571 -0.0075383 0.0265478 0.0639714 1.2531631 36 K 1.4862763 -0.2132896 0.0675377 0.0140783 1.2428571 0.0075383 0.0265478 -0.0639714 1.2531631 37 Se 3.0808226 0.0433081 0.1587842 0.1892824 3.4650080 -0.2225054 0.1420211 0.1328092 3.6660780 38 Se 3.3285062 -0.0987930 0.2827733 0.1937366 3.0275730 0.1591274 0.2225425 0.3787191 3.6743521 39 Se 3.0808226 -0.0433081 0.1587842 -0.1892824 3.4650080 0.2225054 0.1420211 -0.1328092 3.6660780 40 Se 3.0808226 0.0433081 0.1587842 0.1892824 3.4650080 -0.2225054 0.1420211 0.1328092 3.6660780 41 Se 3.3285062 -0.0987930 0.2827733 0.1937366 3.0275730 0.1591274 0.2225425 0.3787191 3.6743521 42 Se 3.3285062 0.0987930 0.2827733 -0.1937366 3.0275730 -0.1591274 0.2225425 -0.3787191 3.6743521 43 Se 3.3285062 0.0987930 0.2827733 -0.1937366 3.0275730 -0.1591274 0.2225425 -0.3787191 3.6743521 44 Se 3.0808226 -0.0433081 0.1587842 -0.1892824 3.4650080 0.2225054 0.1420211 -0.1328092 3.6660780 45 Pr 3.3813701 -0.2239806 -0.0700549 -0.3724173 4.1778689 0.4060865 -0.0557855 -0.1694964 4.6600257 46 Pr 3.3813701 0.2239806 -0.0700549 0.3724173 4.1778689 -0.4060865 -0.0557855 0.1694964 4.6600257 47 Pr 3.3813701 -0.2239806 -0.0700549 -0.3724173 4.1778689 0.4060865 -0.0557855 -0.1694964 4.6600257 48 Pr 3.3813701 0.2239806 -0.0700549 0.3724173 4.1778689 -0.4060865 -0.0557855 0.1694964 4.6600257 ---------------------------------------------------------------------------- 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] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 41, 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] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 65, 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] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 73, 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] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 75, 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] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 89, 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] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xy) 0.00000000 (xy) 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 00:31:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:31:37]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.840648900275468 0.000000000000000 0.000000000000000 b 0.000000000000000 7.381571090000001 0.000000000000000 c -0.288753583848481 0.000000000000000 11.100044699829295 Atomic positions (fractional): 1 O 0.58833583739267 0.51974801905719 0.36374783197440 15.999 2 O 0.41166416260733 0.01974801905719 0.13625216802560 15.999 3 O 0.41166416260733 0.48025198094281 0.63625216802560 15.999 4 O 0.58833583739267 0.98025198094281 0.86374783197440 15.999 5 O 0.30395993310163 0.24496744289702 0.45433337556675 15.999 6 O 0.69604006689837 0.74496744289702 0.04566662443325 15.999 7 O 0.69604006689837 0.75503255710298 0.54566662443325 15.999 8 O 0.30395993310163 0.25503255710298 0.95433337556675 15.999 9 O 0.24680544784429 0.32037948312201 0.19036593364407 15.999 10 O 0.75319455215571 0.82037948312201 0.30963406635593 15.999 11 O 0.75319455215571 0.67962051687799 0.80963406635593 15.999 12 O 0.24680544784429 0.17962051687799 0.69036593364407 15.999 13 O 0.88303082045732 0.54776237257659 0.44576234443158 15.999 14 O 0.11696917954268 0.04776237257659 0.05423765556842 15.999 15 O 0.11696917954268 0.45223762742341 0.55423765556842 15.999 16 O 0.88303082045732 0.95223762742341 0.94576234443158 15.999 17 O 0.88004781584365 0.33493268452457 0.97095277409474 15.999 18 O 0.11995218415635 0.83493268452457 0.52904722590526 15.999 19 O 0.11995218415635 0.66506731547543 0.02904722590527 15.999 20 O 0.88004781584365 0.16506731547543 0.47095277409474 15.999 21 O 0.62694993731894 0.14944629072455 0.60229632201553 15.999 22 O 0.37305006268106 0.64944629072455 0.89770367798447 15.999 23 O 0.37305006268106 0.85055370927545 0.39770367798447 15.999 24 O 0.62694993731894 0.35055370927545 0.10229632201553 15.999 25 O 0.86624653433203 0.34000868940813 0.69603460419665 15.999 26 O 0.13375346566797 0.84000868940813 0.80396539580335 15.999 27 O 0.13375346566797 0.65999131059187 0.30396539580335 15.999 28 O 0.86624653433203 0.15999131059187 0.19603460419665 15.999 29 O 0.89817388553507 0.99666269131196 0.68897208878874 15.999 30 O 0.10182611446493 0.49666269131196 0.81102791121126 15.999 31 O 0.10182611446493 0.00333730868804 0.31102791121126 15.999 32 O 0.89817388553507 0.50333730868804 0.18897208878874 15.999 33 K 0.56680156608571 0.14429111158839 0.34198538544724 39.098 34 K 0.56680156608571 0.35570888841161 0.84198538544724 39.098 35 K 0.43319843391428 0.85570888841161 0.65801461455276 39.098 36 K 0.43319843391428 0.64429111158839 0.15801461455276 39.098 37 Se 0.18877942776474 0.83723694851879 0.39185689226896 78.960 38 Se 0.28004241171755 0.15902019665668 0.08889803270286 78.960 39 Se 0.18877942776474 0.66276305148121 0.89185689226896 78.960 40 Se 0.81122057223526 0.16276305148121 0.60814310773104 78.960 41 Se 0.71995758828245 0.84097980334332 0.91110196729714 78.960 42 Se 0.28004241171755 0.34097980334332 0.58889803270286 78.960 43 Se 0.71995758828245 0.65902019665668 0.41110196729714 78.960 44 Se 0.81122057223526 0.33723694851879 0.10814310773104 78.960 45 Pr 0.05668247373322 0.33465517135134 0.34764489736086 140.908 46 Pr 0.94331752626678 0.83465517135134 0.15235510263914 140.908 47 Pr 0.94331752626678 0.66534482864866 0.65235510263914 140.908 48 Pr 0.05668247373322 0.16534482864866 0.84764489736086 140.908 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.840648900275468 0.000000000000000 0.000000000000000 b 0.000000000000000 14.763142180000003 0.000000000000000 c -0.288753583848481 0.000000000000000 11.100044699829295 Atomic positions (fractional): 1 O 0.58833583739267 0.25987400952860 0.36374783197440 15.999 > 1 2 O 0.58833583739267 0.75987400952860 0.36374783197440 15.999 > 1 3 O 0.41166416260733 0.00987400952860 0.13625216802560 15.999 > 3 4 O 0.41166416260733 0.50987400952860 0.13625216802560 15.999 > 3 5 O 0.41166416260733 0.24012599047140 0.63625216802560 15.999 > 5 6 O 0.41166416260733 0.74012599047140 0.63625216802560 15.999 > 5 7 O 0.58833583739267 0.49012599047140 0.86374783197440 15.999 > 7 8 O 0.58833583739267 0.99012599047140 0.86374783197440 15.999 > 7 9 O 0.30395993310163 0.12248372144851 0.45433337556675 15.999 > 9 10 O 0.30395993310163 0.62248372144851 0.45433337556675 15.999 > 9 11 O 0.69604006689837 0.37248372144851 0.04566662443325 15.999 > 11 12 O 0.69604006689837 0.87248372144851 0.04566662443325 15.999 > 11 13 O 0.69604006689837 0.37751627855149 0.54566662443325 15.999 > 13 14 O 0.69604006689837 0.87751627855149 0.54566662443325 15.999 > 13 15 O 0.30395993310163 0.12751627855149 0.95433337556675 15.999 > 15 16 O 0.30395993310163 0.62751627855149 0.95433337556675 15.999 > 15 17 O 0.24680544784429 0.16018974156101 0.19036593364407 15.999 > 17 18 O 0.24680544784429 0.66018974156101 0.19036593364407 15.999 > 17 19 O 0.75319455215571 0.41018974156101 0.30963406635593 15.999 > 19 20 O 0.75319455215571 0.91018974156101 0.30963406635593 15.999 > 19 21 O 0.75319455215571 0.33981025843899 0.80963406635593 15.999 > 21 22 O 0.75319455215571 0.83981025843899 0.80963406635593 15.999 > 21 23 O 0.24680544784429 0.08981025843899 0.69036593364407 15.999 > 23 24 O 0.24680544784429 0.58981025843899 0.69036593364407 15.999 > 23 25 O 0.88303082045732 0.27388118628829 0.44576234443158 15.999 > 25 26 O 0.88303082045732 0.77388118628829 0.44576234443158 15.999 > 25 27 O 0.11696917954268 0.02388118628829 0.05423765556842 15.999 > 27 28 O 0.11696917954268 0.52388118628829 0.05423765556842 15.999 > 27 29 O 0.11696917954268 0.22611881371171 0.55423765556842 15.999 > 29 30 O 0.11696917954268 0.72611881371171 0.55423765556842 15.999 > 29 31 O 0.88303082045732 0.47611881371171 0.94576234443158 15.999 > 31 32 O 0.88303082045732 0.97611881371171 0.94576234443158 15.999 > 31 33 O 0.88004781584365 0.16746634226228 0.97095277409474 15.999 > 33 34 O 0.88004781584365 0.66746634226228 0.97095277409474 15.999 > 33 35 O 0.11995218415635 0.41746634226228 0.52904722590526 15.999 > 35 36 O 0.11995218415635 0.91746634226228 0.52904722590526 15.999 > 35 37 O 0.11995218415635 0.33253365773772 0.02904722590527 15.999 > 37 38 O 0.11995218415635 0.83253365773772 0.02904722590527 15.999 > 37 39 O 0.88004781584365 0.08253365773772 0.47095277409474 15.999 > 39 40 O 0.88004781584365 0.58253365773772 0.47095277409474 15.999 > 39 41 O 0.62694993731894 0.07472314536228 0.60229632201553 15.999 > 41 42 O 0.62694993731894 0.57472314536227 0.60229632201553 15.999 > 41 43 O 0.37305006268106 0.32472314536227 0.89770367798447 15.999 > 43 44 O 0.37305006268106 0.82472314536227 0.89770367798447 15.999 > 43 45 O 0.37305006268106 0.42527685463773 0.39770367798447 15.999 > 45 46 O 0.37305006268106 0.92527685463773 0.39770367798447 15.999 > 45 47 O 0.62694993731894 0.17527685463772 0.10229632201553 15.999 > 47 48 O 0.62694993731894 0.67527685463773 0.10229632201553 15.999 > 47 49 O 0.86624653433203 0.17000434470407 0.69603460419665 15.999 > 49 50 O 0.86624653433203 0.67000434470407 0.69603460419665 15.999 > 49 51 O 0.13375346566797 0.42000434470407 0.80396539580335 15.999 > 51 52 O 0.13375346566797 0.92000434470407 0.80396539580335 15.999 > 51 53 O 0.13375346566797 0.32999565529593 0.30396539580335 15.999 > 53 54 O 0.13375346566797 0.82999565529593 0.30396539580335 15.999 > 53 55 O 0.86624653433203 0.07999565529593 0.19603460419665 15.999 > 55 56 O 0.86624653433203 0.57999565529593 0.19603460419665 15.999 > 55 57 O 0.89817388553507 0.49833134565598 0.68897208878874 15.999 > 57 58 O 0.89817388553507 0.99833134565598 0.68897208878874 15.999 > 57 59 O 0.10182611446493 0.24833134565598 0.81102791121126 15.999 > 59 60 O 0.10182611446493 0.74833134565598 0.81102791121126 15.999 > 59 61 O 0.10182611446493 0.00166865434402 0.31102791121126 15.999 > 61 62 O 0.10182611446493 0.50166865434402 0.31102791121126 15.999 > 61 63 O 0.89817388553507 0.25166865434402 0.18897208878874 15.999 > 63 64 O 0.89817388553507 0.75166865434402 0.18897208878874 15.999 > 63 65 K 0.56680156608571 0.07214555579420 0.34198538544724 39.098 > 65 66 K 0.56680156608571 0.57214555579420 0.34198538544724 39.098 > 65 67 K 0.56680156608571 0.17785444420580 0.84198538544724 39.098 > 67 68 K 0.56680156608571 0.67785444420580 0.84198538544724 39.098 > 67 69 K 0.43319843391428 0.42785444420580 0.65801461455276 39.098 > 69 70 K 0.43319843391428 0.92785444420580 0.65801461455276 39.098 > 69 71 K 0.43319843391428 0.32214555579420 0.15801461455276 39.098 > 71 72 K 0.43319843391428 0.82214555579420 0.15801461455276 39.098 > 71 73 Se 0.18877942776474 0.41861847425940 0.39185689226896 78.960 > 73 74 Se 0.18877942776474 0.91861847425940 0.39185689226896 78.960 > 73 75 Se 0.28004241171755 0.07951009832834 0.08889803270286 78.960 > 75 76 Se 0.28004241171755 0.57951009832834 0.08889803270286 78.960 > 75 77 Se 0.18877942776474 0.33138152574060 0.89185689226896 78.960 > 77 78 Se 0.18877942776474 0.83138152574060 0.89185689226896 78.960 > 77 79 Se 0.81122057223526 0.08138152574060 0.60814310773104 78.960 > 79 80 Se 0.81122057223526 0.58138152574060 0.60814310773104 78.960 > 79 81 Se 0.71995758828245 0.42048990167166 0.91110196729714 78.960 > 81 82 Se 0.71995758828245 0.92048990167166 0.91110196729714 78.960 > 81 83 Se 0.28004241171755 0.17048990167166 0.58889803270286 78.960 > 83 84 Se 0.28004241171755 0.67048990167166 0.58889803270286 78.960 > 83 85 Se 0.71995758828245 0.32951009832834 0.41110196729714 78.960 > 85 86 Se 0.71995758828245 0.82951009832834 0.41110196729714 78.960 > 85 87 Se 0.81122057223526 0.16861847425940 0.10814310773104 78.960 > 87 88 Se 0.81122057223526 0.66861847425940 0.10814310773104 78.960 > 87 89 Pr 0.05668247373322 0.16732758567567 0.34764489736086 140.908 > 89 90 Pr 0.05668247373322 0.66732758567567 0.34764489736086 140.908 > 89 91 Pr 0.94331752626678 0.41732758567567 0.15235510263914 140.908 > 91 92 Pr 0.94331752626678 0.91732758567567 0.15235510263914 140.908 > 91 93 Pr 0.94331752626678 0.33267241432433 0.65235510263914 140.908 > 93 94 Pr 0.94331752626678 0.83267241432433 0.65235510263914 140.908 > 93 95 Pr 0.05668247373322 0.08267241432433 0.84764489736086 140.908 > 95 96 Pr 0.05668247373322 0.58267241432433 0.84764489736086 140.908 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.0207266 0.0000000 0.0834592 0.0000000 3.0706519 0.0000000 0.0834632 0.0000000 3.2980001 -------------------------- Born effective charges -------------------------- 1 O -1.4443358 -0.4094645 -0.3069677 -0.2604314 -1.2163232 -0.1466777 -0.2729684 -0.1192939 -1.0720736 2 O -1.4443358 0.4094645 -0.3069677 0.2604314 -1.2163232 0.1466777 -0.2729684 0.1192939 -1.0720736 3 O -1.4443358 -0.4094645 -0.3069677 -0.2604314 -1.2163232 -0.1466777 -0.2729684 -0.1192939 -1.0720736 4 O -1.4443358 0.4094645 -0.3069677 0.2604314 -1.2163232 0.1466777 -0.2729684 0.1192939 -1.0720736 5 O -1.3495002 0.1485114 -0.0595622 0.1161404 -1.0823015 -0.3447458 -0.3287847 -0.2579771 -1.9238133 6 O -1.3495002 -0.1485114 -0.0595622 -0.1161404 -1.0823015 0.3447458 -0.3287847 0.2579771 -1.9238133 7 O -1.3495002 0.1485114 -0.0595622 0.1161404 -1.0823015 -0.3447458 -0.3287847 -0.2579771 -1.9238133 8 O -1.3495002 -0.1485114 -0.0595622 -0.1161404 -1.0823015 0.3447458 -0.3287847 0.2579771 -1.9238133 9 O -1.2766015 0.1397968 0.4076522 0.2616829 -1.4510016 -0.6664136 0.6725837 -0.6959461 -2.1266397 10 O -1.2766015 -0.1397968 0.4076522 -0.2616829 -1.4510016 0.6664136 0.6725837 0.6959461 -2.1266397 11 O -1.2766015 0.1397968 0.4076522 0.2616829 -1.4510016 -0.6664136 0.6725837 -0.6959461 -2.1266397 12 O -1.2766015 -0.1397968 0.4076522 -0.2616829 -1.4510016 0.6664136 0.6725837 0.6959461 -2.1266397 13 O -1.8364985 0.5816755 -0.2657157 0.7591627 -1.5004626 -0.1481204 -0.2225432 -0.0758689 -1.6435271 14 O -1.8364985 -0.5816755 -0.2657157 -0.7591627 -1.5004626 0.1481204 -0.2225432 0.0758689 -1.6435271 15 O -1.8364985 0.5816755 -0.2657157 0.7591627 -1.5004626 -0.1481204 -0.2225432 -0.0758689 -1.6435271 16 O -1.8364985 -0.5816755 -0.2657157 -0.7591627 -1.5004626 0.1481204 -0.2225432 0.0758689 -1.6435271 17 O -1.2746523 0.2174807 0.5346684 0.2906169 -1.0681830 -0.3761199 0.7994930 -0.3389883 -2.2043847 18 O -1.2746523 -0.2174807 0.5346684 -0.2906169 -1.0681830 0.3761199 0.7994930 0.3389883 -2.2043847 19 O -1.2746523 0.2174807 0.5346684 0.2906169 -1.0681830 -0.3761199 0.7994930 -0.3389883 -2.2043847 20 O -1.2746523 -0.2174807 0.5346684 -0.2906169 -1.0681830 0.3761199 0.7994930 0.3389883 -2.2043847 21 O -1.7926293 -0.0891591 -0.0625447 -0.1777350 -0.9335586 0.0372476 -0.0950726 -0.0567593 -1.0150024 22 O -1.7926293 0.0891591 -0.0625447 0.1777350 -0.9335586 -0.0372476 -0.0950726 0.0567593 -1.0150024 23 O -1.7926293 -0.0891591 -0.0625447 -0.1777350 -0.9335586 0.0372476 -0.0950726 -0.0567593 -1.0150024 24 O -1.7926293 0.0891591 -0.0625447 0.1777350 -0.9335586 -0.0372476 -0.0950726 0.0567593 -1.0150024 25 O -1.1299243 -0.2536817 -0.2829906 -0.3695054 -2.3233192 -0.3446103 -0.4070511 -0.2285955 -1.5968089 26 O -1.1299243 0.2536817 -0.2829906 0.3695054 -2.3233192 0.3446103 -0.4070511 0.2285955 -1.5968089 27 O -1.1299243 -0.2536817 -0.2829906 -0.3695054 -2.3233192 -0.3446103 -0.4070511 -0.2285955 -1.5968089 28 O -1.1299243 0.2536817 -0.2829906 0.3695054 -2.3233192 0.3446103 -0.4070511 0.2285955 -1.5968089 29 O -1.1728331 0.2412369 -0.4035801 0.4019560 -2.3381575 0.3318018 -0.4809827 0.0977427 -1.6713692 30 O -1.1728331 -0.2412369 -0.4035801 -0.4019560 -2.3381575 -0.3318018 -0.4809827 -0.0977427 -1.6713692 31 O -1.1728331 0.2412369 -0.4035801 0.4019560 -2.3381575 0.3318018 -0.4809827 0.0977427 -1.6713692 32 O -1.1728331 -0.2412369 -0.4035801 -0.4019560 -2.3381575 -0.3318018 -0.4809827 -0.0977427 -1.6713692 33 K 1.4862763 0.2132896 0.0675377 -0.0140783 1.2428571 -0.0075383 0.0265478 0.0639714 1.2531631 34 K 1.4862763 -0.2132896 0.0675377 0.0140783 1.2428571 0.0075383 0.0265478 -0.0639714 1.2531631 35 K 1.4862763 0.2132896 0.0675377 -0.0140783 1.2428571 -0.0075383 0.0265478 0.0639714 1.2531631 36 K 1.4862763 -0.2132896 0.0675377 0.0140783 1.2428571 0.0075383 0.0265478 -0.0639714 1.2531631 37 Se 3.0808226 0.0433081 0.1587842 0.1892824 3.4650080 -0.2225054 0.1420211 0.1328092 3.6660780 38 Se 3.3285062 -0.0987930 0.2827733 0.1937366 3.0275730 0.1591274 0.2225425 0.3787191 3.6743521 39 Se 3.0808226 -0.0433081 0.1587842 -0.1892824 3.4650080 0.2225054 0.1420211 -0.1328092 3.6660780 40 Se 3.0808226 0.0433081 0.1587842 0.1892824 3.4650080 -0.2225054 0.1420211 0.1328092 3.6660780 41 Se 3.3285062 -0.0987930 0.2827733 0.1937366 3.0275730 0.1591274 0.2225425 0.3787191 3.6743521 42 Se 3.3285062 0.0987930 0.2827733 -0.1937366 3.0275730 -0.1591274 0.2225425 -0.3787191 3.6743521 43 Se 3.3285062 0.0987930 0.2827733 -0.1937366 3.0275730 -0.1591274 0.2225425 -0.3787191 3.6743521 44 Se 3.0808226 -0.0433081 0.1587842 -0.1892824 3.4650080 0.2225054 0.1420211 -0.1328092 3.6660780 45 Pr 3.3813701 -0.2239806 -0.0700549 -0.3724173 4.1778689 0.4060865 -0.0557855 -0.1694964 4.6600257 46 Pr 3.3813701 0.2239806 -0.0700549 0.3724173 4.1778689 -0.4060865 -0.0557855 0.1694964 4.6600257 47 Pr 3.3813701 -0.2239806 -0.0700549 -0.3724173 4.1778689 0.4060865 -0.0557855 -0.1694964 4.6600257 48 Pr 3.3813701 0.2239806 -0.0700549 0.3724173 4.1778689 -0.4060865 -0.0557855 0.1694964 4.6600257 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- 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 ... [ 6 7 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: 0.46, Number of G-points: 301, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/64) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 64 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 1.764 ( 0.000 0.000 0.000) 0.000 1.796 ( 0.000 0.000 0.000) 0.000 1.864 ( 0.000 0.000 0.000) 0.000 1.987 ( 0.000 0.000 0.000) 0.000 2.042 ( 0.000 0.000 0.000) 0.000 2.053 ( 0.000 0.000 0.000) 0.000 2.335 ( 0.000 0.000 0.000) 0.000 2.375 ( 0.000 0.000 0.000) 0.000 2.383 ( 0.000 0.000 0.000) 0.000 2.415 ( 0.000 0.000 0.000) 0.000 2.445 ( 0.000 0.000 0.000) 0.000 2.749 ( 0.000 0.000 0.000) 0.000 2.799 ( 0.000 0.000 0.000) 0.000 2.825 ( 0.000 0.000 0.000) 0.000 2.914 ( 0.000 0.000 0.000) 0.000 2.942 ( 0.000 0.000 0.000) 0.000 3.040 ( 0.000 0.000 0.000) 0.000 3.087 ( 0.000 0.000 0.000) 0.000 3.100 ( 0.000 0.000 0.000) 0.000 3.167 ( 0.000 0.000 0.000) 0.000 3.261 ( 0.000 0.000 0.000) 0.000 3.290 ( 0.000 0.000 0.000) 0.000 3.320 ( 0.000 0.000 0.000) 0.000 3.338 ( 0.000 0.000 0.000) 0.000 3.407 ( 0.000 0.000 0.000) 0.000 3.427 ( 0.000 0.000 0.000) 0.000 3.436 ( 0.000 0.000 0.000) 0.000 3.619 ( 0.000 0.000 0.000) 0.000 3.663 ( 0.000 0.000 0.000) 0.000 3.742 ( 0.000 0.000 0.000) 0.000 3.746 ( 0.000 0.000 0.000) 0.000 3.826 ( 0.000 0.000 0.000) 0.000 3.899 ( 0.000 0.000 0.000) 0.000 3.977 ( 0.000 0.000 0.000) 0.000 4.013 ( 0.000 0.000 0.000) 0.000 4.061 ( 0.000 0.000 0.000) 0.000 4.130 ( 0.000 0.000 0.000) 0.000 4.163 ( 0.000 0.000 0.000) 0.000 4.226 ( 0.000 0.000 0.000) 0.000 4.294 ( 0.000 0.000 0.000) 0.000 4.393 ( 0.000 0.000 0.000) 0.000 4.401 ( 0.000 0.000 0.000) 0.000 4.402 ( 0.000 0.000 0.000) 0.000 4.416 ( 0.000 0.000 0.000) 0.000 4.424 ( 0.000 0.000 0.000) 0.000 4.549 ( 0.000 0.000 0.000) 0.000 4.654 ( 0.000 0.000 0.000) 0.000 4.671 ( 0.000 0.000 0.000) 0.000 4.763 ( 0.000 0.000 0.000) 0.000 4.793 ( 0.000 0.000 0.000) 0.000 4.852 ( 0.000 0.000 0.000) 0.000 4.890 ( 0.000 0.000 0.000) 0.000 4.995 ( 0.000 0.000 0.000) 0.000 5.129 ( 0.000 0.000 0.000) 0.000 5.163 ( 0.000 0.000 0.000) 0.000 5.260 ( 0.000 0.000 0.000) 0.000 5.326 ( 0.000 0.000 0.000) 0.000 5.414 ( 0.000 0.000 0.000) 0.000 5.670 ( 0.000 0.000 0.000) 0.000 5.712 ( 0.000 0.000 0.000) 0.000 5.760 ( 0.000 0.000 0.000) 0.000 6.350 ( 0.000 0.000 0.000) 0.000 6.376 ( 0.000 0.000 0.000) 0.000 6.382 ( 0.000 0.000 0.000) 0.000 6.509 ( 0.000 0.000 0.000) 0.000 6.804 ( 0.000 0.000 0.000) 0.000 6.899 ( 0.000 0.000 0.000) 0.000 6.988 ( 0.000 0.000 0.000) 0.000 7.080 ( 0.000 0.000 0.000) 0.000 8.741 ( 0.000 0.000 0.000) 0.000 8.756 ( 0.000 0.000 0.000) 0.000 8.995 ( 0.000 0.000 0.000) 0.000 9.046 ( 0.000 0.000 0.000) 0.000 9.106 ( 0.000 0.000 0.000) 0.000 9.274 ( 0.000 0.000 0.000) 0.000 9.301 ( 0.000 0.000 0.000) 0.000 9.414 ( 0.000 0.000 0.000) 0.000 10.042 ( 0.000 0.000 0.000) 0.000 10.069 ( 0.000 0.000 0.000) 0.000 10.099 ( 0.000 0.000 0.000) 0.000 10.323 ( 0.000 0.000 0.000) 0.000 10.406 ( 0.000 0.000 0.000) 0.000 10.437 ( 0.000 0.000 0.000) 0.000 10.544 ( 0.000 0.000 0.000) 0.000 10.554 ( 0.000 0.000 0.000) 0.000 10.742 ( 0.000 0.000 0.000) 0.000 10.795 ( 0.000 0.000 0.000) 0.000 10.809 ( 0.000 0.000 0.000) 0.000 10.970 ( 0.000 0.000 0.000) 0.000 11.043 ( 0.000 0.000 0.000) 0.000 11.094 ( 0.000 0.000 0.000) 0.000 11.284 ( 0.000 0.000 0.000) 0.000 11.340 ( 0.000 0.000 0.000) 0.000 11.592 ( 0.000 0.000 0.000) 0.000 11.703 ( 0.000 0.000 0.000) 0.000 11.888 ( 0.000 0.000 0.000) 0.000 11.982 ( 0.000 0.000 0.000) 0.000 12.259 ( 0.000 0.000 0.000) 0.000 12.275 ( 0.000 0.000 0.000) 0.000 12.350 ( 0.000 0.000 0.000) 0.000 12.425 ( 0.000 0.000 0.000) 0.000 13.192 ( 0.000 0.000 0.000) 0.000 13.590 ( 0.000 0.000 0.000) 0.000 13.704 ( 0.000 0.000 0.000) 0.000 13.806 ( 0.000 0.000 0.000) 0.000 14.010 ( 0.000 0.000 0.000) 0.000 14.446 ( 0.000 0.000 0.000) 0.000 14.596 ( 0.000 0.000 0.000) 0.000 14.612 ( 0.000 0.000 0.000) 0.000 22.212 ( 0.000 0.000 0.000) 0.000 22.240 ( 0.000 0.000 0.000) 0.000 22.958 ( 0.000 0.000 0.000) 0.000 22.970 ( 0.000 0.000 0.000) 0.000 23.157 ( 0.000 0.000 0.000) 0.000 23.360 ( 0.000 0.000 0.000) 0.000 23.791 ( 0.000 0.000 0.000) 0.000 23.836 ( 0.000 0.000 0.000) 0.000 23.896 ( 0.000 0.000 0.000) 0.000 24.115 ( 0.000 0.000 0.000) 0.000 24.162 ( 0.000 0.000 0.000) 0.000 24.213 ( 0.000 0.000 0.000) 0.000 24.350 ( 0.000 0.000 0.000) 0.000 24.427 ( 0.000 0.000 0.000) 0.000 24.443 ( 0.000 0.000 0.000) 0.000 24.559 ( 0.000 0.000 0.000) 0.000 24.681 ( 0.000 0.000 0.000) 0.000 24.782 ( 0.000 0.000 0.000) 0.000 24.954 ( 0.000 0.000 0.000) 0.000 25.332 ( 0.000 0.000 0.000) 0.000 25.403 ( 0.000 0.000 0.000) 0.000 25.533 ( 0.000 0.000 0.000) 0.000 25.887 ( 0.000 0.000 0.000) 0.000 26.739 ( 0.000 0.000 0.000) 0.000 27.195 ( 0.000 0.000 0.000) 0.000 27.197 ( 0.000 0.000 0.000) 0.000 27.246 ( 0.000 0.000 0.000) 0.000 27.392 ( 0.000 0.000 0.000) 0.000 27.540 ( 0.000 0.000 0.000) 0.000 27.607 ( 0.000 0.000 0.000) 0.000 27.803 ( 0.000 0.000 0.000) 0.000 28.215 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/64) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.345 ( 17.973 0.000 2.823) 18.194 0.470 ( 23.303 0.000 19.359) 30.296 0.569 ( 28.149 0.000 -5.099) 28.607 1.710 ( -4.875 0.000 11.490) 12.481 1.806 ( 3.970 0.000 -0.648) 4.022 1.880 ( 1.273 0.000 1.427) 1.913 2.013 ( 1.890 0.000 4.926) 5.276 2.045 ( 0.447 0.000 -6.795) 6.810 2.108 ( 1.426 0.000 -5.506) 5.688 2.264 ( -8.871 0.000 2.463) 9.207 2.385 ( 3.231 0.000 0.351) 3.250 2.397 ( -3.601 0.000 3.073) 4.734 2.434 ( 0.088 0.000 3.871) 3.872 2.492 ( 5.420 0.000 0.582) 5.452 2.666 ( -5.759 0.000 8.112) 9.949 2.756 ( -7.779 0.000 4.476) 8.975 2.814 ( -5.532 0.000 -1.478) 5.726 2.906 ( 7.721 0.000 -4.142) 8.762 2.976 ( 1.108 0.000 -1.603) 1.949 3.063 ( 1.563 0.000 -0.378) 1.608 3.096 ( -1.344 0.000 1.121) 1.750 3.108 ( -5.362 0.000 -6.834) 8.686 3.140 ( 0.788 0.000 1.273) 1.497 3.248 ( -4.243 0.000 -5.298) 6.788 3.291 ( 2.372 0.000 -3.218) 3.998 3.349 ( 1.240 0.000 0.244) 1.264 3.376 ( 1.227 0.000 0.105) 1.231 3.427 ( 1.197 0.000 2.403) 2.685 3.479 ( 3.058 0.000 -0.033) 3.059 3.507 ( -5.068 0.000 -9.734) 10.975 3.657 ( 2.876 0.000 -2.158) 3.595 3.726 ( -2.148 0.000 -3.852) 4.411 3.727 ( 2.120 0.000 -8.002) 8.278 3.771 ( 3.714 0.000 -1.897) 4.170 3.823 ( 0.050 0.000 1.869) 1.869 3.899 ( -2.473 0.000 1.089) 2.702 3.998 ( 2.184 0.000 4.085) 4.633 4.023 ( -5.956 0.000 -0.994) 6.039 4.119 ( 5.572 0.000 -0.591) 5.603 4.174 ( 1.071 0.000 -1.744) 2.046 4.212 ( -1.391 0.000 -4.025) 4.258 4.233 ( 3.854 0.000 5.601) 6.799 4.267 ( -2.393 0.000 -1.563) 2.858 4.339 ( -3.268 0.000 0.741) 3.351 4.380 ( -2.079 0.000 2.385) 3.164 4.417 ( 0.409 0.000 0.848) 0.942 4.463 ( 2.490 0.000 -3.045) 3.933 4.522 ( -2.388 0.000 2.685) 3.593 4.542 ( -1.223 0.000 -9.074) 9.156 4.624 ( -4.514 0.000 -1.699) 4.823 4.654 ( 0.896 0.000 0.728) 1.155 4.741 ( -1.526 0.000 0.291) 1.553 4.842 ( 2.999 0.000 -1.928) 3.566 4.881 ( 3.238 0.000 -0.586) 3.291 4.940 ( 3.399 0.000 11.461) 11.955 5.012 ( 1.429 0.000 -0.072) 1.431 5.132 ( -0.562 0.000 -0.781) 0.962 5.183 ( 1.680 0.000 -0.647) 1.801 5.272 ( 1.213 0.000 2.566) 2.838 5.346 ( 1.255 0.000 -0.438) 1.329 5.440 ( 2.982 0.000 1.818) 3.493 5.712 ( -0.037 0.000 1.341) 1.342 5.756 ( -0.339 0.000 -0.628) 0.714 6.153 ( -4.424 0.000 25.230) 25.615 6.347 ( -0.148 0.000 -3.989) 3.992 6.383 ( -0.597 0.000 6.586) 6.614 6.383 ( -0.088 0.000 3.656) 3.657 6.483 ( -2.574 0.000 -2.448) 3.552 6.791 ( -1.281 0.000 1.900) 2.291 6.900 ( 0.239 0.000 0.362) 0.433 6.951 ( -3.601 0.000 -2.212) 4.226 7.154 ( 1.455 0.000 -3.803) 4.072 8.705 ( -3.221 0.000 -0.282) 3.233 8.713 ( -3.897 0.000 -0.422) 3.920 9.027 ( 2.611 0.000 -0.348) 2.634 9.067 ( 1.834 0.000 0.225) 1.847 9.079 ( -2.478 0.000 0.755) 2.590 9.237 ( -2.362 0.000 -1.472) 2.783 9.324 ( 1.029 0.000 1.033) 1.458 9.439 ( 2.016 0.000 -1.403) 2.456 10.063 ( -0.685 0.000 0.424) 0.805 10.071 ( 0.185 0.000 0.707) 0.731 10.114 ( 1.159 0.000 -0.017) 1.159 10.290 ( -2.328 0.000 -2.314) 3.283 10.425 ( 0.795 0.000 1.096) 1.354 10.528 ( -1.497 0.000 1.338) 2.007 10.544 ( -0.670 0.000 -1.685) 1.814 10.619 ( 0.549 0.000 -12.242) 12.255 10.742 ( -0.010 0.000 0.206) 0.207 10.756 ( -2.871 0.000 0.703) 2.955 10.823 ( -2.107 0.000 0.134) 2.111 10.968 ( -2.007 0.000 -1.058) 2.269 11.040 ( 1.752 0.000 0.860) 1.952 11.081 ( -0.978 0.000 0.532) 1.113 11.365 ( 1.659 0.000 -0.811) 1.846 11.529 ( 1.692 0.000 -18.346) 18.424 11.642 ( 4.843 0.000 0.878) 4.922 11.773 ( 1.055 0.000 -3.915) 4.055 11.899 ( 1.005 0.000 -1.279) 1.627 11.983 ( 0.155 0.000 -0.450) 0.476 12.277 ( -2.245 0.000 -8.984) 9.260 12.286 ( 1.144 0.000 -0.207) 1.163 12.401 ( 3.355 0.000 -5.914) 6.800 12.418 ( -0.796 0.000 0.686) 1.051 13.613 ( 2.139 0.000 1.465) 2.593 13.655 ( -4.548 0.000 42.263) 42.507 13.707 ( -0.838 0.000 11.695) 11.725 13.818 ( 1.106 0.000 2.798) 3.009 14.043 ( 2.680 0.000 7.407) 7.877 14.423 ( -2.119 0.000 -1.837) 2.804 14.579 ( -1.643 0.000 -2.732) 3.188 14.655 ( 1.121 0.000 2.527) 2.765 22.213 ( 0.054 0.000 0.021) 0.058 22.241 ( 0.011 0.000 -0.010) 0.015 22.954 ( -0.349 0.000 -0.103) 0.364 22.983 ( -0.232 0.000 2.409) 2.420 23.170 ( 1.293 0.000 -0.068) 1.295 23.731 ( -1.491 0.000 -8.515) 8.644 23.781 ( -0.933 0.000 0.267) 0.971 23.905 ( 0.397 0.000 3.239) 3.263 23.910 ( -0.458 0.000 22.580) 22.584 24.138 ( 2.217 0.000 0.042) 2.217 24.164 ( 0.219 0.000 1.243) 1.262 24.211 ( -0.231 0.000 -0.225) 0.322 24.399 ( -0.597 0.000 -11.383) 11.399 24.440 ( -0.334 0.000 1.003) 1.057 24.444 ( 1.177 0.000 -4.607) 4.755 24.548 ( -1.072 0.000 -1.298) 1.683 24.672 ( -0.777 0.000 0.668) 1.024 24.796 ( 1.224 0.000 0.647) 1.384 24.949 ( -0.463 0.000 0.580) 0.742 25.345 ( 1.287 0.000 -2.161) 2.515 25.404 ( 0.046 0.000 0.027) 0.053 25.599 ( 0.885 0.000 -17.647) 17.669 25.872 ( -1.357 0.000 0.015) 1.357 26.743 ( -0.006 0.000 5.499) 5.499 27.198 ( 0.611 0.000 -2.905) 2.969 27.254 ( 0.900 0.000 0.376) 0.976 27.390 ( -0.854 0.000 -5.625) 5.689 27.394 ( -0.045 0.000 1.410) 1.411 27.603 ( -0.332 0.000 -1.941) 1.969 27.789 ( -1.349 0.000 0.033) 1.349 28.215 ( 0.072 0.000 -0.014) 0.073 28.307 ( -0.792 0.000 6.507) 6.555 ======================= Grid point 2 (3/64) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( 14.188 0.000 1.633) 14.281 0.866 ( 16.494 0.000 13.702) 21.443 1.012 ( 17.796 0.000 -3.902) 18.219 1.675 ( -0.165 0.000 10.967) 10.968 1.878 ( 2.800 0.000 -3.655) 4.604 1.901 ( 0.696 0.000 0.751) 1.024 2.020 ( 0.038 0.000 6.458) 6.458 2.039 ( -7.660 0.000 -5.596) 9.486 2.123 ( 6.678 0.000 -7.983) 10.408 2.151 ( -0.546 0.000 5.064) 5.093 2.328 ( -2.689 0.000 0.877) 2.828 2.357 ( -4.943 0.000 0.295) 4.952 2.392 ( -4.932 0.000 0.262) 4.939 2.549 ( -4.601 0.000 2.393) 5.186 2.560 ( -11.975 0.000 7.004) 13.873 2.673 ( 6.932 0.000 -1.857) 7.176 2.783 ( 2.834 0.000 3.180) 4.259 2.951 ( -4.191 0.000 -3.665) 5.568 2.999 ( 0.003 0.000 -0.197) 0.197 3.032 ( -2.797 0.000 3.095) 4.171 3.064 ( 6.510 0.000 1.481) 6.676 3.123 ( 3.221 0.000 -1.116) 3.409 3.139 ( 1.023 0.000 -2.542) 2.740 3.251 ( -0.213 0.000 -1.295) 1.312 3.340 ( 1.663 0.000 -2.125) 2.698 3.379 ( 2.236 0.000 -2.935) 3.690 3.386 ( 0.674 0.000 0.582) 0.891 3.444 ( -0.859 0.000 -5.645) 5.710 3.476 ( 3.485 0.000 4.396) 5.610 3.496 ( -1.839 0.000 -2.984) 3.505 3.647 ( -5.358 0.000 -4.145) 6.774 3.653 ( -0.720 0.000 0.770) 1.054 3.748 ( -7.666 0.000 -1.389) 7.790 3.825 ( 3.961 0.000 -7.796) 8.744 3.832 ( 0.553 0.000 0.825) 0.993 3.838 ( 1.220 0.000 1.026) 1.594 3.948 ( -2.037 0.000 -0.742) 2.168 4.058 ( 3.464 0.000 3.771) 5.121 4.171 ( -2.752 0.000 -1.414) 3.093 4.195 ( 1.129 0.000 -0.916) 1.454 4.208 ( 2.606 0.000 1.573) 3.044 4.221 ( -1.449 0.000 -5.695) 5.877 4.253 ( -0.504 0.000 -0.391) 0.638 4.326 ( -3.758 0.000 1.824) 4.177 4.363 ( 4.127 0.000 5.507) 6.882 4.415 ( -0.610 0.000 -1.594) 1.706 4.478 ( -1.147 0.000 1.321) 1.749 4.500 ( -2.334 0.000 -6.722) 7.116 4.508 ( 1.211 0.000 0.239) 1.234 4.542 ( -2.994 0.000 0.511) 3.037 4.687 ( 2.023 0.000 0.739) 2.154 4.713 ( -1.254 0.000 1.335) 1.832 4.887 ( 1.818 0.000 -0.450) 1.873 4.955 ( 3.831 0.000 -0.781) 3.910 5.017 ( 3.539 0.000 2.722) 4.464 5.037 ( 1.124 0.000 -0.643) 1.295 5.122 ( -0.407 0.000 -0.267) 0.487 5.207 ( 0.628 0.000 0.158) 0.648 5.305 ( 1.828 0.000 2.235) 2.887 5.354 ( -0.273 0.000 -0.355) 0.448 5.520 ( 4.527 0.000 1.587) 4.797 5.712 ( 0.026 0.000 1.272) 1.272 5.750 ( -0.266 0.000 -0.668) 0.718 6.066 ( -4.939 0.000 8.189) 9.563 6.346 ( 0.392 0.000 -4.445) 4.462 6.375 ( -0.350 0.000 4.900) 4.913 6.379 ( -0.596 0.000 4.170) 4.213 6.425 ( -2.886 0.000 -3.913) 4.862 6.767 ( -0.974 0.000 2.874) 3.035 6.869 ( -4.236 0.000 -3.238) 5.332 6.909 ( 0.516 0.000 0.331) 0.613 7.178 ( 1.062 0.000 -0.563) 1.202 8.642 ( -3.053 0.000 0.004) 3.053 8.645 ( -2.643 0.000 -0.235) 2.654 9.030 ( -2.111 0.000 0.436) 2.156 9.073 ( 1.735 0.000 -0.080) 1.737 9.100 ( 1.323 0.000 0.154) 1.332 9.199 ( -1.486 0.000 -0.808) 1.691 9.333 ( 0.045 0.000 0.380) 0.382 9.476 ( 1.699 0.000 -0.562) 1.789 10.053 ( -0.315 0.000 -0.112) 0.334 10.075 ( 0.182 0.000 0.760) 0.782 10.133 ( 0.720 0.000 -0.415) 0.831 10.255 ( -1.204 0.000 -1.352) 1.810 10.416 ( -1.511 0.000 -0.304) 1.541 10.503 ( -1.015 0.000 2.013) 2.254 10.536 ( -0.030 0.000 -0.703) 0.703 10.614 ( -0.588 0.000 -4.317) 4.357 10.723 ( -0.597 0.000 0.629) 0.867 10.744 ( 0.148 0.000 0.202) 0.250 10.780 ( -2.000 0.000 0.443) 2.049 10.917 ( -2.419 0.000 -1.635) 2.920 11.068 ( -0.344 0.000 0.319) 0.469 11.091 ( 2.566 0.000 1.075) 2.783 11.382 ( 0.239 0.000 -0.523) 0.575 11.544 ( 0.443 0.000 -6.506) 6.521 11.740 ( 4.520 0.000 0.799) 4.590 11.798 ( 1.428 0.000 -0.219) 1.445 11.918 ( 0.895 0.000 -1.014) 1.352 11.985 ( 0.026 0.000 -0.526) 0.527 12.240 ( -1.298 0.000 -2.692) 2.988 12.316 ( 2.007 0.000 -0.472) 2.062 12.395 ( -1.661 0.000 0.966) 1.921 12.453 ( 2.169 0.000 -2.356) 3.202 13.593 ( -2.975 0.000 13.249) 13.579 13.660 ( 2.393 0.000 1.647) 2.905 13.693 ( -0.736 0.000 1.884) 2.023 13.842 ( 1.077 0.000 3.042) 3.227 14.095 ( 2.054 0.000 5.206) 5.597 14.379 ( -1.913 0.000 -2.316) 3.004 14.540 ( -2.058 0.000 -2.696) 3.392 14.680 ( 1.144 0.000 1.026) 1.537 22.214 ( 0.056 0.000 0.022) 0.060 22.241 ( 0.011 0.000 -0.010) 0.015 22.947 ( -0.346 0.000 -0.103) 0.361 22.979 ( -0.193 0.000 0.867) 0.889 23.197 ( 1.289 0.000 -0.052) 1.290 23.698 ( -1.376 0.000 -2.914) 3.222 23.763 ( -0.859 0.000 0.252) 0.895 23.902 ( -0.447 0.000 7.205) 7.219 23.923 ( 0.629 0.000 0.954) 1.143 24.169 ( 0.194 0.000 1.178) 1.194 24.185 ( 2.347 0.000 -0.000) 2.347 24.206 ( -0.149 0.000 -0.148) 0.210 24.386 ( -0.389 0.000 -3.814) 3.834 24.431 ( -0.577 0.000 1.183) 1.316 24.461 ( 0.700 0.000 -1.607) 1.753 24.525 ( -1.075 0.000 -1.481) 1.830 24.659 ( -0.564 0.000 -0.108) 0.574 24.819 ( 1.004 0.000 0.475) 1.110 24.939 ( -0.513 0.000 0.407) 0.654 25.370 ( 1.289 0.000 -2.088) 2.454 25.405 ( 0.068 0.000 0.022) 0.072 25.608 ( 0.575 0.000 -6.060) 6.087 25.847 ( -1.038 0.000 0.160) 1.050 26.734 ( -1.143 0.000 5.118) 5.244 27.228 ( 2.644 0.000 -2.839) 3.880 27.278 ( 1.415 0.000 0.703) 1.580 27.365 ( -1.461 0.000 -2.465) 2.865 27.381 ( -1.454 0.000 1.637) 2.190 27.596 ( -0.169 0.000 -1.970) 1.977 27.762 ( -1.305 0.000 0.067) 1.307 28.217 ( 0.138 0.000 -0.038) 0.143 28.293 ( -0.746 0.000 2.176) 2.300 ======================= Grid point 3 (4/64) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( 0.000 0.000 0.000) 0.000 1.040 ( 0.000 0.000 0.000) 0.000 1.188 ( 0.000 0.000 0.000) 0.000 1.675 ( 0.000 0.000 0.000) 0.000 1.899 ( 0.000 0.000 -0.000) 0.000 1.914 ( 0.000 0.000 -0.000) 0.000 1.950 ( -0.000 0.000 -0.000) 0.000 2.026 ( 0.000 0.000 -0.000) 0.000 2.160 ( 0.000 0.000 0.000) 0.000 2.225 ( 0.000 0.000 -0.000) 0.000 2.294 ( 0.000 0.000 0.000) 0.000 2.303 ( 0.000 0.000 0.000) 0.000 2.340 ( 0.000 0.000 -0.000) 0.000 2.389 ( 0.000 0.000 0.000) 0.000 2.491 ( 0.000 0.000 -0.000) 0.000 2.723 ( 0.000 0.000 0.000) 0.000 2.861 ( 0.000 0.000 0.000) 0.000 2.879 ( 0.000 0.000 -0.000) 0.000 2.997 ( 0.000 0.000 0.000) 0.000 3.019 ( 0.000 0.000 0.000) 0.000 3.126 ( 0.000 0.000 -0.000) 0.000 3.166 ( 0.000 0.000 -0.000) 0.000 3.215 ( -0.000 0.000 -0.000) 0.000 3.216 ( 0.000 0.000 -0.000) 0.000 3.349 ( 0.000 0.000 0.000) 0.000 3.410 ( 0.000 0.000 0.000) 0.000 3.417 ( -0.000 0.000 -0.000) 0.000 3.425 ( 0.000 0.000 0.000) 0.000 3.436 ( 0.000 0.000 -0.000) 0.000 3.551 ( -0.000 0.000 -0.000) 0.000 3.565 ( 0.000 0.000 0.000) 0.000 3.594 ( 0.000 0.000 -0.000) 0.000 3.691 ( 0.000 0.000 0.000) 0.000 3.838 ( 0.000 0.000 0.000) 0.000 3.854 ( 0.000 0.000 0.000) 0.000 3.869 ( 0.000 0.000 -0.000) 0.000 3.925 ( 0.000 0.000 -0.000) 0.000 4.100 ( 0.000 0.000 0.000) 0.000 4.130 ( 0.000 0.000 0.000) 0.000 4.200 ( 0.000 0.000 -0.000) 0.000 4.228 ( 0.000 0.000 -0.000) 0.000 4.239 ( -0.000 0.000 0.000) 0.000 4.247 ( 0.000 0.000 -0.000) 0.000 4.261 ( 0.000 0.000 -0.000) 0.000 4.406 ( 0.000 0.000 -0.000) 0.000 4.436 ( -0.000 0.000 -0.000) 0.000 4.450 ( 0.000 0.000 0.000) 0.000 4.464 ( 0.000 0.000 0.000) 0.000 4.514 ( 0.000 0.000 0.000) 0.000 4.525 ( 0.000 0.000 -0.000) 0.000 4.698 ( 0.000 0.000 -0.000) 0.000 4.713 ( 0.000 0.000 -0.000) 0.000 4.905 ( 0.000 0.000 -0.000) 0.000 4.996 ( 0.000 0.000 -0.000) 0.000 5.049 ( 0.000 0.000 0.000) 0.000 5.054 ( 0.000 0.000 -0.000) 0.000 5.118 ( 0.000 0.000 -0.000) 0.000 5.210 ( 0.000 0.000 -0.000) 0.000 5.326 ( 0.000 0.000 0.000) 0.000 5.348 ( 0.000 0.000 -0.000) 0.000 5.572 ( 0.000 0.000 -0.000) 0.000 5.713 ( 0.000 0.000 0.000) 0.000 5.746 ( 0.000 0.000 -0.000) 0.000 6.013 ( 0.000 0.000 0.000) 0.000 6.353 ( 0.000 0.000 -0.000) 0.000 6.370 ( 0.000 0.000 0.000) 0.000 6.378 ( 0.000 0.000 -0.000) 0.000 6.389 ( 0.000 0.000 0.000) 0.000 6.762 ( 0.000 0.000 -0.000) 0.000 6.820 ( 0.000 0.000 0.000) 0.000 6.915 ( 0.000 0.000 -0.000) 0.000 7.189 ( 0.000 0.000 -0.000) 0.000 8.611 ( 0.000 0.000 -0.000) 0.000 8.618 ( 0.000 0.000 -0.000) 0.000 9.008 ( 0.000 0.000 0.000) 0.000 9.090 ( 0.000 0.000 0.000) 0.000 9.112 ( 0.000 0.000 -0.000) 0.000 9.184 ( 0.000 0.000 0.000) 0.000 9.332 ( 0.000 0.000 -0.000) 0.000 9.493 ( 0.000 0.000 -0.000) 0.000 10.050 ( 0.000 0.000 0.000) 0.000 10.077 ( 0.000 0.000 0.000) 0.000 10.140 ( 0.000 0.000 -0.000) 0.000 10.243 ( 0.000 0.000 0.000) 0.000 10.396 ( -0.000 0.000 -0.000) 0.000 10.494 ( 0.000 0.000 0.000) 0.000 10.538 ( 0.000 0.000 -0.000) 0.000 10.604 ( 0.000 0.000 0.000) 0.000 10.721 ( 0.000 0.000 -0.000) 0.000 10.746 ( 0.000 0.000 0.000) 0.000 10.760 ( 0.000 0.000 -0.000) 0.000 10.892 ( 0.000 0.000 0.000) 0.000 11.066 ( 0.000 0.000 -0.000) 0.000 11.118 ( 0.000 0.000 0.000) 0.000 11.382 ( 0.000 0.000 -0.000) 0.000 11.545 ( 0.000 0.000 0.000) 0.000 11.787 ( 0.000 0.000 0.000) 0.000 11.814 ( 0.000 0.000 -0.000) 0.000 11.927 ( 0.000 0.000 -0.000) 0.000 11.985 ( 0.000 0.000 -0.000) 0.000 12.227 ( 0.000 0.000 -0.000) 0.000 12.353 ( 0.000 0.000 0.000) 0.000 12.362 ( 0.000 0.000 0.000) 0.000 12.474 ( 0.000 0.000 -0.000) 0.000 13.567 ( 0.000 0.000 -0.000) 0.000 13.686 ( 0.000 0.000 0.000) 0.000 13.687 ( 0.000 0.000 0.000) 0.000 13.854 ( 0.000 0.000 0.000) 0.000 14.116 ( 0.000 0.000 0.000) 0.000 14.360 ( 0.000 0.000 -0.000) 0.000 14.516 ( 0.000 0.000 0.000) 0.000 14.692 ( 0.000 0.000 -0.000) 0.000 22.214 ( 0.000 0.000 0.000) 0.000 22.241 ( 0.000 0.000 0.000) 0.000 22.943 ( 0.000 0.000 -0.000) 0.000 22.978 ( 0.000 0.000 -0.000) 0.000 23.210 ( 0.000 0.000 0.000) 0.000 23.683 ( 0.000 0.000 0.000) 0.000 23.754 ( 0.000 0.000 0.000) 0.000 23.899 ( 0.000 0.000 -0.000) 0.000 23.929 ( 0.000 0.000 0.000) 0.000 24.172 ( 0.000 0.000 -0.000) 0.000 24.205 ( 0.000 0.000 -0.000) 0.000 24.211 ( 0.000 0.000 0.000) 0.000 24.381 ( 0.000 0.000 -0.000) 0.000 24.425 ( 0.000 0.000 0.000) 0.000 24.467 ( 0.000 0.000 -0.000) 0.000 24.513 ( 0.000 0.000 -0.000) 0.000 24.653 ( 0.000 0.000 -0.000) 0.000 24.829 ( 0.000 0.000 -0.000) 0.000 24.934 ( 0.000 0.000 -0.000) 0.000 25.383 ( 0.000 0.000 -0.000) 0.000 25.406 ( 0.000 0.000 -0.000) 0.000 25.612 ( 0.000 0.000 -0.000) 0.000 25.837 ( 0.000 0.000 -0.000) 0.000 26.721 ( 0.000 0.000 -0.000) 0.000 27.265 ( 0.000 0.000 0.000) 0.000 27.297 ( 0.000 0.000 -0.000) 0.000 27.344 ( 0.000 0.000 -0.000) 0.000 27.358 ( 0.000 0.000 -0.000) 0.000 27.595 ( 0.000 0.000 0.000) 0.000 27.748 ( 0.000 0.000 0.000) 0.000 28.219 ( 0.000 0.000 0.000) 0.000 28.286 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 7 (5/64) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.421 ( 0.000 21.936 0.000) 21.936 0.482 ( 0.000 24.667 0.000) 24.667 0.889 ( 0.000 43.837 0.000) 43.837 1.783 ( 0.000 -4.129 0.000) 4.129 1.838 ( 0.000 2.615 0.000) 2.615 1.842 ( 0.000 5.193 0.000) 5.193 1.987 ( 0.000 -1.706 0.000) 1.706 2.075 ( 0.000 2.107 0.000) 2.107 2.138 ( 0.000 10.244 0.000) 10.244 2.263 ( 0.000 -8.248 0.000) 8.248 2.382 ( 0.000 4.371 0.000) 4.371 2.406 ( 0.000 -2.265 0.000) 2.265 2.475 ( 0.000 7.618 0.000) 7.618 2.486 ( 0.000 2.222 0.000) 2.222 2.704 ( 0.000 -2.133 0.000) 2.133 2.805 ( 0.000 0.406 0.000) 0.406 2.883 ( 0.000 -1.459 0.000) 1.459 2.926 ( 0.000 1.086 0.000) 1.086 2.951 ( 0.000 3.851 0.000) 3.851 3.078 ( 0.000 -0.208 0.000) 0.208 3.079 ( 0.000 0.615 0.000) 0.615 3.090 ( 0.000 0.775 0.000) 0.775 3.186 ( 0.000 -3.346 0.000) 3.346 3.234 ( 0.000 1.474 0.000) 1.474 3.312 ( 0.000 -0.989 0.000) 0.989 3.320 ( 0.000 1.967 0.000) 1.967 3.329 ( 0.000 -3.572 0.000) 3.572 3.406 ( 0.000 1.281 0.000) 1.281 3.413 ( 0.000 -0.546 0.000) 0.546 3.426 ( 0.000 -1.672 0.000) 1.672 3.576 ( 0.000 -0.352 0.000) 0.352 3.622 ( 0.000 -3.107 0.000) 3.107 3.713 ( 0.000 -2.397 0.000) 2.397 3.760 ( 0.000 -0.408 0.000) 0.408 3.838 ( 0.000 -5.636 0.000) 5.636 3.938 ( 0.000 1.733 0.000) 1.733 4.020 ( 0.000 -0.676 0.000) 0.676 4.038 ( 0.000 1.834 0.000) 1.834 4.039 ( 0.000 -1.218 0.000) 1.218 4.144 ( 0.000 -2.030 0.000) 2.030 4.236 ( 0.000 6.583 0.000) 6.583 4.249 ( 0.000 0.422 0.000) 0.422 4.285 ( 0.000 -5.105 0.000) 5.105 4.296 ( 0.000 0.877 0.000) 0.877 4.393 ( 0.000 -0.060 0.000) 0.060 4.423 ( 0.000 -0.419 0.000) 0.419 4.475 ( 0.000 2.238 0.000) 2.238 4.542 ( 0.000 -0.229 0.000) 0.229 4.599 ( 0.000 -4.905 0.000) 4.905 4.634 ( 0.000 -2.027 0.000) 2.027 4.726 ( 0.000 -2.554 0.000) 2.554 4.797 ( 0.000 -0.092 0.000) 0.092 4.876 ( 0.000 1.482 0.000) 1.482 4.915 ( 0.000 -1.893 0.000) 1.893 4.934 ( 0.000 3.776 0.000) 3.776 5.108 ( 0.000 -1.316 0.000) 1.316 5.163 ( 0.000 1.496 0.000) 1.496 5.216 ( 0.000 -1.705 0.000) 1.705 5.295 ( 0.000 2.360 0.000) 2.360 5.361 ( 0.000 1.029 0.000) 1.029 5.423 ( 0.000 1.836 0.000) 1.836 5.605 ( 0.000 -4.590 0.000) 4.590 5.830 ( 0.000 4.681 0.000) 4.681 5.911 ( 0.000 -0.124 0.000) 0.124 6.277 ( 0.000 -3.372 0.000) 3.372 6.417 ( 0.000 1.018 0.000) 1.018 6.493 ( 0.000 -1.641 0.000) 1.641 6.518 ( 0.000 7.027 0.000) 7.027 6.849 ( 0.000 -0.685 0.000) 0.685 6.934 ( 0.000 3.274 0.000) 3.274 6.967 ( 0.000 -2.238 0.000) 2.238 7.083 ( 0.000 0.369 0.000) 0.369 8.750 ( 0.000 -0.311 0.000) 0.311 8.794 ( 0.000 -0.087 0.000) 0.087 9.001 ( 0.000 -0.162 0.000) 0.162 9.059 ( 0.000 0.528 0.000) 0.528 9.093 ( 0.000 -0.568 0.000) 0.568 9.280 ( 0.000 -1.905 0.000) 1.905 9.359 ( 0.000 1.567 0.000) 1.567 9.396 ( 0.000 -1.357 0.000) 1.357 10.056 ( 0.000 1.329 0.000) 1.329 10.108 ( 0.000 0.638 0.000) 0.638 10.129 ( 0.000 0.527 0.000) 0.527 10.243 ( 0.000 -4.978 0.000) 4.978 10.418 ( 0.000 -1.274 0.000) 1.274 10.489 ( 0.000 1.444 0.000) 1.444 10.543 ( 0.000 -1.097 0.000) 1.097 10.565 ( 0.000 2.754 0.000) 2.754 10.765 ( 0.000 -3.521 0.000) 3.521 10.802 ( 0.000 5.589 0.000) 5.589 11.016 ( 0.000 3.399 0.000) 3.399 11.047 ( 0.000 -3.283 0.000) 3.283 11.059 ( 0.000 2.522 0.000) 2.522 11.167 ( 0.000 2.550 0.000) 2.550 11.333 ( 0.000 4.525 0.000) 4.525 11.548 ( 0.000 1.104 0.000) 1.104 11.682 ( 0.000 -2.192 0.000) 2.192 11.711 ( 0.000 -2.128 0.000) 2.128 11.873 ( 0.000 -1.745 0.000) 1.745 11.957 ( 0.000 -2.522 0.000) 2.522 12.258 ( 0.000 -0.058 0.000) 0.058 12.329 ( 0.000 -1.738 0.000) 1.738 12.430 ( 0.000 0.445 0.000) 0.445 12.453 ( 0.000 1.065 0.000) 1.065 13.215 ( 0.000 2.362 0.000) 2.362 13.611 ( 0.000 -1.564 0.000) 1.564 13.713 ( 0.000 0.863 0.000) 0.863 13.803 ( 0.000 -0.260 0.000) 0.260 14.012 ( 0.000 0.373 0.000) 0.373 14.404 ( 0.000 -4.128 0.000) 4.128 14.605 ( 0.000 -0.646 0.000) 0.646 14.645 ( 0.000 -1.106 0.000) 1.106 22.301 ( 0.000 6.004 0.000) 6.004 22.902 ( 0.000 -3.286 0.000) 3.286 22.912 ( 0.000 -0.246 0.000) 0.246 23.009 ( 0.000 1.703 0.000) 1.703 23.416 ( 0.000 5.168 0.000) 5.168 23.803 ( 0.000 1.123 0.000) 1.123 23.828 ( 0.000 -3.812 0.000) 3.812 23.829 ( 0.000 -0.456 0.000) 0.456 23.941 ( 0.000 1.260 0.000) 1.260 24.128 ( 0.000 -2.134 0.000) 2.134 24.190 ( 0.000 -1.490 0.000) 1.490 24.272 ( 0.000 1.702 0.000) 1.702 24.387 ( 0.000 2.941 0.000) 2.941 24.420 ( 0.000 -0.654 0.000) 0.654 24.555 ( 0.000 -0.419 0.000) 0.419 24.608 ( 0.000 -0.098 0.000) 0.098 24.681 ( 0.000 0.118 0.000) 0.118 24.775 ( 0.000 -0.671 0.000) 0.671 25.057 ( 0.000 -0.111 0.000) 0.111 25.304 ( 0.000 -2.664 0.000) 2.664 25.418 ( 0.000 1.445 0.000) 1.445 25.537 ( 0.000 0.220 0.000) 0.220 25.948 ( 0.000 6.125 0.000) 6.125 26.879 ( 0.000 -4.806 0.000) 4.806 27.186 ( 0.000 -0.797 0.000) 0.797 27.198 ( 0.000 -1.356 0.000) 1.356 27.275 ( 0.000 1.810 0.000) 1.810 27.395 ( 0.000 0.095 0.000) 0.095 27.558 ( 0.000 1.786 0.000) 1.786 27.631 ( 0.000 2.569 0.000) 2.569 27.924 ( 0.000 -2.491 0.000) 2.491 28.180 ( 0.000 -3.458 0.000) 3.458 ======================= Grid point 8 (6/64) ======================= q-point: ( 0.17 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.610 ( 15.336 12.438 -1.920) 19.839 0.666 ( 16.055 17.469 14.721) 27.922 0.980 ( 8.529 37.253 -1.286) 38.239 1.717 ( -3.017 0.579 7.601) 8.199 1.859 ( 1.589 0.857 0.005) 1.806 1.883 ( 4.069 4.554 0.409) 6.120 2.026 ( 1.692 -1.368 3.640) 4.240 2.062 ( -0.838 2.218 1.448) 2.779 2.169 ( 0.099 8.279 -7.874) 11.426 2.280 ( 2.039 -2.986 2.236) 4.251 2.343 ( -3.143 1.235 1.822) 3.837 2.403 ( -0.930 -1.266 3.129) 3.501 2.476 ( 2.329 1.318 -0.330) 2.696 2.507 ( 0.136 6.321 2.338) 6.741 2.650 ( -5.149 -0.699 5.631) 7.662 2.800 ( -5.467 2.159 2.118) 6.247 2.838 ( -0.341 -4.137 -1.696) 4.484 2.855 ( -5.188 3.188 -0.317) 6.097 2.986 ( 3.043 -0.246 -4.259) 5.240 3.071 ( -1.067 -0.502 1.006) 1.550 3.091 ( 1.731 1.188 -0.081) 2.102 3.114 ( -4.154 -0.509 -3.991) 5.783 3.140 ( 0.098 0.481 0.470) 0.680 3.222 ( 0.892 -2.868 -3.996) 4.999 3.263 ( -1.919 -3.034 -1.627) 3.942 3.324 ( -0.509 -1.386 -0.441) 1.541 3.362 ( 1.435 -3.094 0.100) 3.412 3.409 ( 3.262 2.610 -0.847) 4.262 3.438 ( 1.597 -1.520 -0.050) 2.206 3.514 ( 2.578 0.069 -5.156) 5.766 3.615 ( 1.597 -1.515 -0.040) 2.202 3.637 ( 3.096 -2.982 0.613) 4.342 3.706 ( 1.403 -1.475 -5.810) 6.156 3.811 ( -1.151 -3.781 -0.147) 3.955 3.823 ( 2.525 -1.105 0.090) 2.758 3.901 ( -2.314 -0.843 0.001) 2.463 3.958 ( -2.806 6.046 -0.967) 6.735 4.064 ( 2.081 -4.095 0.977) 4.696 4.123 ( 4.148 -0.366 11.129) 11.883 4.173 ( 1.575 -1.080 -6.920) 7.179 4.219 ( -2.365 -0.075 -3.141) 3.932 4.245 ( 1.117 4.939 2.721) 5.749 4.276 ( -0.912 -0.434 -2.312) 2.523 4.295 ( 0.390 -3.038 -0.753) 3.154 4.360 ( -3.071 1.061 0.197) 3.255 4.443 ( 2.005 -0.097 2.574) 3.264 4.476 ( -0.266 -0.260 -1.049) 1.113 4.507 ( -3.127 0.982 -3.238) 4.607 4.565 ( -3.420 -1.917 0.406) 3.941 4.624 ( -1.097 -1.562 0.549) 1.986 4.710 ( -0.560 -2.051 -1.131) 2.408 4.793 ( -6.096 4.313 -10.247) 12.680 4.862 ( 0.525 2.628 2.409) 3.603 4.883 ( 1.970 0.340 -3.850) 4.338 4.970 ( 2.800 1.947 3.644) 4.991 5.076 ( -2.939 3.728 3.862) 6.119 5.120 ( -1.915 1.643 2.184) 3.337 5.197 ( 2.749 1.377 -0.254) 3.085 5.294 ( 0.251 -2.277 -1.352) 2.660 5.306 ( 1.163 1.286 2.560) 3.092 5.413 ( 1.083 -1.474 1.301) 2.245 5.720 ( 2.656 -2.657 -3.490) 5.127 5.798 ( -1.294 5.011 4.852) 7.095 6.023 ( 3.911 -6.463 12.166) 14.321 6.266 ( -0.976 -3.546 -0.298) 3.690 6.411 ( -0.534 1.960 1.538) 2.548 6.466 ( -2.488 -0.893 0.672) 2.727 6.519 ( 0.068 6.839 -1.513) 7.004 6.808 ( -2.743 0.648 2.432) 3.723 6.933 ( -0.054 2.703 -0.118) 2.706 6.944 ( -2.795 -0.915 -1.333) 3.229 7.105 ( 1.748 -2.307 -1.361) 3.198 8.696 ( -4.018 0.170 1.047) 4.156 8.772 ( -3.040 2.836 -0.955) 4.265 8.990 ( -0.224 -3.142 -0.485) 3.187 9.054 ( -1.441 -0.989 -0.700) 1.883 9.093 ( 1.490 1.180 1.034) 2.164 9.243 ( -3.032 -1.214 -0.743) 3.350 9.361 ( 0.752 2.303 1.322) 2.760 9.422 ( 1.888 -0.702 -0.310) 2.038 10.057 ( 0.125 0.937 0.239) 0.975 10.095 ( -0.839 1.314 -0.118) 1.563 10.140 ( 1.064 1.218 0.010) 1.617 10.256 ( -0.358 -3.894 -2.055) 4.418 10.390 ( -0.385 -1.435 0.206) 1.500 10.482 ( -1.561 -1.271 -0.803) 2.167 10.553 ( 0.328 -0.348 0.220) 0.526 10.585 ( 1.060 0.193 -1.824) 2.119 10.768 ( 0.264 -2.476 -0.541) 2.549 10.796 ( -0.631 4.938 0.207) 4.983 10.877 ( -7.486 4.986 1.799) 9.173 10.999 ( -2.136 2.560 -0.517) 3.374 11.058 ( -0.853 -1.221 0.735) 1.661 11.201 ( -2.713 8.667 -0.897) 9.126 11.346 ( 3.457 -0.216 -1.104) 3.636 11.544 ( 0.024 1.564 -7.827) 7.982 11.662 ( 3.527 0.002 -0.420) 3.552 11.769 ( 1.963 -0.818 -4.012) 4.541 11.875 ( 0.592 -2.254 0.378) 2.361 11.963 ( 0.388 -2.354 0.237) 2.397 12.262 ( 0.369 -0.869 -1.972) 2.186 12.280 ( -2.328 -0.887 -2.975) 3.881 12.431 ( -0.952 1.805 -2.211) 3.009 12.445 ( 1.674 2.453 -4.137) 5.092 13.429 ( 9.407 -9.728 26.344) 29.616 13.619 ( 0.493 -1.924 5.004) 5.384 13.712 ( -0.035 1.004 0.450) 1.101 13.815 ( 1.007 -0.377 2.415) 2.643 14.025 ( 1.548 -0.430 -0.082) 1.609 14.386 ( -1.774 -3.881 -1.547) 4.539 14.596 ( -0.999 0.323 -0.533) 1.178 14.656 ( 1.041 -0.370 0.747) 1.334 22.300 ( -0.051 5.959 0.003) 5.959 22.680 ( -16.858 19.759 -1.233) 26.003 22.915 ( -0.377 -2.732 0.754) 2.859 23.009 ( -0.142 1.455 0.424) 1.522 23.257 ( -5.853 9.361 0.352) 11.046 23.706 ( -3.078 -0.746 -0.381) 3.190 23.791 ( -1.480 -0.113 -3.120) 3.455 23.891 ( 1.289 -1.693 5.965) 6.333 23.955 ( -0.347 2.629 2.629) 3.735 24.087 ( -1.625 -2.357 6.135) 6.770 24.192 ( 0.413 -0.781 0.071) 0.886 24.234 ( 0.163 3.354 0.697) 3.430 24.407 ( 0.459 1.153 -4.667) 4.829 24.429 ( 0.911 -0.292 0.101) 0.962 24.512 ( -3.780 3.889 -3.940) 6.704 24.545 ( -0.943 -0.285 -1.218) 1.567 24.673 ( -0.743 0.166 0.700) 1.034 24.787 ( 1.067 -0.859 0.410) 1.430 24.984 ( -2.089 2.853 0.765) 3.618 25.328 ( 1.448 -2.158 -2.784) 3.808 25.414 ( -0.021 1.207 -0.642) 1.367 25.574 ( 1.760 -1.660 -10.476) 10.752 25.937 ( -1.388 6.358 0.827) 6.560 26.743 ( -3.676 -1.049 3.593) 5.246 27.173 ( 1.036 -1.584 -1.635) 2.502 27.280 ( 0.643 1.760 -0.319) 1.900 27.355 ( 1.800 -3.336 -4.455) 5.850 27.395 ( -0.613 -0.261 0.749) 1.003 27.623 ( -0.126 1.967 -1.182) 2.298 27.722 ( 4.298 -4.965 3.039) 7.236 28.055 ( 10.170 -12.412 4.018) 16.542 28.181 ( 0.069 -3.597 -0.073) 3.599 ======================= Grid point 9 (7/64) ======================= q-point: ( 0.33 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( 14.410 6.049 -2.224) 15.786 0.983 ( 14.319 11.612 14.624) 23.531 1.134 ( 5.751 24.025 -2.382) 24.818 1.714 ( 1.046 4.037 9.584) 10.452 1.877 ( 1.111 -0.493 -2.917) 3.160 1.972 ( 3.848 4.329 -0.495) 5.814 2.043 ( 0.981 3.890 0.129) 4.014 2.077 ( 1.709 0.448 -0.457) 1.825 2.156 ( -0.762 6.760 1.272) 6.921 2.236 ( -1.937 7.050 -1.847) 7.541 2.324 ( -1.840 -3.164 1.951) 4.148 2.344 ( -5.456 -1.248 2.211) 6.017 2.464 ( -3.260 6.661 1.931) 7.663 2.497 ( -4.687 0.444 2.967) 5.565 2.588 ( -1.709 -1.497 2.032) 3.048 2.660 ( -5.752 1.836 -2.950) 6.720 2.799 ( 1.237 1.015 3.256) 3.627 2.865 ( 0.817 -5.607 -2.230) 6.089 2.998 ( -1.252 -1.214 -1.344) 2.202 3.023 ( -2.398 -1.285 1.295) 3.014 3.077 ( 2.780 -0.839 0.461) 2.941 3.141 ( 2.148 2.625 0.457) 3.422 3.151 ( 1.582 1.397 -1.023) 2.345 3.246 ( 0.890 -1.794 -1.111) 2.290 3.304 ( 4.331 -4.661 -3.317) 7.176 3.345 ( 2.901 -1.275 -1.789) 3.639 3.394 ( 1.302 -0.131 0.631) 1.453 3.437 ( 1.292 3.206 -2.222) 4.109 3.462 ( -0.115 -2.552 -0.569) 2.617 3.493 ( -2.426 -1.271 -2.022) 3.405 3.599 ( -2.383 -0.549 -2.624) 3.587 3.650 ( -5.809 -1.841 0.265) 6.100 3.760 ( 1.864 -4.989 -0.962) 5.412 3.770 ( 2.091 -3.818 -3.304) 5.465 3.840 ( -0.622 4.605 -0.922) 4.738 3.907 ( -1.990 5.689 -0.378) 6.039 3.923 ( 1.885 -1.153 0.247) 2.223 4.096 ( 0.947 -6.021 0.177) 6.097 4.138 ( -1.448 3.182 1.579) 3.836 4.192 ( -0.453 2.526 -2.275) 3.429 4.214 ( 3.077 -1.130 3.547) 4.830 4.247 ( -2.060 0.841 -4.013) 4.589 4.266 ( -0.306 -1.117 -1.628) 1.998 4.308 ( -1.318 1.790 0.398) 2.258 4.329 ( 2.598 -2.949 3.754) 5.435 4.438 ( -2.035 -0.734 -3.947) 4.501 4.464 ( -0.534 2.178 0.480) 2.294 4.498 ( 1.649 -0.678 1.610) 2.402 4.507 ( -1.761 0.612 -0.308) 1.889 4.581 ( -3.738 1.347 -2.714) 4.812 4.688 ( -0.369 -0.396 -0.364) 0.652 4.721 ( -0.919 1.871 -0.978) 2.303 4.882 ( 1.062 -0.536 0.979) 1.541 4.949 ( 3.521 -0.734 -0.214) 3.603 5.029 ( 2.908 0.999 0.929) 3.212 5.068 ( 0.632 2.211 2.229) 3.202 5.104 ( -0.487 -0.469 0.057) 0.678 5.243 ( 1.684 2.953 -0.481) 3.433 5.302 ( 0.265 -3.489 -0.482) 3.532 5.332 ( 1.100 0.921 1.630) 2.172 5.449 ( 2.388 -3.856 1.720) 4.851 5.730 ( -0.550 -2.083 -0.819) 2.304 5.792 ( 0.189 5.057 1.516) 5.283 6.035 ( -1.605 -2.678 5.856) 6.637 6.248 ( -0.719 -4.142 0.044) 4.204 6.393 ( -1.866 -0.075 0.442) 1.920 6.424 ( -1.129 1.961 0.110) 2.266 6.519 ( 0.016 7.282 -0.647) 7.310 6.771 ( -1.238 0.240 2.697) 2.977 6.869 ( -4.020 -0.262 -2.631) 4.811 6.940 ( 0.448 2.983 0.332) 3.035 7.132 ( 1.045 -3.670 -0.315) 3.828 8.635 ( -2.154 0.548 0.649) 2.316 8.697 ( -3.859 3.519 -0.622) 5.259 8.978 ( -1.118 -4.302 0.409) 4.463 9.057 ( 1.535 -0.884 -1.154) 2.114 9.110 ( 0.136 -0.168 0.609) 0.646 9.192 ( -2.095 -1.214 -0.290) 2.438 9.380 ( 0.871 3.447 0.563) 3.599 9.450 ( 0.999 -1.531 -0.069) 1.830 10.061 ( 0.332 0.621 0.745) 1.025 10.083 ( -0.549 1.695 -0.572) 1.872 10.161 ( 1.061 1.617 -0.487) 1.994 10.232 ( -1.418 -1.658 -0.938) 2.374 10.400 ( 0.514 -2.168 -0.105) 2.230 10.447 ( -1.469 -2.077 0.685) 2.635 10.553 ( -0.003 -0.104 -0.211) 0.235 10.587 ( -0.506 -1.393 -1.424) 2.056 10.758 ( -1.392 1.735 -0.266) 2.240 10.781 ( -0.674 2.222 0.706) 2.427 10.813 ( -0.383 4.862 -0.220) 4.882 10.941 ( -3.110 1.966 -1.008) 3.815 11.053 ( 0.133 -0.847 0.206) 0.881 11.161 ( -0.822 5.442 0.988) 5.591 11.392 ( 1.172 1.222 -0.328) 1.724 11.550 ( 0.610 0.546 -5.310) 5.373 11.749 ( 4.220 0.359 0.738) 4.299 11.796 ( 1.190 -0.033 -0.549) 1.311 11.890 ( 0.755 -2.833 -0.504) 2.975 11.969 ( 0.192 -2.066 -0.277) 2.093 12.238 ( -1.207 -0.233 -2.170) 2.494 12.293 ( 1.843 -2.401 0.357) 3.048 12.404 ( -1.654 2.066 -1.295) 2.947 12.479 ( 1.593 1.801 -1.404) 2.784 13.521 ( 0.976 -5.759 11.149) 12.586 13.632 ( 0.640 -2.495 2.548) 3.623 13.716 ( 0.509 1.683 0.703) 1.893 13.838 ( 1.034 -0.495 2.850) 3.072 14.059 ( 1.561 -2.327 0.977) 2.968 14.345 ( -2.106 -3.648 -1.840) 4.596 14.574 ( -1.002 2.517 -1.211) 2.968 14.678 ( 1.042 -0.253 0.730) 1.297 22.299 ( -0.063 5.879 0.003) 5.879 22.465 ( -6.099 19.945 -0.220) 20.858 22.907 ( -0.405 -2.938 0.202) 2.973 23.005 ( -0.213 1.420 0.264) 1.460 23.223 ( 0.153 3.343 0.154) 3.350 23.671 ( -1.136 -1.474 -0.557) 1.943 23.762 ( -1.262 -0.270 -1.218) 1.775 23.908 ( 0.268 -0.717 6.072) 6.120 23.937 ( -0.816 1.740 -1.735) 2.589 24.088 ( 0.560 -4.425 1.954) 4.870 24.206 ( 0.785 0.395 0.266) 0.919 24.255 ( 1.429 3.082 0.318) 3.412 24.405 ( -0.228 1.529 -2.460) 2.906 24.442 ( 0.308 0.068 0.537) 0.623 24.469 ( -1.222 1.629 -1.397) 2.469 24.525 ( -0.914 0.020 -1.141) 1.462 24.660 ( -0.550 0.215 -0.030) 0.592 24.807 ( 0.839 -1.165 0.434) 1.500 24.965 ( -0.501 2.456 0.315) 2.526 25.353 ( 1.182 -2.057 -2.082) 3.157 25.415 ( 0.091 1.089 -0.456) 1.185 25.593 ( 0.769 -1.277 -4.626) 4.860 25.909 ( -1.277 6.197 0.418) 6.341 26.702 ( -1.608 -3.199 4.155) 5.485 27.208 ( 2.568 -1.361 -1.703) 3.369 27.299 ( 1.276 1.461 -0.011) 1.940 27.355 ( -1.052 -1.067 -2.426) 2.851 27.373 ( -1.446 -0.807 1.312) 2.112 27.618 ( -0.158 2.200 -1.506) 2.671 27.740 ( -0.437 -1.863 0.718) 2.044 28.167 ( 1.686 -7.117 1.406) 7.448 28.189 ( 1.223 -6.549 0.509) 6.681 ======================= Grid point 10 (8/64) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( 0.000 -5.534 -0.000) 5.534 1.148 ( 0.000 9.414 0.000) 9.414 1.151 ( -0.000 28.013 -0.000) 28.013 1.718 ( 0.000 3.581 0.000) 3.581 1.918 ( 0.000 2.879 -0.000) 2.879 2.004 ( 0.000 5.455 -0.000) 5.455 2.063 ( 0.000 5.851 -0.000) 5.851 2.079 ( -0.000 5.192 -0.000) 5.192 2.129 ( 0.000 -0.387 0.000) 0.387 2.255 ( -0.000 -5.170 0.000) 5.170 2.258 ( 0.000 6.450 -0.000) 6.450 2.332 ( 0.000 -1.777 -0.000) 1.777 2.379 ( 0.000 5.043 0.000) 5.043 2.464 ( 0.000 12.363 -0.000) 12.363 2.515 ( 0.000 0.621 0.000) 0.621 2.630 ( 0.000 -7.014 0.000) 7.014 2.813 ( 0.000 -4.205 0.000) 4.205 2.899 ( 0.000 0.631 0.000) 0.631 2.977 ( 0.000 -1.917 -0.000) 1.917 2.998 ( 0.000 -2.472 0.000) 2.472 3.099 ( 0.000 -1.851 -0.000) 1.851 3.176 ( 0.000 2.938 -0.000) 2.938 3.201 ( 0.000 -1.242 -0.000) 1.242 3.268 ( 0.000 1.476 0.000) 1.476 3.356 ( -0.000 -0.573 0.000) 0.573 3.380 ( 0.000 -2.723 0.000) 2.723 3.391 ( -0.000 -3.373 -0.000) 3.373 3.417 ( 0.000 -1.918 -0.000) 1.918 3.470 ( 0.000 0.292 -0.000) 0.292 3.508 ( 0.000 5.867 -0.000) 5.867 3.522 ( -0.000 -3.529 0.000) 3.529 3.572 ( 0.000 0.507 -0.000) 0.507 3.776 ( 0.000 -8.240 0.000) 8.240 3.794 ( 0.000 -4.369 -0.000) 4.369 3.850 ( -0.000 9.584 0.000) 9.584 3.872 ( 0.000 1.033 -0.000) 1.033 3.941 ( 0.000 1.364 -0.000) 1.364 4.101 ( 0.000 -7.023 0.000) 7.023 4.131 ( 0.000 2.666 -0.000) 2.666 4.180 ( 0.000 3.405 0.000) 3.405 4.235 ( 0.000 -1.064 0.000) 1.064 4.237 ( -0.000 0.003 -0.000) 0.003 4.260 ( 0.000 -0.121 -0.000) 0.121 4.293 ( 0.000 2.448 -0.000) 2.448 4.374 ( 0.000 -3.181 -0.000) 3.181 4.409 ( 0.000 -0.136 0.000) 0.136 4.458 ( 0.000 1.566 -0.000) 1.566 4.492 ( 0.000 0.886 0.000) 0.886 4.519 ( -0.000 0.746 -0.000) 0.746 4.533 ( 0.000 0.788 0.000) 0.788 4.693 ( 0.000 -1.956 0.000) 1.956 4.713 ( 0.000 1.806 -0.000) 1.806 4.895 ( 0.000 -1.212 -0.000) 1.212 4.986 ( 0.000 -1.309 0.000) 1.309 5.066 ( 0.000 1.508 0.000) 1.508 5.070 ( 0.000 1.040 -0.000) 1.040 5.101 ( 0.000 -0.416 -0.000) 0.416 5.257 ( 0.000 3.583 -0.000) 3.583 5.303 ( 0.000 -3.731 -0.000) 3.731 5.344 ( 0.000 0.981 -0.000) 0.981 5.478 ( 0.000 -5.156 -0.000) 5.156 5.721 ( 0.000 -2.471 -0.000) 2.471 5.796 ( 0.000 4.777 0.000) 4.777 6.014 ( 0.000 -0.405 -0.000) 0.405 6.241 ( 0.000 -4.450 -0.000) 4.450 6.367 ( 0.000 -1.147 -0.000) 1.147 6.417 ( 0.000 3.083 0.000) 3.083 6.519 ( 0.000 7.570 -0.000) 7.570 6.764 ( 0.000 0.108 -0.000) 0.108 6.821 ( 0.000 0.089 0.000) 0.089 6.946 ( 0.000 2.925 -0.000) 2.925 7.142 ( 0.000 -4.012 -0.000) 4.012 8.618 ( 0.000 0.719 -0.000) 0.719 8.654 ( -0.000 3.216 -0.000) 3.216 8.965 ( 0.000 -3.827 0.000) 3.827 9.080 ( 0.000 -0.495 -0.000) 0.495 9.106 ( 0.000 -1.395 -0.000) 1.395 9.171 ( 0.000 -1.382 -0.000) 1.382 9.389 ( 0.000 4.289 -0.000) 4.289 9.460 ( 0.000 -2.354 -0.000) 2.354 10.068 ( 0.000 -0.120 0.000) 0.120 10.075 ( 0.000 2.385 0.000) 2.385 10.173 ( 0.000 2.534 -0.000) 2.534 10.216 ( 0.000 -2.237 -0.000) 2.237 10.400 ( -0.000 0.313 -0.000) 0.313 10.437 ( 0.000 -3.999 -0.000) 3.999 10.562 ( 0.000 1.160 -0.000) 1.160 10.571 ( 0.000 -2.694 0.000) 2.694 10.746 ( 0.000 2.624 0.000) 2.624 10.772 ( 0.000 1.280 0.000) 1.280 10.813 ( 0.000 5.602 -0.000) 5.602 10.909 ( 0.000 1.175 0.000) 1.175 11.055 ( 0.000 -0.698 -0.000) 0.698 11.157 ( 0.000 3.489 0.000) 3.489 11.401 ( 0.000 2.001 -0.000) 2.001 11.555 ( 0.000 0.511 0.000) 0.511 11.793 ( 0.000 0.565 0.000) 0.565 11.808 ( 0.000 -0.342 0.000) 0.342 11.897 ( 0.000 -2.989 -0.000) 2.989 11.970 ( 0.000 -1.979 -0.000) 1.979 12.226 ( 0.000 -0.117 -0.000) 0.117 12.319 ( 0.000 -3.584 0.000) 3.584 12.381 ( 0.000 2.990 0.000) 2.990 12.494 ( 0.000 1.551 -0.000) 1.551 13.526 ( 0.000 -3.666 -0.000) 3.666 13.639 ( 0.000 -2.936 0.000) 2.936 13.725 ( 0.000 1.897 0.000) 1.897 13.849 ( 0.000 -0.493 0.000) 0.493 14.075 ( 0.000 -3.041 0.000) 3.041 14.321 ( 0.000 -3.776 -0.000) 3.776 14.563 ( 0.000 3.687 0.000) 3.687 14.689 ( 0.000 -0.332 -0.000) 0.332 22.298 ( 0.000 5.851 0.000) 5.851 22.413 ( 0.000 17.316 0.000) 17.316 22.903 ( 0.000 -3.015 -0.000) 3.015 23.003 ( 0.000 1.396 -0.000) 1.396 23.227 ( 0.000 2.190 0.000) 2.190 23.660 ( 0.000 -1.425 0.000) 1.425 23.749 ( 0.000 -0.400 -0.000) 0.400 23.909 ( 0.000 0.440 0.000) 0.440 23.931 ( 0.000 0.044 -0.000) 0.044 24.094 ( 0.000 -4.697 -0.000) 4.697 24.214 ( 0.000 1.042 0.000) 1.042 24.272 ( 0.000 3.055 -0.000) 3.055 24.402 ( 0.000 1.583 0.000) 1.583 24.443 ( 0.000 1.822 0.000) 1.822 24.458 ( 0.000 -0.798 -0.000) 0.798 24.515 ( 0.000 0.195 -0.000) 0.195 24.655 ( 0.000 0.232 0.000) 0.232 24.815 ( 0.000 -1.310 0.000) 1.310 24.960 ( 0.000 2.541 -0.000) 2.541 25.364 ( 0.000 -2.133 0.000) 2.133 25.416 ( 0.000 1.080 -0.000) 1.080 25.599 ( 0.000 -1.148 -0.000) 1.148 25.896 ( 0.000 5.987 -0.000) 5.987 26.686 ( 0.000 -3.489 -0.000) 3.489 27.242 ( 0.000 -1.489 0.000) 1.489 27.317 ( 0.000 1.190 0.000) 1.190 27.334 ( 0.000 -0.742 -0.000) 0.742 27.355 ( 0.000 -0.565 -0.000) 0.565 27.616 ( 0.000 2.191 0.000) 2.191 27.734 ( 0.000 -1.235 0.000) 1.235 28.175 ( 0.000 -4.200 0.000) 4.200 28.205 ( 0.000 -7.646 -0.000) 7.646 ======================= Grid point 14 (9/64) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( 0.000 21.741 0.000) 21.741 0.949 ( 0.000 23.325 0.000) 23.325 1.628 ( 0.000 27.542 0.000) 27.542 1.722 ( 0.000 -2.890 0.000) 2.890 1.826 ( 0.000 -2.476 0.000) 2.476 1.893 ( 0.000 0.640 0.000) 0.640 2.065 ( 0.000 -8.371 0.000) 8.371 2.065 ( 0.000 8.423 0.000) 8.423 2.158 ( 0.000 6.179 0.000) 6.179 2.363 ( 0.000 9.304 0.000) 9.304 2.390 ( 0.000 -0.097 0.000) 0.097 2.485 ( 0.000 5.816 0.000) 5.816 2.547 ( 0.000 6.066 0.000) 6.066 2.575 ( 0.000 1.110 0.000) 1.110 2.660 ( 0.000 -2.777 0.000) 2.777 2.816 ( 0.000 1.050 0.000) 1.050 2.845 ( 0.000 -0.773 0.000) 0.773 2.931 ( 0.000 -1.432 0.000) 1.432 2.996 ( 0.000 -3.439 0.000) 3.439 3.022 ( 0.000 0.363 0.000) 0.363 3.077 ( 0.000 -2.678 0.000) 2.678 3.127 ( 0.000 -0.847 0.000) 0.847 3.139 ( 0.000 -0.187 0.000) 0.187 3.190 ( 0.000 -2.578 0.000) 2.578 3.275 ( 0.000 -2.412 0.000) 2.412 3.279 ( 0.000 0.220 0.000) 0.220 3.339 ( 0.000 -1.912 0.000) 1.912 3.385 ( 0.000 -1.179 0.000) 1.179 3.419 ( 0.000 2.103 0.000) 2.103 3.451 ( 0.000 2.662 0.000) 2.662 3.629 ( 0.000 3.908 0.000) 3.908 3.637 ( 0.000 2.051 0.000) 2.051 3.676 ( 0.000 -5.476 0.000) 5.476 3.677 ( 0.000 -1.427 0.000) 1.427 3.721 ( 0.000 -6.646 0.000) 6.646 3.892 ( 0.000 -10.433 0.000) 10.433 3.931 ( 0.000 -2.009 0.000) 2.009 4.042 ( 0.000 -6.367 0.000) 6.367 4.123 ( 0.000 7.236 0.000) 7.236 4.126 ( 0.000 5.909 0.000) 5.909 4.211 ( 0.000 -0.802 0.000) 0.802 4.289 ( 0.000 4.342 0.000) 4.342 4.337 ( 0.000 3.389 0.000) 3.389 4.373 ( 0.000 4.297 0.000) 4.297 4.388 ( 0.000 -3.329 0.000) 3.329 4.426 ( 0.000 3.293 0.000) 3.293 4.456 ( 0.000 -3.510 0.000) 3.510 4.532 ( 0.000 0.457 0.000) 0.457 4.548 ( 0.000 -0.580 0.000) 0.580 4.584 ( 0.000 -2.784 0.000) 2.784 4.684 ( 0.000 -2.427 0.000) 2.427 4.795 ( 0.000 -0.331 0.000) 0.331 4.879 ( 0.000 -1.265 0.000) 1.265 4.890 ( 0.000 -0.146 0.000) 0.146 5.016 ( 0.000 4.619 0.000) 4.619 5.096 ( 0.000 0.342 0.000) 0.342 5.171 ( 0.000 -1.593 0.000) 1.593 5.207 ( 0.000 1.807 0.000) 1.807 5.319 ( 0.000 -0.003 0.000) 0.003 5.348 ( 0.000 -1.471 0.000) 1.471 5.452 ( 0.000 -0.923 0.000) 0.923 5.508 ( 0.000 -5.484 0.000) 5.484 5.896 ( 0.000 -0.812 0.000) 0.812 5.905 ( 0.000 2.768 0.000) 2.768 6.257 ( 0.000 1.178 0.000) 1.178 6.439 ( 0.000 -2.162 0.000) 2.162 6.483 ( 0.000 4.224 0.000) 4.224 6.634 ( 0.000 4.580 0.000) 4.580 6.832 ( 0.000 -1.008 0.000) 1.008 6.902 ( 0.000 -4.337 0.000) 4.337 7.009 ( 0.000 3.982 0.000) 3.982 7.095 ( 0.000 0.689 0.000) 0.689 8.753 ( 0.000 0.673 0.000) 0.673 8.796 ( 0.000 0.369 0.000) 0.369 8.964 ( 0.000 -2.982 0.000) 2.982 9.031 ( 0.000 -3.486 0.000) 3.486 9.114 ( 0.000 2.378 0.000) 2.378 9.247 ( 0.000 -1.414 0.000) 1.414 9.384 ( 0.000 0.432 0.000) 0.432 9.393 ( 0.000 1.636 0.000) 1.636 10.089 ( 0.000 1.944 0.000) 1.944 10.115 ( 0.000 0.211 0.000) 0.211 10.151 ( 0.000 1.243 0.000) 1.243 10.170 ( 0.000 -2.433 0.000) 2.433 10.401 ( 0.000 -0.161 0.000) 0.161 10.486 ( 0.000 -0.942 0.000) 0.942 10.515 ( 0.000 -1.590 0.000) 1.590 10.585 ( 0.000 -2.525 0.000) 2.525 10.739 ( 0.000 2.206 0.000) 2.206 10.927 ( 0.000 6.138 0.000) 6.138 10.979 ( 0.000 -3.557 0.000) 3.557 11.046 ( 0.000 0.571 0.000) 0.571 11.171 ( 0.000 7.402 0.000) 7.402 11.222 ( 0.000 3.487 0.000) 3.487 11.440 ( 0.000 6.191 0.000) 6.191 11.571 ( 0.000 0.359 0.000) 0.359 11.620 ( 0.000 -4.136 0.000) 4.136 11.664 ( 0.000 -1.715 0.000) 1.715 11.816 ( 0.000 -4.128 0.000) 4.128 11.889 ( 0.000 -4.333 0.000) 4.333 12.258 ( 0.000 0.112 0.000) 0.112 12.297 ( 0.000 -1.374 0.000) 1.374 12.441 ( 0.000 0.728 0.000) 0.728 12.468 ( 0.000 0.413 0.000) 0.413 13.281 ( 0.000 4.333 0.000) 4.333 13.562 ( 0.000 -3.443 0.000) 3.443 13.735 ( 0.000 1.348 0.000) 1.348 13.796 ( 0.000 -0.532 0.000) 0.532 14.031 ( 0.000 1.691 0.000) 1.691 14.299 ( 0.000 -6.236 0.000) 6.236 14.591 ( 0.000 -0.666 0.000) 0.666 14.619 ( 0.000 -1.484 0.000) 1.484 22.457 ( 0.000 9.521 0.000) 9.521 22.842 ( 0.000 -2.962 0.000) 2.962 22.908 ( 0.000 0.046 0.000) 0.046 23.019 ( 0.000 -0.996 0.000) 0.996 23.530 ( 0.000 6.050 0.000) 6.050 23.754 ( 0.000 -3.617 0.000) 3.617 23.795 ( 0.000 -1.071 0.000) 1.071 23.871 ( 0.000 4.456 0.000) 4.456 23.933 ( 0.000 -2.109 0.000) 2.109 24.099 ( 0.000 -1.061 0.000) 1.061 24.177 ( 0.000 0.274 0.000) 0.274 24.280 ( 0.000 -1.118 0.000) 1.118 24.412 ( 0.000 0.100 0.000) 0.100 24.438 ( 0.000 1.815 0.000) 1.815 24.548 ( 0.000 -0.032 0.000) 0.032 24.603 ( 0.000 -0.514 0.000) 0.514 24.688 ( 0.000 0.606 0.000) 0.606 24.756 ( 0.000 -1.219 0.000) 1.219 25.064 ( 0.000 1.025 0.000) 1.025 25.239 ( 0.000 -3.832 0.000) 3.832 25.453 ( 0.000 2.024 0.000) 2.024 25.536 ( 0.000 -0.368 0.000) 0.368 26.111 ( 0.000 10.310 0.000) 10.310 26.747 ( 0.000 -8.603 0.000) 8.603 27.171 ( 0.000 -0.614 0.000) 0.614 27.178 ( 0.000 -0.722 0.000) 0.722 27.307 ( 0.000 1.514 0.000) 1.514 27.388 ( 0.000 -0.841 0.000) 0.841 27.606 ( 0.000 3.203 0.000) 3.203 27.708 ( 0.000 5.237 0.000) 5.237 27.857 ( 0.000 -4.197 0.000) 4.197 28.088 ( 0.000 -5.913 0.000) 5.913 ======================= Grid point 15 (10/64) ======================= q-point: ( 0.17 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( 4.975 17.392 -0.083) 18.090 1.048 ( 9.788 20.687 8.068) 24.267 1.638 ( 0.705 23.412 0.625) 23.431 1.728 ( 1.967 0.504 1.580) 2.573 1.868 ( 3.151 -0.731 -0.062) 3.235 1.917 ( 2.179 1.010 1.817) 3.012 2.021 ( -1.078 0.196 5.240) 5.354 2.142 ( 3.919 -3.499 1.130) 5.374 2.155 ( -0.123 5.207 2.619) 5.830 2.382 ( -1.319 7.362 -3.878) 8.425 2.397 ( -0.195 2.975 1.267) 3.239 2.446 ( -1.543 5.619 1.054) 5.922 2.490 ( 0.581 3.215 -0.286) 3.279 2.642 ( -2.654 0.110 2.881) 3.918 2.658 ( 1.811 6.646 2.792) 7.432 2.736 ( -3.654 -3.624 -4.092) 6.575 2.842 ( -1.666 0.398 3.394) 3.802 2.898 ( -6.195 0.027 -1.148) 6.301 2.981 ( -0.189 -0.898 1.309) 1.599 3.058 ( 2.421 -2.382 -4.455) 5.602 3.075 ( -0.090 -2.765 -2.047) 3.442 3.109 ( -3.656 2.163 -0.463) 4.274 3.142 ( -0.970 -1.115 1.333) 1.990 3.157 ( 2.860 -2.116 -0.780) 3.642 3.214 ( -3.092 -0.773 -0.878) 3.306 3.295 ( -0.375 -1.716 -2.941) 3.425 3.316 ( 2.370 -2.681 2.450) 4.336 3.416 ( 0.445 -0.237 -1.257) 1.355 3.459 ( 1.308 1.829 -0.630) 2.335 3.497 ( 4.621 0.036 -4.621) 6.535 3.604 ( -0.390 0.337 -2.289) 2.346 3.652 ( -0.361 -0.077 0.102) 0.383 3.683 ( -0.214 -4.111 -3.043) 5.119 3.692 ( -0.681 -2.243 0.381) 2.375 3.767 ( 6.141 -4.036 -0.356) 7.357 3.882 ( 0.021 -6.894 -2.473) 7.324 3.956 ( 1.540 -2.056 1.187) 2.830 4.050 ( 0.252 -5.636 1.765) 5.911 4.098 ( -1.016 5.621 5.608) 8.005 4.165 ( 2.114 3.826 1.795) 4.726 4.208 ( 0.287 -1.276 -3.070) 3.337 4.258 ( -2.020 3.266 -1.843) 4.260 4.342 ( -0.568 2.908 -0.595) 3.022 4.362 ( -1.320 3.682 1.309) 4.125 4.395 ( 0.395 1.898 -2.651) 3.284 4.429 ( -2.126 -2.218 -0.515) 3.115 4.447 ( 2.191 1.922 0.831) 3.030 4.507 ( -1.260 -1.043 2.040) 2.615 4.544 ( -0.597 -1.040 -4.472) 4.630 4.596 ( -0.310 -0.787 1.759) 1.952 4.667 ( -0.404 -2.106 0.695) 2.254 4.822 ( 0.816 0.161 -1.598) 1.801 4.866 ( -1.412 -1.638 0.684) 2.268 4.889 ( 0.662 0.127 -4.520) 4.570 5.025 ( 1.105 3.441 -0.304) 3.627 5.084 ( -0.945 0.098 -0.717) 1.191 5.167 ( -1.503 0.420 2.894) 3.288 5.233 ( 2.578 2.193 1.143) 3.573 5.267 ( -3.810 -0.531 -1.259) 4.047 5.328 ( 0.690 0.174 0.973) 1.205 5.395 ( -0.180 -0.614 0.404) 0.757 5.628 ( 4.283 -6.797 4.181) 9.056 5.873 ( -0.932 2.149 1.861) 2.992 5.944 ( 2.109 -1.949 0.709) 2.958 6.243 ( -1.276 1.100 -0.118) 1.689 6.416 ( -2.241 -2.156 0.168) 3.115 6.483 ( 0.059 4.157 0.073) 4.158 6.635 ( 0.128 4.559 -0.454) 4.583 6.808 ( -2.181 -0.533 1.999) 3.007 6.889 ( -1.435 -3.837 -1.801) 4.475 7.007 ( -0.181 3.790 0.463) 3.823 7.089 ( -0.517 0.153 0.046) 0.541 8.710 ( -3.136 1.323 0.911) 3.524 8.816 ( -0.008 1.965 -0.548) 2.040 8.914 ( -3.210 -4.245 -0.208) 5.326 9.026 ( -0.953 -2.993 -1.366) 3.425 9.103 ( -0.606 0.737 1.978) 2.196 9.211 ( -3.073 -1.804 -0.229) 3.571 9.394 ( 1.634 1.662 -0.196) 2.339 9.431 ( 2.084 1.033 0.652) 2.416 10.089 ( -0.073 1.989 -0.413) 2.033 10.118 ( 0.427 0.942 1.024) 1.455 10.156 ( 0.534 0.578 -2.278) 2.411 10.193 ( 1.903 -1.945 0.720) 2.814 10.378 ( -1.835 0.109 -0.114) 1.842 10.466 ( -1.469 -0.605 -0.040) 1.589 10.533 ( 0.833 -1.617 -0.038) 1.820 10.567 ( -1.377 -2.791 -0.514) 3.154 10.760 ( 1.933 2.108 -0.923) 3.006 10.898 ( -2.596 4.300 0.225) 5.027 10.943 ( -3.702 1.291 1.539) 4.211 11.011 ( -2.310 -0.678 0.338) 2.431 11.101 ( -2.363 6.149 0.607) 6.615 11.305 ( 1.328 2.944 -1.574) 3.593 11.396 ( -1.117 4.839 0.797) 5.030 11.579 ( -1.210 1.077 -3.432) 3.795 11.644 ( 5.782 -0.460 0.958) 5.879 11.730 ( 3.851 -3.140 -3.088) 5.850 11.815 ( -0.011 -3.842 1.614) 4.167 11.894 ( 0.429 -4.481 -0.111) 4.503 12.246 ( -0.738 -0.610 0.265) 0.993 12.262 ( -2.280 -0.837 -2.423) 3.430 12.464 ( 1.331 1.540 0.115) 2.038 12.482 ( 1.230 1.264 -3.495) 3.915 13.347 ( 5.110 0.060 9.359) 10.663 13.565 ( 0.184 -3.634 2.026) 4.165 13.738 ( 0.328 1.496 0.610) 1.648 13.805 ( 0.822 -0.683 2.089) 2.346 14.032 ( 0.186 1.246 -1.253) 1.777 14.285 ( -1.432 -6.076 -1.247) 6.366 14.596 ( 0.618 -0.055 0.107) 0.629 14.639 ( 1.729 -1.170 -0.206) 2.098 22.455 ( -0.144 9.471 0.011) 9.472 22.828 ( -1.757 -0.594 0.043) 1.855 22.884 ( -2.294 0.708 0.125) 2.404 23.017 ( -0.241 -1.062 -0.061) 1.091 23.460 ( -6.672 9.536 -0.868) 11.670 23.700 ( -3.204 -0.658 -0.497) 3.308 23.789 ( -1.463 0.266 1.916) 2.425 23.864 ( 0.652 -0.176 -0.697) 0.971 23.961 ( 1.456 -1.547 -0.130) 2.128 24.059 ( -3.801 -0.965 2.900) 4.877 24.193 ( 1.558 0.947 1.905) 2.637 24.272 ( 0.303 0.443 0.642) 0.836 24.414 ( 0.412 0.068 -1.607) 1.660 24.445 ( 0.276 1.090 -1.286) 1.708 24.540 ( -0.705 0.037 -0.630) 0.946 24.560 ( -3.192 1.163 -0.860) 3.504 24.681 ( -0.611 0.717 0.503) 1.068 24.764 ( 0.670 -1.485 0.222) 1.645 25.040 ( -1.365 2.827 0.384) 3.163 25.261 ( 1.697 -4.295 -2.419) 5.213 25.449 ( -0.199 2.189 -1.235) 2.522 25.550 ( 1.129 -1.036 -3.555) 3.872 26.101 ( -1.237 10.179 1.210) 10.325 26.676 ( -4.633 -5.938 1.511) 7.681 27.155 ( 1.039 -0.116 -0.572) 1.192 27.275 ( 4.120 -4.053 -2.189) 6.180 27.312 ( 0.498 1.400 -0.042) 1.486 27.384 ( -0.759 -0.900 0.789) 1.418 27.653 ( 2.974 0.901 2.778) 4.168 27.704 ( -0.097 3.291 -0.255) 3.302 27.901 ( 4.486 -5.337 0.384) 6.983 28.087 ( -0.105 -5.877 -0.224) 5.882 ======================= Grid point 16 (11/64) ======================= q-point: ( 0.33 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( 5.381 9.255 -1.195) 10.772 1.268 ( 11.189 16.625 9.534) 22.192 1.652 ( 0.742 19.260 0.614) 19.284 1.807 ( 4.144 3.731 4.259) 7.016 1.877 ( 0.627 0.557 -2.401) 2.543 1.971 ( 2.327 -0.117 1.642) 2.850 2.074 ( 5.173 0.477 4.285) 6.734 2.145 ( -1.484 3.389 0.673) 3.760 2.200 ( 3.006 -6.128 3.887) 7.854 2.292 ( -6.465 2.954 2.562) 7.555 2.380 ( -2.042 10.338 -1.462) 10.639 2.445 ( -3.131 6.554 -2.963) 7.844 2.476 ( -0.069 1.539 -1.935) 2.473 2.546 ( -4.148 2.957 -0.556) 5.124 2.654 ( -3.955 4.763 3.546) 7.134 2.732 ( -1.127 -4.383 -2.196) 5.030 2.767 ( -1.765 4.045 1.073) 4.542 2.819 ( -0.910 1.388 1.593) 2.301 2.969 ( -2.302 -0.272 0.138) 2.322 3.020 ( -0.669 2.111 -0.424) 2.254 3.056 ( 1.487 -2.858 -0.934) 3.354 3.147 ( 3.642 -2.830 -1.912) 4.993 3.157 ( 0.946 -1.541 -1.453) 2.320 3.213 ( 2.690 0.222 1.198) 2.953 3.234 ( 3.272 -0.697 -3.991) 5.207 3.299 ( 0.428 -3.253 1.432) 3.580 3.379 ( 1.418 -5.411 -0.599) 5.625 3.405 ( 1.252 -0.936 -0.810) 1.760 3.445 ( -3.369 -1.821 -1.659) 4.173 3.533 ( 1.755 4.437 0.839) 4.845 3.607 ( -4.188 -2.507 -1.738) 5.181 3.627 ( 0.349 1.265 -5.399) 5.556 3.669 ( 2.497 -2.821 3.067) 4.858 3.721 ( 0.297 0.052 -1.318) 1.352 3.845 ( 1.230 -6.123 -0.723) 6.287 3.916 ( 3.497 -0.043 -1.454) 3.788 3.941 ( -2.212 -4.370 -3.927) 6.278 4.008 ( -3.323 0.575 2.771) 4.365 4.124 ( 0.674 -3.218 1.016) 3.441 4.196 ( 1.675 -0.334 5.919) 6.161 4.225 ( 0.952 2.133 -3.672) 4.352 4.254 ( 1.780 -0.914 0.111) 2.004 4.307 ( -2.421 1.732 -2.863) 4.130 4.318 ( -1.974 3.706 3.920) 5.744 4.381 ( -1.265 4.213 -2.386) 5.005 4.419 ( -0.001 1.783 -1.859) 2.575 4.486 ( 0.431 0.480 -0.366) 0.742 4.502 ( 1.973 0.507 2.848) 3.501 4.529 ( -0.797 0.769 -2.688) 2.908 4.585 ( -0.674 0.441 0.666) 1.045 4.657 ( -1.204 -2.191 -1.955) 3.173 4.785 ( -2.121 3.690 -3.271) 5.368 4.853 ( -0.294 -3.045 2.158) 3.744 4.922 ( 1.987 -1.841 -0.778) 2.818 5.056 ( 2.019 1.686 -1.355) 2.959 5.088 ( 1.451 0.507 1.577) 2.203 5.131 ( -1.903 2.055 3.331) 4.352 5.248 ( -0.086 -1.701 -0.961) 1.956 5.286 ( 2.615 1.576 -0.259) 3.065 5.343 ( 0.544 -0.240 0.995) 1.159 5.404 ( 0.759 -0.871 1.345) 1.773 5.661 ( -0.063 -5.286 2.289) 5.760 5.863 ( -0.309 2.040 0.109) 2.066 5.968 ( 0.357 -3.842 1.428) 4.114 6.219 ( -0.954 1.025 -0.033) 1.401 6.366 ( -2.673 -1.989 0.052) 3.332 6.484 ( 0.038 4.009 0.013) 4.009 6.637 ( 0.136 4.414 -0.353) 4.430 6.771 ( -1.469 -0.321 2.016) 2.515 6.849 ( -2.398 -1.887 -1.871) 3.579 7.006 ( 0.169 3.307 0.403) 3.336 7.079 ( -0.443 -1.284 0.093) 1.362 8.659 ( -1.994 1.841 0.902) 2.860 8.763 ( -4.008 2.925 -0.615) 5.000 8.891 ( -0.179 -4.255 0.407) 4.279 9.020 ( 0.818 -3.636 -2.515) 4.496 9.090 ( -1.041 -0.886 2.169) 2.564 9.158 ( -2.153 -1.970 -0.038) 2.919 9.426 ( 1.524 1.671 -0.081) 2.263 9.456 ( 0.527 1.486 0.609) 1.690 10.086 ( -0.207 1.778 -0.007) 1.790 10.129 ( 0.473 2.650 0.305) 2.709 10.167 ( 0.812 -0.590 -1.845) 2.101 10.220 ( 0.497 0.146 0.844) 0.991 10.356 ( -0.048 -1.344 0.022) 1.345 10.432 ( -2.164 -0.433 0.453) 2.253 10.525 ( -0.559 -2.085 -0.637) 2.251 10.566 ( 0.675 -1.202 -0.421) 1.441 10.789 ( 0.810 1.987 -0.870) 2.315 10.842 ( -3.048 2.886 0.419) 4.218 10.896 ( -0.301 2.753 0.178) 2.776 10.968 ( -2.748 0.144 0.831) 2.874 11.077 ( -0.435 4.636 -0.486) 4.681 11.258 ( -2.863 3.945 0.675) 4.921 11.437 ( 2.663 3.585 0.229) 4.472 11.561 ( -0.640 0.730 -3.133) 3.280 11.752 ( 4.740 0.318 0.481) 4.775 11.786 ( 2.217 -2.316 -2.465) 4.044 11.817 ( -0.021 -3.738 2.388) 4.436 11.899 ( 0.058 -4.787 -0.694) 4.837 12.230 ( -1.034 -0.576 -0.930) 1.506 12.245 ( 0.470 -2.056 0.034) 2.109 12.467 ( -0.528 3.622 -1.680) 4.028 12.510 ( 1.379 1.376 -1.087) 2.231 13.430 ( 2.689 -2.774 6.282) 7.375 13.569 ( 0.096 -3.932 1.593) 4.244 13.750 ( 0.826 1.741 0.938) 2.143 13.824 ( 0.977 -0.831 2.525) 2.832 14.034 ( 0.095 0.003 -1.422) 1.425 14.249 ( -1.958 -5.735 -1.426) 6.226 14.613 ( 1.021 1.452 -0.251) 1.792 14.669 ( 1.167 -0.669 0.229) 1.364 22.452 ( -0.144 9.379 0.013) 9.380 22.768 ( -3.728 8.939 0.133) 9.686 22.850 ( -1.020 -2.444 -0.080) 2.649 23.011 ( -0.271 -1.176 0.004) 1.207 23.352 ( -3.570 9.536 -0.172) 10.184 23.660 ( -1.280 -0.239 -0.390) 1.360 23.760 ( -1.271 0.737 0.103) 1.473 23.886 ( 1.436 -1.159 0.196) 1.856 23.959 ( -1.991 0.162 0.078) 2.000 24.012 ( -0.534 -3.325 2.245) 4.047 24.227 ( 1.636 1.670 1.033) 2.556 24.294 ( 1.416 0.906 0.187) 1.691 24.425 ( 0.672 0.167 -1.036) 1.246 24.440 ( -0.464 0.335 -1.701) 1.795 24.508 ( -2.157 1.737 0.146) 2.773 24.527 ( -0.662 0.198 -0.223) 0.726 24.670 ( -0.477 0.895 0.064) 1.017 24.776 ( 0.528 -1.920 0.363) 2.024 25.026 ( -0.242 3.700 0.051) 3.708 25.288 ( 1.109 -4.422 -1.824) 4.910 25.447 ( 0.043 2.172 -0.995) 2.390 25.567 ( 0.754 -1.396 -2.323) 2.814 26.072 ( -1.544 10.093 0.755) 10.238 26.613 ( -2.299 -6.052 2.327) 6.879 27.191 ( 2.423 -0.216 -0.907) 2.596 27.315 ( 0.855 -2.095 -1.537) 2.736 27.325 ( 0.698 0.223 -0.240) 0.771 27.357 ( -1.886 -0.721 0.820) 2.179 27.675 ( -0.011 3.210 -0.295) 3.224 27.710 ( 0.331 -0.617 1.190) 1.381 27.992 ( 4.092 -7.910 0.980) 8.960 28.082 ( -0.370 -5.850 -0.375) 5.873 ======================= Grid point 17 (12/64) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( 0.000 5.123 -0.000) 5.123 1.397 ( 0.000 14.961 0.000) 14.961 1.660 ( 0.000 17.184 -0.000) 17.184 1.811 ( 0.000 5.995 -0.000) 5.995 1.958 ( 0.000 -5.481 -0.000) 5.481 1.987 ( 0.000 2.461 0.000) 2.461 2.118 ( -0.000 3.170 0.000) 3.170 2.157 ( 0.000 2.015 -0.000) 2.015 2.165 ( 0.000 6.637 0.000) 6.637 2.255 ( 0.000 -6.044 -0.000) 6.044 2.330 ( 0.000 5.855 -0.000) 5.855 2.419 ( 0.000 4.726 0.000) 4.726 2.487 ( 0.000 -1.907 -0.000) 1.907 2.496 ( -0.000 8.530 0.000) 8.530 2.582 ( 0.000 4.191 0.000) 4.191 2.701 ( 0.000 -0.733 -0.000) 0.733 2.762 ( 0.000 10.126 -0.000) 10.126 2.838 ( 0.000 -7.618 -0.000) 7.618 2.959 ( 0.000 1.529 0.000) 1.529 2.984 ( 0.000 3.261 -0.000) 3.261 3.101 ( 0.000 0.351 0.000) 0.351 3.171 ( 0.000 -2.171 0.000) 2.171 3.213 ( 0.000 0.450 -0.000) 0.450 3.238 ( 0.000 -3.872 -0.000) 3.872 3.270 ( 0.000 -6.257 0.000) 6.257 3.326 ( -0.000 -3.083 0.000) 3.083 3.332 ( 0.000 -0.190 -0.000) 0.190 3.371 ( 0.000 -2.723 0.000) 2.723 3.468 ( 0.000 -7.404 -0.000) 7.404 3.557 ( 0.000 4.898 0.000) 4.898 3.577 ( 0.000 0.009 -0.000) 0.009 3.619 ( 0.000 5.638 0.000) 5.638 3.695 ( -0.000 3.941 0.000) 3.941 3.710 ( 0.000 -3.355 -0.000) 3.355 3.825 ( 0.000 -4.874 -0.000) 4.874 3.926 ( 0.000 -9.011 -0.000) 9.011 3.967 ( 0.000 0.481 0.000) 0.481 3.973 ( 0.000 2.097 -0.000) 2.097 4.124 ( 0.000 -6.249 0.000) 6.249 4.193 ( 0.000 -2.862 0.000) 2.862 4.242 ( 0.000 5.683 -0.000) 5.683 4.266 ( -0.000 5.543 -0.000) 5.543 4.279 ( 0.000 -4.018 0.000) 4.018 4.339 ( 0.000 -1.086 -0.000) 1.086 4.362 ( 0.000 6.377 -0.000) 6.377 4.413 ( 0.000 2.021 0.000) 2.021 4.490 ( -0.000 1.184 -0.000) 1.184 4.508 ( 0.000 1.150 0.000) 1.150 4.546 ( -0.000 1.624 -0.000) 1.624 4.559 ( 0.000 2.188 0.000) 2.188 4.646 ( 0.000 -2.545 0.000) 2.545 4.768 ( 0.000 3.503 0.000) 3.503 4.851 ( 0.000 -3.438 -0.000) 3.438 4.941 ( 0.000 -2.822 0.000) 2.822 5.093 ( 0.000 1.083 -0.000) 1.083 5.094 ( -0.000 1.665 0.000) 1.665 5.113 ( 0.000 0.943 0.000) 0.943 5.244 ( 0.000 -1.323 0.000) 1.323 5.318 ( 0.000 1.358 -0.000) 1.358 5.344 ( 0.000 -0.679 -0.000) 0.679 5.414 ( 0.000 -1.229 0.000) 1.229 5.657 ( 0.000 -4.353 -0.000) 4.353 5.860 ( 0.000 1.687 0.000) 1.687 5.969 ( 0.000 -4.111 0.000) 4.111 6.211 ( 0.000 1.103 -0.000) 1.103 6.336 ( 0.000 -1.844 -0.000) 1.844 6.485 ( 0.000 3.937 0.000) 3.937 6.639 ( 0.000 4.226 -0.000) 4.226 6.759 ( 0.000 -0.583 -0.000) 0.583 6.819 ( 0.000 -0.434 0.000) 0.434 7.009 ( 0.000 3.127 0.000) 3.127 7.074 ( 0.000 -2.164 0.000) 2.164 8.641 ( 0.000 1.731 -0.000) 1.731 8.718 ( 0.000 2.785 -0.000) 2.785 8.889 ( 0.000 -3.443 0.000) 3.443 9.037 ( 0.000 -5.338 0.000) 5.338 9.073 ( 0.000 -0.201 -0.000) 0.201 9.137 ( 0.000 -1.946 -0.000) 1.946 9.444 ( 0.000 0.773 0.000) 0.773 9.457 ( 0.000 2.480 -0.000) 2.480 10.083 ( 0.000 1.589 0.000) 1.589 10.133 ( 0.000 3.324 0.000) 3.324 10.179 ( 0.000 -1.410 -0.000) 1.410 10.219 ( 0.000 1.981 0.000) 1.981 10.367 ( 0.000 -2.877 -0.000) 2.877 10.401 ( -0.000 -0.487 -0.000) 0.487 10.524 ( 0.000 -1.701 -0.000) 1.701 10.572 ( 0.000 -0.260 -0.000) 0.260 10.801 ( 0.000 2.546 -0.000) 2.546 10.803 ( -0.000 1.672 0.000) 1.672 10.910 ( -0.000 2.997 0.000) 2.997 10.926 ( 0.000 0.576 -0.000) 0.576 11.075 ( 0.000 3.922 -0.000) 3.922 11.231 ( 0.000 3.637 0.000) 3.637 11.464 ( 0.000 4.650 -0.000) 4.650 11.553 ( 0.000 -0.410 0.000) 0.410 11.805 ( -0.000 0.329 0.000) 0.329 11.805 ( 0.000 -0.135 -0.000) 0.135 11.815 ( 0.000 -5.118 -0.000) 5.118 11.897 ( 0.000 -5.309 -0.000) 5.309 12.220 ( 0.000 -0.451 -0.000) 0.451 12.252 ( 0.000 -2.852 0.000) 2.852 12.459 ( 0.000 4.474 0.000) 4.474 12.523 ( 0.000 1.371 -0.000) 1.371 13.455 ( 0.000 -2.878 -0.000) 2.878 13.570 ( 0.000 -4.069 0.000) 4.069 13.760 ( 0.000 1.770 0.000) 1.770 13.836 ( 0.000 -0.853 -0.000) 0.853 14.035 ( 0.000 -0.712 0.000) 0.712 14.227 ( 0.000 -5.537 -0.000) 5.537 14.624 ( 0.000 2.309 0.000) 2.309 14.680 ( 0.000 -0.539 -0.000) 0.539 22.451 ( 0.000 9.338 0.000) 9.338 22.728 ( 0.000 12.155 0.000) 12.155 22.841 ( 0.000 -3.293 -0.000) 3.293 23.009 ( 0.000 -1.230 -0.000) 1.230 23.322 ( 0.000 7.884 0.000) 7.884 23.648 ( 0.000 -0.414 0.000) 0.414 23.747 ( 0.000 0.919 -0.000) 0.919 23.912 ( 0.000 0.049 -0.000) 0.049 23.924 ( -0.000 -0.970 0.000) 0.970 24.012 ( 0.000 -3.730 -0.000) 3.730 24.245 ( 0.000 1.945 0.000) 1.945 24.310 ( 0.000 0.891 -0.000) 0.891 24.427 ( 0.000 0.879 0.000) 0.879 24.442 ( 0.000 -0.778 -0.000) 0.778 24.484 ( 0.000 1.975 0.000) 1.975 24.520 ( 0.000 0.235 -0.000) 0.235 24.666 ( 0.000 0.967 0.000) 0.967 24.782 ( 0.000 -2.097 0.000) 2.097 25.025 ( 0.000 3.927 -0.000) 3.927 25.298 ( 0.000 -4.486 0.000) 4.486 25.448 ( 0.000 2.161 -0.000) 2.161 25.574 ( 0.000 -1.472 -0.000) 1.472 26.056 ( 0.000 9.965 0.000) 9.965 26.591 ( 0.000 -6.252 -0.000) 6.252 27.222 ( 0.000 -0.412 0.000) 0.412 27.318 ( 0.000 -1.269 0.000) 1.269 27.333 ( 0.000 0.400 -0.000) 0.400 27.334 ( 0.000 -1.127 0.000) 1.127 27.673 ( 0.000 3.404 0.000) 3.404 27.713 ( 0.000 -0.653 0.000) 0.653 28.035 ( 0.000 -8.540 0.000) 8.540 28.075 ( 0.000 -5.667 -0.000) 5.667 ======================= Grid point 21 (13/64) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( 0.000 19.598 0.000) 19.598 1.376 ( 0.000 20.509 0.000) 20.509 1.577 ( 0.000 -12.992 0.000) 12.992 1.728 ( 0.000 -14.876 0.000) 14.876 1.782 ( 0.000 -1.118 0.000) 1.118 1.788 ( 0.000 -1.178 0.000) 1.178 2.235 ( 0.000 6.644 0.000) 6.644 2.243 ( 0.000 10.413 0.000) 10.413 2.301 ( 0.000 8.985 0.000) 8.985 2.387 ( 0.000 1.943 0.000) 1.943 2.470 ( 0.000 0.407 0.000) 0.407 2.522 ( 0.000 -5.075 0.000) 5.075 2.582 ( 0.000 3.066 0.000) 3.066 2.587 ( 0.000 -1.184 0.000) 1.184 2.712 ( 0.000 6.877 0.000) 6.877 2.825 ( 0.000 -3.238 0.000) 3.238 2.862 ( 0.000 1.338 0.000) 1.338 2.866 ( 0.000 -2.118 0.000) 2.118 2.905 ( 0.000 -0.506 0.000) 0.506 2.993 ( 0.000 -5.371 0.000) 5.371 3.080 ( 0.000 -1.694 0.000) 1.694 3.086 ( 0.000 -1.284 0.000) 1.284 3.128 ( 0.000 6.008 0.000) 6.008 3.217 ( 0.000 -0.136 0.000) 0.136 3.257 ( 0.000 0.938 0.000) 0.938 3.286 ( 0.000 -2.324 0.000) 2.324 3.329 ( 0.000 4.717 0.000) 4.717 3.402 ( 0.000 2.766 0.000) 2.766 3.434 ( 0.000 -1.379 0.000) 1.379 3.488 ( 0.000 -9.226 0.000) 9.226 3.499 ( 0.000 2.003 0.000) 2.003 3.591 ( 0.000 -6.363 0.000) 6.363 3.647 ( 0.000 -1.116 0.000) 1.116 3.657 ( 0.000 -4.881 0.000) 4.881 3.713 ( 0.000 3.129 0.000) 3.129 3.740 ( 0.000 -0.430 0.000) 0.430 3.900 ( 0.000 -0.024 0.000) 0.024 3.945 ( 0.000 -4.051 0.000) 4.051 4.200 ( 0.000 2.639 0.000) 2.639 4.227 ( 0.000 3.220 0.000) 3.220 4.279 ( 0.000 3.223 0.000) 3.223 4.305 ( 0.000 -3.740 0.000) 3.740 4.369 ( 0.000 0.537 0.000) 0.537 4.385 ( 0.000 -0.859 0.000) 0.859 4.397 ( 0.000 4.545 0.000) 4.545 4.463 ( 0.000 -0.919 0.000) 0.919 4.466 ( 0.000 4.535 0.000) 4.535 4.532 ( 0.000 -2.454 0.000) 2.454 4.540 ( 0.000 0.300 0.000) 0.300 4.585 ( 0.000 -0.470 0.000) 0.470 4.642 ( 0.000 3.312 0.000) 3.312 4.758 ( 0.000 -4.416 0.000) 4.416 4.870 ( 0.000 0.053 0.000) 0.053 4.877 ( 0.000 -0.726 0.000) 0.726 5.087 ( 0.000 2.110 0.000) 2.110 5.129 ( 0.000 -2.348 0.000) 2.348 5.157 ( 0.000 6.735 0.000) 6.735 5.255 ( 0.000 1.562 0.000) 1.562 5.310 ( 0.000 -0.446 0.000) 0.446 5.313 ( 0.000 -2.467 0.000) 2.467 5.375 ( 0.000 -4.243 0.000) 4.243 5.400 ( 0.000 -5.062 0.000) 5.062 5.905 ( 0.000 1.555 0.000) 1.555 5.929 ( 0.000 -0.313 0.000) 0.313 6.307 ( 0.000 3.475 0.000) 3.475 6.377 ( 0.000 -3.618 0.000) 3.618 6.597 ( 0.000 6.290 0.000) 6.290 6.679 ( 0.000 -0.771 0.000) 0.771 6.812 ( 0.000 -0.934 0.000) 0.934 6.821 ( 0.000 -2.855 0.000) 2.855 7.073 ( 0.000 2.445 0.000) 2.445 7.100 ( 0.000 -0.400 0.000) 0.400 8.775 ( 0.000 1.499 0.000) 1.499 8.799 ( 0.000 -0.510 0.000) 0.510 8.923 ( 0.000 -0.441 0.000) 0.441 8.956 ( 0.000 -3.402 0.000) 3.402 9.165 ( 0.000 2.688 0.000) 2.688 9.213 ( 0.000 -2.180 0.000) 2.180 9.404 ( 0.000 1.111 0.000) 1.111 9.413 ( 0.000 0.303 0.000) 0.303 10.119 ( 0.000 0.702 0.000) 0.702 10.120 ( 0.000 0.277 0.000) 0.277 10.150 ( 0.000 0.311 0.000) 0.311 10.162 ( 0.000 -0.260 0.000) 0.260 10.421 ( 0.000 2.244 0.000) 2.244 10.465 ( 0.000 -1.405 0.000) 1.405 10.491 ( 0.000 -0.641 0.000) 0.641 10.512 ( 0.000 -3.396 0.000) 3.396 10.812 ( 0.000 4.417 0.000) 4.417 10.897 ( 0.000 -4.236 0.000) 4.236 11.023 ( 0.000 2.834 0.000) 2.834 11.049 ( 0.000 -0.323 0.000) 0.323 11.302 ( 0.000 5.053 0.000) 5.053 11.305 ( 0.000 4.195 0.000) 4.195 11.528 ( 0.000 -3.321 0.000) 3.321 11.532 ( 0.000 -4.017 0.000) 4.017 11.565 ( 0.000 6.524 0.000) 6.524 11.666 ( 0.000 -1.419 0.000) 1.419 11.739 ( 0.000 -1.048 0.000) 1.048 11.799 ( 0.000 -4.664 0.000) 4.664 12.264 ( 0.000 0.458 0.000) 0.458 12.276 ( 0.000 -0.826 0.000) 0.826 12.456 ( 0.000 0.755 0.000) 0.755 12.468 ( 0.000 -0.376 0.000) 0.376 13.377 ( 0.000 5.357 0.000) 5.357 13.479 ( 0.000 -4.992 0.000) 4.992 13.761 ( 0.000 1.268 0.000) 1.268 13.782 ( 0.000 -0.884 0.000) 0.884 14.084 ( 0.000 3.860 0.000) 3.860 14.179 ( 0.000 -5.835 0.000) 5.835 14.584 ( 0.000 0.036 0.000) 0.036 14.594 ( 0.000 -0.983 0.000) 0.983 22.642 ( 0.000 8.887 0.000) 8.887 22.774 ( 0.000 -4.629 0.000) 4.629 22.921 ( 0.000 1.474 0.000) 1.474 22.971 ( 0.000 -3.365 0.000) 3.365 23.632 ( 0.000 4.028 0.000) 4.028 23.692 ( 0.000 -2.816 0.000) 2.816 23.800 ( 0.000 2.159 0.000) 2.159 23.869 ( 0.000 -4.078 0.000) 4.078 23.974 ( 0.000 5.525 0.000) 5.525 24.063 ( 0.000 -3.232 0.000) 3.232 24.198 ( 0.000 1.746 0.000) 1.746 24.240 ( 0.000 -2.448 0.000) 2.448 24.425 ( 0.000 1.108 0.000) 1.108 24.446 ( 0.000 -0.746 0.000) 0.746 24.562 ( 0.000 1.297 0.000) 1.297 24.587 ( 0.000 -1.118 0.000) 1.118 24.705 ( 0.000 1.149 0.000) 1.149 24.730 ( 0.000 -1.395 0.000) 1.395 25.100 ( 0.000 2.676 0.000) 2.676 25.164 ( 0.000 -3.760 0.000) 3.760 25.492 ( 0.000 1.827 0.000) 1.827 25.521 ( 0.000 -1.182 0.000) 1.182 26.330 ( 0.000 11.846 0.000) 11.846 26.555 ( 0.000 -11.047 0.000) 11.047 27.165 ( 0.000 -0.064 0.000) 0.064 27.168 ( 0.000 -0.363 0.000) 0.363 27.336 ( 0.000 1.489 0.000) 1.489 27.365 ( 0.000 -1.435 0.000) 1.435 27.680 ( 0.000 4.305 0.000) 4.305 27.769 ( 0.000 -4.757 0.000) 4.757 27.826 ( 0.000 6.746 0.000) 6.746 27.961 ( 0.000 -6.982 0.000) 6.982 ======================= Grid point 22 (14/64) ======================= q-point: ( 0.17 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( 0.149 18.352 0.600) 18.363 1.438 ( 6.388 18.976 5.148) 20.673 1.578 ( 0.124 -13.400 1.106) 13.446 1.767 ( 3.937 -12.103 0.493) 12.737 1.809 ( 3.570 0.463 2.362) 4.306 1.847 ( 5.161 -3.744 5.013) 8.111 2.198 ( -6.154 11.737 0.332) 13.256 2.248 ( -0.640 8.420 2.459) 8.795 2.265 ( 0.225 4.349 0.782) 4.425 2.349 ( -4.469 -3.657 0.986) 5.858 2.467 ( 1.217 0.117 2.148) 2.471 2.514 ( -0.130 -3.021 0.355) 3.044 2.597 ( 3.621 6.439 -1.257) 7.493 2.634 ( 1.322 1.156 -2.006) 2.667 2.765 ( -6.004 3.149 -2.580) 7.254 2.774 ( 1.847 4.897 1.510) 5.447 2.812 ( -3.261 -1.533 -1.780) 4.019 2.861 ( 0.806 -3.217 -2.277) 4.023 2.950 ( 3.998 -1.064 2.223) 4.696 2.991 ( -0.330 -4.161 -2.804) 5.028 3.037 ( -4.455 1.414 1.945) 5.063 3.091 ( -1.328 -3.190 2.599) 4.324 3.164 ( 0.486 2.010 -0.086) 2.069 3.179 ( 1.526 1.375 2.493) 3.230 3.247 ( -0.990 3.068 -4.023) 5.155 3.274 ( -0.042 1.009 -2.447) 2.647 3.310 ( -0.441 2.803 3.067) 4.178 3.405 ( -2.855 -1.653 -3.371) 4.717 3.444 ( 2.020 -3.214 -2.345) 4.462 3.475 ( 1.196 -7.560 2.231) 7.973 3.554 ( 4.467 1.199 -4.374) 6.366 3.598 ( 0.696 -1.689 -2.494) 3.092 3.608 ( -4.074 -0.687 -1.322) 4.338 3.679 ( 2.035 -9.411 -1.236) 9.708 3.739 ( 0.563 3.526 -2.103) 4.144 3.775 ( 4.539 0.422 -1.452) 4.785 3.935 ( 2.871 -0.284 2.668) 3.930 3.962 ( 2.296 -3.204 4.067) 5.664 4.197 ( -3.145 3.597 3.603) 5.984 4.209 ( -1.189 1.032 0.623) 1.693 4.249 ( -2.346 2.542 -2.271) 4.138 4.287 ( -2.088 -1.894 -2.775) 3.956 4.347 ( -1.526 0.958 -1.637) 2.434 4.378 ( -0.263 -1.994 5.452) 5.811 4.420 ( 2.369 2.180 -3.077) 4.454 4.446 ( 0.193 0.612 -5.119) 5.159 4.497 ( 0.800 2.125 0.562) 2.339 4.526 ( 0.043 0.104 -0.193) 0.223 4.550 ( 0.726 3.063 -2.671) 4.128 4.596 ( 0.858 0.659 4.200) 4.337 4.637 ( -0.462 1.290 2.893) 3.201 4.755 ( -0.147 -6.339 2.205) 6.713 4.868 ( -0.265 1.120 -2.160) 2.448 4.886 ( 0.394 -0.525 -4.240) 4.290 5.079 ( -0.347 1.702 -1.754) 2.469 5.096 ( -1.767 0.450 -4.086) 4.474 5.174 ( 0.657 1.762 1.920) 2.688 5.232 ( -2.826 -2.863 -0.951) 4.134 5.309 ( 2.770 5.382 3.664) 7.075 5.331 ( 0.705 0.600 2.217) 2.402 5.369 ( 0.344 -1.672 0.189) 1.717 5.467 ( 3.780 -8.990 5.745) 11.319 5.899 ( -0.579 1.436 -1.087) 1.892 5.926 ( -0.413 -0.943 -0.746) 1.271 6.291 ( -1.437 3.377 -0.021) 3.670 6.360 ( -1.771 -3.424 0.058) 3.855 6.590 ( -0.693 5.949 0.461) 6.007 6.674 ( -0.509 -1.412 0.356) 1.542 6.795 ( -1.317 -0.149 0.674) 1.487 6.820 ( -0.309 -2.552 -1.545) 2.999 7.067 ( -0.590 2.243 0.448) 2.362 7.091 ( -0.884 -0.322 0.308) 0.990 8.749 ( -2.153 2.661 0.610) 3.477 8.811 ( 0.012 -3.310 0.159) 3.314 8.884 ( -2.841 2.284 -0.356) 3.662 8.950 ( -0.892 -4.078 -0.424) 4.196 9.132 ( -2.577 1.989 0.760) 3.343 9.173 ( -3.249 -2.115 0.163) 3.880 9.427 ( 1.975 1.505 -0.196) 2.491 9.443 ( 2.078 -0.022 0.353) 2.108 10.121 ( 0.185 1.140 -0.680) 1.340 10.131 ( 1.064 0.205 0.282) 1.120 10.161 ( 0.839 0.441 -0.588) 1.116 10.175 ( 1.509 -0.609 0.854) 1.838 10.401 ( -1.891 2.303 -0.303) 2.995 10.450 ( -1.552 -1.740 -0.042) 2.332 10.498 ( 0.072 -1.175 -0.179) 1.190 10.510 ( 0.772 -2.011 -0.424) 2.196 10.822 ( 0.807 3.660 -0.553) 3.789 10.890 ( -0.846 -3.140 0.150) 3.255 10.987 ( -3.188 2.193 0.318) 3.882 11.009 ( -3.288 -0.252 -0.055) 3.298 11.238 ( -2.899 6.896 1.147) 7.568 11.329 ( -1.390 -1.559 0.203) 2.098 11.495 ( 0.404 5.129 -0.540) 5.173 11.572 ( 2.458 -1.372 -0.746) 2.912 11.646 ( 4.895 -0.934 1.000) 5.082 11.679 ( 1.447 -1.569 -0.971) 2.344 11.750 ( 1.249 -0.682 0.494) 1.507 11.804 ( 0.622 -4.385 -1.268) 4.607 12.241 ( -1.713 0.106 -0.156) 1.724 12.249 ( -1.971 -0.574 -1.212) 2.384 12.487 ( 2.376 0.810 -0.150) 2.514 12.495 ( 2.135 0.076 -1.383) 2.545 13.393 ( 1.440 3.996 2.989) 5.194 13.482 ( 0.203 -4.763 1.453) 4.983 13.766 ( 0.517 1.365 1.169) 1.870 13.789 ( 0.647 -0.987 1.691) 2.062 14.078 ( -0.598 3.544 -1.125) 3.767 14.168 ( -1.100 -5.633 -1.024) 5.830 14.599 ( 1.600 0.519 0.020) 1.682 14.616 ( 1.980 -1.129 -0.209) 2.289 22.640 ( -0.210 8.865 -0.020) 8.867 22.772 ( -0.232 -4.581 0.064) 4.587 22.912 ( -0.936 1.954 0.265) 2.183 22.967 ( -0.393 -3.475 0.176) 3.502 23.601 ( -3.231 5.093 -1.082) 6.127 23.669 ( -2.018 -2.400 -1.153) 3.341 23.808 ( 0.470 2.136 0.713) 2.301 23.863 ( -0.420 -2.251 -1.717) 2.862 23.956 ( -1.182 2.825 2.509) 3.959 24.024 ( -3.496 -2.973 2.112) 5.052 24.222 ( 2.081 1.828 0.990) 2.942 24.257 ( 1.634 -1.631 0.434) 2.349 24.426 ( 0.176 1.066 -1.982) 2.257 24.447 ( -0.008 -0.790 -1.856) 2.017 24.551 ( -0.992 0.937 0.663) 1.517 24.566 ( -1.879 -0.378 0.568) 1.999 24.702 ( -0.303 1.372 0.189) 1.417 24.732 ( 0.172 -1.687 0.133) 1.701 25.100 ( 0.105 3.487 -0.322) 3.503 25.176 ( 1.077 -4.326 -1.238) 4.627 25.492 ( 0.077 2.097 -1.145) 2.391 25.527 ( 0.524 -1.471 -1.453) 2.133 26.313 ( -1.665 11.281 0.928) 11.440 26.521 ( -2.940 -9.757 0.828) 10.224 27.168 ( 1.322 1.414 -0.286) 1.957 27.209 ( 2.725 -2.770 -0.689) 3.946 27.338 ( 0.115 1.302 0.287) 1.339 27.362 ( -0.408 -1.234 0.572) 1.420 27.691 ( 0.997 3.000 1.407) 3.460 27.748 ( -1.371 -1.387 0.477) 2.008 27.858 ( 2.578 2.920 -0.783) 3.974 27.964 ( 0.330 -6.477 -0.463) 6.502 ======================= Grid point 23 (15/64) ======================= q-point: ( 0.33 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( 0.220 15.639 -0.201) 15.642 1.558 ( 1.600 -7.513 0.000) 7.682 1.609 ( 5.963 8.731 6.968) 12.663 1.854 ( 4.892 -6.105 -1.065) 7.896 1.919 ( 5.546 2.602 4.120) 7.382 1.965 ( 6.406 -5.813 9.277) 12.685 2.118 ( 0.233 6.357 1.790) 6.608 2.200 ( -3.911 4.004 0.508) 5.620 2.234 ( -1.680 4.705 -0.666) 5.040 2.306 ( -1.149 -0.799 1.881) 2.345 2.476 ( -4.374 1.189 0.131) 4.535 2.505 ( -3.444 -0.812 -2.554) 4.364 2.585 ( -0.307 4.818 -1.348) 5.012 2.627 ( -5.241 4.859 -0.443) 7.160 2.658 ( -1.603 -0.908 -4.434) 4.802 2.730 ( -3.487 -3.731 0.549) 5.136 2.763 ( -2.606 7.591 -1.627) 8.190 2.921 ( 3.544 -4.357 -1.687) 5.864 2.964 ( 1.109 2.103 -1.016) 2.586 3.008 ( 3.223 2.822 6.306) 7.624 3.048 ( 0.306 -2.473 -2.499) 3.529 3.080 ( 4.196 -2.292 3.334) 5.828 3.167 ( 0.592 3.495 -1.337) 3.788 3.206 ( -0.845 -0.765 -3.052) 3.258 3.241 ( -1.106 -2.084 1.692) 2.903 3.283 ( -0.846 0.107 -3.750) 3.846 3.296 ( 0.222 1.151 1.340) 1.780 3.361 ( 0.038 -0.386 -0.542) 0.666 3.450 ( -3.557 1.448 -1.868) 4.271 3.506 ( 0.289 -4.297 1.414) 4.533 3.559 ( 2.458 -3.460 1.111) 4.387 3.610 ( 1.468 -8.184 -0.075) 8.315 3.662 ( 5.911 2.140 -2.196) 6.659 3.704 ( 1.415 2.419 -5.206) 5.912 3.784 ( 3.396 -1.977 -0.216) 3.935 3.828 ( 0.989 -0.797 -1.808) 2.209 3.980 ( -0.995 1.456 -0.195) 1.774 3.984 ( -0.695 -0.701 2.390) 2.586 4.119 ( -5.272 1.661 0.957) 5.609 4.169 ( 0.402 -1.103 2.477) 2.742 4.196 ( -2.316 -1.871 -1.629) 3.394 4.242 ( -2.488 -4.305 -2.647) 5.633 4.339 ( 0.942 4.165 1.577) 4.552 4.382 ( -0.105 1.235 2.316) 2.627 4.458 ( 1.062 2.390 -5.332) 5.939 4.467 ( 1.831 0.546 -1.238) 2.277 4.509 ( -0.032 0.670 0.975) 1.184 4.513 ( -0.208 1.442 0.707) 1.619 4.565 ( 0.444 2.886 -0.737) 3.011 4.613 ( -0.389 -1.829 0.085) 1.872 4.631 ( 0.609 4.711 1.677) 5.038 4.758 ( 0.269 -6.421 1.934) 6.712 4.846 ( -1.372 2.562 -3.488) 4.540 4.887 ( 0.086 -1.820 -2.557) 3.140 5.085 ( 1.139 1.103 -2.842) 3.255 5.094 ( 1.582 0.047 -0.425) 1.638 5.164 ( -1.774 1.411 3.806) 4.430 5.201 ( -0.689 -2.674 0.777) 2.869 5.344 ( 0.577 1.420 0.408) 1.586 5.364 ( 2.296 6.455 2.640) 7.342 5.383 ( 0.997 -1.894 0.334) 2.166 5.521 ( 1.711 -8.665 3.784) 9.609 5.883 ( -0.901 0.846 -1.055) 1.625 5.911 ( -1.062 -2.021 -0.778) 2.412 6.264 ( -1.193 2.960 0.028) 3.191 6.320 ( -2.022 -2.727 0.026) 3.395 6.577 ( -0.550 5.212 0.372) 5.254 6.661 ( -0.749 -2.478 0.514) 2.639 6.774 ( -0.798 1.336 0.070) 1.558 6.809 ( -0.646 -1.963 -1.043) 2.314 7.056 ( -0.475 1.687 0.450) 1.809 7.072 ( -1.012 -0.157 0.308) 1.070 8.706 ( -2.102 2.995 0.816) 3.749 8.769 ( -3.313 -2.973 0.433) 4.473 8.863 ( 0.152 2.363 -0.584) 2.439 8.934 ( -0.368 -4.450 -1.156) 4.612 9.092 ( -1.554 0.918 0.880) 2.008 9.120 ( -2.047 -1.829 0.248) 2.756 9.459 ( 1.157 1.449 -0.033) 1.855 9.473 ( 1.032 0.075 0.345) 1.091 10.122 ( -0.092 1.798 -0.462) 1.859 10.150 ( 0.571 -0.983 -0.678) 1.323 10.179 ( 1.149 2.064 0.487) 2.412 10.211 ( 1.902 -1.186 1.026) 2.465 10.362 ( -1.853 1.776 -0.443) 2.605 10.407 ( -2.595 -2.300 -0.231) 3.475 10.506 ( 0.891 0.594 -0.247) 1.099 10.535 ( 1.399 -1.887 -0.275) 2.365 10.830 ( -0.095 2.028 -0.745) 2.162 10.861 ( -2.138 -0.850 -0.233) 2.312 10.935 ( -1.421 1.689 0.298) 2.227 10.959 ( -1.988 -0.823 0.571) 2.226 11.198 ( -1.333 6.412 0.298) 6.556 11.285 ( -2.165 -1.772 0.308) 2.814 11.530 ( 2.441 5.689 -0.076) 6.191 11.594 ( -0.163 2.013 -0.445) 2.068 11.691 ( 1.050 -4.385 -1.471) 4.743 11.732 ( 2.217 -4.642 2.637) 5.781 11.785 ( 2.306 0.950 -0.348) 2.518 11.820 ( 0.903 -2.620 -1.774) 3.291 12.218 ( -0.694 -0.365 0.019) 0.784 12.221 ( -0.760 -0.578 -0.746) 1.212 12.520 ( 0.954 1.585 -0.895) 2.055 12.529 ( 1.430 0.457 -0.956) 1.780 13.423 ( 1.263 1.878 2.612) 3.456 13.487 ( 0.200 -4.227 1.304) 4.428 13.781 ( 0.876 1.462 1.450) 2.238 13.806 ( 0.909 -1.102 2.027) 2.480 14.062 ( -0.870 2.824 -1.483) 3.306 14.141 ( -1.505 -5.133 -1.282) 5.501 14.635 ( 1.813 0.972 -0.033) 2.057 14.653 ( 1.622 -0.913 0.003) 1.862 22.636 ( -0.197 8.837 -0.017) 8.839 22.768 ( -0.115 -4.641 0.089) 4.643 22.889 ( -1.340 3.430 0.193) 3.688 22.958 ( -0.462 -3.784 0.174) 3.816 23.528 ( -3.543 7.398 -0.825) 8.244 23.629 ( -1.906 -3.252 -1.024) 3.906 23.809 ( -0.315 3.714 0.466) 3.757 23.867 ( 1.047 -1.536 -1.828) 2.607 23.943 ( -0.826 -0.660 2.164) 2.408 23.963 ( -2.331 -1.955 2.306) 3.817 24.263 ( 1.903 1.837 0.588) 2.709 24.292 ( 1.677 -0.970 0.228) 1.950 24.429 ( 0.292 0.534 -1.665) 1.773 24.441 ( -0.445 -0.425 -1.834) 1.934 24.530 ( -1.576 0.542 0.739) 1.824 24.532 ( -1.084 0.235 0.685) 1.303 24.696 ( -0.238 1.768 0.122) 1.788 24.736 ( 0.145 -2.180 0.246) 2.199 25.104 ( 0.340 4.366 -0.405) 4.398 25.195 ( 0.851 -4.907 -1.095) 5.099 25.494 ( 0.149 2.430 -1.044) 2.649 25.536 ( 0.455 -1.881 -1.234) 2.295 26.278 ( -1.793 10.664 0.847) 10.847 26.469 ( -2.251 -8.788 1.159) 9.146 27.205 ( 2.219 1.689 -0.675) 2.870 27.254 ( 1.964 -3.223 -1.073) 3.924 27.337 ( -0.234 0.507 0.551) 0.784 27.346 ( -1.308 -0.451 0.689) 1.546 27.709 ( 0.653 1.354 1.251) 1.956 27.730 ( -0.573 0.424 0.291) 0.770 27.904 ( 2.046 -0.193 -0.360) 2.086 27.969 ( 0.155 -5.434 -0.513) 5.461 ======================= Grid point 24 (16/64) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( 0.000 13.985 -0.000) 13.985 1.559 ( 0.000 -15.499 0.000) 15.499 1.693 ( 0.000 14.848 0.000) 14.848 1.922 ( 0.000 -6.497 -0.000) 6.497 1.936 ( -0.000 6.511 -0.000) 6.511 2.067 ( 0.000 -7.628 -0.000) 7.628 2.165 ( 0.000 7.631 0.000) 7.631 2.182 ( 0.000 2.287 0.000) 2.287 2.229 ( -0.000 5.470 -0.000) 5.470 2.274 ( 0.000 0.971 0.000) 0.971 2.364 ( 0.000 1.693 -0.000) 1.693 2.430 ( 0.000 -3.120 -0.000) 3.120 2.551 ( 0.000 4.618 -0.000) 4.618 2.614 ( -0.000 -2.441 0.000) 2.441 2.642 ( 0.000 3.371 0.000) 3.371 2.690 ( 0.000 -1.211 -0.000) 1.211 2.739 ( 0.000 7.678 0.000) 7.678 2.961 ( -0.000 -0.100 -0.000) 0.100 2.976 ( 0.000 -2.591 0.000) 2.591 3.055 ( 0.000 -0.753 -0.000) 0.753 3.081 ( -0.000 4.067 0.000) 4.067 3.143 ( 0.000 -0.574 -0.000) 0.574 3.167 ( 0.000 -0.864 0.000) 0.864 3.176 ( 0.000 0.228 -0.000) 0.228 3.219 ( -0.000 -1.538 -0.000) 1.538 3.256 ( 0.000 -4.608 -0.000) 4.608 3.338 ( -0.000 0.450 -0.000) 0.450 3.346 ( 0.000 0.844 0.000) 0.844 3.388 ( 0.000 3.045 0.000) 3.045 3.489 ( 0.000 -6.225 -0.000) 6.225 3.624 ( 0.000 -3.302 -0.000) 3.302 3.643 ( 0.000 -6.383 0.000) 6.383 3.720 ( 0.000 5.045 -0.000) 5.045 3.751 ( -0.000 3.594 0.000) 3.594 3.796 ( 0.000 3.751 -0.000) 3.751 3.831 ( 0.000 -0.650 -0.000) 0.650 3.932 ( 0.000 -3.550 0.000) 3.550 3.967 ( 0.000 -6.413 -0.000) 6.413 4.065 ( 0.000 5.929 0.000) 5.929 4.159 ( 0.000 -0.080 0.000) 0.080 4.201 ( 0.000 -3.236 -0.000) 3.236 4.223 ( 0.000 -7.811 0.000) 7.811 4.359 ( 0.000 4.868 -0.000) 4.868 4.371 ( 0.000 3.669 -0.000) 3.669 4.470 ( 0.000 2.909 0.000) 2.909 4.477 ( 0.000 1.950 -0.000) 1.950 4.506 ( 0.000 0.470 -0.000) 0.470 4.517 ( -0.000 -0.544 -0.000) 0.544 4.571 ( 0.000 1.271 0.000) 1.271 4.596 ( 0.000 -1.151 0.000) 1.151 4.646 ( 0.000 5.400 0.000) 5.400 4.762 ( 0.000 -5.641 -0.000) 5.641 4.832 ( 0.000 3.012 0.000) 3.012 4.888 ( 0.000 -2.755 -0.000) 2.755 5.110 ( 0.000 0.648 -0.000) 0.648 5.116 ( -0.000 0.080 0.000) 0.080 5.136 ( -0.000 1.973 0.000) 1.973 5.192 ( 0.000 -3.667 -0.000) 3.667 5.350 ( 0.000 1.793 -0.000) 1.793 5.385 ( 0.000 5.097 0.000) 5.097 5.397 ( 0.000 -0.432 0.000) 0.432 5.538 ( 0.000 -7.822 0.000) 7.822 5.873 ( 0.000 0.369 -0.000) 0.369 5.897 ( 0.000 -2.515 -0.000) 2.515 6.253 ( 0.000 2.530 -0.000) 2.530 6.298 ( 0.000 -2.130 -0.000) 2.130 6.572 ( 0.000 4.826 -0.000) 4.826 6.653 ( 0.000 -2.806 -0.000) 2.806 6.767 ( 0.000 1.737 -0.000) 1.737 6.801 ( 0.000 -1.449 -0.000) 1.449 7.053 ( 0.000 1.188 -0.000) 1.188 7.060 ( 0.000 0.048 0.000) 0.048 8.684 ( 0.000 2.640 -0.000) 2.640 8.733 ( 0.000 -1.665 -0.000) 1.665 8.865 ( 0.000 1.642 -0.000) 1.642 8.933 ( 0.000 -4.794 -0.000) 4.794 9.077 ( 0.000 0.668 -0.000) 0.668 9.100 ( 0.000 -1.681 -0.000) 1.681 9.469 ( 0.000 1.364 0.000) 1.364 9.483 ( 0.000 0.193 -0.000) 0.193 10.120 ( 0.000 1.988 0.000) 1.988 10.153 ( 0.000 -1.355 -0.000) 1.355 10.194 ( 0.000 2.699 0.000) 2.699 10.233 ( 0.000 -0.938 0.000) 0.938 10.343 ( 0.000 0.718 -0.000) 0.718 10.376 ( 0.000 -1.932 -0.000) 1.932 10.518 ( -0.000 1.068 -0.000) 1.068 10.550 ( 0.000 -1.767 0.000) 1.767 10.829 ( -0.000 0.834 0.000) 0.834 10.832 ( 0.000 0.594 -0.000) 0.594 10.932 ( -0.000 0.226 0.000) 0.226 10.933 ( 0.000 0.151 -0.000) 0.151 11.186 ( 0.000 6.027 -0.000) 6.027 11.264 ( 0.000 -1.188 0.000) 1.188 11.570 ( -0.000 2.882 -0.000) 2.882 11.575 ( 0.000 5.777 0.000) 5.777 11.701 ( 0.000 -4.980 0.000) 4.980 11.749 ( 0.000 -6.602 -0.000) 6.602 11.817 ( -0.000 0.455 -0.000) 0.455 11.825 ( 0.000 -0.756 0.000) 0.756 12.212 ( 0.000 -0.294 -0.000) 0.294 12.216 ( 0.000 -0.913 0.000) 0.913 12.528 ( 0.000 2.187 0.000) 2.187 12.543 ( 0.000 0.391 -0.000) 0.391 13.436 ( 0.000 1.091 -0.000) 1.091 13.489 ( 0.000 -3.936 0.000) 3.936 13.792 ( 0.000 1.466 -0.000) 1.466 13.817 ( 0.000 -1.132 -0.000) 1.132 14.052 ( 0.000 2.397 0.000) 2.397 14.123 ( 0.000 -4.807 -0.000) 4.807 14.654 ( 0.000 0.994 0.000) 0.994 14.669 ( 0.000 -0.610 -0.000) 0.610 22.634 ( 0.000 8.834 0.000) 8.834 22.768 ( 0.000 -4.861 -0.000) 4.861 22.873 ( 0.000 4.539 0.000) 4.539 22.953 ( 0.000 -3.987 -0.000) 3.987 23.492 ( 0.000 8.108 -0.000) 8.108 23.608 ( 0.000 -3.925 0.000) 3.925 23.805 ( 0.000 4.455 -0.000) 4.455 23.885 ( 0.000 -3.209 -0.000) 3.209 23.920 ( -0.000 0.885 0.000) 0.885 23.951 ( 0.000 -2.464 -0.000) 2.464 24.283 ( 0.000 1.830 0.000) 1.830 24.310 ( 0.000 -0.809 -0.000) 0.809 24.433 ( 0.000 -0.048 0.000) 0.048 24.435 ( 0.000 0.019 -0.000) 0.019 24.512 ( 0.000 0.947 0.000) 0.947 24.522 ( 0.000 -0.121 -0.000) 0.121 24.694 ( 0.000 1.940 0.000) 1.940 24.737 ( 0.000 -2.389 0.000) 2.389 25.108 ( 0.000 4.644 -0.000) 4.644 25.203 ( 0.000 -5.086 0.000) 5.086 25.495 ( 0.000 2.546 -0.000) 2.546 25.540 ( 0.000 -2.045 -0.000) 2.045 26.259 ( 0.000 10.491 0.000) 10.491 26.447 ( 0.000 -8.649 -0.000) 8.649 27.232 ( 0.000 1.460 0.000) 1.460 27.275 ( 0.000 -2.689 0.000) 2.689 27.328 ( 0.000 0.158 -0.000) 0.158 27.333 ( 0.000 -0.251 -0.000) 0.251 27.716 ( 0.000 0.901 0.000) 0.901 27.725 ( 0.000 1.033 -0.000) 1.033 27.925 ( 0.000 -1.591 0.000) 1.591 27.970 ( 0.000 -4.794 -0.000) 4.794 ======================= Grid point 49 (17/64) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.447 ( -8.013 0.000 24.607) 25.879 0.449 ( 1.887 0.000 24.515) 24.588 0.864 ( 9.411 0.000 46.248) 47.196 1.617 ( -0.786 0.000 -15.841) 15.860 1.637 ( 12.362 0.000 -15.944) 20.175 1.875 ( -0.505 0.000 2.640) 2.688 1.909 ( 0.280 0.000 0.471) 0.548 2.106 ( -5.072 0.000 4.276) 6.634 2.246 ( -2.288 0.000 10.447) 10.695 2.345 ( 0.712 0.000 -0.192) 0.737 2.389 ( 2.634 0.000 -0.626) 2.707 2.404 ( 1.389 0.000 2.922) 3.235 2.493 ( 2.516 0.000 4.041) 4.760 2.514 ( 4.269 0.000 9.610) 10.516 2.679 ( 6.838 0.000 -1.589) 7.020 2.821 ( 2.444 0.000 0.040) 2.444 2.895 ( 3.662 0.000 -3.427) 5.015 2.932 ( -4.088 0.000 7.801) 8.807 2.959 ( -5.487 0.000 1.601) 5.716 3.031 ( -0.758 0.000 -3.330) 3.416 3.062 ( -0.332 0.000 -5.105) 5.115 3.092 ( -1.472 0.000 -0.537) 1.567 3.100 ( -5.268 0.000 -5.598) 7.686 3.178 ( -1.621 0.000 -6.492) 6.691 3.252 ( -3.435 0.000 -2.826) 4.448 3.325 ( -2.740 0.000 -0.853) 2.870 3.330 ( -1.525 0.000 -1.989) 2.506 3.437 ( 2.369 0.000 0.794) 2.498 3.465 ( -1.014 0.000 2.446) 2.648 3.482 ( -9.489 0.000 2.862) 9.911 3.607 ( 6.252 0.000 0.697) 6.290 3.674 ( -0.616 0.000 1.193) 1.343 3.707 ( -3.278 0.000 -3.187) 4.572 3.783 ( -4.724 0.000 0.980) 4.825 3.835 ( 0.058 0.000 -1.117) 1.119 3.872 ( 4.370 0.000 -7.324) 8.528 3.895 ( -1.627 0.000 -3.116) 3.515 3.999 ( -4.285 0.000 -2.310) 4.868 4.111 ( -0.979 0.000 -6.184) 6.261 4.149 ( 6.333 0.000 3.737) 7.354 4.181 ( -0.170 0.000 -10.560) 10.561 4.191 ( 2.848 0.000 4.010) 4.918 4.271 ( -1.111 0.000 -2.432) 2.674 4.351 ( -0.933 0.000 4.383) 4.482 4.395 ( -1.225 0.000 0.021) 1.225 4.419 ( -0.744 0.000 0.145) 0.758 4.443 ( -0.685 0.000 3.391) 3.460 4.500 ( -0.048 0.000 4.422) 4.423 4.507 ( 3.286 0.000 -0.716) 3.363 4.646 ( 1.123 0.000 -0.502) 1.230 4.746 ( -0.553 0.000 -1.372) 1.479 4.776 ( -3.098 0.000 5.788) 6.565 4.823 ( -0.343 0.000 -2.980) 3.000 4.837 ( 0.409 0.000 3.368) 3.393 5.012 ( -0.162 0.000 1.785) 1.792 5.115 ( 0.423 0.000 -1.407) 1.469 5.142 ( -0.237 0.000 -1.761) 1.777 5.260 ( -2.046 0.000 -6.116) 6.449 5.311 ( 1.836 0.000 5.241) 5.553 5.428 ( 0.034 0.000 1.723) 1.723 5.563 ( -10.668 0.000 1.791) 10.818 5.621 ( 0.781 0.000 -5.082) 5.142 5.870 ( -0.391 0.000 7.378) 7.388 6.177 ( 21.420 0.000 -1.638) 21.482 6.299 ( -0.960 0.000 -2.625) 2.795 6.384 ( 12.550 0.000 -7.369) 14.554 6.479 ( 0.431 0.000 7.314) 7.326 6.611 ( 0.456 0.000 4.921) 4.942 6.789 ( 1.800 0.000 -1.540) 2.369 6.865 ( 0.353 0.000 -3.762) 3.778 7.002 ( -2.022 0.000 1.523) 2.531 7.160 ( -2.740 0.000 -2.714) 3.857 8.746 ( -0.370 0.000 0.500) 0.622 8.782 ( 0.037 0.000 -0.338) 0.340 9.002 ( -0.466 0.000 0.724) 0.861 9.044 ( 0.328 0.000 -0.293) 0.440 9.117 ( 0.897 0.000 1.245) 1.534 9.257 ( -2.899 0.000 -2.104) 3.582 9.310 ( 2.369 0.000 1.320) 2.712 9.450 ( 0.030 0.000 -2.019) 2.019 10.053 ( 0.304 0.000 0.908) 0.957 10.072 ( 0.711 0.000 0.299) 0.771 10.116 ( 1.596 0.000 1.885) 2.470 10.289 ( -2.843 0.000 -2.997) 4.131 10.437 ( 1.564 0.000 2.510) 2.958 10.527 ( -0.998 0.000 -1.761) 2.024 10.552 ( 1.358 0.000 1.055) 1.720 10.610 ( -17.019 0.000 1.354) 17.073 10.760 ( -0.619 0.000 1.632) 1.746 10.787 ( 0.697 0.000 -0.858) 1.105 10.806 ( 0.484 0.000 -0.847) 0.976 10.947 ( 0.948 0.000 -2.453) 2.630 11.054 ( -0.642 0.000 1.143) 1.311 11.100 ( -0.620 0.000 0.524) 0.812 11.320 ( -9.328 0.000 -1.657) 9.474 11.344 ( -0.958 0.000 0.100) 0.963 11.579 ( 0.930 0.000 -0.845) 1.257 11.681 ( 0.251 0.000 -2.292) 2.305 11.920 ( 0.025 0.000 2.950) 2.950 11.990 ( -0.457 0.000 0.706) 0.841 12.272 ( 0.041 0.000 -0.252) 0.256 12.301 ( -6.170 0.000 -1.729) 6.408 12.382 ( -1.889 0.000 2.071) 2.803 12.428 ( 0.556 0.000 0.256) 0.612 13.601 ( 1.545 0.000 1.111) 1.904 13.692 ( -1.963 0.000 -1.267) 2.337 13.813 ( 2.915 0.000 0.891) 3.048 13.971 ( -3.043 0.000 -3.725) 4.810 14.379 ( 40.695 0.000 3.000) 40.806 14.451 ( -2.117 0.000 0.507) 2.177 14.595 ( -3.074 0.000 -0.151) 3.077 14.612 ( 4.790 0.000 -0.551) 4.822 22.215 ( 0.014 0.000 0.286) 0.287 22.238 ( -0.003 0.000 -0.295) 0.295 22.965 ( -0.157 0.000 0.813) 0.828 23.014 ( 2.905 0.000 -0.434) 2.937 23.169 ( -0.117 0.000 1.351) 1.356 23.330 ( 0.333 0.000 -3.001) 3.019 23.797 ( 0.293 0.000 0.664) 0.725 23.877 ( -0.524 0.000 -1.723) 1.801 23.977 ( 4.533 0.000 1.795) 4.875 24.100 ( -0.055 0.000 -1.604) 1.605 24.172 ( -0.236 0.000 0.986) 1.014 24.211 ( -0.137 0.000 -0.216) 0.256 24.397 ( -1.280 0.000 -1.510) 1.979 24.430 ( 0.837 0.000 -1.277) 1.527 24.542 ( 0.431 0.000 3.525) 3.551 24.570 ( -1.195 0.000 1.010) 1.564 24.804 ( -2.193 0.000 2.416) 3.263 24.942 ( 0.866 0.000 -1.260) 1.529 25.056 ( 6.787 0.000 2.610) 7.272 25.305 ( -2.469 0.000 -2.980) 3.870 25.445 ( -0.287 0.000 4.579) 4.588 25.837 ( 0.127 0.000 -5.292) 5.293 26.612 ( -41.038 0.000 1.213) 41.056 26.722 ( 6.312 0.000 -1.698) 6.536 27.178 ( -2.756 0.000 -1.479) 3.128 27.184 ( -1.496 0.000 -1.246) 1.947 27.271 ( -5.328 0.000 2.276) 5.794 27.392 ( 1.415 0.000 -0.560) 1.522 27.641 ( -2.589 0.000 3.339) 4.225 27.770 ( 26.569 0.000 -0.912) 26.585 27.834 ( 0.033 0.000 3.533) 3.533 28.174 ( 0.092 0.000 -4.374) 4.374 ======================= Grid point 50 (18/64) ======================= q-point: ( 0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.552 ( 16.647 0.000 8.024) 18.480 0.593 ( 10.861 0.000 19.876) 22.650 1.118 ( 11.631 0.000 37.859) 39.605 1.633 ( 3.803 0.000 -15.617) 16.073 1.797 ( 3.697 0.000 -9.752) 10.429 1.865 ( -0.943 0.000 2.168) 2.365 1.952 ( 3.819 0.000 0.823) 3.907 2.038 ( -3.125 0.000 0.401) 3.151 2.186 ( -4.199 0.000 6.615) 7.835 2.312 ( -3.808 0.000 -6.765) 7.763 2.370 ( -3.346 0.000 5.463) 6.407 2.390 ( -2.700 0.000 -1.378) 3.032 2.548 ( 3.890 0.000 6.372) 7.465 2.549 ( -2.895 0.000 6.649) 7.252 2.800 ( -6.490 0.000 -0.744) 6.532 2.804 ( -6.848 0.000 3.448) 7.667 2.849 ( -0.580 0.000 4.677) 4.712 2.874 ( 8.756 0.000 -0.813) 8.794 2.931 ( -0.779 0.000 -3.099) 3.196 2.984 ( -1.059 0.000 -2.245) 2.482 3.060 ( 1.539 0.000 -2.802) 3.197 3.071 ( 1.411 0.000 1.275) 1.902 3.123 ( 6.453 0.000 -1.093) 6.544 3.200 ( 3.854 0.000 -5.955) 7.094 3.237 ( -7.317 0.000 2.578) 7.758 3.322 ( -0.659 0.000 -3.614) 3.674 3.326 ( 4.615 0.000 -3.527) 5.808 3.391 ( -0.620 0.000 1.427) 1.556 3.456 ( 2.241 0.000 0.268) 2.257 3.484 ( 1.194 0.000 -0.217) 1.214 3.639 ( -0.156 0.000 -2.133) 2.139 3.647 ( -3.038 0.000 -4.110) 5.111 3.663 ( -0.529 0.000 0.549) 0.762 3.807 ( 4.548 0.000 2.396) 5.141 3.830 ( -0.285 0.000 -2.006) 2.026 3.844 ( -4.016 0.000 -2.297) 4.627 3.944 ( -0.893 0.000 -2.153) 2.331 3.954 ( 4.297 0.000 -5.432) 6.926 4.105 ( 0.707 0.000 -5.157) 5.206 4.157 ( -1.575 0.000 -5.912) 6.118 4.192 ( 1.843 0.000 3.460) 3.921 4.238 ( -2.163 0.000 -1.600) 2.690 4.300 ( 1.725 0.000 0.475) 1.789 4.349 ( 0.480 0.000 0.067) 0.485 4.387 ( 1.879 0.000 3.487) 3.961 4.404 ( -0.919 0.000 1.650) 1.889 4.427 ( -0.246 0.000 -0.893) 0.926 4.504 ( 0.041 0.000 2.861) 2.861 4.545 ( 0.813 0.000 1.090) 1.360 4.659 ( 0.575 0.000 0.397) 0.699 4.696 ( -5.200 0.000 5.227) 7.373 4.746 ( 0.349 0.000 -0.138) 0.376 4.847 ( 2.704 0.000 -2.926) 3.984 4.867 ( 1.989 0.000 2.147) 2.927 5.014 ( 0.591 0.000 0.541) 0.801 5.121 ( 0.172 0.000 -0.269) 0.319 5.162 ( 2.095 0.000 -1.400) 2.520 5.213 ( -3.182 0.000 1.648) 3.584 5.344 ( 1.145 0.000 4.972) 5.103 5.379 ( -3.142 0.000 7.260) 7.911 5.480 ( 1.042 0.000 2.563) 2.767 5.639 ( 1.211 0.000 -4.587) 4.744 5.841 ( -2.718 0.000 4.996) 5.688 6.252 ( -2.693 0.000 -3.043) 4.063 6.284 ( -0.392 0.000 -2.667) 2.696 6.442 ( -7.128 0.000 -5.246) 8.851 6.485 ( -0.238 0.000 6.933) 6.937 6.576 ( -5.894 0.000 2.836) 6.540 6.811 ( 0.607 0.000 0.023) 0.607 6.870 ( 0.436 0.000 -3.901) 3.925 6.927 ( -5.610 0.000 -0.080) 5.611 7.088 ( 0.443 0.000 -0.607) 0.752 8.704 ( -3.391 0.000 0.192) 3.396 8.726 ( -4.377 0.000 1.072) 4.506 9.026 ( 2.261 0.000 0.211) 2.271 9.069 ( 1.903 0.000 -0.068) 1.904 9.103 ( -2.100 0.000 1.939) 2.858 9.202 ( -2.437 0.000 -2.458) 3.461 9.343 ( 0.937 0.000 1.233) 1.549 9.441 ( 0.352 0.000 0.234) 0.423 10.044 ( -0.794 0.000 -0.783) 1.115 10.083 ( 0.295 0.000 0.509) 0.588 10.155 ( 0.071 0.000 3.529) 3.530 10.238 ( -1.890 0.000 -3.231) 3.743 10.437 ( 2.428 0.000 -1.787) 3.015 10.445 ( -1.004 0.000 0.886) 1.339 10.549 ( 0.419 0.000 -1.431) 1.491 10.570 ( 0.262 0.000 3.411) 3.421 10.763 ( 0.316 0.000 1.769) 1.797 10.765 ( -2.077 0.000 0.111) 2.080 10.803 ( -0.780 0.000 -1.570) 1.753 10.936 ( -2.728 0.000 -2.207) 3.509 11.063 ( 2.353 0.000 1.519) 2.801 11.091 ( -0.616 0.000 0.387) 0.727 11.313 ( 4.257 0.000 -3.274) 5.370 11.349 ( 1.054 0.000 -0.895) 1.383 11.645 ( 5.254 0.000 -0.313) 5.263 11.725 ( 3.370 0.000 -2.378) 4.124 11.940 ( 1.460 0.000 3.523) 3.814 11.986 ( 0.028 0.000 0.570) 0.571 12.238 ( -1.246 0.000 0.217) 1.264 12.285 ( 1.256 0.000 0.280) 1.287 12.397 ( 2.193 0.000 1.446) 2.627 12.433 ( -0.155 0.000 0.856) 0.870 13.636 ( -3.965 0.000 -3.413) 5.232 13.644 ( 2.588 0.000 1.906) 3.215 13.860 ( -6.750 0.000 -4.012) 7.853 13.864 ( 1.729 0.000 2.154) 2.763 14.382 ( -4.306 0.000 -3.219) 5.376 14.485 ( -5.779 0.000 10.216) 11.737 14.543 ( -1.956 0.000 -0.950) 2.175 14.716 ( -2.041 0.000 2.772) 3.442 22.215 ( 0.051 0.000 0.293) 0.297 22.238 ( 0.011 0.000 -0.304) 0.304 22.959 ( -0.465 0.000 0.624) 0.779 23.016 ( -1.261 0.000 0.397) 1.322 23.184 ( 1.476 0.000 1.611) 2.185 23.473 ( 8.342 0.000 -11.874) 14.512 23.790 ( -0.923 0.000 0.780) 1.208 23.862 ( -0.911 0.000 -2.907) 3.046 24.041 ( 0.889 0.000 0.021) 0.890 24.118 ( 1.742 0.000 -2.216) 2.819 24.193 ( 2.778 0.000 -0.265) 2.791 24.212 ( 0.331 0.000 0.320) 0.460 24.368 ( -1.820 0.000 0.212) 1.832 24.444 ( 0.682 0.000 -0.642) 0.937 24.519 ( -2.772 0.000 6.976) 7.506 24.533 ( -2.485 0.000 -0.219) 2.495 24.754 ( -3.081 0.000 2.210) 3.791 24.949 ( -0.332 0.000 -0.603) 0.688 25.030 ( -7.564 0.000 14.738) 16.566 25.279 ( 0.235 0.000 -5.135) 5.141 25.447 ( 0.258 0.000 4.265) 4.273 25.749 ( -17.860 0.000 25.400) 31.051 25.826 ( -0.863 0.000 -4.886) 4.962 26.796 ( -0.017 0.000 -0.141) 0.142 27.154 ( 1.422 0.000 -0.909) 1.688 27.267 ( 1.076 0.000 1.052) 1.505 27.308 ( 3.018 0.000 -3.311) 4.480 27.422 ( 1.375 0.000 1.497) 2.033 27.590 ( -2.287 0.000 0.108) 2.290 27.825 ( -1.058 0.000 4.045) 4.181 28.143 ( 7.342 0.000 -12.234) 14.268 28.179 ( 1.821 0.000 -6.274) 6.533 ======================= Grid point 51 (19/64) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( 11.035 0.000 14.887) 18.531 0.905 ( 17.324 0.000 -4.722) 17.956 1.251 ( 0.064 0.000 20.929) 20.929 1.745 ( -9.114 0.000 -10.321) 13.769 1.746 ( 7.953 0.000 -9.915) 12.710 1.843 ( -1.114 0.000 1.496) 1.865 1.975 ( -1.899 0.000 0.029) 1.899 2.033 ( 4.536 0.000 -0.493) 4.563 2.103 ( -4.670 0.000 1.657) 4.956 2.193 ( -7.002 0.000 -13.798) 15.473 2.321 ( -4.527 0.000 -2.295) 5.076 2.336 ( -0.725 0.000 7.836) 7.870 2.467 ( -2.606 0.000 10.070) 10.402 2.631 ( -2.592 0.000 5.853) 6.401 2.636 ( -9.797 0.000 -0.022) 9.797 2.687 ( 1.961 0.000 4.101) 4.546 2.864 ( -2.401 0.000 -3.620) 4.343 2.932 ( 3.021 0.000 7.074) 7.692 2.934 ( 2.672 0.000 -4.399) 5.147 3.086 ( 2.316 0.000 -2.732) 3.581 3.103 ( 2.771 0.000 2.171) 3.520 3.108 ( -5.009 0.000 4.094) 6.469 3.124 ( 3.623 0.000 -2.294) 4.288 3.243 ( 2.889 0.000 1.475) 3.244 3.275 ( -1.677 0.000 -5.179) 5.444 3.310 ( 8.089 0.000 -0.523) 8.106 3.322 ( -0.245 0.000 -4.421) 4.427 3.423 ( 3.294 0.000 1.274) 3.532 3.465 ( -1.972 0.000 -1.633) 2.561 3.545 ( 4.504 0.000 2.924) 5.370 3.596 ( -1.745 0.000 -1.073) 2.048 3.613 ( -3.812 0.000 -4.856) 6.174 3.716 ( 2.254 0.000 1.919) 2.961 3.789 ( 2.094 0.000 1.814) 2.771 3.837 ( 1.068 0.000 -0.122) 1.075 3.858 ( 1.751 0.000 1.252) 2.153 3.948 ( -0.041 0.000 1.022) 1.023 4.030 ( 4.029 0.000 -4.853) 6.308 4.099 ( -1.879 0.000 -4.779) 5.135 4.142 ( 0.415 0.000 -2.955) 2.983 4.202 ( -1.002 0.000 -1.331) 1.665 4.229 ( 1.522 0.000 0.418) 1.578 4.272 ( -2.004 0.000 0.991) 2.236 4.355 ( -0.437 0.000 4.128) 4.151 4.392 ( -1.501 0.000 -3.831) 4.114 4.395 ( 0.466 0.000 0.003) 0.466 4.489 ( -1.643 0.000 0.378) 1.686 4.495 ( 5.499 0.000 5.940) 8.095 4.549 ( -0.823 0.000 -0.099) 0.829 4.609 ( -3.287 0.000 7.112) 7.834 4.679 ( 1.145 0.000 0.215) 1.165 4.738 ( -1.397 0.000 0.895) 1.659 4.901 ( 1.371 0.000 0.846) 1.611 4.904 ( 3.035 0.000 -4.385) 5.333 5.040 ( 2.032 0.000 0.976) 2.254 5.122 ( -0.089 0.000 0.201) 0.220 5.173 ( -1.032 0.000 9.240) 9.297 5.202 ( 1.595 0.000 -0.090) 1.598 5.353 ( -0.447 0.000 2.867) 2.902 5.362 ( -0.051 0.000 2.074) 2.074 5.512 ( 1.570 0.000 -1.329) 2.057 5.657 ( 0.743 0.000 -4.129) 4.196 5.789 ( -2.489 0.000 1.378) 2.845 6.110 ( -10.271 0.000 -3.111) 10.732 6.284 ( 0.634 0.000 -2.643) 2.718 6.328 ( -3.115 0.000 -4.718) 5.653 6.477 ( -0.888 0.000 6.692) 6.751 6.501 ( -2.342 0.000 5.308) 5.802 6.811 ( -4.851 0.000 -3.144) 5.780 6.823 ( -0.036 0.000 3.341) 3.341 6.875 ( 0.324 0.000 -4.002) 4.015 7.119 ( 1.615 0.000 -4.654) 4.926 8.643 ( -2.551 0.000 0.095) 2.553 8.651 ( -3.246 0.000 0.801) 3.343 9.044 ( -1.558 0.000 1.070) 1.890 9.079 ( 0.865 0.000 0.851) 1.214 9.100 ( 1.234 0.000 -0.060) 1.236 9.168 ( -1.039 0.000 -2.547) 2.751 9.350 ( -0.076 0.000 1.449) 1.451 9.462 ( 1.365 0.000 -0.943) 1.659 10.034 ( -0.141 0.000 -1.207) 1.216 10.081 ( -0.479 0.000 -0.185) 0.514 10.155 ( 0.179 0.000 2.276) 2.283 10.220 ( -0.049 0.000 -2.189) 2.189 10.414 ( -1.695 0.000 0.154) 1.703 10.493 ( 1.935 0.000 -2.730) 3.346 10.554 ( -2.047 0.000 3.540) 4.089 10.560 ( 1.282 0.000 -1.992) 2.369 10.737 ( -0.761 0.000 0.713) 1.043 10.764 ( -0.568 0.000 0.363) 0.674 10.789 ( -0.272 0.000 1.799) 1.820 10.891 ( -1.126 0.000 -1.125) 1.591 11.077 ( -0.658 0.000 0.629) 0.910 11.108 ( 1.674 0.000 0.799) 1.855 11.364 ( 0.450 0.000 -1.248) 1.327 11.399 ( 4.470 0.000 -6.356) 7.770 11.740 ( 3.965 0.000 -0.581) 4.007 11.780 ( 2.242 0.000 -1.620) 2.766 11.970 ( 1.399 0.000 4.255) 4.479 11.991 ( 0.424 0.000 0.981) 1.069 12.232 ( 0.481 0.000 1.090) 1.192 12.316 ( 1.850 0.000 0.565) 1.934 12.420 ( -1.377 0.000 1.643) 2.144 12.448 ( 2.839 0.000 0.855) 2.965 13.534 ( -6.390 0.000 -6.045) 8.796 13.683 ( 1.051 0.000 0.816) 1.330 13.759 ( -3.269 0.000 -0.847) 3.377 13.859 ( -2.250 0.000 -1.634) 2.780 14.333 ( 0.029 0.000 -2.727) 2.727 14.368 ( -6.424 0.000 15.036) 16.351 14.524 ( 0.071 0.000 1.000) 1.003 14.693 ( -0.504 0.000 0.579) 0.768 22.216 ( 0.031 0.000 0.278) 0.279 22.238 ( 0.025 0.000 -0.303) 0.304 22.952 ( -0.315 0.000 0.576) 0.656 22.995 ( -0.940 0.000 0.485) 1.058 23.216 ( 1.490 0.000 2.182) 2.642 23.567 ( 3.016 0.000 -9.869) 10.320 23.769 ( -1.134 0.000 0.496) 1.238 23.837 ( -1.535 0.000 -4.097) 4.375 24.028 ( -1.453 0.000 2.983) 3.318 24.149 ( 1.391 0.000 -2.890) 3.208 24.227 ( 1.085 0.000 1.291) 1.687 24.242 ( 1.188 0.000 1.382) 1.822 24.341 ( -0.205 0.000 0.856) 0.880 24.446 ( -1.044 0.000 0.346) 1.099 24.477 ( -1.477 0.000 3.790) 4.067 24.495 ( -0.624 0.000 -1.700) 1.810 24.713 ( -1.164 0.000 3.907) 4.077 24.932 ( -1.041 0.000 -1.125) 1.533 24.940 ( -2.712 0.000 12.317) 12.612 25.306 ( 2.584 0.000 -5.056) 5.678 25.452 ( -0.009 0.000 4.767) 4.767 25.671 ( 1.777 0.000 11.975) 12.107 25.807 ( -0.758 0.000 -4.385) 4.450 26.724 ( -5.931 0.000 -6.056) 8.476 27.224 ( 4.739 0.000 1.970) 5.132 27.291 ( 1.067 0.000 0.706) 1.279 27.331 ( 0.629 0.000 -1.181) 1.338 27.419 ( -2.185 0.000 2.849) 3.591 27.582 ( 1.578 0.000 0.272) 1.602 27.804 ( -1.185 0.000 4.582) 4.733 28.163 ( -0.087 0.000 -5.680) 5.681 28.221 ( 0.661 0.000 -8.702) 8.727 ======================= Grid point 52 (20/64) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( -1.884 0.000 12.946) 13.082 1.038 ( -7.973 0.000 -6.424) 10.239 1.234 ( 1.932 0.000 12.648) 12.794 1.523 ( -10.925 0.000 -16.832) 20.067 1.846 ( 2.687 0.000 -0.634) 2.761 1.871 ( 3.628 0.000 -8.559) 9.296 1.963 ( 0.108 0.000 1.353) 1.357 1.986 ( -5.621 0.000 -3.656) 6.705 2.122 ( 1.323 0.000 -11.940) 12.013 2.148 ( 6.785 0.000 -2.943) 7.396 2.271 ( 0.222 0.000 1.723) 1.737 2.317 ( -2.588 0.000 6.531) 7.025 2.443 ( -4.293 0.000 5.106) 6.671 2.490 ( -2.114 0.000 10.019) 10.240 2.549 ( -2.230 0.000 5.038) 5.510 2.775 ( 1.856 0.000 3.302) 3.788 2.808 ( -1.842 0.000 -0.370) 1.879 2.985 ( -0.864 0.000 -3.182) 3.297 2.994 ( -1.857 0.000 4.994) 5.328 3.001 ( -0.463 0.000 0.303) 0.553 3.054 ( -1.635 0.000 -8.224) 8.385 3.107 ( 0.228 0.000 -3.723) 3.730 3.188 ( 4.125 0.000 3.251) 5.253 3.215 ( -2.506 0.000 -0.045) 2.507 3.312 ( 3.229 0.000 -4.880) 5.852 3.395 ( 2.894 0.000 0.122) 2.897 3.408 ( -0.177 0.000 0.010) 0.177 3.497 ( 4.128 0.000 3.436) 5.371 3.497 ( 0.351 0.000 -7.034) 7.042 3.532 ( 2.802 0.000 6.252) 6.851 3.563 ( -1.055 0.000 2.174) 2.416 3.606 ( 1.919 0.000 1.180) 2.253 3.741 ( 1.193 0.000 5.548) 5.674 3.842 ( -1.087 0.000 0.641) 1.262 3.854 ( 1.368 0.000 1.200) 1.820 3.903 ( 2.793 0.000 2.089) 3.488 3.940 ( 0.061 0.000 1.772) 1.773 4.037 ( -2.277 0.000 -4.553) 5.090 4.105 ( 2.046 0.000 -4.663) 5.092 4.154 ( 0.852 0.000 -2.880) 3.003 4.200 ( 0.693 0.000 -2.783) 2.867 4.239 ( -0.413 0.000 -0.113) 0.428 4.261 ( 0.850 0.000 1.090) 1.382 4.341 ( -0.076 0.000 5.572) 5.572 4.357 ( -2.015 0.000 -2.079) 2.895 4.423 ( 0.801 0.000 0.259) 0.841 4.476 ( 1.553 0.000 3.485) 3.816 4.513 ( -2.130 0.000 -0.383) 2.165 4.584 ( 3.221 0.000 4.672) 5.675 4.593 ( 0.786 0.000 6.464) 6.512 4.686 ( -0.993 0.000 1.126) 1.501 4.695 ( -2.638 0.000 -1.673) 3.124 4.923 ( 1.189 0.000 1.511) 1.922 4.937 ( 0.462 0.000 -5.399) 5.419 5.082 ( 1.628 0.000 2.979) 3.394 5.116 ( -0.705 0.000 -0.464) 0.844 5.163 ( -0.878 0.000 9.282) 9.323 5.209 ( -0.691 0.000 0.543) 0.879 5.328 ( -2.296 0.000 0.221) 2.307 5.365 ( 0.330 0.000 1.956) 1.984 5.516 ( -1.286 0.000 -3.909) 4.115 5.661 ( -0.241 0.000 -3.592) 3.600 5.764 ( 0.103 0.000 -0.375) 0.389 5.946 ( -6.046 0.000 -7.536) 9.661 6.289 ( -1.049 0.000 -4.209) 4.337 6.303 ( 1.257 0.000 -2.586) 2.876 6.460 ( -1.091 0.000 6.718) 6.806 6.491 ( 1.049 0.000 5.783) 5.877 6.730 ( -2.527 0.000 -2.584) 3.614 6.857 ( 2.871 0.000 3.222) 4.315 6.875 ( -0.191 0.000 -4.254) 4.259 7.132 ( 0.131 0.000 -5.548) 5.550 8.617 ( -0.143 0.000 0.520) 0.539 8.620 ( 0.235 0.000 0.228) 0.327 9.019 ( -0.486 0.000 1.261) 1.351 9.093 ( 0.074 0.000 0.300) 0.308 9.111 ( -0.187 0.000 -0.237) 0.302 9.163 ( 0.772 0.000 -2.149) 2.283 9.347 ( -0.208 0.000 1.629) 1.642 9.479 ( 0.270 0.000 -1.560) 1.583 10.036 ( 0.392 0.000 -0.838) 0.925 10.068 ( -0.755 0.000 -0.947) 1.211 10.161 ( 0.082 0.000 1.513) 1.515 10.228 ( 1.039 0.000 -1.458) 1.790 10.400 ( 0.423 0.000 0.484) 0.643 10.504 ( 0.071 0.000 -3.127) 3.128 10.514 ( -2.061 0.000 1.989) 2.864 10.604 ( 3.161 0.000 -0.239) 3.170 10.725 ( -0.645 0.000 0.391) 0.754 10.749 ( -0.594 0.000 -0.345) 0.687 10.794 ( 0.387 0.000 3.928) 3.947 10.898 ( 1.645 0.000 0.533) 1.729 11.069 ( -0.199 0.000 0.536) 0.571 11.115 ( -0.995 0.000 -0.166) 1.009 11.369 ( 0.332 0.000 -1.342) 1.383 11.470 ( 3.384 0.000 -6.246) 7.104 11.773 ( -0.646 0.000 -1.125) 1.297 11.801 ( 0.019 0.000 -1.241) 1.241 11.991 ( 0.518 0.000 4.172) 4.205 12.001 ( 0.466 0.000 1.462) 1.534 12.259 ( 2.383 0.000 3.227) 4.011 12.344 ( 0.511 0.000 -0.431) 0.668 12.390 ( -1.207 0.000 2.510) 2.785 12.498 ( 2.410 0.000 2.069) 3.176 13.406 ( -6.591 0.000 -7.807) 10.218 13.673 ( -2.055 0.000 -1.805) 2.735 13.727 ( -0.533 0.000 0.703) 0.883 13.804 ( -2.632 0.000 -5.096) 5.736 14.258 ( -5.942 0.000 10.619) 12.169 14.369 ( 3.041 0.000 1.289) 3.303 14.549 ( 2.416 0.000 3.113) 3.941 14.681 ( -0.985 0.000 -1.156) 1.519 22.217 ( -0.029 0.000 0.255) 0.257 22.238 ( 0.020 0.000 -0.291) 0.292 22.950 ( 0.113 0.000 0.696) 0.705 22.980 ( -0.592 0.000 0.164) 0.614 23.232 ( -0.024 0.000 2.459) 2.459 23.600 ( 1.075 0.000 -8.809) 8.875 23.755 ( -0.267 0.000 0.152) 0.308 23.806 ( -1.252 0.000 -3.591) 3.803 24.000 ( -1.654 0.000 3.460) 3.835 24.164 ( 0.333 0.000 -2.688) 2.708 24.232 ( -1.618 0.000 3.940) 4.259 24.240 ( -0.133 0.000 1.421) 1.427 24.369 ( 2.451 0.000 -0.479) 2.498 24.416 ( -1.292 0.000 -0.910) 1.581 24.463 ( -0.368 0.000 0.028) 0.369 24.510 ( 1.687 0.000 -0.362) 1.725 24.713 ( 0.948 0.000 5.138) 5.225 24.909 ( -1.609 0.000 8.313) 8.467 24.917 ( -0.364 0.000 -1.808) 1.844 25.355 ( 2.413 0.000 -3.227) 4.030 25.452 ( -0.167 0.000 4.906) 4.909 25.743 ( 4.852 0.000 13.556) 14.398 25.796 ( -0.151 0.000 -4.375) 4.378 26.615 ( -4.337 0.000 -10.684) 11.531 27.290 ( -0.973 0.000 -0.466) 1.079 27.303 ( 3.139 0.000 1.790) 3.613 27.360 ( 2.394 0.000 1.353) 2.750 27.361 ( -3.447 0.000 1.265) 3.672 27.628 ( 2.601 0.000 4.327) 5.049 27.791 ( -0.318 0.000 4.569) 4.580 28.155 ( -0.463 0.000 -6.847) 6.863 28.209 ( -1.133 0.000 -7.772) 7.854 ======================= Grid point 53 (21/64) ======================= q-point: (-0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( -13.924 0.000 12.150) 18.480 0.779 ( -15.126 0.000 5.766) 16.188 1.186 ( -9.803 0.000 15.014) 17.931 1.381 ( -2.298 0.000 -19.209) 19.346 1.791 ( -7.147 0.000 -12.765) 14.629 1.904 ( 0.492 0.000 2.143) 2.199 1.963 ( -0.454 0.000 0.085) 0.462 2.039 ( 9.273 0.000 -0.534) 9.288 2.190 ( 3.946 0.000 -3.699) 5.409 2.246 ( 1.799 0.000 -2.169) 2.818 2.276 ( 0.484 0.000 -0.281) 0.560 2.310 ( 2.842 0.000 4.807) 5.584 2.394 ( 1.579 0.000 2.396) 2.870 2.542 ( 6.297 0.000 6.207) 8.842 2.548 ( 0.601 0.000 1.469) 1.587 2.659 ( -10.457 0.000 -2.731) 10.808 2.800 ( 0.688 0.000 2.798) 2.881 2.960 ( 1.875 0.000 -1.480) 2.388 2.995 ( 2.004 0.000 1.287) 2.382 3.035 ( 0.370 0.000 2.012) 2.046 3.089 ( 1.300 0.000 -1.650) 2.101 3.113 ( 1.702 0.000 -0.411) 1.751 3.161 ( -2.653 0.000 -0.887) 2.797 3.263 ( 3.512 0.000 1.286) 3.740 3.360 ( 1.816 0.000 -4.389) 4.750 3.367 ( -2.652 0.000 -0.415) 2.684 3.375 ( -3.512 0.000 -1.036) 3.662 3.445 ( -5.697 0.000 5.015) 7.590 3.503 ( 0.582 0.000 -0.864) 1.042 3.553 ( -2.263 0.000 1.311) 2.615 3.640 ( 3.297 0.000 -0.014) 3.297 3.676 ( 4.978 0.000 -1.870) 5.317 3.792 ( 3.659 0.000 3.882) 5.335 3.809 ( -2.023 0.000 -1.865) 2.751 3.857 ( 0.787 0.000 4.941) 5.003 3.929 ( -0.904 0.000 3.422) 3.539 3.961 ( 1.476 0.000 1.046) 1.809 3.972 ( -4.700 0.000 -3.557) 5.894 4.131 ( 1.185 0.000 -7.952) 8.040 4.165 ( 0.854 0.000 -4.130) 4.217 4.214 ( -2.406 0.000 -1.131) 2.658 4.230 ( 2.524 0.000 -3.449) 4.274 4.281 ( -0.569 0.000 2.060) 2.137 4.321 ( -0.412 0.000 2.031) 2.072 4.366 ( 1.458 0.000 7.801) 7.936 4.414 ( -0.480 0.000 -4.656) 4.681 4.474 ( -1.971 0.000 -0.687) 2.087 4.508 ( 0.187 0.000 5.634) 5.637 4.585 ( -5.518 0.000 -0.486) 5.540 4.634 ( -0.018 0.000 -2.441) 2.441 4.672 ( 6.634 0.000 10.900) 12.760 4.689 ( 0.882 0.000 -0.336) 0.944 4.917 ( -2.295 0.000 -4.775) 5.298 4.944 ( -0.370 0.000 1.829) 1.866 5.071 ( -2.712 0.000 3.172) 4.174 5.097 ( -0.241 0.000 2.372) 2.384 5.175 ( 3.387 0.000 11.936) 12.407 5.200 ( -0.358 0.000 -0.637) 0.731 5.281 ( -1.883 0.000 0.484) 1.944 5.363 ( -1.116 0.000 0.621) 1.277 5.471 ( -2.475 0.000 -0.885) 2.628 5.642 ( -1.305 0.000 -4.026) 4.233 5.794 ( 2.665 0.000 2.085) 3.383 5.865 ( -3.054 0.000 -12.301) 12.674 6.283 ( 0.596 0.000 -4.045) 4.088 6.320 ( 0.525 0.000 -2.605) 2.658 6.451 ( -0.058 0.000 7.170) 7.170 6.538 ( 3.194 0.000 7.005) 7.699 6.716 ( 0.878 0.000 -2.929) 3.057 6.865 ( -0.496 0.000 -4.319) 4.347 6.929 ( 4.183 0.000 3.326) 5.344 7.127 ( -0.146 0.000 -5.659) 5.661 8.647 ( 3.125 0.000 0.338) 3.144 8.651 ( 2.845 0.000 0.482) 2.885 9.032 ( 1.705 0.000 0.805) 1.886 9.078 ( -1.600 0.000 0.451) 1.662 9.094 ( -1.475 0.000 -0.481) 1.552 9.194 ( 2.472 0.000 -1.367) 2.824 9.340 ( -0.789 0.000 1.348) 1.562 9.471 ( -0.911 0.000 -1.345) 1.624 10.045 ( 0.410 0.000 -0.392) 0.567 10.057 ( -0.194 0.000 -1.098) 1.115 10.154 ( -0.958 0.000 1.124) 1.477 10.261 ( 2.495 0.000 -0.700) 2.592 10.424 ( 1.291 0.000 0.550) 1.403 10.486 ( -0.487 0.000 0.167) 0.515 10.507 ( 0.486 0.000 -3.148) 3.185 10.670 ( 3.511 0.000 1.169) 3.701 10.718 ( 0.193 0.000 0.150) 0.244 10.747 ( 0.513 0.000 -0.536) 0.742 10.805 ( 0.653 0.000 3.734) 3.791 10.939 ( 2.151 0.000 0.257) 2.166 11.071 ( 0.393 0.000 0.800) 0.891 11.076 ( -2.614 0.000 -0.137) 2.618 11.376 ( 0.273 0.000 -1.330) 1.357 11.521 ( 2.259 0.000 -6.823) 7.188 11.719 ( -4.651 0.000 -1.059) 4.770 11.783 ( -1.763 0.000 -1.641) 2.408 11.990 ( -0.917 0.000 3.069) 3.203 12.006 ( -0.067 0.000 1.475) 1.476 12.318 ( 3.022 0.000 3.467) 4.600 12.319 ( -2.157 0.000 -0.509) 2.217 12.397 ( 1.010 0.000 1.388) 1.716 12.554 ( 3.819 0.000 5.110) 6.379 13.282 ( -5.567 0.000 -4.091) 6.908 13.624 ( -2.447 0.000 -2.696) 3.641 13.727 ( 0.136 0.000 1.212) 1.220 13.768 ( -0.863 0.000 -4.462) 4.545 14.155 ( -5.277 0.000 6.469) 8.349 14.426 ( 2.519 0.000 3.019) 3.932 14.604 ( 2.629 0.000 3.951) 4.746 14.653 ( -1.805 0.000 -1.951) 2.658 22.216 ( -0.066 0.000 0.248) 0.257 22.238 ( 0.001 0.000 -0.283) 0.283 22.956 ( 0.413 0.000 0.851) 0.946 22.973 ( -0.249 0.000 0.036) 0.252 23.217 ( -1.522 0.000 2.241) 2.709 23.584 ( -2.852 0.000 -11.882) 12.220 23.761 ( 0.812 0.000 0.083) 0.816 23.803 ( 1.396 0.000 -0.658) 1.543 23.968 ( -1.898 0.000 2.983) 3.536 24.156 ( -1.200 0.000 -2.197) 2.504 24.203 ( -1.428 0.000 2.828) 3.168 24.226 ( -0.971 0.000 0.961) 1.366 24.406 ( 0.196 0.000 -1.552) 1.564 24.414 ( 1.719 0.000 0.249) 1.737 24.464 ( 0.893 0.000 -0.748) 1.165 24.546 ( 1.882 0.000 0.867) 2.072 24.757 ( 3.565 0.000 6.930) 7.793 24.880 ( -1.844 0.000 6.414) 6.673 24.917 ( 0.331 0.000 -2.104) 2.130 25.380 ( 0.115 0.000 -1.077) 1.083 25.451 ( -0.238 0.000 4.880) 4.885 25.801 ( 0.952 0.000 -4.837) 4.930 25.876 ( 9.293 0.000 21.043) 23.004 26.569 ( 0.276 0.000 -12.298) 12.301 27.267 ( -1.197 0.000 -0.407) 1.264 27.288 ( -3.303 0.000 2.541) 4.167 27.355 ( 1.505 0.000 -1.274) 1.972 27.414 ( 3.179 0.000 2.784) 4.225 27.668 ( 1.129 0.000 6.477) 6.574 27.799 ( 0.837 0.000 3.982) 4.069 28.118 ( -4.284 0.000 -13.453) 14.119 28.182 ( -0.810 0.000 -5.855) 5.911 ======================= Grid point 54 (22/64) ======================= q-point: (-0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.527 ( -10.621 0.000 17.874) 20.792 0.577 ( -5.887 0.000 24.487) 25.185 0.920 ( -16.055 0.000 28.813) 32.984 1.432 ( 8.361 0.000 -17.670) 19.548 1.671 ( -4.378 0.000 -14.294) 14.950 1.891 ( -1.242 0.000 2.552) 2.838 1.932 ( -2.115 0.000 0.062) 2.116 2.172 ( 0.605 0.000 2.657) 2.725 2.258 ( 0.148 0.000 8.982) 8.983 2.275 ( 7.594 0.000 2.081) 7.874 2.334 ( 2.770 0.000 -5.211) 5.901 2.356 ( 1.663 0.000 0.627) 1.777 2.441 ( 2.553 0.000 5.810) 6.346 2.479 ( -3.189 0.000 -0.790) 3.286 2.601 ( 2.435 0.000 1.902) 3.090 2.710 ( 9.298 0.000 -0.585) 9.316 2.835 ( 2.694 0.000 0.554) 2.750 2.989 ( -2.385 0.000 3.459) 4.201 3.007 ( -1.618 0.000 1.542) 2.235 3.028 ( 2.992 0.000 -5.310) 6.095 3.061 ( -2.365 0.000 -2.515) 3.452 3.127 ( -1.553 0.000 0.082) 1.555 3.159 ( -0.008 0.000 -1.365) 1.365 3.277 ( -6.455 0.000 -4.298) 7.755 3.301 ( -0.287 0.000 -0.046) 0.291 3.350 ( -0.690 0.000 0.479) 0.840 3.354 ( 1.355 0.000 -1.706) 2.178 3.405 ( 0.453 0.000 1.779) 1.836 3.500 ( -2.733 0.000 1.335) 3.042 3.517 ( 2.091 0.000 -1.121) 2.373 3.644 ( -2.604 0.000 -2.896) 3.894 3.766 ( -2.551 0.000 -2.671) 3.694 3.771 ( 5.042 0.000 -1.825) 5.362 3.772 ( -7.450 0.000 0.281) 7.455 3.868 ( -3.542 0.000 4.765) 5.937 3.882 ( -3.744 0.000 -5.670) 6.794 3.912 ( 0.562 0.000 0.787) 0.967 4.003 ( 4.676 0.000 4.233) 6.307 4.125 ( -7.200 0.000 -5.338) 8.963 4.131 ( -0.553 0.000 -5.200) 5.229 4.180 ( 0.696 0.000 -12.940) 12.959 4.218 ( -3.900 0.000 4.438) 5.908 4.274 ( 1.403 0.000 -1.276) 1.896 4.369 ( -1.184 0.000 7.833) 7.922 4.371 ( 3.794 0.000 3.207) 4.968 4.429 ( 1.229 0.000 -4.395) 4.563 4.449 ( 0.586 0.000 0.004) 0.586 4.480 ( -4.084 0.000 -3.865) 5.623 4.504 ( -0.530 0.000 4.472) 4.504 4.634 ( 0.050 0.000 -0.205) 0.211 4.728 ( 2.539 0.000 -0.832) 2.672 4.782 ( 2.946 0.000 9.512) 9.958 4.858 ( -3.007 0.000 -3.203) 4.393 4.881 ( -4.639 0.000 0.876) 4.721 5.023 ( -1.688 0.000 1.871) 2.520 5.108 ( 0.509 0.000 -0.967) 1.092 5.171 ( -2.196 0.000 -2.103) 3.040 5.279 ( 1.119 0.000 3.881) 4.039 5.309 ( -2.018 0.000 -4.103) 4.572 5.407 ( 8.165 0.000 8.990) 12.144 5.485 ( 16.437 0.000 20.465) 26.248 5.620 ( -0.497 0.000 -4.969) 4.994 5.781 ( -5.123 0.000 -9.837) 11.091 5.847 ( 2.263 0.000 6.116) 6.521 6.302 ( 1.635 0.000 -3.976) 4.299 6.317 ( -0.656 0.000 -2.599) 2.680 6.463 ( 0.743 0.000 7.505) 7.542 6.595 ( 1.823 0.000 7.629) 7.844 6.748 ( 2.377 0.000 -2.726) 3.617 6.859 ( 0.199 0.000 -4.060) 4.065 6.997 ( 2.301 0.000 2.710) 3.555 7.136 ( 1.815 0.000 -4.505) 4.857 8.714 ( 3.175 0.000 0.656) 3.242 8.724 ( 4.544 0.000 0.189) 4.547 9.037 ( -2.552 0.000 0.708) 2.649 9.061 ( -1.760 0.000 -0.523) 1.836 9.077 ( 2.688 0.000 0.614) 2.758 9.249 ( 3.168 0.000 -0.840) 3.277 9.313 ( -2.169 0.000 0.675) 2.272 9.451 ( -0.782 0.000 -0.984) 1.257 10.049 ( 0.063 0.000 -0.063) 0.090 10.060 ( 0.472 0.000 -0.469) 0.665 10.128 ( -1.590 0.000 0.917) 1.836 10.309 ( 1.656 0.000 -0.447) 1.715 10.419 ( -0.681 0.000 0.676) 0.960 10.515 ( 2.566 0.000 -0.381) 2.594 10.519 ( 0.806 0.000 -2.642) 2.762 10.717 ( 1.019 0.000 0.310) 1.065 10.744 ( 2.559 0.000 -0.593) 2.627 10.769 ( 1.467 0.000 0.654) 1.606 10.818 ( -0.062 0.000 0.949) 0.951 10.954 ( -0.782 0.000 -2.496) 2.616 11.049 ( 0.222 0.000 1.692) 1.707 11.088 ( 1.340 0.000 1.278) 1.851 11.370 ( -1.014 0.000 -0.601) 1.179 11.523 ( -3.326 0.000 -11.031) 11.522 11.621 ( -4.727 0.000 -0.908) 4.813 11.736 ( -3.441 0.000 -3.925) 5.220 11.955 ( -2.949 0.000 1.542) 3.328 12.000 ( -0.558 0.000 1.150) 1.278 12.284 ( -1.322 0.000 -0.515) 1.419 12.351 ( 0.236 0.000 0.198) 0.308 12.415 ( 0.835 0.000 0.388) 0.921 12.567 ( -8.369 0.000 -10.306) 13.276 13.380 ( 26.864 0.000 32.687) 42.310 13.592 ( -0.646 0.000 -0.903) 1.110 13.725 ( -0.391 0.000 1.113) 1.180 13.770 ( 1.367 0.000 -2.133) 2.533 14.072 ( -3.620 0.000 3.472) 5.016 14.460 ( 0.811 0.000 2.402) 2.535 14.618 ( -1.618 0.000 -1.958) 2.540 14.631 ( -0.348 0.000 2.862) 2.883 22.215 ( -0.043 0.000 0.264) 0.268 22.238 ( -0.009 0.000 -0.285) 0.285 22.964 ( 0.295 0.000 0.914) 0.961 22.973 ( 0.571 0.000 0.678) 0.887 23.186 ( -1.603 0.000 1.713) 2.346 23.468 ( -8.715 0.000 -12.211) 15.002 23.781 ( 1.155 0.000 0.307) 1.195 23.852 ( 3.235 0.000 0.060) 3.235 23.938 ( -0.921 0.000 3.205) 3.335 24.122 ( -1.869 0.000 -1.560) 2.435 24.183 ( -0.869 0.000 1.579) 1.802 24.215 ( -0.276 0.000 0.083) 0.288 24.415 ( 0.737 0.000 -1.576) 1.740 24.418 ( -0.752 0.000 -1.328) 1.526 24.506 ( 2.795 0.000 1.492) 3.169 24.574 ( 0.739 0.000 1.396) 1.579 24.837 ( -0.689 0.000 3.951) 4.010 24.880 ( 7.301 0.000 8.733) 11.383 24.926 ( 0.772 0.000 -1.996) 2.140 25.356 ( -2.401 0.000 -0.872) 2.555 25.449 ( -0.266 0.000 4.782) 4.789 25.824 ( 1.445 0.000 -5.193) 5.391 26.194 ( 26.645 0.000 31.192) 41.023 26.613 ( 4.716 0.000 -8.732) 9.924 27.232 ( -2.844 0.000 0.863) 2.972 27.248 ( -0.822 0.000 -0.521) 0.973 27.373 ( 0.745 0.000 -1.251) 1.456 27.491 ( 5.641 0.000 5.052) 7.572 27.673 ( -0.946 0.000 5.891) 5.967 27.821 ( 1.061 0.000 3.512) 3.669 27.902 ( -21.847 0.000 -25.815) 33.819 28.175 ( 0.024 0.000 -4.512) 4.512 ======================= Grid point 55 (23/64) ======================= q-point: ( 0.00 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.616 ( -4.355 15.175 17.440) 23.524 0.801 ( 7.051 20.748 20.638) 30.101 1.137 ( 2.226 28.424 28.572) 40.364 1.633 ( 6.377 2.328 -13.987) 15.547 1.770 ( 3.317 10.166 -15.126) 18.524 1.833 ( 0.182 -0.557 1.192) 1.328 1.887 ( -0.963 -2.765 1.120) 3.135 2.157 ( -0.448 3.333 7.657) 8.363 2.275 ( -3.723 4.350 5.988) 8.284 2.318 ( 0.477 -4.915 5.360) 7.288 2.405 ( 2.017 2.333 1.375) 3.377 2.453 ( 2.834 -2.100 4.553) 5.759 2.501 ( 1.042 8.545 3.309) 9.222 2.513 ( 3.466 0.070 2.733) 4.414 2.698 ( 5.579 0.624 2.425) 6.115 2.800 ( -0.112 -2.499 -0.504) 2.552 2.870 ( 1.394 -1.657 -4.213) 4.737 2.926 ( -2.799 0.174 1.383) 3.127 3.000 ( -4.159 3.333 3.695) 6.486 3.042 ( 0.324 -0.163 -3.231) 3.251 3.048 ( -0.384 -2.891 -2.952) 4.149 3.062 ( -2.866 0.835 -5.215) 6.009 3.161 ( -4.151 3.047 -3.800) 6.400 3.203 ( 0.576 -2.569 -3.272) 4.200 3.254 ( -2.778 4.555 -0.834) 5.400 3.298 ( -0.589 -2.546 -1.096) 2.834 3.312 ( 1.285 0.813 -0.880) 1.757 3.430 ( 1.463 -1.981 0.827) 2.598 3.437 ( -0.737 -2.557 2.110) 3.396 3.478 ( -8.616 -0.723 2.790) 9.085 3.535 ( 2.335 -2.873 -1.362) 3.945 3.638 ( 0.338 -1.079 -0.242) 1.157 3.717 ( -2.217 -0.959 -1.449) 2.817 3.772 ( -2.415 -2.046 -0.961) 3.308 3.802 ( 0.160 -2.529 -1.188) 2.799 3.900 ( 0.415 1.209 -2.904) 3.173 3.939 ( 0.449 3.097 -3.624) 4.788 4.022 ( -1.273 0.766 -3.587) 3.883 4.048 ( 1.443 -1.154 -1.714) 2.520 4.126 ( 2.165 -2.827 -4.595) 5.813 4.191 ( 0.486 -1.404 -3.383) 3.695 4.227 ( 0.854 -0.589 -0.711) 1.258 4.254 ( -2.025 0.097 -0.498) 2.087 4.377 ( -0.843 2.463 5.965) 6.509 4.383 ( 0.598 -2.277 -3.607) 4.307 4.414 ( 0.003 -0.593 0.531) 0.795 4.455 ( -1.800 3.151 -1.616) 3.972 4.508 ( -0.487 0.553 2.212) 2.331 4.580 ( 1.074 4.357 -6.402) 7.818 4.642 ( 1.337 0.046 0.953) 1.643 4.669 ( -1.614 -5.771 2.055) 6.335 4.754 ( -0.394 -1.582 2.992) 3.407 4.816 ( 0.276 0.187 0.982) 1.037 4.872 ( -1.081 0.409 -2.910) 3.131 5.008 ( -0.120 0.737 3.145) 3.232 5.087 ( 0.868 -0.883 -1.450) 1.907 5.163 ( -0.652 1.013 -0.987) 1.558 5.239 ( -0.234 -1.708 -2.448) 2.995 5.337 ( 0.674 1.197 3.617) 3.869 5.428 ( 0.885 -0.134 2.845) 2.983 5.497 ( -5.379 -4.181 -4.954) 8.424 5.667 ( -2.874 2.543 6.398) 7.460 5.872 ( 4.609 0.053 6.004) 7.569 6.029 ( 13.346 -7.306 6.499) 16.545 6.258 ( -0.190 -1.531 -1.039) 1.860 6.384 ( 1.142 1.025 -4.064) 4.344 6.522 ( 0.338 1.487 5.674) 5.875 6.616 ( -1.231 2.370 6.225) 6.774 6.824 ( 2.897 0.851 -2.602) 3.986 6.899 ( 0.162 3.088 -3.569) 4.722 6.983 ( -1.800 -1.943 1.704) 3.149 7.106 ( -0.720 -2.117 0.667) 2.334 8.752 ( 2.333 -0.083 0.221) 2.345 8.778 ( -2.082 0.283 -0.952) 2.307 9.002 ( -1.196 -0.686 0.617) 1.511 9.070 ( 0.155 0.129 -0.729) 0.757 9.110 ( 1.052 0.560 2.502) 2.771 9.256 ( -1.326 -0.780 -2.284) 2.754 9.346 ( 1.878 2.625 -0.351) 3.247 9.399 ( -0.183 -2.739 -0.479) 2.787 10.065 ( 0.014 1.152 0.854) 1.434 10.081 ( -0.228 1.092 -1.112) 1.576 10.134 ( 1.130 0.620 0.629) 1.434 10.236 ( -2.389 -4.010 -1.403) 4.874 10.441 ( 1.039 -0.834 2.147) 2.526 10.507 ( -1.820 -1.135 1.064) 2.394 10.533 ( -0.339 -1.202 -0.668) 1.417 10.571 ( -1.638 0.999 0.378) 1.956 10.762 ( -0.526 -2.243 0.015) 2.304 10.821 ( 0.039 5.279 2.078) 5.673 10.937 ( 5.789 3.036 -7.157) 9.693 11.000 ( -0.517 3.264 -2.367) 4.065 11.078 ( 0.850 1.572 0.724) 1.929 11.148 ( -8.391 4.710 -1.006) 9.675 11.327 ( 1.185 3.744 -0.194) 3.931 11.465 ( -6.403 7.081 -6.222) 11.396 11.592 ( -0.757 0.911 -2.625) 2.880 11.664 ( 0.553 -1.779 -1.891) 2.654 11.899 ( 0.479 -2.113 2.829) 3.564 11.975 ( -0.386 -1.904 0.768) 2.089 12.245 ( -0.303 -0.990 0.014) 1.035 12.337 ( -7.479 0.668 -2.669) 7.969 12.383 ( 0.847 1.240 0.937) 1.770 12.431 ( 0.510 0.284 0.062) 0.587 13.553 ( 3.590 -6.059 5.776) 9.108 13.670 ( 1.001 -3.446 0.589) 3.636 13.786 ( 6.878 -5.946 5.008) 10.380 13.839 ( 5.691 -7.162 6.909) 11.464 14.067 ( 6.288 -4.395 10.263) 12.813 14.404 ( -1.851 -4.590 -0.167) 4.952 14.601 ( 1.128 -0.643 -0.380) 1.353 14.627 ( -0.532 -0.412 -1.665) 1.796 22.306 ( -0.010 6.773 0.687) 6.808 22.659 ( -0.615 20.079 -20.371) 28.610 22.918 ( 0.847 -3.450 1.116) 3.723 23.002 ( 0.294 -0.553 -0.959) 1.145 23.335 ( 0.135 13.080 -11.736) 17.574 23.387 ( 1.412 5.177 -3.053) 6.173 23.816 ( -0.140 1.965 0.460) 2.023 23.895 ( -0.167 1.643 -2.385) 2.901 23.928 ( 2.130 -3.953 2.425) 5.103 24.037 ( 0.722 -4.271 -1.851) 4.711 24.214 ( -0.231 1.653 0.708) 1.813 24.240 ( 1.319 2.399 -0.388) 2.765 24.386 ( -1.430 -0.659 -1.291) 2.036 24.425 ( 0.505 -0.474 -1.146) 1.339 24.547 ( 0.475 0.526 2.789) 2.878 24.583 ( -1.050 1.022 0.876) 1.707 24.797 ( -2.102 -0.649 2.670) 3.460 24.923 ( 1.787 -2.125 3.586) 4.535 25.031 ( 3.938 -1.526 0.806) 4.300 25.282 ( -2.491 -2.384 -3.197) 4.702 25.466 ( -0.704 2.040 5.159) 5.592 25.852 ( -3.668 -0.688 -1.836) 4.159 26.146 ( -11.039 -18.130 26.376) 33.856 26.793 ( -0.933 -2.870 -7.490) 8.075 27.169 ( 4.230 -0.449 -1.024) 4.375 27.190 ( -7.851 -0.376 -1.258) 7.960 27.286 ( -1.563 1.415 1.752) 2.741 27.400 ( 1.385 0.504 -0.168) 1.483 27.639 ( 10.146 -2.008 5.086) 11.526 27.657 ( -1.542 0.769 3.385) 3.799 27.901 ( 1.607 -0.259 -1.145) 1.990 28.142 ( 0.027 -3.248 -4.138) 5.260 ======================= Grid point 56 (24/64) ======================= q-point: ( 0.17 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( 8.238 11.736 7.976) 16.408 0.973 ( 9.565 24.835 12.478) 29.393 1.271 ( 7.840 17.600 31.101) 36.585 1.667 ( 1.710 1.948 -11.920) 12.199 1.834 ( 0.477 0.746 -3.768) 3.871 1.887 ( 3.729 6.870 -9.091) 11.989 1.911 ( 2.707 -1.364 0.848) 3.147 2.145 ( -0.735 3.943 5.401) 6.728 2.207 ( -3.516 5.659 4.839) 8.234 2.309 ( -1.812 -0.904 -3.907) 4.401 2.388 ( -3.393 2.253 3.754) 5.539 2.470 ( -2.291 1.240 5.196) 5.812 2.516 ( 2.407 1.666 6.648) 7.264 2.562 ( -0.051 1.830 2.278) 2.922 2.757 ( -7.688 -2.836 1.519) 8.334 2.806 ( 4.651 -3.091 6.086) 8.260 2.850 ( -3.153 0.252 0.453) 3.195 2.865 ( -5.307 2.464 -1.921) 6.158 2.900 ( 1.030 -1.735 -3.965) 4.449 3.021 ( -1.352 1.638 -4.807) 5.255 3.059 ( 2.720 0.510 -0.844) 2.894 3.076 ( 5.723 -2.776 -1.940) 6.650 3.126 ( 0.398 1.350 -0.765) 1.602 3.211 ( -2.580 0.482 -1.807) 3.186 3.226 ( -3.173 0.620 0.151) 3.236 3.280 ( 0.934 -4.074 -1.856) 4.573 3.369 ( 1.240 2.412 -1.287) 3.002 3.388 ( 2.244 1.346 1.367) 2.952 3.438 ( 0.481 -1.918 0.184) 1.986 3.463 ( 1.756 -2.095 -1.120) 2.954 3.561 ( 0.510 -4.832 -2.494) 5.461 3.663 ( 1.608 -0.436 0.596) 1.769 3.669 ( 0.492 2.397 -0.903) 2.608 3.776 ( -1.453 -4.151 -3.023) 5.337 3.805 ( 1.871 0.633 -1.393) 2.417 3.894 ( -0.272 -3.153 -0.789) 3.262 3.939 ( -0.809 5.348 -2.403) 5.918 4.022 ( 1.753 2.983 -5.376) 6.394 4.074 ( 1.545 -1.770 -0.141) 2.354 4.149 ( 0.260 -0.660 -6.209) 6.250 4.204 ( 1.011 -0.859 -4.230) 4.433 4.212 ( -2.236 -2.632 -2.442) 4.230 4.276 ( 1.518 -1.631 2.306) 3.206 4.363 ( -0.152 3.895 7.908) 8.817 4.375 ( -2.694 -0.749 1.381) 3.118 4.410 ( 2.159 -1.474 -4.137) 4.894 4.424 ( -0.759 1.128 -1.006) 1.692 4.501 ( 0.429 -0.738 1.926) 2.107 4.578 ( -1.494 2.618 -2.936) 4.208 4.650 ( -1.627 -3.133 3.886) 5.250 4.662 ( 0.551 -1.416 1.906) 2.437 4.732 ( -1.106 -0.891 1.528) 2.086 4.855 ( 0.908 -0.736 -3.580) 3.766 4.869 ( 3.177 1.449 0.678) 3.557 5.024 ( 1.651 1.357 2.878) 3.585 5.097 ( -0.089 -1.351 -0.711) 1.529 5.175 ( 2.030 1.094 -1.852) 2.958 5.240 ( -0.242 0.547 -1.622) 1.728 5.333 ( -2.286 -1.188 5.771) 6.320 5.385 ( -2.766 0.669 5.862) 6.516 5.457 ( 1.455 -1.233 2.422) 3.083 5.655 ( 0.507 1.513 -0.958) 1.861 5.872 ( -2.181 2.496 2.800) 4.339 6.156 ( -1.202 -9.801 1.054) 9.931 6.250 ( -0.580 -2.002 -0.917) 2.277 6.388 ( -1.031 -0.504 -4.017) 4.178 6.512 ( -1.762 0.075 5.199) 5.490 6.588 ( -1.545 4.118 5.552) 7.083 6.843 ( -0.840 0.862 0.149) 1.212 6.894 ( -0.993 1.064 -3.420) 3.717 6.925 ( -3.463 0.802 -0.815) 3.647 7.084 ( -0.317 -0.274 -0.388) 0.571 8.712 ( -3.991 0.136 0.068) 3.994 8.755 ( -2.581 2.610 -0.174) 3.675 8.986 ( 0.372 -3.359 0.192) 3.385 9.054 ( -1.622 -1.492 0.425) 2.244 9.126 ( 0.568 2.034 2.186) 3.040 9.213 ( -2.532 -0.067 -2.341) 3.449 9.374 ( 0.987 1.536 0.053) 1.826 9.418 ( 1.653 -0.873 -0.345) 1.901 10.060 ( -0.480 1.559 -0.845) 1.837 10.079 ( 0.228 0.350 0.533) 0.678 10.158 ( 0.378 -0.560 1.405) 1.560 10.218 ( 0.203 -1.449 -1.907) 2.403 10.406 ( -1.726 -1.093 1.452) 2.506 10.467 ( -1.180 0.296 -0.465) 1.302 10.547 ( 0.877 -0.308 -1.022) 1.382 10.570 ( -0.356 -0.311 0.400) 0.619 10.757 ( -0.037 -1.497 -0.459) 1.566 10.821 ( -0.199 4.704 2.472) 5.318 10.887 ( -6.787 6.494 -0.997) 9.446 10.969 ( -2.641 3.220 -2.636) 4.929 11.058 ( 0.675 -1.296 -0.616) 1.586 11.158 ( 3.089 6.116 -1.804) 7.085 11.334 ( 0.578 2.989 0.175) 3.050 11.401 ( 0.194 4.497 -3.965) 5.999 11.649 ( 5.364 0.145 -0.864) 5.435 11.713 ( 3.536 -1.256 -2.267) 4.384 11.917 ( 1.024 -2.307 3.096) 3.994 11.972 ( 0.128 -1.771 0.677) 1.900 12.235 ( -0.780 -0.145 0.337) 0.862 12.282 ( 0.664 -0.441 0.650) 1.028 12.390 ( -0.038 0.290 -0.434) 0.523 12.455 ( 1.769 1.433 1.085) 2.522 13.581 ( -1.054 -4.450 0.479) 4.598 13.657 ( -0.143 -0.270 -0.850) 0.903 13.814 ( -4.042 -4.495 0.031) 6.045 13.854 ( 1.097 -1.004 1.235) 1.933 14.205 ( 2.120 -13.604 13.658) 19.393 14.362 ( -2.180 -4.513 -0.618) 5.050 14.583 ( -1.040 0.846 -0.706) 1.515 14.671 ( 2.078 -2.290 0.779) 3.189 22.305 ( -0.120 6.700 0.619) 6.730 22.535 ( -7.996 20.992 -10.647) 24.858 22.926 ( -0.204 -2.996 0.765) 3.099 23.004 ( -0.113 -0.660 -0.987) 1.192 23.254 ( -2.066 6.609 0.206) 6.928 23.517 ( 5.366 3.567 -11.173) 12.898 23.792 ( -1.935 0.598 0.655) 2.129 23.892 ( -0.143 2.719 -2.918) 3.991 23.965 ( 1.076 -5.585 1.315) 5.838 24.064 ( 1.759 -3.979 -2.899) 5.228 24.230 ( 2.059 2.184 0.353) 3.022 24.263 ( 0.831 2.989 -0.111) 3.104 24.360 ( -1.166 -0.158 -0.333) 1.222 24.435 ( 0.566 -1.133 -0.257) 1.293 24.536 ( -2.039 1.365 4.701) 5.303 24.540 ( -2.833 0.804 0.080) 2.946 24.751 ( -2.693 -0.199 2.732) 3.841 24.935 ( -0.672 -1.661 5.443) 5.730 25.014 ( -4.450 -0.833 6.958) 8.301 25.256 ( 0.408 -2.208 -4.878) 5.371 25.460 ( -0.045 1.479 4.945) 5.162 25.695 ( -7.662 -2.741 15.635) 17.626 25.929 ( -4.908 7.491 0.973) 9.008 26.755 ( -1.625 -4.151 -2.387) 5.057 27.149 ( 1.334 -0.335 -0.357) 1.421 27.280 ( 2.113 0.064 -0.576) 2.191 27.291 ( 2.382 -0.434 -1.239) 2.720 27.420 ( 0.320 -0.444 1.398) 1.501 27.611 ( -1.723 2.267 -0.302) 2.863 27.790 ( 1.656 -3.113 4.770) 5.932 28.023 ( 9.010 -8.524 -5.613) 13.614 28.139 ( -0.098 -3.463 -4.443) 5.635 ======================= Grid point 57 (25/64) ======================= q-point: ( 0.33 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( 11.675 2.365 -1.512) 12.007 1.148 ( 7.071 21.462 8.253) 24.056 1.375 ( 0.727 13.668 20.525) 24.670 1.719 ( -1.322 -0.590 -12.456) 12.540 1.780 ( -0.253 1.822 -4.319) 4.695 1.919 ( 0.768 6.438 -5.718) 8.644 1.966 ( 2.613 1.981 -1.030) 3.437 2.112 ( -2.965 1.386 1.306) 3.524 2.175 ( -0.226 9.724 2.303) 9.996 2.204 ( -7.062 1.461 -11.051) 13.195 2.341 ( -1.463 1.048 5.378) 5.671 2.439 ( -1.619 6.484 3.086) 7.361 2.496 ( -3.654 3.757 5.116) 7.324 2.576 ( -8.626 -0.779 5.132) 10.068 2.608 ( 2.931 -4.020 4.083) 6.436 2.707 ( -5.738 1.569 2.821) 6.584 2.812 ( -3.175 -4.231 -1.359) 5.462 2.919 ( 4.694 -0.462 1.326) 4.900 2.935 ( 2.887 -0.888 2.594) 3.981 3.034 ( -0.048 -3.337 -1.395) 3.618 3.086 ( -2.321 -0.946 -0.356) 2.531 3.130 ( 2.890 1.639 -0.641) 3.384 3.148 ( 1.170 0.923 -0.769) 1.677 3.237 ( 5.624 -1.441 1.136) 5.915 3.250 ( 0.192 -5.278 -1.215) 5.420 3.283 ( 3.125 -0.729 -6.922) 7.630 3.336 ( -1.312 3.189 -4.016) 5.293 3.420 ( 2.036 0.601 1.101) 2.392 3.478 ( 1.259 -4.896 1.202) 5.196 3.510 ( 3.190 2.739 3.740) 5.628 3.566 ( 0.107 -1.929 0.028) 1.932 3.635 ( -3.815 2.370 -1.611) 4.771 3.750 ( 1.225 -3.800 0.232) 3.999 3.772 ( 6.406 0.231 1.816) 6.662 3.824 ( -0.240 0.905 -0.409) 1.022 3.905 ( 1.376 3.895 -1.547) 4.411 3.932 ( -0.173 -0.792 1.476) 1.684 4.047 ( 1.170 0.821 -6.147) 6.311 4.096 ( 0.710 -1.708 -1.612) 2.454 4.147 ( -0.603 -1.135 1.394) 1.896 4.178 ( -0.546 1.969 -5.522) 5.888 4.221 ( 0.479 -0.887 -2.641) 2.827 4.258 ( -0.303 -3.263 -0.306) 3.291 4.340 ( -1.143 -0.027 1.402) 1.809 4.381 ( -0.798 1.302 3.956) 4.240 4.411 ( -0.209 -0.724 -2.445) 2.558 4.484 ( 4.644 0.186 4.359) 6.372 4.513 ( 0.153 -0.614 -0.444) 0.773 4.538 ( -2.099 1.052 -1.155) 2.617 4.600 ( -2.125 -0.785 6.915) 7.277 4.676 ( 0.579 -1.678 0.417) 1.823 4.716 ( -1.005 -0.528 0.708) 1.338 4.868 ( 0.924 -1.993 -2.829) 3.582 4.940 ( 3.164 2.043 -1.061) 3.913 5.063 ( 1.899 0.501 2.267) 3.000 5.093 ( 0.040 -0.824 -0.552) 0.993 5.208 ( -1.802 2.207 5.302) 6.019 5.221 ( 1.714 2.177 -0.725) 2.864 5.310 ( -0.078 -3.888 3.951) 5.544 5.368 ( -0.751 0.356 2.085) 2.244 5.482 ( 0.814 -1.666 1.244) 2.233 5.664 ( 0.239 0.341 -3.155) 3.182 5.826 ( -2.262 2.721 0.005) 3.539 6.059 ( -6.981 -4.791 -3.392) 9.121 6.238 ( -0.464 -2.291 -0.637) 2.423 6.353 ( -1.901 0.913 -3.567) 4.144 6.479 ( -1.421 0.923 4.962) 5.244 6.572 ( -0.483 5.567 4.967) 7.477 6.812 ( -5.161 -0.329 -1.285) 5.328 6.830 ( -0.102 0.579 1.314) 1.439 6.910 ( 0.240 3.176 -3.661) 4.853 7.093 ( 0.762 -2.124 -3.241) 3.950 8.649 ( -2.249 0.861 0.585) 2.478 8.686 ( -3.701 2.854 -0.348) 4.687 8.992 ( -0.817 -4.258 1.057) 4.462 9.041 ( 1.055 -2.559 -0.498) 2.812 9.129 ( -0.291 1.246 1.201) 1.755 9.173 ( -1.475 -0.233 -1.574) 2.170 9.389 ( 0.544 2.859 0.381) 2.935 9.443 ( 0.913 -0.999 -0.724) 1.535 10.055 ( 0.039 2.072 -1.503) 2.560 10.080 ( -0.289 0.199 0.753) 0.831 10.167 ( 0.747 0.100 0.784) 1.087 10.212 ( -0.472 0.039 -1.021) 1.125 10.402 ( -0.197 -1.570 0.216) 1.597 10.456 ( 0.178 -1.767 -0.001) 1.776 10.547 ( -1.148 -1.326 0.293) 1.779 10.557 ( 0.059 -0.184 -1.816) 1.827 10.753 ( -0.451 1.327 -0.233) 1.421 10.801 ( -1.813 2.163 1.005) 2.995 10.833 ( 0.286 4.968 2.502) 5.569 10.916 ( -2.025 2.384 -1.562) 3.496 11.061 ( 0.021 -0.984 0.718) 1.218 11.178 ( -0.401 5.627 0.606) 5.674 11.377 ( 2.017 1.465 -1.390) 2.854 11.422 ( 2.588 2.219 -5.843) 6.765 11.745 ( 3.960 0.377 -0.904) 4.079 11.771 ( 2.338 -0.981 -1.638) 3.018 11.938 ( 0.995 -2.850 3.400) 4.546 11.979 ( 0.419 -1.913 1.392) 2.402 12.229 ( 0.233 -0.271 0.671) 0.760 12.320 ( 2.694 -0.930 2.798) 3.994 12.378 ( -1.210 -0.374 -1.283) 1.803 12.492 ( 1.909 2.197 1.650) 3.345 13.511 ( -5.287 -2.227 -4.437) 7.253 13.664 ( -0.122 -2.183 0.422) 2.226 13.752 ( -1.817 -0.404 -0.273) 1.881 13.847 ( -2.049 -1.207 -2.273) 3.290 14.216 ( -0.105 -8.233 9.764) 12.772 14.324 ( -1.571 -3.696 0.853) 4.106 14.576 ( 0.234 2.864 1.232) 3.126 14.688 ( 0.046 -0.562 0.420) 0.703 22.303 ( -0.126 6.520 0.477) 6.539 22.420 ( -3.588 17.158 -3.812) 17.939 22.918 ( -0.474 -2.841 0.995) 3.047 22.999 ( -0.344 0.008 -0.947) 1.008 23.248 ( 0.544 3.433 2.513) 4.289 23.573 ( 1.785 0.587 -8.407) 8.615 23.761 ( -1.196 -0.196 0.434) 1.287 23.872 ( -1.756 2.699 -3.823) 4.998 23.973 ( 0.033 -4.280 2.288) 4.853 24.090 ( 0.935 -4.384 -2.162) 4.977 24.263 ( -0.587 2.141 2.587) 3.409 24.277 ( 1.995 2.177 1.212) 3.192 24.355 ( 0.968 1.613 -1.146) 2.202 24.447 ( 0.648 -1.427 0.713) 1.721 24.474 ( -3.143 1.524 0.601) 3.544 24.511 ( -0.963 0.981 0.434) 1.441 24.716 ( -1.063 0.368 4.199) 4.347 24.911 ( -1.663 -1.595 8.336) 8.649 24.962 ( -1.378 1.664 1.533) 2.649 25.284 ( 2.433 -2.170 -4.972) 5.946 25.467 ( 0.352 1.452 5.126) 5.340 25.662 ( 1.520 -0.767 10.918) 11.050 25.875 ( -1.666 6.617 -3.498) 7.668 26.683 ( -5.240 -4.128 -6.190) 9.100 27.211 ( 4.219 -1.059 1.843) 4.724 27.305 ( 0.917 1.175 0.399) 1.543 27.322 ( 1.124 -0.903 -0.947) 1.725 27.403 ( -2.123 -1.435 2.211) 3.385 27.606 ( 1.184 2.449 0.078) 2.721 27.789 ( -0.933 -1.408 4.598) 4.899 28.123 ( 1.567 -5.114 -5.328) 7.550 28.137 ( 0.722 -6.199 -6.055) 8.695 ======================= Grid point 58 (26/64) ======================= q-point: (-0.50 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( -0.676 -0.574 -5.705) 5.774 1.176 ( -5.735 13.136 7.279) 16.076 1.347 ( -2.355 17.341 14.021) 22.424 1.558 ( -8.573 3.443 -16.510) 18.919 1.870 ( 1.378 1.792 -0.625) 2.346 1.940 ( 5.187 4.363 -11.557) 13.398 2.028 ( 3.847 3.426 -0.196) 5.156 2.047 ( -3.235 5.330 -1.715) 6.466 2.111 ( -1.410 1.396 -7.159) 7.428 2.177 ( 0.546 3.418 -2.845) 4.480 2.314 ( -3.651 0.173 5.362) 6.489 2.395 ( -1.063 8.832 0.958) 8.947 2.438 ( -2.037 1.309 3.441) 4.208 2.492 ( -1.334 2.373 11.102) 11.431 2.576 ( -1.321 0.318 3.799) 4.035 2.735 ( 2.416 -1.803 6.991) 7.613 2.770 ( -0.223 -3.103 -0.923) 3.245 2.927 ( -3.257 -5.262 -0.210) 6.192 2.979 ( 1.620 -1.573 -0.638) 2.346 3.023 ( -4.371 1.688 -1.543) 4.933 3.065 ( 1.061 0.507 -0.208) 1.194 3.117 ( 0.434 2.529 -4.030) 4.777 3.192 ( -0.385 -1.766 0.682) 1.932 3.218 ( 2.790 0.639 -1.570) 3.264 3.299 ( 1.753 -1.924 -4.317) 5.041 3.375 ( 3.690 -1.548 2.061) 4.501 3.405 ( 3.493 -3.211 -3.109) 5.673 3.448 ( 0.092 1.463 -0.352) 1.507 3.474 ( -1.396 -5.170 0.691) 5.400 3.538 ( 0.989 1.413 4.078) 4.428 3.576 ( 0.883 4.490 4.343) 6.308 3.610 ( 2.040 -0.285 2.318) 3.101 3.772 ( -0.043 -6.902 1.054) 6.982 3.824 ( 1.134 -2.275 0.537) 2.598 3.862 ( 1.565 5.662 1.957) 6.192 3.914 ( 0.303 2.294 3.924) 4.555 3.929 ( -0.597 0.369 -1.242) 1.426 4.050 ( -0.464 -0.692 -6.262) 6.317 4.100 ( 0.113 -0.819 -1.682) 1.875 4.162 ( 1.381 1.163 1.244) 2.192 4.199 ( 2.445 0.785 -3.470) 4.317 4.219 ( -0.033 -1.200 -1.916) 2.261 4.272 ( 0.954 -1.751 -0.880) 2.179 4.311 ( -1.702 -0.893 1.820) 2.647 4.370 ( 0.785 1.260 4.599) 4.833 4.412 ( 0.358 -1.946 -1.461) 2.459 4.477 ( -1.818 -1.258 0.920) 2.394 4.494 ( -1.594 1.006 -0.477) 1.944 4.581 ( 2.612 0.488 3.567) 4.448 4.609 ( 2.224 1.018 6.270) 6.730 4.665 ( -1.871 -2.675 -2.582) 4.162 4.703 ( -0.203 1.385 1.301) 1.911 4.881 ( 0.652 -2.846 -1.852) 3.457 4.966 ( -0.690 0.636 -1.879) 2.100 5.080 ( 0.061 -1.884 -0.660) 1.997 5.106 ( 0.681 1.510 2.640) 3.117 5.174 ( -1.823 1.426 7.112) 7.479 5.245 ( 0.464 2.810 -0.735) 2.941 5.319 ( 0.782 -3.399 3.913) 5.241 5.345 ( -1.751 0.591 -0.187) 1.858 5.480 ( -1.268 -2.173 0.209) 2.525 5.653 ( -1.206 -1.626 -4.662) 5.082 5.804 ( 0.318 3.237 -0.849) 3.362 5.944 ( -4.339 -0.668 -7.700) 8.863 6.232 ( -0.152 -2.350 -0.429) 2.393 6.332 ( 0.190 0.538 -3.049) 3.102 6.470 ( 0.097 1.704 5.232) 5.504 6.572 ( 0.265 6.105 4.782) 7.759 6.735 ( -2.479 0.326 -2.564) 3.581 6.853 ( 2.446 -0.293 2.782) 3.716 6.909 ( -0.149 3.105 -3.825) 4.929 7.099 ( 0.009 -2.926 -4.362) 5.252 8.623 ( -0.902 0.790 0.536) 1.314 8.652 ( 0.857 2.695 -0.284) 2.842 8.975 ( -0.520 -3.848 1.046) 4.022 9.070 ( 1.331 -2.121 -0.950) 2.678 9.119 ( -0.806 0.062 1.004) 1.289 9.160 ( 0.294 -0.606 -1.018) 1.220 9.391 ( -0.367 3.611 0.348) 3.647 9.451 ( -0.015 -1.875 -0.954) 2.104 10.056 ( -0.052 1.700 -0.694) 1.837 10.074 ( -0.101 0.964 -0.405) 1.050 10.181 ( 0.341 1.597 0.557) 1.725 10.210 ( 0.632 -1.369 -0.567) 1.611 10.400 ( 0.509 -0.050 0.206) 0.551 10.445 ( -1.396 -3.847 0.418) 4.113 10.541 ( -0.215 1.285 -1.590) 2.056 10.567 ( 1.812 -2.715 -0.482) 3.300 10.751 ( 0.098 2.631 0.464) 2.674 10.773 ( -0.816 1.529 -0.042) 1.734 10.842 ( 0.177 4.329 2.874) 5.199 10.911 ( 1.380 0.780 0.230) 1.602 11.064 ( 0.115 -0.059 1.206) 1.213 11.160 ( -1.293 3.923 0.194) 4.135 11.389 ( 0.059 2.050 -1.294) 2.425 11.483 ( 3.454 1.200 -5.977) 7.006 11.777 ( -0.605 0.386 -1.305) 1.490 11.793 ( 0.036 -0.786 -1.245) 1.472 11.955 ( 0.578 -3.208 3.904) 5.086 11.986 ( 0.132 -2.145 1.391) 2.560 12.247 ( 1.629 -1.015 1.955) 2.740 12.336 ( -2.031 -3.250 0.301) 3.844 12.385 ( 2.763 2.747 2.289) 4.519 12.524 ( 1.340 1.724 2.207) 3.104 13.401 ( -5.847 -0.424 -6.499) 8.753 13.645 ( -1.787 -2.692 -0.860) 3.343 13.731 ( -0.709 0.349 -0.586) 0.984 13.798 ( -2.302 -0.645 -5.026) 5.565 14.198 ( -2.796 -4.700 9.593) 11.042 14.331 ( 2.366 -3.754 1.137) 4.581 14.590 ( 1.023 3.036 2.475) 4.048 14.680 ( -0.746 -0.113 -0.872) 1.153 22.302 ( -0.016 6.416 0.407) 6.428 22.388 ( 0.154 15.248 -2.327) 15.425 22.913 ( -0.122 -2.843 1.067) 3.039 22.993 ( -0.163 0.380 -1.028) 1.108 23.255 ( -0.181 2.529 2.959) 3.897 23.591 ( 0.621 -0.412 -7.096) 7.135 23.755 ( 0.708 0.051 0.564) 0.906 23.834 ( -1.818 2.199 -3.871) 4.809 23.971 ( -0.399 -2.438 2.216) 3.319 24.093 ( -0.513 -4.966 -1.342) 5.170 24.248 ( -1.008 1.483 2.891) 3.402 24.293 ( -0.567 2.988 1.659) 3.464 24.388 ( 2.029 1.548 -0.768) 2.665 24.430 ( -1.103 1.399 -1.259) 2.182 24.456 ( 0.151 -0.631 0.101) 0.657 24.513 ( 1.155 0.189 -0.405) 1.239 24.715 ( 0.754 0.273 5.290) 5.350 24.887 ( -1.334 -1.483 6.580) 6.875 24.947 ( -0.415 2.231 -0.607) 2.349 25.328 ( 2.069 -2.517 -3.373) 4.689 25.477 ( 0.349 2.039 5.446) 5.826 25.723 ( 3.942 -1.862 12.470) 13.210 25.855 ( -0.301 5.863 -3.940) 7.070 26.587 ( -3.692 -2.893 -10.205) 11.232 27.269 ( 0.373 -1.396 1.455) 2.050 27.313 ( 1.451 0.331 -0.173) 1.498 27.353 ( -1.631 -0.338 1.658) 2.350 27.358 ( 1.189 -0.633 0.928) 1.636 27.642 ( 2.081 1.484 3.272) 4.152 27.773 ( -0.844 -1.639 4.086) 4.483 28.114 ( -1.361 -4.320 -6.645) 8.042 28.146 ( 0.008 -5.578 -5.772) 8.027 ======================= Grid point 59 (27/64) ======================= q-point: (-0.33 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( -11.427 8.261 2.555) 14.330 0.993 ( -11.830 11.760 7.427) 18.260 1.307 ( -4.305 17.337 14.653) 23.104 1.438 ( -2.361 5.487 -18.109) 19.069 1.859 ( -2.740 2.654 -3.950) 5.492 1.919 ( -3.855 5.747 -6.712) 9.641 2.026 ( -2.254 2.651 1.573) 3.818 2.123 ( 4.528 7.225 -0.294) 8.532 2.140 ( 2.389 -1.939 0.068) 3.078 2.225 ( 6.358 -0.048 -6.464) 9.066 2.264 ( 0.368 -3.745 1.560) 4.074 2.390 ( 0.977 7.173 5.702) 9.215 2.452 ( 1.398 6.513 0.602) 6.688 2.516 ( 3.885 0.223 6.457) 7.539 2.590 ( 0.195 -1.567 2.255) 2.753 2.679 ( -5.513 4.438 -2.055) 7.370 2.795 ( 2.484 -0.340 1.679) 3.017 2.902 ( 0.200 -5.743 1.918) 6.058 2.958 ( 1.195 -0.836 -2.096) 2.553 3.034 ( 3.386 -2.854 0.719) 4.487 3.100 ( 0.603 1.063 1.097) 1.642 3.120 ( 0.140 2.273 -1.644) 2.809 3.183 ( -1.602 1.354 0.755) 2.229 3.247 ( 0.764 -1.906 -0.951) 2.263 3.329 ( 0.421 -2.457 -0.295) 2.511 3.357 ( -2.643 0.094 -1.158) 2.887 3.397 ( -2.248 -3.851 3.260) 5.523 3.439 ( -2.459 2.726 -0.230) 3.678 3.482 ( 1.252 0.987 -1.400) 2.122 3.545 ( -2.121 -2.280 2.908) 4.261 3.602 ( 2.656 -1.638 1.137) 3.321 3.677 ( 3.392 -1.085 -0.899) 3.673 3.760 ( -1.823 -6.773 0.279) 7.020 3.846 ( 0.016 -0.293 0.674) 0.735 3.858 ( 0.983 5.171 1.282) 5.417 3.897 ( -2.157 -0.203 1.637) 2.716 3.938 ( 0.136 0.599 1.093) 1.254 4.012 ( -2.528 -0.540 -7.043) 7.502 4.103 ( -0.420 -2.420 0.375) 2.484 4.167 ( -0.408 -0.826 -4.364) 4.460 4.209 ( -0.921 -0.014 -1.846) 2.063 4.239 ( 1.364 0.751 -1.415) 2.104 4.271 ( -0.215 -0.100 1.372) 1.392 4.332 ( 2.497 1.980 2.294) 3.926 4.402 ( 1.351 -0.161 -1.219) 1.827 4.413 ( 0.119 -0.607 2.324) 2.405 4.439 ( -2.152 -1.361 0.478) 2.591 4.481 ( -0.309 -1.853 2.728) 3.312 4.610 ( -0.796 -1.699 -0.697) 2.002 4.633 ( -0.581 3.143 -0.659) 3.263 4.654 ( 3.150 -0.505 4.040) 5.148 4.707 ( 0.849 1.372 0.561) 1.708 4.895 ( -0.007 -4.383 -0.763) 4.449 4.920 ( -2.986 -0.082 -3.471) 4.579 5.076 ( -1.832 -0.305 2.452) 3.076 5.090 ( -0.950 0.326 0.678) 1.212 5.178 ( 2.439 1.287 8.435) 8.874 5.244 ( 0.167 3.431 2.646) 4.336 5.301 ( -2.194 -1.240 -1.492) 2.929 5.346 ( 1.491 1.070 6.230) 6.495 5.444 ( -1.917 -1.926 1.690) 3.200 5.626 ( -1.030 -2.655 -8.291) 8.766 5.828 ( 0.950 2.968 1.941) 3.671 5.884 ( -1.443 1.465 -9.327) 9.551 6.236 ( 0.694 -2.167 -0.741) 2.393 6.350 ( 1.293 1.117 -3.165) 3.597 6.484 ( 0.941 2.070 6.103) 6.513 6.590 ( 1.321 4.953 5.656) 7.633 6.721 ( 1.058 0.496 -2.898) 3.125 6.897 ( -0.013 2.687 -3.730) 4.597 6.922 ( 3.406 -0.576 2.585) 4.314 7.094 ( -0.091 -2.651 -4.261) 5.019 8.631 ( 1.879 0.108 0.197) 1.892 8.703 ( 4.021 3.214 -0.025) 5.148 8.978 ( 0.727 -4.355 0.400) 4.433 9.073 ( -0.924 0.038 0.382) 1.001 9.111 ( -0.027 -0.664 0.493) 0.827 9.184 ( 2.311 -0.976 -0.881) 2.659 9.374 ( -1.498 2.846 0.034) 3.217 9.443 ( -0.783 -1.662 -0.899) 2.045 10.055 ( 0.196 1.228 0.048) 1.245 10.076 ( 0.153 1.684 -0.897) 1.914 10.172 ( -1.137 1.502 0.334) 1.914 10.239 ( 2.149 -2.010 -0.307) 2.959 10.406 ( -0.919 -2.333 0.498) 2.556 10.438 ( 1.797 -1.635 -0.248) 2.443 10.537 ( -0.021 0.958 -1.703) 1.954 10.604 ( 1.567 -3.451 0.321) 3.804 10.761 ( 1.651 2.124 -0.002) 2.690 10.777 ( 0.744 3.177 0.305) 3.277 10.840 ( -0.563 2.914 2.308) 3.759 10.951 ( 2.497 0.514 0.209) 2.558 11.054 ( -1.407 0.201 0.258) 1.445 11.155 ( 1.423 5.515 0.465) 5.714 11.384 ( -0.664 0.948 -1.382) 1.803 11.536 ( 2.237 1.361 -5.400) 6.002 11.726 ( -4.394 0.455 -1.238) 4.587 11.775 ( -1.695 -0.677 -1.912) 2.643 11.953 ( -1.257 -3.686 3.035) 4.937 11.986 ( -0.088 -2.122 1.588) 2.652 12.281 ( -0.026 -2.560 0.746) 2.666 12.305 ( 0.767 -1.504 1.556) 2.296 12.429 ( 1.312 2.565 2.064) 3.544 12.551 ( 1.487 -0.098 3.353) 3.669 13.292 ( -4.726 1.097 -2.943) 5.674 13.604 ( -1.967 -1.919 -2.067) 3.439 13.726 ( 0.011 -0.028 0.324) 0.326 13.766 ( -0.623 -0.240 -4.336) 4.387 14.135 ( -3.824 -1.700 6.138) 7.429 14.385 ( 2.594 -4.165 2.575) 5.541 14.606 ( 0.066 0.431 1.516) 1.578 14.664 ( -0.648 0.647 -0.368) 0.986 22.303 ( 0.095 6.469 0.459) 6.486 22.425 ( 4.136 17.405 -3.815) 18.292 22.914 ( 0.065 -2.784 0.953) 2.943 22.992 ( 0.163 0.511 -1.009) 1.143 23.244 ( -0.857 3.205 2.445) 4.121 23.581 ( -1.600 0.109 -8.617) 8.765 23.790 ( 2.861 0.221 1.166) 3.098 23.808 ( -0.586 2.429 -2.999) 3.904 23.958 ( -1.149 -0.922 1.590) 2.167 24.074 ( -1.293 -5.269 -0.916) 5.502 24.229 ( -1.054 0.746 1.940) 2.330 24.265 ( -1.937 2.953 1.079) 3.692 24.410 ( 0.467 0.614 -1.422) 1.618 24.428 ( -0.172 0.680 -0.427) 0.821 24.470 ( 2.016 0.905 -0.722) 2.324 24.546 ( 2.061 -0.075 0.860) 2.234 24.752 ( 2.962 -0.363 6.786) 7.413 24.864 ( -1.491 -1.345 5.696) 6.039 24.944 ( 0.195 2.389 -1.705) 2.942 25.348 ( 0.082 -2.770 -1.663) 3.232 25.483 ( -0.104 2.505 5.628) 6.161 25.820 ( 5.111 -2.688 11.842) 13.175 25.869 ( 2.884 4.284 2.634) 5.797 26.555 ( 1.201 -1.654 -11.527) 11.706 27.238 ( -2.565 -1.767 0.930) 3.250 27.311 ( -1.781 1.153 0.903) 2.306 27.353 ( 1.762 -0.195 -0.777) 1.935 27.404 ( 2.615 -1.241 2.784) 4.016 27.673 ( 0.579 0.504 4.889) 4.949 27.758 ( -1.347 -3.419 2.264) 4.316 28.053 ( -5.088 -5.588 -9.596) 12.215 28.142 ( 0.037 -3.677 -4.588) 5.880 ======================= Grid point 60 (28/64) ======================= q-point: (-0.17 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( -3.934 12.637 18.067) 22.396 0.795 ( -8.537 16.101 13.543) 22.706 1.189 ( -7.393 26.364 20.071) 33.949 1.478 ( 7.126 4.709 -15.816) 17.975 1.786 ( -2.925 9.881 -11.675) 15.572 1.856 ( -2.583 -0.436 0.470) 2.662 1.952 ( -4.866 -1.225 -0.268) 5.025 2.138 ( 1.289 0.172 6.489) 6.618 2.260 ( 5.206 -0.649 3.989) 6.591 2.316 ( 5.358 -2.090 -1.402) 5.920 2.338 ( 2.343 2.637 -1.696) 3.914 2.389 ( -0.391 4.433 7.279) 8.532 2.492 ( 0.292 7.480 0.682) 7.517 2.499 ( -2.563 -0.083 2.625) 3.670 2.599 ( 4.625 0.113 1.423) 4.840 2.738 ( 6.676 1.648 -2.138) 7.201 2.860 ( 2.381 1.827 -0.270) 3.013 2.904 ( 1.801 -3.814 2.685) 5.000 3.004 ( 1.177 -2.194 -3.918) 4.642 3.053 ( -0.784 -0.438 -1.140) 1.452 3.085 ( -1.751 2.955 0.325) 3.450 3.111 ( -4.460 -0.193 -1.158) 4.612 3.169 ( 4.122 -0.816 0.833) 4.284 3.261 ( -0.022 -3.398 -0.029) 3.399 3.284 ( -3.724 1.566 -2.612) 4.811 3.321 ( -2.041 -3.787 1.067) 4.432 3.357 ( -3.572 0.242 0.593) 3.629 3.415 ( 0.640 0.682 0.804) 1.234 3.461 ( -1.827 -1.789 2.138) 3.333 3.518 ( -1.112 1.173 -2.110) 2.658 3.616 ( -2.299 -2.411 -0.517) 3.371 3.661 ( -5.010 -3.646 1.757) 6.441 3.734 ( 0.579 -3.985 -7.164) 8.218 3.816 ( -2.024 1.253 0.757) 2.498 3.847 ( -3.644 -2.063 5.612) 7.002 3.892 ( 0.338 2.490 -1.007) 2.707 3.936 ( 1.114 -0.118 -2.760) 2.979 3.987 ( 0.909 -0.062 -3.824) 3.930 4.075 ( -2.380 -2.616 0.658) 3.598 4.141 ( -2.118 -2.728 -9.015) 9.654 4.189 ( -0.281 0.457 -1.396) 1.495 4.235 ( -1.193 0.555 -3.716) 3.942 4.277 ( 0.005 0.979 1.359) 1.674 4.375 ( 1.326 1.211 2.681) 3.226 4.391 ( -1.410 -2.991 2.132) 3.935 4.424 ( -0.932 -0.826 0.199) 1.261 4.431 ( 2.688 2.324 -0.899) 3.665 4.492 ( 1.589 -0.229 2.249) 2.763 4.587 ( -1.168 6.470 -8.965) 11.117 4.624 ( 0.266 -1.228 0.884) 1.536 4.696 ( 0.047 -3.581 3.142) 4.764 4.739 ( 1.376 -1.359 2.947) 3.524 4.845 ( -2.559 -0.888 -0.159) 2.713 4.895 ( -1.156 -0.490 -3.711) 3.918 5.026 ( -2.096 0.576 2.866) 3.597 5.084 ( -0.386 -0.642 -1.150) 1.372 5.187 ( -1.468 0.815 -0.889) 1.900 5.259 ( -1.692 -2.791 -1.945) 3.799 5.314 ( 2.386 1.963 5.788) 6.562 5.419 ( 0.367 0.072 2.210) 2.241 5.463 ( 10.688 0.029 16.592) 19.737 5.629 ( 4.389 -3.023 -3.617) 6.441 5.777 ( -4.999 2.964 -3.079) 6.577 5.908 ( 2.732 3.350 1.743) 4.661 6.252 ( 0.817 -1.849 -0.992) 2.251 6.367 ( 0.831 2.105 -3.532) 4.195 6.506 ( 0.926 2.357 6.126) 6.629 6.617 ( 0.793 2.756 6.692) 7.281 6.763 ( 3.190 0.934 -2.784) 4.336 6.895 ( 0.278 3.273 -3.845) 5.057 6.980 ( 1.931 -1.930 2.199) 3.506 7.098 ( 0.779 -2.279 -2.249) 3.295 8.688 ( 3.735 -0.350 0.072) 3.752 8.776 ( 2.699 2.494 -0.275) 3.685 8.996 ( 1.112 -3.592 0.209) 3.766 9.063 ( 0.251 0.994 0.029) 1.025 9.104 ( -0.721 0.052 1.728) 1.874 9.238 ( 2.946 -1.297 -1.187) 3.430 9.341 ( -1.477 2.519 -0.478) 2.959 9.420 ( -1.497 -1.612 -0.660) 2.296 10.063 ( 0.342 1.543 0.804) 1.773 10.077 ( 0.212 1.226 -1.236) 1.753 10.144 ( -1.568 1.166 0.175) 1.961 10.269 ( 0.073 -4.111 -0.761) 4.181 10.401 ( 1.303 -0.832 1.381) 2.073 10.483 ( 2.405 -1.351 -0.497) 2.803 10.538 ( 0.119 0.252 -1.266) 1.297 10.617 ( -0.698 -3.714 1.029) 3.917 10.775 ( -0.596 0.303 0.652) 0.934 10.812 ( 1.547 3.784 1.417) 4.326 10.841 ( 2.477 3.151 -1.495) 4.278 10.994 ( 1.547 1.773 -0.938) 2.533 11.038 ( 0.869 0.224 -1.215) 1.511 11.206 ( 2.837 7.802 0.455) 8.314 11.352 ( -2.891 -0.743 -0.749) 3.078 11.546 ( -1.605 2.313 -5.662) 6.323 11.639 ( -3.512 0.504 -2.092) 4.119 11.728 ( -3.711 -0.777 -4.638) 5.991 11.915 ( -2.341 -3.561 2.151) 4.773 11.983 ( -0.392 -2.050 1.735) 2.714 12.257 ( -1.095 -1.697 -0.501) 2.081 12.351 ( 2.405 -0.936 1.817) 3.156 12.433 ( -0.549 1.648 0.196) 1.748 12.524 ( -7.199 -2.744 -5.186) 9.287 13.324 ( 11.808 -2.299 20.318) 23.612 13.587 ( 0.850 -1.029 -0.549) 1.443 13.724 ( -0.246 -0.096 0.483) 0.551 13.775 ( 1.669 0.043 -1.642) 2.341 14.071 ( -2.996 -0.028 3.465) 4.581 14.417 ( 0.523 -4.437 1.844) 4.833 14.594 ( -0.731 -0.818 -0.815) 1.367 14.653 ( -0.991 0.310 0.550) 1.175 22.305 ( 0.093 6.651 0.597) 6.679 22.549 ( 9.136 21.357 -11.303) 25.834 22.913 ( -0.174 -2.862 0.902) 3.006 22.997 ( 0.314 0.308 -0.868) 0.973 23.247 ( 1.985 6.764 0.260) 7.054 23.510 ( -5.721 3.333 -10.812) 12.678 23.807 ( 0.563 1.565 -0.931) 1.906 23.855 ( 3.472 0.457 0.842) 3.602 23.932 ( -1.502 0.077 1.079) 1.851 24.047 ( -1.358 -5.064 -0.936) 5.326 24.218 ( -0.035 0.155 1.266) 1.276 24.235 ( -1.133 2.780 0.403) 3.029 24.412 ( -1.155 -0.338 -1.264) 1.745 24.417 ( 0.431 0.193 -1.648) 1.714 24.517 ( 2.375 0.971 1.062) 2.777 24.580 ( 1.164 0.509 1.201) 1.748 24.825 ( 0.650 -1.278 4.448) 4.674 24.850 ( 3.262 -1.892 7.664) 8.542 24.958 ( 1.889 2.291 -1.754) 3.449 25.329 ( -1.958 -2.608 -1.639) 3.650 25.477 ( -0.664 2.468 5.464) 6.032 25.868 ( 1.021 3.344 -4.689) 5.849 26.037 ( 12.216 -10.539 27.535) 31.913 26.636 ( 8.620 0.277 -7.845) 11.659 27.190 ( -2.522 -2.236 0.238) 3.379 27.284 ( -1.213 1.763 -0.154) 2.145 27.377 ( 1.035 0.154 -0.710) 1.265 27.451 ( 0.487 -5.980 4.392) 7.436 27.620 ( -9.876 -4.587 -4.107) 11.638 27.703 ( -3.211 -0.577 3.429) 4.733 27.931 ( -5.082 -0.951 -5.512) 7.557 28.142 ( 0.125 -3.249 -4.190) 5.304 ======================= Grid point 61 (29/64) ======================= q-point: ( 0.00 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( -1.290 18.953 10.773) 21.839 1.172 ( 6.382 18.830 20.152) 28.309 1.654 ( 2.616 8.130 -5.344) 10.075 1.725 ( 1.747 8.726 5.802) 10.623 1.814 ( -0.588 1.633 0.284) 1.759 1.873 ( -0.058 7.186 0.056) 7.186 2.008 ( 3.294 10.701 -4.199) 11.958 2.193 ( 2.263 -4.559 9.727) 10.978 2.214 ( 1.615 2.550 5.798) 6.536 2.377 ( -3.234 3.405 0.538) 4.727 2.416 ( 2.026 1.126 3.310) 4.041 2.484 ( 1.411 3.503 0.532) 3.813 2.559 ( -2.139 4.708 0.482) 5.194 2.626 ( 3.178 1.368 5.115) 6.175 2.680 ( 4.731 -1.906 3.089) 5.963 2.748 ( -3.022 -1.516 -3.219) 4.669 2.849 ( 2.549 0.517 -3.025) 3.990 2.914 ( -1.798 -2.375 -1.305) 3.253 2.968 ( -1.580 -4.570 -1.876) 5.187 3.043 ( -2.684 -0.510 -5.099) 5.785 3.053 ( -2.198 1.880 2.541) 3.851 3.105 ( -2.028 2.628 -2.733) 4.299 3.123 ( 3.586 -2.627 -1.111) 4.582 3.182 ( -2.000 -2.204 -1.538) 3.350 3.271 ( -1.658 0.115 1.805) 2.454 3.283 ( 4.225 0.100 0.540) 4.260 3.335 ( 1.080 0.254 -1.112) 1.570 3.402 ( -3.742 -1.728 -0.602) 4.165 3.419 ( -3.858 -1.855 0.756) 4.347 3.436 ( -1.879 2.500 -0.250) 3.138 3.564 ( -3.430 2.730 -3.682) 5.725 3.665 ( 0.611 1.934 -1.184) 2.348 3.696 ( -2.498 -6.443 -0.009) 6.910 3.700 ( 1.098 -0.132 1.467) 1.837 3.733 ( -1.787 -3.138 1.950) 4.104 3.868 ( -1.249 -3.755 -0.382) 3.975 3.926 ( -0.135 -6.997 -2.220) 7.342 3.996 ( 4.020 -0.597 -6.519) 7.682 4.058 ( 1.010 -2.863 1.239) 3.279 4.116 ( 3.233 6.076 -2.799) 7.430 4.205 ( -2.357 4.728 -5.274) 7.465 4.240 ( -0.283 2.630 -5.200) 5.834 4.289 ( -0.473 2.742 2.613) 3.817 4.314 ( 0.533 -3.719 -5.486) 6.649 4.397 ( 0.706 -1.368 0.095) 1.542 4.433 ( -1.283 3.248 0.817) 3.586 4.490 ( -0.604 -0.547 -4.722) 4.792 4.522 ( -0.750 0.848 4.678) 4.813 4.561 ( -2.381 -3.860 1.203) 4.692 4.605 ( 1.966 -0.962 1.173) 2.483 4.682 ( -0.737 1.814 -7.599) 7.848 4.713 ( 1.080 -2.130 0.696) 2.487 4.813 ( 0.634 -0.603 0.968) 1.305 4.869 ( -1.059 -0.485 -2.170) 2.463 5.048 ( -0.240 2.798 1.466) 3.168 5.087 ( 0.276 0.021 -0.257) 0.378 5.174 ( -0.527 0.176 -0.732) 0.919 5.221 ( 0.485 0.986 -0.550) 1.229 5.325 ( -0.908 -2.215 0.651) 2.481 5.409 ( -1.149 -2.442 -0.786) 2.811 5.441 ( 0.106 -1.026 3.052) 3.221 5.692 ( 2.730 -1.487 15.379) 15.690 5.858 ( 4.662 -0.934 -2.411) 5.331 5.957 ( -0.693 -1.108 3.184) 3.442 6.262 ( -0.115 1.894 0.909) 2.104 6.410 ( 0.312 0.756 -2.813) 2.929 6.539 ( -0.379 1.839 5.807) 6.103 6.683 ( -0.416 3.179 4.451) 5.485 6.818 ( 1.772 -0.967 -1.607) 2.580 6.915 ( -1.616 -3.005 1.020) 3.561 6.985 ( 0.621 3.480 -2.104) 4.113 7.091 ( 0.158 -0.152 -0.715) 0.748 8.755 ( 1.467 0.607 0.226) 1.604 8.788 ( -1.058 0.609 -0.789) 1.453 8.962 ( -0.953 -2.889 0.193) 3.048 9.031 ( 0.116 -3.945 -0.566) 3.987 9.137 ( 1.509 2.105 2.378) 3.516 9.241 ( -0.489 -0.695 -0.701) 1.102 9.379 ( -1.362 0.737 -0.359) 1.590 9.392 ( 1.709 1.772 -0.250) 2.475 10.090 ( -0.276 1.245 0.132) 1.283 10.110 ( -0.171 1.770 -0.980) 2.030 10.133 ( -0.062 -0.605 0.091) 0.615 10.184 ( -0.374 -1.000 0.138) 1.077 10.420 ( -0.055 -0.670 1.997) 2.107 10.488 ( -0.279 -1.093 0.197) 1.145 10.507 ( 0.000 -1.429 -0.707) 1.595 10.567 ( -0.348 -2.450 -1.843) 3.085 10.753 ( -1.039 2.065 1.569) 2.794 10.937 ( 0.245 5.634 0.961) 5.721 10.941 ( 2.425 -1.871 -3.648) 4.763 11.034 ( -0.403 0.645 -1.220) 1.437 11.151 ( 4.910 5.952 -0.823) 7.759 11.228 ( -6.659 4.038 -0.499) 7.803 11.438 ( 1.806 6.908 0.177) 7.143 11.555 ( -0.130 1.046 -1.686) 1.988 11.596 ( -5.882 -0.794 -3.794) 7.044 11.619 ( 1.910 -1.084 -1.628) 2.733 11.836 ( 0.950 -4.380 2.375) 5.072 11.910 ( -0.476 -4.651 1.188) 4.824 12.242 ( 0.140 0.582 -0.285) 0.662 12.318 ( -3.686 -1.578 0.520) 4.043 12.422 ( -0.309 1.756 -2.385) 2.978 12.439 ( 0.024 0.488 -0.543) 0.730 13.432 ( 4.928 -3.180 10.592) 12.107 13.586 ( 2.369 -4.129 2.151) 5.224 13.735 ( 1.221 0.094 0.444) 1.302 13.801 ( 1.846 -1.215 0.362) 2.240 14.058 ( -0.231 1.287 3.583) 3.814 14.294 ( -1.376 -6.199 -0.790) 6.399 14.587 ( 1.011 -0.721 -0.423) 1.312 14.607 ( -1.160 -1.262 -1.138) 2.058 22.477 ( -0.049 10.117 2.347) 10.386 22.854 ( -0.145 4.036 -6.341) 7.518 22.856 ( 0.419 -2.977 1.289) 3.271 22.996 ( 0.040 -0.595 -2.538) 2.607 23.492 ( -2.667 5.431 -4.187) 7.358 23.532 ( 2.751 5.988 -13.878) 15.363 23.832 ( 2.022 -2.874 0.717) 3.586 23.880 ( -2.080 1.858 0.231) 2.799 23.924 ( 0.522 -0.709 -0.636) 1.086 23.987 ( 1.092 0.961 -4.471) 4.702 24.223 ( 0.649 -0.176 1.932) 2.046 24.270 ( 1.433 0.156 -0.434) 1.505 24.381 ( -1.265 0.085 -1.743) 2.155 24.415 ( -0.520 -0.461 -1.569) 1.716 24.563 ( 0.443 1.057 2.097) 2.390 24.600 ( -0.613 0.608 0.486) 0.991 24.784 ( -1.570 -0.569 3.816) 4.165 24.867 ( 2.080 -3.132 8.965) 9.721 25.026 ( 0.835 1.052 -2.690) 3.007 25.218 ( -2.083 -3.986 -2.970) 5.390 25.516 ( -1.047 2.916 6.419) 7.128 25.741 ( -5.622 -6.709 14.855) 17.242 26.108 ( 1.354 7.315 1.744) 7.641 26.677 ( 0.631 -8.157 -7.201) 10.899 27.162 ( 3.169 -0.233 -0.552) 3.225 27.177 ( -4.470 -0.701 -0.467) 4.549 27.315 ( -0.347 1.526 1.192) 1.967 27.399 ( 0.905 -0.738 0.552) 1.292 27.641 ( 4.248 1.892 3.255) 5.676 27.711 ( -1.468 4.227 0.446) 4.496 27.857 ( -0.103 -3.557 0.235) 3.566 28.055 ( -0.125 -5.524 -3.490) 6.535 ======================= Grid point 62 (30/64) ======================= q-point: ( 0.17 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( 0.793 17.543 6.206) 18.625 1.344 ( 9.263 15.931 18.445) 26.073 1.682 ( 1.973 9.049 -2.289) 9.540 1.726 ( -0.217 5.359 3.602) 6.460 1.864 ( -1.839 7.051 -3.470) 8.071 1.894 ( 6.303 2.012 3.504) 7.487 2.083 ( 2.624 9.870 -6.511) 12.112 2.208 ( -2.715 4.417 3.492) 6.251 2.255 ( 3.559 -3.837 9.193) 10.579 2.328 ( -1.096 2.672 2.176) 3.616 2.435 ( -2.966 2.969 -0.205) 4.201 2.483 ( -3.811 2.698 1.004) 4.776 2.505 ( 2.653 0.917 5.569) 6.236 2.659 ( -6.001 0.534 -1.042) 6.114 2.700 ( 0.376 -3.906 2.812) 4.827 2.758 ( 4.242 2.133 6.568) 8.104 2.858 ( -3.616 -0.926 -2.480) 4.482 2.860 ( -1.112 -2.047 -1.339) 2.687 2.931 ( -2.738 1.410 -5.635) 6.421 3.020 ( 3.177 -2.532 -3.448) 5.328 3.054 ( -2.228 4.105 0.213) 4.675 3.067 ( 1.892 1.069 0.134) 2.178 3.131 ( 0.246 0.767 -1.870) 2.036 3.191 ( -1.085 -3.511 -0.320) 3.689 3.219 ( -3.399 -0.227 0.765) 3.491 3.252 ( -3.062 0.874 0.262) 3.195 3.359 ( 1.851 -1.931 1.720) 3.180 3.389 ( 1.677 -0.933 -1.399) 2.375 3.419 ( 3.207 -1.740 -0.390) 3.670 3.473 ( 5.074 -0.396 -0.296) 5.098 3.508 ( -2.488 3.240 -6.272) 7.486 3.646 ( -0.327 -2.318 -0.030) 2.341 3.681 ( -1.503 -5.038 0.875) 5.330 3.714 ( 1.791 -1.451 0.245) 2.319 3.779 ( 4.398 -1.265 1.166) 4.723 3.860 ( 0.641 -2.303 -0.386) 2.421 3.919 ( -0.292 -4.670 -2.189) 5.166 4.060 ( 2.360 1.875 -3.442) 4.575 4.093 ( 2.004 -3.959 -2.351) 5.022 4.125 ( -2.585 7.496 -2.953) 8.462 4.185 ( 0.684 -0.162 -4.939) 4.989 4.242 ( 0.360 1.609 -3.296) 3.686 4.276 ( -0.685 3.538 1.910) 4.078 4.343 ( 2.238 -2.580 -2.280) 4.106 4.374 ( -2.982 -1.355 -1.262) 3.510 4.437 ( 0.008 1.058 1.523) 1.854 4.449 ( -0.640 2.444 -3.792) 4.557 4.493 ( -0.372 0.665 3.387) 3.472 4.562 ( 0.655 -3.997 2.072) 4.550 4.614 ( -1.319 0.649 -3.712) 3.993 4.662 ( -0.931 0.583 1.846) 2.148 4.719 ( 0.103 -0.189 -1.557) 1.572 4.843 ( -0.348 -0.633 -2.482) 2.585 4.868 ( 3.160 -1.953 1.085) 3.870 5.053 ( 0.644 1.210 1.146) 1.787 5.095 ( 0.442 0.294 0.727) 0.900 5.183 ( 1.479 -0.487 -2.753) 3.163 5.238 ( 1.287 1.565 0.051) 2.027 5.306 ( -1.224 -2.152 1.877) 3.106 5.376 ( -1.759 -0.930 1.097) 2.272 5.458 ( 0.898 0.654 6.725) 6.816 5.692 ( -1.280 1.592 4.821) 5.236 5.912 ( -1.963 1.193 0.144) 2.301 5.951 ( 1.117 -9.888 0.866) 9.988 6.249 ( -1.117 1.735 1.004) 2.294 6.397 ( -1.644 -0.069 -2.324) 2.848 6.530 ( -0.753 2.657 4.760) 5.503 6.675 ( -0.458 3.816 4.302) 5.769 6.835 ( 0.153 -1.442 -0.944) 1.730 6.865 ( -3.490 -2.540 0.897) 4.408 6.985 ( -0.296 3.824 -2.633) 4.652 7.081 ( -0.949 -0.006 -0.909) 1.314 8.722 ( -2.766 1.102 0.109) 2.979 8.803 ( -0.467 2.243 -0.601) 2.369 8.909 ( -2.352 -4.142 -0.092) 4.764 9.015 ( -2.176 -3.032 -0.096) 3.734 9.146 ( -0.383 0.272 2.519) 2.562 9.202 ( -2.843 -0.832 -0.757) 3.058 9.387 ( 1.900 1.368 -0.506) 2.395 9.437 ( 2.191 1.419 -0.058) 2.611 10.090 ( 0.180 1.251 0.450) 1.342 10.103 ( -0.133 1.811 -1.970) 2.680 10.143 ( 0.636 -0.252 0.848) 1.089 10.201 ( 1.769 -0.478 -0.227) 1.846 10.391 ( -2.255 -0.338 1.462) 2.709 10.464 ( -1.184 -0.333 -0.126) 1.236 10.527 ( 0.786 -1.667 -0.335) 1.873 10.544 ( -1.512 -2.562 -1.842) 3.499 10.758 ( 1.252 2.061 0.680) 2.506 10.913 ( -2.510 3.462 1.318) 4.475 10.945 ( -2.945 0.461 -1.190) 3.209 11.003 ( -1.437 -0.878 -1.462) 2.230 11.111 ( -3.652 7.336 0.193) 8.197 11.258 ( 4.544 4.382 -2.861) 6.931 11.419 ( -2.747 4.802 1.921) 5.856 11.498 ( -1.675 4.825 -4.083) 6.539 11.648 ( 6.377 0.123 -1.008) 6.458 11.674 ( 3.593 -2.696 -1.899) 4.877 11.856 ( 0.938 -3.866 2.569) 4.735 11.905 ( -0.126 -5.172 0.784) 5.233 12.235 ( -0.943 0.117 0.177) 0.966 12.266 ( -0.720 -1.011 1.224) 1.743 12.419 ( 0.122 2.263 -2.376) 3.283 12.476 ( 2.673 0.696 0.528) 2.813 13.486 ( 0.542 -3.956 4.111) 5.731 13.610 ( -0.012 -4.389 1.354) 4.594 13.754 ( 0.321 -0.558 0.847) 1.064 13.828 ( 0.724 -1.625 -0.268) 1.799 14.075 ( 1.267 -1.539 6.491) 6.790 14.262 ( -1.682 -5.535 -1.324) 5.934 14.590 ( 0.567 0.112 -0.669) 0.884 14.636 ( 2.626 -1.542 -0.112) 3.047 22.474 ( -0.328 10.021 2.178) 10.260 22.804 ( -3.794 7.028 -4.978) 9.411 22.866 ( -0.201 -2.710 -0.044) 2.718 22.993 ( -0.193 -0.828 -2.395) 2.541 23.402 ( -4.437 7.610 -3.879) 9.626 23.574 ( 1.295 1.801 -8.984) 9.254 23.821 ( -3.154 1.920 0.188) 3.697 23.865 ( 1.271 -4.244 0.657) 4.479 23.946 ( 0.638 1.925 -1.269) 2.393 24.002 ( 0.633 -1.413 -3.960) 4.252 24.253 ( 2.458 0.449 1.402) 2.865 24.295 ( 0.597 0.337 1.336) 1.502 24.368 ( 0.343 0.520 -2.348) 2.430 24.408 ( -0.041 -1.207 -0.716) 1.404 24.553 ( -1.531 0.873 0.880) 1.970 24.567 ( -2.567 1.208 1.468) 3.194 24.753 ( -1.686 0.546 4.274) 4.627 24.886 ( -0.447 -3.011 10.430) 10.865 25.019 ( -1.034 1.405 -1.659) 2.407 25.200 ( 0.602 -3.413 -4.315) 5.534 25.503 ( -0.526 2.750 6.251) 6.850 25.652 ( -3.025 -1.975 11.950) 12.485 26.092 ( -2.467 9.276 -1.387) 9.698 26.641 ( -2.729 -7.369 -5.156) 9.399 27.148 ( 0.938 0.325 -0.043) 0.994 27.242 ( 3.724 -2.451 -1.331) 4.652 27.318 ( 0.506 1.664 0.791) 1.910 27.403 ( -0.708 -1.184 0.998) 1.702 27.677 ( -1.014 4.217 -0.442) 4.360 27.740 ( 3.212 -1.184 4.308) 5.503 27.891 ( 4.038 -5.286 -1.277) 6.774 28.049 ( -0.272 -5.588 -3.761) 6.741 ======================= Grid point 63 (31/64) ======================= q-point: ( 0.33 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( 3.342 11.138 0.801) 11.656 1.486 ( 3.412 14.113 11.496) 18.520 1.710 ( 0.042 6.657 0.833) 6.709 1.755 ( 0.379 6.504 -6.188) 8.986 1.814 ( 1.266 4.257 -1.400) 4.657 1.981 ( 0.083 3.618 -1.631) 3.970 2.078 ( -2.569 6.055 -7.679) 10.111 2.145 ( -0.998 1.854 1.416) 2.537 2.269 ( -3.138 6.038 -1.221) 6.913 2.311 ( -1.321 3.075 0.442) 3.375 2.386 ( -5.324 2.461 2.383) 6.331 2.426 ( 1.521 -3.505 7.423) 8.349 2.540 ( -0.186 -0.561 4.974) 5.009 2.580 ( -0.361 4.560 3.881) 5.999 2.651 ( -4.329 -0.369 -1.632) 4.641 2.733 ( -6.140 0.768 0.396) 6.201 2.816 ( -0.787 7.143 3.916) 8.184 2.867 ( 0.287 -3.989 2.500) 4.716 2.940 ( 3.800 0.872 -0.531) 3.934 3.000 ( -1.222 0.906 -0.028) 1.521 3.068 ( 0.030 -1.224 -2.164) 2.486 3.116 ( 2.814 -3.611 -2.169) 5.066 3.147 ( 3.226 -1.206 2.189) 4.081 3.178 ( 1.155 1.651 -0.838) 2.182 3.214 ( 0.972 -0.532 -0.191) 1.124 3.295 ( 3.978 -0.471 -2.333) 4.636 3.352 ( -2.770 -2.217 -4.153) 5.462 3.404 ( 2.378 -1.983 0.750) 3.186 3.433 ( -1.480 0.485 -0.390) 1.605 3.519 ( 2.308 -0.495 -1.030) 2.575 3.586 ( 7.020 1.604 3.413) 7.968 3.629 ( -3.057 -1.105 3.075) 4.475 3.703 ( 4.231 -3.160 1.454) 5.477 3.744 ( -0.561 -0.000 0.435) 0.710 3.837 ( 2.300 -4.308 0.284) 4.892 3.888 ( 1.673 3.982 -1.635) 4.618 3.935 ( 2.605 -7.839 3.354) 8.915 4.034 ( -3.544 1.227 1.221) 3.944 4.095 ( 0.521 1.201 -8.072) 8.178 4.137 ( 1.196 0.044 -0.611) 1.344 4.185 ( -0.377 -0.675 -5.460) 5.515 4.228 ( -0.780 0.620 -4.656) 4.761 4.266 ( -0.577 3.890 0.116) 3.934 4.332 ( -0.021 -1.615 -1.739) 2.373 4.360 ( -2.148 -1.955 0.504) 2.948 4.421 ( 0.406 2.049 1.161) 2.390 4.494 ( -0.375 -0.152 0.800) 0.897 4.514 ( 5.009 2.179 1.528) 5.672 4.563 ( -1.198 0.730 1.251) 1.880 4.582 ( -0.370 -0.612 0.174) 0.736 4.649 ( -0.640 0.016 2.648) 2.724 4.723 ( 0.424 0.806 -2.540) 2.698 4.836 ( -0.133 -1.520 -2.572) 2.990 4.924 ( 1.845 -3.557 0.288) 4.018 5.065 ( 0.586 0.406 -0.319) 0.781 5.112 ( 1.325 1.068 1.356) 2.176 5.211 ( 1.194 -1.304 -2.736) 3.257 5.267 ( 1.516 1.520 0.901) 2.328 5.274 ( -2.045 0.792 5.745) 6.149 5.355 ( -0.697 -0.880 0.281) 1.157 5.471 ( -0.037 0.152 5.462) 5.464 5.660 ( -2.452 -0.972 0.426) 2.672 5.864 ( -2.047 0.744 -1.252) 2.512 5.940 ( -1.797 -6.614 -4.406) 8.148 6.230 ( -0.752 1.369 1.214) 1.978 6.353 ( -2.462 -0.898 -1.591) 3.065 6.521 ( -0.348 3.454 3.778) 5.131 6.673 ( -0.002 4.093 3.966) 5.699 6.794 ( -3.705 -1.586 -1.140) 4.188 6.832 ( -0.199 -0.469 1.465) 1.551 6.980 ( -0.070 3.557 -3.251) 4.819 7.061 ( -0.961 -0.868 -1.921) 2.317 8.676 ( -1.928 1.846 0.661) 2.750 8.744 ( -3.965 2.921 -1.078) 5.041 8.903 ( 0.153 -4.654 0.728) 4.713 8.982 ( -0.316 -3.683 -1.505) 3.991 9.131 ( -1.252 -0.791 2.101) 2.571 9.156 ( -1.717 -1.202 -0.168) 2.103 9.424 ( 1.619 1.602 -0.186) 2.285 9.462 ( 0.430 1.898 -0.051) 1.946 10.092 ( -0.292 0.994 0.671) 1.234 10.105 ( 0.579 2.629 -2.061) 3.391 10.160 ( 1.047 0.001 0.472) 1.149 10.223 ( 0.345 0.459 -0.491) 0.756 10.367 ( -0.155 -1.305 0.960) 1.627 10.438 ( -2.131 -0.963 0.053) 2.339 10.510 ( -0.049 -1.579 -0.783) 1.763 10.552 ( 0.661 -0.761 -0.954) 1.388 10.782 ( 0.983 1.962 0.134) 2.199 10.854 ( -3.512 2.309 0.874) 4.293 10.894 ( -0.561 1.398 -0.354) 1.547 10.968 ( -2.601 0.797 -0.819) 2.841 11.085 ( 0.350 5.202 1.423) 5.404 11.275 ( -2.061 3.549 0.612) 4.150 11.427 ( 3.224 3.742 -1.286) 5.104 11.483 ( -0.320 4.208 -3.678) 5.598 11.736 ( 2.760 -2.987 -1.837) 4.462 11.754 ( 4.015 0.667 -1.015) 4.195 11.874 ( 0.752 -3.346 2.836) 4.450 11.905 ( 0.145 -5.668 1.270) 5.810 12.222 ( -0.219 -0.362 0.197) 0.466 12.272 ( 0.507 -2.646 2.548) 3.708 12.427 ( 0.994 3.830 -1.584) 4.262 12.522 ( 1.997 0.934 1.272) 2.545 13.464 ( -2.719 -2.034 -0.948) 3.525 13.598 ( -0.996 -4.335 0.828) 4.524 13.753 ( -0.319 0.518 -1.109) 1.265 13.818 ( -1.573 -1.558 -3.415) 4.070 14.103 ( 1.354 -3.043 7.457) 8.167 14.235 ( -0.920 -5.068 0.035) 5.151 14.615 ( 1.733 1.341 0.392) 2.226 14.673 ( 0.991 -0.928 0.176) 1.369 22.468 ( -0.321 9.889 1.848) 10.065 22.724 ( -3.618 11.843 -4.928) 13.328 22.858 ( -0.450 -3.238 1.128) 3.459 22.988 ( -0.182 -1.203 -2.274) 2.579 23.345 ( -1.557 6.235 0.227) 6.431 23.583 ( 0.393 0.030 -6.753) 6.765 23.776 ( -1.557 1.818 0.887) 2.552 23.879 ( 0.102 -2.973 -0.965) 3.127 23.937 ( -0.899 1.672 -1.112) 2.200 24.009 ( 0.173 -3.539 -1.943) 4.041 24.288 ( -0.021 0.926 3.558) 3.677 24.312 ( 2.112 1.086 1.212) 2.666 24.388 ( 1.508 1.221 -2.328) 3.031 24.415 ( 0.829 -1.432 0.020) 1.654 24.506 ( -2.820 1.443 -0.724) 3.250 24.529 ( -1.493 0.802 0.605) 1.800 24.731 ( -0.836 1.304 5.187) 5.413 24.872 ( -1.273 -2.391 9.268) 9.656 25.005 ( -0.316 2.799 -1.947) 3.424 25.227 ( 2.095 -3.661 -4.525) 6.186 25.506 ( 0.489 2.541 6.315) 6.824 25.642 ( 0.886 -1.316 9.717) 9.845 26.041 ( -2.372 9.846 -3.695) 10.780 26.574 ( -3.958 -6.857 -6.411) 10.188 27.195 ( 3.394 -0.383 1.215) 3.626 27.292 ( 1.951 -2.237 -0.650) 3.039 27.328 ( 0.329 1.087 0.257) 1.165 27.375 ( -2.053 -1.210 1.154) 2.648 27.671 ( 0.374 3.982 -0.111) 4.002 27.761 ( -0.518 -1.226 4.198) 4.404 27.972 ( 3.365 -7.449 -3.096) 8.740 28.041 ( -0.327 -5.302 -3.946) 6.617 ======================= Grid point 64 (32/64) ======================= q-point: (-0.50 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( 0.911 7.030 -1.225) 7.194 1.433 ( -8.629 14.201 4.629) 17.250 1.654 ( -4.606 5.598 -14.230) 15.970 1.733 ( -1.622 10.877 3.167) 11.444 1.896 ( -0.908 0.677 -3.064) 3.266 1.949 ( 3.587 -0.145 -3.513) 5.023 2.032 ( 0.973 2.480 -6.827) 7.328 2.163 ( 1.301 5.749 1.782) 6.158 2.190 ( -5.685 4.426 -1.329) 7.326 2.294 ( -4.646 -1.223 5.135) 7.032 2.322 ( 3.697 9.320 0.428) 10.035 2.448 ( 0.223 -2.890 0.718) 2.987 2.526 ( -0.709 0.628 5.658) 5.737 2.564 ( -0.834 7.567 -0.425) 7.625 2.617 ( -0.705 4.359 6.591) 7.933 2.698 ( 2.604 -2.828 -0.128) 3.846 2.796 ( -1.587 3.528 2.737) 4.739 2.848 ( -0.721 0.892 2.950) 3.165 2.939 ( -1.005 -0.617 0.842) 1.449 3.052 ( -4.146 -0.552 -6.904) 8.072 3.075 ( 3.830 1.482 4.012) 5.741 3.143 ( -1.009 -0.868 -3.872) 4.094 3.167 ( 3.023 -1.212 -0.795) 3.352 3.227 ( 2.720 -0.459 0.660) 2.837 3.233 ( 0.882 -1.449 -0.196) 1.708 3.325 ( 2.063 -3.180 1.222) 3.983 3.378 ( -0.622 -3.953 1.342) 4.221 3.401 ( 2.729 1.092 0.570) 2.995 3.448 ( 0.185 -4.122 0.212) 4.131 3.555 ( 2.129 -0.871 -1.461) 2.725 3.600 ( 0.407 2.313 3.033) 3.835 3.656 ( -6.157 2.313 0.613) 6.606 3.705 ( 3.261 -1.213 3.446) 4.897 3.779 ( 1.847 2.409 3.145) 4.371 3.869 ( 1.241 -3.846 3.305) 5.221 3.907 ( 1.039 -3.165 -0.736) 3.412 3.981 ( -0.173 -1.240 -0.309) 1.290 3.991 ( -0.759 -0.553 2.574) 2.740 4.111 ( 0.879 -1.393 -3.470) 3.842 4.138 ( -1.670 -2.995 -1.051) 3.586 4.193 ( 2.593 -1.044 -4.031) 4.906 4.220 ( 0.343 1.758 -4.751) 5.077 4.276 ( 1.480 1.966 0.123) 2.464 4.312 ( -1.426 -0.535 1.328) 2.021 4.351 ( 1.702 0.434 -1.807) 2.520 4.429 ( 0.216 2.881 2.698) 3.953 4.467 ( -1.313 -0.100 -3.006) 3.282 4.522 ( -2.600 2.264 0.107) 3.449 4.593 ( -0.182 -0.625 1.241) 1.401 4.615 ( 3.879 -0.049 2.488) 4.608 4.636 ( -0.158 0.572 2.797) 2.859 4.732 ( 0.583 1.659 -2.676) 3.203 4.829 ( -0.341 -2.150 -1.739) 2.786 4.932 ( -0.636 -3.217 -1.071) 3.450 5.076 ( 0.590 0.331 -1.217) 1.393 5.128 ( -0.131 1.330 1.973) 2.383 5.211 ( -1.185 1.302 1.996) 2.662 5.262 ( 0.916 -2.433 7.414) 7.857 5.289 ( 0.580 1.495 -2.209) 2.730 5.340 ( -0.894 -0.028 -0.608) 1.082 5.456 ( -1.805 -0.661 4.407) 4.808 5.603 ( -3.062 -3.264 -3.636) 5.766 5.851 ( 0.790 1.144 -1.652) 2.159 5.906 ( -1.026 -2.893 -6.530) 7.215 6.224 ( -0.123 1.267 1.286) 1.809 6.324 ( 0.052 -1.048 -1.398) 1.748 6.521 ( 0.141 3.431 3.879) 5.181 6.676 ( 0.059 3.486 3.831) 5.180 6.739 ( -1.596 0.516 -1.924) 2.553 6.844 ( 1.585 -0.761 2.412) 2.985 6.976 ( -0.289 3.265 -3.560) 4.840 7.048 ( -0.164 -1.706 -2.765) 3.253 8.648 ( -1.114 1.774 0.694) 2.207 8.708 ( 0.841 2.662 -1.059) 2.986 8.896 ( -0.546 -3.845 0.782) 3.962 9.003 ( 1.980 -4.799 -2.489) 5.758 9.106 ( -1.441 -0.880 2.183) 2.760 9.140 ( 0.061 -1.331 0.314) 1.369 9.442 ( 0.262 1.179 -0.067) 1.210 9.457 ( -0.727 2.658 -0.125) 2.759 10.085 ( -0.229 1.503 0.132) 1.526 10.117 ( 0.502 2.893 -1.403) 3.254 10.178 ( 0.910 -1.036 0.121) 1.384 10.219 ( -0.602 1.279 -0.366) 1.460 10.374 ( -0.065 -2.507 0.690) 2.602 10.399 ( -0.609 -0.750 -0.162) 0.980 10.526 ( 0.643 -1.227 0.188) 1.398 10.558 ( 0.494 0.218 -1.308) 1.415 10.803 ( 1.221 2.126 0.206) 2.460 10.806 ( -1.007 1.903 0.227) 2.165 10.905 ( 0.495 1.197 -0.271) 1.323 10.926 ( -0.877 0.906 -0.111) 1.265 11.099 ( 0.491 4.248 2.657) 5.034 11.239 ( -0.956 3.631 0.538) 3.794 11.452 ( -0.909 4.571 -1.252) 4.826 11.509 ( 3.191 1.609 -3.786) 5.206 11.768 ( 0.607 -2.169 -1.468) 2.688 11.782 ( -0.798 -0.280 -1.989) 2.162 11.879 ( -0.552 -4.119 3.680) 5.551 11.916 ( 0.838 -4.570 1.473) 4.874 12.228 ( 0.714 -0.857 0.919) 1.446 12.272 ( -0.579 -2.807 1.352) 3.169 12.457 ( 1.910 4.006 0.758) 4.502 12.550 ( 0.776 0.869 1.716) 2.074 13.397 ( -3.903 0.294 -3.296) 5.117 13.577 ( -1.304 -4.157 -0.004) 4.357 13.740 ( -0.892 0.499 -2.442) 2.647 13.781 ( -1.763 -0.994 -5.011) 5.404 14.122 ( -0.090 -2.578 7.206) 7.654 14.240 ( 1.599 -5.079 1.337) 5.490 14.638 ( 0.192 1.697 1.231) 2.105 14.676 ( -0.300 -0.311 -0.384) 0.578 22.465 ( -0.059 9.848 1.684) 9.991 22.686 ( 0.050 12.813 -4.320) 13.522 22.854 ( 0.050 -3.100 1.430) 3.414 22.985 ( -0.010 -1.313 -2.314) 2.661 23.332 ( -0.072 5.336 1.435) 5.526 23.590 ( 0.667 -0.214 -5.773) 5.815 23.763 ( 0.145 1.204 1.447) 1.888 23.868 ( -0.745 0.869 -3.189) 3.388 23.929 ( 0.046 -1.395 0.573) 1.509 24.002 ( -0.854 -4.121 -1.400) 4.436 24.280 ( -0.978 1.783 3.008) 3.631 24.333 ( -0.500 1.055 1.750) 2.104 24.413 ( 1.009 0.869 -0.771) 1.539 24.441 ( 1.652 -0.600 -0.268) 1.778 24.465 ( -0.985 1.790 -1.428) 2.493 24.515 ( 0.260 0.035 -0.660) 0.710 24.728 ( 0.284 1.127 5.763) 5.879 24.852 ( -1.246 -2.135 7.122) 7.539 25.002 ( 0.048 3.492 -2.193) 4.124 25.263 ( 1.683 -4.146 -3.455) 5.653 25.522 ( 0.745 2.655 6.852) 7.386 25.680 ( 2.313 -2.411 11.067) 11.560 26.009 ( -0.607 9.526 -4.671) 10.627 26.506 ( -2.282 -5.448 -8.991) 10.758 27.246 ( 0.663 -0.781 1.970) 2.220 27.315 ( 0.636 -0.050 -0.437) 0.773 27.330 ( 0.391 -1.956 0.263) 2.012 27.348 ( -0.352 -0.510 1.156) 1.312 27.686 ( 0.915 2.824 1.540) 3.344 27.742 ( -1.528 -1.239 2.919) 3.520 27.991 ( -1.077 -6.835 -4.400) 8.200 28.043 ( 0.756 -5.145 -3.450) 6.241 ======================= Grid point 65 (33/64) ======================= q-point: (-0.33 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( -3.075 10.447 2.437) 11.160 1.249 ( -9.209 15.772 6.000) 19.224 1.571 ( -2.311 8.274 -16.159) 18.300 1.684 ( -2.173 10.297 2.157) 10.743 1.885 ( 0.566 -1.058 0.170) 1.212 1.976 ( -1.503 -0.095 2.076) 2.565 2.068 ( -3.022 5.708 -4.251) 7.732 2.109 ( 1.550 -1.360 -1.444) 2.518 2.193 ( -2.558 0.856 4.844) 5.544 2.258 ( 5.031 4.285 0.221) 6.613 2.375 ( 0.410 10.890 0.626) 10.916 2.491 ( 4.768 -0.422 2.279) 5.301 2.522 ( 1.968 5.014 -0.197) 5.390 2.579 ( -2.093 4.683 3.060) 5.973 2.610 ( 1.805 3.580 -0.919) 4.113 2.736 ( -3.567 0.485 0.311) 3.613 2.777 ( 4.292 -1.769 1.221) 4.800 2.840 ( -1.829 2.571 1.426) 3.462 2.930 ( 1.216 -1.874 -1.840) 2.894 3.003 ( 3.574 -1.583 0.006) 3.909 3.098 ( -0.962 -0.843 -0.106) 1.284 3.157 ( -0.626 -1.177 -1.768) 2.214 3.187 ( -3.215 0.127 0.737) 3.301 3.217 ( 1.297 0.197 1.234) 1.801 3.281 ( 1.473 -1.352 3.543) 4.069 3.322 ( -1.475 -2.207 4.512) 5.235 3.391 ( 0.160 -8.061 0.189) 8.065 3.394 ( -3.025 1.579 -1.355) 3.671 3.501 ( 3.935 -0.101 2.512) 4.670 3.525 ( -3.974 2.557 0.507) 4.752 3.602 ( -0.047 0.126 -2.589) 2.592 3.627 ( 3.015 -2.564 -0.625) 4.007 3.722 ( -0.880 1.544 4.449) 4.791 3.805 ( -0.229 -1.191 4.612) 4.768 3.848 ( -1.923 -6.706 -2.570) 7.434 3.911 ( -1.418 0.518 -2.837) 3.214 3.964 ( -2.218 -1.332 1.733) 3.114 4.008 ( 2.274 1.352 0.286) 2.661 4.045 ( -5.024 -2.080 -4.376) 6.980 4.106 ( -1.964 -3.754 -2.016) 4.691 4.227 ( 0.910 -0.746 -3.562) 3.751 4.257 ( 1.864 2.104 -1.548) 3.209 4.293 ( 0.919 1.846 2.494) 3.237 4.357 ( 3.452 -0.824 -0.727) 3.623 4.369 ( 0.516 1.173 -1.393) 1.892 4.435 ( 0.379 2.794 1.981) 3.446 4.450 ( -0.171 0.423 -1.904) 1.958 4.467 ( -2.904 2.070 0.668) 3.628 4.574 ( -0.655 -1.523 -0.666) 1.787 4.643 ( -0.047 -0.971 4.775) 4.873 4.663 ( 1.631 -1.940 -0.815) 2.662 4.730 ( -0.743 1.651 -4.964) 5.284 4.832 ( 0.302 -1.064 -1.137) 1.586 4.911 ( -1.298 -0.968 -2.026) 2.593 5.080 ( -0.557 0.735 -0.405) 1.007 5.110 ( -1.333 1.606 2.114) 2.971 5.200 ( 0.100 0.482 3.196) 3.234 5.261 ( -1.779 -0.577 0.414) 1.915 5.313 ( 1.492 1.593 5.829) 6.225 5.341 ( 2.604 -1.772 3.761) 4.906 5.427 ( -0.741 -0.253 4.258) 4.329 5.546 ( -2.782 -5.063 -8.491) 10.270 5.871 ( 0.038 1.144 -1.062) 1.562 5.905 ( 1.718 0.489 -3.847) 4.242 6.229 ( 0.786 1.322 0.977) 1.822 6.351 ( 2.303 -0.809 -1.583) 2.909 6.528 ( 0.367 2.869 4.800) 5.604 6.680 ( 0.161 2.671 3.560) 4.454 6.736 ( 1.210 1.645 -1.610) 2.600 6.887 ( 2.424 -2.125 2.349) 3.989 6.967 ( -0.193 3.342 -3.667) 4.965 7.055 ( 0.917 -1.104 -2.622) 2.989 8.650 ( 1.491 1.740 -0.034) 2.292 8.762 ( 4.332 2.673 -0.523) 5.117 8.889 ( -0.184 -4.409 0.116) 4.414 9.036 ( 1.289 -5.148 -1.551) 5.529 9.086 ( -0.459 0.237 2.282) 2.339 9.160 ( 2.017 -1.532 0.241) 2.545 9.426 ( -1.658 2.254 -0.040) 2.799 9.445 ( -0.754 1.662 -0.484) 1.888 10.088 ( 0.506 1.916 -0.003) 1.982 10.116 ( -0.503 2.303 -0.585) 2.429 10.195 ( 0.176 -0.693 0.784) 1.061 10.198 ( -1.102 -0.621 -1.367) 1.863 10.366 ( 0.350 -0.957 0.961) 1.401 10.423 ( 2.106 -0.436 -0.488) 2.206 10.527 ( 0.027 -1.637 -0.440) 1.695 10.565 ( -0.142 -1.098 -0.463) 1.199 10.808 ( 0.754 2.585 0.904) 2.841 10.839 ( 2.409 2.736 0.138) 3.648 10.889 ( -0.846 1.513 -0.486) 1.801 10.950 ( 2.193 -0.348 -0.754) 2.345 11.097 ( -0.602 4.465 1.528) 4.758 11.256 ( 2.674 4.227 0.274) 5.009 11.422 ( -2.085 3.363 -1.272) 4.156 11.563 ( 2.487 1.275 -2.404) 3.686 11.730 ( -4.280 -0.319 -1.575) 4.572 11.759 ( -1.599 -0.889 -2.275) 2.919 11.857 ( -1.787 -5.790 2.957) 6.743 11.926 ( 0.012 -3.781 1.885) 4.225 12.240 ( -0.012 -1.421 0.516) 1.512 12.272 ( 1.348 -1.688 1.798) 2.811 12.481 ( 0.156 2.584 1.061) 2.798 12.552 ( -0.872 0.028 1.074) 1.384 13.327 ( -2.748 2.579 -0.759) 3.844 13.552 ( -1.011 -3.412 -0.951) 3.684 13.727 ( -0.276 0.175 -1.567) 1.600 13.757 ( -0.330 -0.713 -4.274) 4.346 14.108 ( -1.508 -0.745 5.025) 5.299 14.282 ( 2.067 -5.896 1.888) 6.527 14.619 ( -1.827 0.805 0.181) 2.004 14.668 ( -0.790 -0.337 0.200) 0.882 22.468 ( 0.215 9.933 1.828) 10.102 22.722 ( 3.736 10.712 -4.884) 12.352 22.860 ( 0.415 -2.539 1.214) 2.845 22.986 ( 0.313 -1.173 -2.464) 2.747 23.346 ( 1.896 6.990 -0.044) 7.243 23.595 ( -0.120 0.917 -6.259) 6.327 23.777 ( 0.966 -0.463 1.193) 1.603 23.865 ( 0.666 2.468 -1.847) 3.154 23.936 ( 0.717 -1.541 -0.409) 1.749 23.979 ( -1.325 -4.125 -1.571) 4.608 24.251 ( -2.057 1.554 2.538) 3.618 24.304 ( -2.124 0.983 0.961) 2.530 24.422 ( 0.032 0.506 -1.329) 1.422 24.437 ( -0.886 0.513 -0.932) 1.385 24.496 ( 2.550 1.376 -0.719) 2.985 24.542 ( 2.342 -0.421 0.687) 2.477 24.749 ( 1.720 0.243 6.570) 6.795 24.833 ( -1.144 -1.830 5.828) 6.214 25.002 ( 0.108 3.624 -2.328) 4.309 25.278 ( -0.013 -4.456 -2.329) 5.028 25.535 ( 0.091 2.860 7.165) 7.716 25.736 ( 2.874 -4.552 14.632) 15.591 26.015 ( 1.494 9.482 -4.568) 10.631 26.499 ( 2.403 -4.295 -9.817) 10.982 27.212 ( -2.972 -0.692 1.002) 3.212 27.325 ( -0.693 0.341 -0.098) 0.778 27.344 ( 1.004 -1.413 0.181) 1.743 27.358 ( 0.993 -2.801 1.895) 3.525 27.681 ( -2.577 0.178 0.504) 2.632 27.722 ( 0.109 0.625 2.335) 2.419 27.946 ( -3.190 -4.856 -3.462) 6.763 28.054 ( 0.463 -5.192 -3.399) 6.223 ======================= Grid point 66 (34/64) ======================= q-point: (-0.17 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( -1.453 15.866 10.245) 18.942 1.133 ( -3.089 18.655 12.938) 22.912 1.578 ( 3.794 7.282 -12.487) 14.945 1.681 ( 1.468 10.714 4.124) 11.574 1.885 ( -1.884 -2.235 1.134) 3.135 1.904 ( -4.947 6.492 2.949) 8.678 2.000 ( -2.081 10.293 -2.276) 10.745 2.147 ( 2.239 -0.785 2.346) 3.337 2.178 ( 0.564 -1.581 6.975) 7.174 2.376 ( 6.262 4.579 -2.273) 8.084 2.384 ( 1.511 1.296 0.056) 1.991 2.486 ( -5.384 4.335 2.612) 7.390 2.546 ( 0.410 5.208 5.033) 7.255 2.597 ( 2.693 4.052 -1.474) 5.084 2.620 ( 1.688 1.473 -0.038) 2.241 2.760 ( 3.824 1.242 -1.895) 4.444 2.802 ( 0.111 -2.957 -0.009) 2.959 2.902 ( 6.755 -0.803 -1.317) 6.929 2.963 ( -0.941 -2.401 -0.243) 2.590 3.054 ( -0.980 -0.519 -2.277) 2.533 3.092 ( 2.762 -2.020 -1.702) 3.822 3.108 ( -3.719 0.305 1.115) 3.895 3.138 ( -1.077 -2.698 0.060) 2.905 3.225 ( 0.750 -0.594 -0.535) 1.096 3.241 ( -4.139 -2.944 4.290) 6.649 3.308 ( -2.223 -0.134 2.376) 3.257 3.336 ( -1.192 -1.655 1.782) 2.709 3.422 ( 0.767 2.243 0.131) 2.374 3.439 ( -0.957 0.836 -1.857) 2.250 3.540 ( -5.422 -2.126 -1.177) 5.941 3.608 ( 2.675 2.693 0.153) 3.799 3.660 ( -1.154 -1.490 -2.819) 3.391 3.701 ( -1.120 4.564 1.474) 4.925 3.753 ( -2.947 -7.843 2.529) 8.752 3.800 ( -4.358 -2.688 1.903) 5.463 3.886 ( -0.820 -2.489 -2.090) 3.352 3.938 ( 0.291 -2.218 -5.345) 5.794 3.958 ( -2.382 -7.232 1.732) 7.809 4.052 ( 0.761 2.441 0.387) 2.586 4.075 ( 0.221 1.182 -5.920) 6.040 4.241 ( -0.045 2.205 -6.168) 6.550 4.248 ( -1.133 2.083 -3.115) 3.915 4.300 ( -0.514 1.856 1.484) 2.431 4.331 ( -2.158 -0.703 -3.152) 3.884 4.401 ( -0.915 -1.104 -1.475) 2.057 4.438 ( 1.014 3.866 0.476) 4.025 4.468 ( 1.852 -1.322 0.523) 2.335 4.486 ( 3.705 2.683 2.345) 5.141 4.575 ( 0.463 -3.012 0.874) 3.171 4.626 ( -2.329 -1.450 2.903) 3.995 4.674 ( 0.449 -4.096 0.289) 4.131 4.714 ( -0.806 2.575 -8.690) 9.099 4.824 ( -0.812 -1.422 -0.120) 1.642 4.888 ( -0.959 -0.173 -2.651) 2.825 5.059 ( -1.050 2.937 1.135) 3.319 5.093 ( -0.771 0.829 0.480) 1.230 5.193 ( -1.055 -0.217 -0.102) 1.081 5.227 ( -1.237 0.213 -0.856) 1.519 5.331 ( 0.408 -0.307 1.647) 1.724 5.404 ( 0.938 -1.034 7.599) 7.726 5.464 ( -0.184 -2.029 -0.922) 2.236 5.535 ( 7.860 -5.161 7.778) 12.203 5.848 ( -1.680 3.368 -2.599) 4.574 5.946 ( 1.734 0.512 1.472) 2.331 6.251 ( 1.156 1.636 0.899) 2.196 6.391 ( 1.756 0.138 -2.422) 2.995 6.537 ( 0.222 2.080 5.803) 6.168 6.684 ( 0.030 2.744 4.020) 4.868 6.775 ( 2.608 0.604 -1.602) 3.120 6.921 ( 0.836 -3.309 1.652) 3.792 6.970 ( 0.695 3.702 -3.200) 4.942 7.076 ( 1.271 -0.356 -1.452) 1.962 8.698 ( 3.306 1.369 -0.288) 3.590 8.817 ( -0.173 1.842 -0.376) 1.888 8.914 ( 3.761 -4.438 -0.068) 5.818 9.043 ( -0.525 -4.672 -0.488) 4.727 9.099 ( 1.679 1.782 2.104) 3.228 9.211 ( 2.983 -1.471 -0.154) 3.329 9.393 ( -1.546 2.519 -0.308) 2.972 9.419 ( -1.977 1.102 -0.466) 2.311 10.099 ( 0.233 1.109 -0.805) 1.390 10.103 ( -0.324 2.271 0.866) 2.452 10.159 ( -2.042 -0.130 -1.106) 2.326 10.199 ( -0.613 -2.045 0.423) 2.176 10.393 ( 2.065 0.033 1.463) 2.531 10.463 ( 1.944 -0.776 -0.423) 2.136 10.526 ( -0.608 -1.369 -0.711) 1.658 10.563 ( 0.410 -2.784 -0.796) 2.924 10.791 ( -2.432 1.913 2.402) 3.917 10.894 ( 2.111 1.627 -3.394) 4.315 10.903 ( 2.999 3.965 0.625) 5.010 11.001 ( 3.165 -0.033 -0.682) 3.237 11.095 ( 0.810 5.439 -0.147) 5.501 11.309 ( 0.416 2.296 -1.062) 2.564 11.387 ( 0.283 4.981 -0.047) 4.989 11.595 ( 0.937 0.965 -1.399) 1.941 11.628 ( -5.805 -0.048 -0.573) 5.834 11.706 ( -4.138 -1.130 -4.396) 6.142 11.829 ( -0.744 -5.343 2.315) 5.870 11.921 ( -0.610 -4.159 1.988) 4.650 12.238 ( 0.123 -0.203 -0.281) 0.368 12.317 ( 2.556 -2.148 2.475) 4.156 12.463 ( -1.747 1.238 0.312) 2.164 12.496 ( -5.158 -0.381 -3.146) 6.053 13.329 ( 3.407 2.333 8.643) 9.579 13.549 ( 0.911 -2.871 -0.196) 3.018 13.724 ( 0.067 0.200 -1.034) 1.055 13.768 ( 1.464 -0.719 -1.706) 2.360 14.078 ( -1.672 0.915 3.182) 3.710 14.306 ( 0.274 -6.416 0.856) 6.479 14.587 ( -1.151 0.009 -0.726) 1.361 14.642 ( -1.860 -1.181 0.056) 2.204 22.474 ( 0.229 10.070 2.160) 10.302 22.801 ( 4.171 5.026 -5.081) 8.275 22.866 ( 0.025 -1.367 0.181) 1.379 22.993 ( 0.412 -0.830 -2.582) 2.743 23.416 ( 5.490 8.923 -4.483) 11.396 23.572 ( -2.053 2.901 -8.544) 9.253 23.798 ( 1.342 -1.610 0.622) 2.186 23.881 ( 0.784 1.866 0.931) 2.228 23.945 ( -1.056 -2.920 -1.826) 3.602 23.967 ( 1.075 0.220 -2.846) 3.050 24.221 ( -0.829 0.363 2.447) 2.609 24.269 ( -1.279 0.631 0.130) 1.432 24.408 ( -1.317 0.068 -1.499) 1.997 24.425 ( -0.391 0.443 -1.967) 2.054 24.538 ( 1.889 1.149 0.978) 2.418 24.587 ( 1.875 0.103 0.792) 2.038 24.795 ( 1.693 -1.406 6.103) 6.487 24.819 ( 0.344 -1.444 6.523) 6.690 25.008 ( 0.724 2.932 -2.622) 4.000 25.260 ( -1.771 -4.451 -2.214) 5.277 25.531 ( -0.788 2.982 6.834) 7.498 25.785 ( 0.535 -7.819 16.399) 18.175 26.057 ( 2.960 8.869 -1.440) 9.460 26.589 ( 6.971 -5.164 -7.917) 11.745 27.161 ( -2.111 -0.535 0.054) 2.179 27.290 ( -4.455 -3.442 -1.288) 5.776 27.331 ( -1.549 -1.294 2.354) 3.101 27.380 ( 1.002 -0.562 0.101) 1.153 27.619 ( -2.219 2.502 -0.555) 3.390 27.727 ( -0.157 2.379 2.450) 3.418 27.884 ( -2.672 -3.173 -0.940) 4.254 28.057 ( 0.095 -5.301 -3.382) 6.289 ======================= Grid point 67 (35/64) ======================= q-point: ( 0.00 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( 0.265 17.894 6.920) 19.188 1.524 ( 4.020 16.648 13.769) 21.975 1.617 ( 0.812 -11.551 4.100) 12.284 1.735 ( 3.385 -0.178 -0.883) 3.503 1.784 ( -1.727 -1.981 1.531) 3.041 1.889 ( 4.589 -8.844 8.843) 13.322 2.234 ( 1.135 7.010 -1.984) 7.373 2.274 ( 0.525 6.051 3.185) 6.859 2.331 ( 2.359 8.999 5.333) 10.724 2.394 ( -0.213 0.231 -0.796) 0.855 2.459 ( 2.288 1.224 0.111) 2.597 2.532 ( 1.465 -3.522 -0.981) 3.938 2.570 ( -0.575 2.156 1.347) 2.607 2.597 ( -1.292 -0.866 2.157) 2.660 2.704 ( 0.040 2.174 -0.980) 2.385 2.732 ( -3.784 0.147 -5.960) 7.061 2.851 ( -0.807 -2.862 -1.233) 3.219 2.866 ( -0.682 -2.928 -0.858) 3.126 2.924 ( 1.835 3.183 0.918) 3.787 2.992 ( -1.494 -3.436 -0.608) 3.796 3.097 ( 3.305 -0.234 0.778) 3.403 3.113 ( 1.883 -1.358 1.831) 2.957 3.126 ( 0.102 5.404 0.159) 5.407 3.170 ( -0.267 0.971 -1.485) 1.795 3.285 ( -2.978 -1.244 -0.490) 3.264 3.304 ( -0.630 -2.719 2.608) 3.820 3.331 ( 0.697 3.802 0.575) 3.908 3.390 ( -1.689 4.210 -1.944) 4.935 3.424 ( -1.968 -0.074 -0.912) 2.170 3.471 ( -2.444 -3.893 -1.811) 4.941 3.503 ( -3.083 -2.542 -0.970) 4.112 3.574 ( -2.440 -6.036 -2.107) 6.843 3.653 ( -2.176 -0.633 0.711) 2.375 3.684 ( -0.753 -4.140 3.260) 5.323 3.741 ( -2.320 2.656 -0.617) 3.580 3.774 ( -2.044 -0.785 3.818) 4.401 3.884 ( 3.992 0.435 -0.621) 4.063 3.929 ( 4.604 -4.084 -2.393) 6.603 4.077 ( 0.876 3.380 -3.906) 5.239 4.154 ( 1.151 -3.145 -6.839) 7.615 4.256 ( 1.060 2.292 -5.090) 5.682 4.296 ( 1.198 1.382 -4.847) 5.181 4.335 ( -2.524 0.995 1.389) 3.047 4.356 ( -1.481 1.526 -3.792) 4.348 4.400 ( -1.112 4.356 -2.185) 4.999 4.452 ( -1.420 0.812 -1.292) 2.084 4.487 ( 0.581 -0.696 1.357) 1.632 4.515 ( -0.462 1.603 -0.349) 1.705 4.528 ( -1.955 -1.339 0.292) 2.387 4.609 ( 1.850 -5.584 -1.645) 6.108 4.637 ( 2.522 4.093 1.185) 4.952 4.719 ( 0.788 -1.385 -5.013) 5.260 4.802 ( 0.206 0.470 -0.940) 1.071 4.841 ( -1.451 -2.503 -2.207) 3.639 5.078 ( -0.975 -0.182 -2.884) 3.050 5.082 ( -1.668 0.084 -2.613) 3.101 5.195 ( -0.700 2.254 2.548) 3.473 5.246 ( -1.446 -1.971 1.058) 2.664 5.309 ( 0.722 3.402 -1.186) 3.675 5.363 ( 0.280 -2.014 -1.853) 2.751 5.448 ( 2.532 2.670 11.224) 11.811 5.574 ( 5.177 -8.756 14.667) 17.849 5.888 ( -1.214 3.071 -1.810) 3.766 5.938 ( -0.999 -1.688 0.421) 2.006 6.319 ( -0.093 3.585 1.344) 3.830 6.386 ( 0.032 -2.881 0.400) 2.909 6.615 ( 0.253 5.119 2.271) 5.606 6.697 ( 0.500 -2.341 1.461) 2.805 6.812 ( -0.024 1.026 1.043) 1.463 6.852 ( -1.072 -2.870 2.563) 3.995 7.049 ( 0.556 2.661 -2.571) 3.742 7.083 ( 0.357 -0.931 -1.922) 2.165 8.776 ( 0.665 1.362 0.033) 1.516 8.795 ( -0.354 -0.261 -0.432) 0.617 8.921 ( -0.269 -0.570 -0.090) 0.636 8.951 ( 0.228 -3.425 -0.520) 3.472 9.181 ( 0.666 2.241 1.542) 2.801 9.219 ( 0.061 -1.597 0.504) 1.676 9.403 ( -0.519 1.257 -0.040) 1.361 9.414 ( 0.490 0.283 -0.008) 0.566 10.108 ( -0.061 0.671 -0.316) 0.744 10.119 ( -0.327 -0.479 -0.695) 0.905 10.149 ( 0.209 1.792 0.541) 1.883 10.175 ( -0.103 -0.703 0.466) 0.850 10.428 ( -0.219 1.656 0.815) 1.859 10.466 ( -0.104 -1.374 0.082) 1.380 10.485 ( -0.004 -0.577 -0.517) 0.774 10.504 ( -0.420 -2.934 -0.907) 3.100 10.816 ( -0.588 3.799 0.534) 3.881 10.887 ( 0.431 -3.371 -1.035) 3.552 11.015 ( 0.219 2.352 -0.675) 2.457 11.038 ( -0.091 -0.293 -1.149) 1.189 11.272 ( 3.416 5.490 -1.706) 6.687 11.305 ( -2.213 2.706 -1.134) 3.675 11.515 ( 0.864 -2.482 -0.727) 2.727 11.530 ( -2.258 -3.623 -0.537) 4.302 11.579 ( 1.080 7.337 1.517) 7.570 11.677 ( -1.431 2.158 0.423) 2.624 11.740 ( 1.090 -3.556 0.645) 3.775 11.807 ( -1.097 -5.632 0.437) 5.754 12.262 ( -0.297 1.263 0.237) 1.319 12.288 ( -1.562 -1.465 0.747) 2.268 12.443 ( 0.076 0.554 -1.579) 1.675 12.447 ( -0.506 0.170 -1.440) 1.536 13.434 ( 1.975 2.565 5.191) 6.118 13.504 ( 1.334 -4.208 2.394) 5.022 13.749 ( 1.081 1.140 -1.129) 1.934 13.775 ( 1.416 -1.423 -0.908) 2.204 14.101 ( -0.700 3.191 1.929) 3.793 14.182 ( -0.885 -5.097 0.199) 5.177 14.578 ( 0.314 -0.064 -0.569) 0.653 14.586 ( -0.560 -0.836 -0.807) 1.289 22.667 ( -0.114 8.701 2.717) 9.117 22.791 ( 0.033 -4.255 1.767) 4.608 22.904 ( 0.299 2.309 -1.821) 2.956 22.960 ( 0.232 -3.037 -1.442) 3.370 23.576 ( -1.178 2.834 -5.574) 6.363 23.594 ( -0.102 0.995 -8.947) 9.003 23.797 ( 0.594 0.374 -0.263) 0.749 23.844 ( -0.794 -3.612 -2.064) 4.235 23.971 ( 1.687 3.752 -0.213) 4.119 24.013 ( 0.951 -0.080 -3.070) 3.214 24.224 ( 0.707 0.590 1.732) 1.962 24.249 ( 0.757 -1.734 0.671) 2.008 24.390 ( -1.247 0.757 -2.077) 2.538 24.405 ( -1.088 -0.704 -2.240) 2.588 24.585 ( 0.270 1.135 1.164) 1.648 24.602 ( -0.133 -0.463 0.462) 0.668 24.784 ( -0.358 0.763 5.928) 5.987 24.814 ( 1.020 -2.255 8.131) 8.499 25.067 ( -0.269 3.067 -3.050) 4.334 25.138 ( -1.137 -4.077 -2.887) 5.123 25.576 ( -1.264 3.194 8.424) 9.097 25.643 ( -2.259 -3.933 11.523) 12.384 26.290 ( 1.124 10.581 -3.925) 11.341 26.496 ( 0.837 -10.301 -6.227) 12.067 27.161 ( 0.949 0.099 -0.287) 0.996 27.166 ( -1.372 -0.422 -0.256) 1.458 27.345 ( 0.115 1.532 0.937) 1.800 27.375 ( 0.448 -1.536 0.799) 1.789 27.697 ( 1.530 3.716 1.847) 4.423 27.776 ( 0.988 -4.017 0.973) 4.250 27.814 ( -1.544 5.746 -1.215) 6.072 27.937 ( -0.432 -6.453 -2.532) 6.945 ======================= Grid point 68 (36/64) ======================= q-point: ( 0.17 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( -1.970 17.967 4.911) 18.730 1.590 ( -0.189 -2.917 5.608) 6.324 1.643 ( 4.189 2.168 6.627) 8.134 1.776 ( 0.836 -2.528 -0.163) 2.668 1.838 ( 7.029 4.829 4.056) 9.443 2.015 ( 5.992 -7.650 7.256) 12.128 2.204 ( -2.712 5.807 1.444) 6.570 2.257 ( -3.653 1.006 -0.895) 3.893 2.336 ( -1.862 7.490 5.267) 9.343 2.361 ( -1.447 1.956 -0.532) 2.491 2.511 ( 0.964 2.830 -0.243) 2.999 2.531 ( -2.465 1.510 0.197) 2.898 2.556 ( 1.239 3.490 -0.256) 3.712 2.612 ( 1.097 -3.317 5.163) 6.234 2.676 ( -2.447 2.537 -5.217) 6.296 2.758 ( 1.054 -3.631 -3.476) 5.135 2.806 ( 0.276 -1.842 0.518) 1.933 2.819 ( -2.263 -2.503 -2.174) 4.014 2.949 ( -1.034 0.953 0.445) 1.475 2.971 ( -0.027 -2.055 0.324) 2.080 3.113 ( -1.530 2.985 0.287) 3.366 3.144 ( 0.607 1.542 5.078) 5.342 3.166 ( 1.432 2.588 2.149) 3.656 3.186 ( 2.539 2.830 -3.038) 4.867 3.219 ( -3.417 -0.357 1.745) 3.853 3.253 ( 0.722 0.035 -1.530) 1.692 3.335 ( -2.016 -2.092 -2.612) 3.907 3.372 ( -1.188 -0.185 0.567) 1.329 3.420 ( 2.505 2.583 1.291) 3.822 3.457 ( 3.788 1.518 -5.537) 6.878 3.515 ( 2.184 -5.404 -2.393) 6.301 3.557 ( 0.647 -6.580 2.135) 6.948 3.598 ( -2.048 0.108 0.650) 2.151 3.675 ( -1.682 -5.780 0.714) 6.062 3.733 ( 2.435 1.736 1.048) 3.169 3.791 ( 2.809 -1.555 1.158) 3.413 3.951 ( 3.121 3.332 0.180) 4.569 4.011 ( 3.254 -3.466 0.034) 4.755 4.100 ( 1.042 2.325 -3.843) 4.611 4.159 ( -0.860 -2.670 -6.502) 7.081 4.245 ( -4.998 1.090 -2.938) 5.899 4.257 ( -2.093 1.436 -1.139) 2.782 4.322 ( -0.292 -0.113 -4.474) 4.485 4.334 ( 0.447 0.325 -3.378) 3.423 4.372 ( -0.334 3.144 0.077) 3.162 4.435 ( -0.070 -1.434 -1.850) 2.342 4.500 ( 0.113 1.409 0.804) 1.626 4.522 ( 1.287 1.850 0.400) 2.289 4.530 ( 1.829 2.152 0.149) 2.828 4.615 ( -0.914 -1.859 -4.003) 4.507 4.665 ( 0.754 1.773 2.130) 2.872 4.723 ( 0.104 -0.733 -4.696) 4.754 4.819 ( -0.611 -1.780 0.234) 1.897 4.822 ( 1.296 -1.606 -0.587) 2.146 5.060 ( -0.240 -0.004 -1.885) 1.900 5.076 ( 0.602 -1.574 -1.589) 2.316 5.195 ( 0.730 1.604 0.780) 1.927 5.235 ( 0.293 -2.456 2.273) 3.359 5.328 ( 1.070 3.884 -2.073) 4.531 5.364 ( -0.226 -0.496 -0.529) 0.759 5.487 ( 0.734 3.755 11.245) 11.878 5.628 ( -0.152 -8.627 11.807) 14.623 5.864 ( -1.094 1.434 -3.249) 3.716 5.907 ( -2.002 -1.698 -1.473) 3.010 6.302 ( -1.571 3.331 1.129) 3.851 6.365 ( -2.043 -2.839 0.169) 3.502 6.615 ( -0.377 5.341 2.330) 5.840 6.701 ( -0.243 -2.228 2.157) 3.111 6.805 ( -0.838 -0.172 0.243) 0.889 6.826 ( -1.407 -1.608 2.531) 3.312 7.048 ( -0.472 2.424 -2.489) 3.506 7.077 ( -0.848 -0.674 -1.873) 2.163 8.756 ( -1.692 2.353 -0.013) 2.898 8.810 ( 0.701 -2.711 -0.273) 2.814 8.875 ( -3.610 2.138 -0.412) 4.215 8.941 ( -1.770 -4.070 -0.421) 4.458 9.158 ( -2.310 1.018 1.690) 3.038 9.181 ( -3.063 -1.268 0.560) 3.362 9.425 ( 2.220 2.014 -0.009) 2.998 9.449 ( 2.314 -0.314 0.259) 2.349 10.111 ( 0.266 0.885 -0.235) 0.953 10.121 ( 0.461 0.010 -1.005) 1.105 10.161 ( 1.024 1.695 0.470) 2.035 10.189 ( 1.469 -0.964 0.198) 1.768 10.403 ( -2.173 1.695 0.549) 2.810 10.448 ( -1.800 -2.066 -0.268) 2.753 10.490 ( -0.154 -0.888 -0.590) 1.077 10.502 ( 1.206 -1.461 -0.420) 1.940 10.819 ( 0.618 3.715 0.286) 3.777 10.890 ( -0.460 -3.390 -0.097) 3.423 10.980 ( -3.170 1.597 -0.916) 3.666 10.995 ( -3.330 -0.245 -1.343) 3.599 11.252 ( -2.735 6.341 0.177) 6.908 11.318 ( 0.600 0.442 -1.345) 1.538 11.489 ( -0.507 2.869 0.204) 2.921 11.553 ( 2.588 -1.730 -1.165) 3.324 11.639 ( 1.888 3.281 -0.817) 3.873 11.689 ( 4.035 2.907 1.013) 5.076 11.769 ( 1.660 -5.168 1.716) 5.693 11.790 ( -0.465 -5.512 -0.478) 5.553 12.239 ( -1.580 0.340 0.358) 1.655 12.249 ( -1.587 -0.701 0.932) 1.969 12.460 ( 1.706 1.676 -1.902) 3.056 12.480 ( 2.673 -0.396 -0.574) 2.763 13.461 ( 0.491 1.316 3.550) 3.818 13.520 ( 0.102 -4.297 2.234) 4.844 13.766 ( 0.671 1.266 -1.177) 1.854 13.795 ( 0.613 -1.663 -1.366) 2.237 14.090 ( -0.556 2.498 2.578) 3.633 14.161 ( -1.211 -4.657 0.250) 4.818 14.595 ( 1.760 0.493 -0.490) 1.892 14.610 ( 2.441 -1.111 -0.340) 2.703 22.663 ( -0.410 8.689 2.508) 9.053 22.790 ( -0.273 -4.454 1.815) 4.818 22.899 ( -0.872 3.002 -1.851) 3.633 22.957 ( -0.407 -2.864 -1.443) 3.233 23.524 ( -3.183 4.755 -6.178) 8.420 23.580 ( -1.056 -1.166 -7.050) 7.223 23.812 ( 0.853 -0.621 -0.118) 1.061 23.830 ( -0.594 -1.466 -1.684) 2.311 23.976 ( -0.716 2.361 -0.172) 2.473 24.006 ( -1.376 -0.082 -2.631) 2.970 24.260 ( 2.711 0.597 1.766) 3.290 24.281 ( 1.939 -1.378 1.748) 2.952 24.376 ( 0.200 0.633 -2.170) 2.269 24.392 ( -0.072 -0.780 -2.103) 2.244 24.570 ( -1.746 0.774 0.265) 1.929 24.579 ( -2.059 -0.017 0.396) 2.097 24.778 ( -0.609 2.026 6.585) 6.917 24.827 ( -0.107 -2.935 8.911) 9.383 25.063 ( 0.104 3.006 -3.237) 4.419 25.130 ( 0.512 -3.693 -3.716) 5.264 25.559 ( -0.712 2.911 7.779) 8.337 25.611 ( -1.243 -2.389 9.613) 9.983 26.283 ( -1.636 10.225 -3.999) 11.100 26.476 ( -2.159 -9.496 -5.554) 11.211 27.163 ( 1.133 1.265 -0.182) 1.708 27.196 ( 2.335 -2.124 -0.515) 3.198 27.349 ( 0.188 1.538 0.808) 1.747 27.377 ( -0.401 -1.426 0.792) 1.680 27.731 ( 1.412 1.639 2.751) 3.500 27.762 ( -1.337 0.411 0.988) 1.712 27.833 ( 2.503 1.685 -1.732) 3.479 27.932 ( 0.099 -6.257 -2.955) 6.921 ======================= Grid point 69 (37/64) ======================= q-point: ( 0.33 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( -1.294 16.038 2.019) 16.216 1.568 ( -1.532 -12.856 1.096) 12.994 1.734 ( 3.814 7.836 4.069) 9.618 1.806 ( 2.265 1.019 -4.146) 4.833 1.931 ( -0.315 4.406 -2.021) 4.858 2.019 ( -4.117 -2.124 -6.368) 7.875 2.185 ( 0.091 2.500 1.009) 2.698 2.225 ( 0.581 1.967 6.212) 6.542 2.329 ( -0.538 1.610 4.990) 5.271 2.336 ( 0.702 1.215 6.738) 6.882 2.414 ( -7.501 2.201 -3.857) 8.716 2.443 ( -4.751 2.031 -4.471) 6.833 2.561 ( -2.309 2.940 0.449) 3.765 2.597 ( -2.472 -1.028 -0.306) 2.695 2.694 ( 2.705 3.099 5.387) 6.778 2.746 ( -1.463 -4.367 1.259) 4.774 2.760 ( -1.233 2.873 0.369) 3.148 2.873 ( 4.084 -6.581 -2.724) 8.211 2.969 ( 3.764 2.594 2.648) 5.283 2.997 ( 1.603 -1.255 -1.692) 2.647 3.094 ( 1.271 4.163 -2.252) 4.900 3.140 ( -1.831 4.253 4.014) 6.128 3.158 ( -0.373 1.995 0.381) 2.065 3.199 ( 1.073 -0.940 2.565) 2.934 3.222 ( -2.343 -5.080 -2.204) 6.013 3.247 ( -1.313 2.264 -0.323) 2.637 3.305 ( 1.026 0.172 -1.250) 1.626 3.366 ( 0.016 -1.173 0.266) 1.203 3.462 ( -0.521 3.383 2.035) 3.982 3.533 ( 3.296 -0.869 -1.366) 3.672 3.585 ( 2.703 -4.565 4.401) 6.893 3.616 ( 7.261 -2.911 1.766) 8.020 3.630 ( 3.926 -0.971 0.149) 4.048 3.658 ( 2.058 -2.322 0.335) 3.121 3.815 ( 5.589 -0.043 2.609) 6.168 3.847 ( 3.020 -1.081 2.139) 3.856 3.984 ( -0.658 3.514 0.962) 3.703 4.002 ( -3.977 -1.487 0.455) 4.270 4.095 ( -4.794 1.467 -3.992) 6.409 4.120 ( 0.694 0.317 -3.347) 3.433 4.168 ( -2.335 -3.600 -3.128) 5.310 4.208 ( -2.035 -6.527 -1.745) 7.055 4.309 ( 0.366 5.841 -6.208) 8.532 4.341 ( 0.853 2.815 -3.185) 4.335 4.391 ( 0.268 0.313 -1.967) 2.010 4.428 ( -0.356 -1.715 -1.583) 2.361 4.510 ( 0.128 2.064 1.881) 2.796 4.547 ( 1.204 -0.915 0.007) 1.512 4.580 ( 3.065 2.956 1.183) 4.420 4.598 ( -0.143 1.422 0.186) 1.441 4.674 ( 0.155 2.451 1.977) 3.153 4.731 ( 0.983 -1.340 -4.366) 4.672 4.808 ( -0.317 -0.320 -0.074) 0.456 4.848 ( 1.161 -3.560 -0.928) 3.858 5.064 ( 0.572 0.157 -1.852) 1.945 5.093 ( 1.216 -2.468 -1.549) 3.158 5.213 ( 0.695 1.344 0.691) 1.664 5.246 ( 0.194 -1.897 3.903) 4.344 5.339 ( 0.080 3.415 -1.967) 3.942 5.361 ( 0.091 0.844 -0.746) 1.130 5.485 ( -1.392 2.530 8.994) 9.446 5.593 ( -3.506 -6.425 5.986) 9.456 5.846 ( -0.431 -0.213 -3.590) 3.622 5.870 ( -1.432 -1.664 -3.617) 4.231 6.273 ( -1.285 2.624 0.858) 3.045 6.321 ( -2.189 -2.233 -0.098) 3.129 6.606 ( -0.625 4.892 2.564) 5.559 6.689 ( -1.057 -2.933 2.172) 3.800 6.784 ( -0.885 1.373 1.047) 1.941 6.814 ( -0.119 -1.307 1.827) 2.249 7.034 ( -0.725 1.884 -2.844) 3.487 7.054 ( -1.352 -0.371 -2.290) 2.685 8.721 ( -1.922 2.799 0.594) 3.447 8.774 ( -3.759 -1.452 -0.052) 4.030 8.846 ( 0.510 0.730 -0.897) 1.264 8.904 ( -1.176 -3.992 -1.610) 4.462 9.121 ( -1.619 0.036 1.769) 2.399 9.133 ( -1.857 -1.083 0.893) 2.328 9.461 ( 1.345 1.869 0.327) 2.326 9.482 ( 0.992 -0.037 0.456) 1.093 10.115 ( 0.091 1.242 -0.192) 1.260 10.131 ( 0.687 -0.126 -1.187) 1.377 10.182 ( 0.855 2.083 -0.071) 2.253 10.217 ( 1.165 -1.177 -0.547) 1.744 10.364 ( -1.501 1.101 0.712) 1.993 10.402 ( -2.489 -2.390 -0.294) 3.463 10.505 ( 1.413 0.814 0.048) 1.631 10.529 ( 1.452 -1.423 -0.363) 2.065 10.825 ( -0.227 2.191 0.245) 2.216 10.860 ( -2.361 -1.279 0.294) 2.702 10.925 ( -1.455 1.756 -1.196) 2.575 10.955 ( -1.264 -1.312 -1.026) 2.091 11.212 ( -1.318 6.241 1.079) 6.470 11.294 ( -2.052 -1.780 0.405) 2.747 11.517 ( 2.648 5.389 -0.948) 6.079 11.581 ( -0.037 3.695 -0.859) 3.794 11.663 ( 1.644 -2.078 -1.323) 2.962 11.761 ( -1.210 -5.029 -1.412) 5.362 11.784 ( 4.288 -1.154 2.081) 4.904 11.818 ( 2.015 -2.401 1.433) 3.447 12.220 ( -0.478 0.196 0.557) 0.759 12.234 ( -0.330 -1.328 1.523) 2.047 12.494 ( 1.846 2.710 -1.097) 3.458 12.526 ( 2.081 -0.640 0.087) 2.179 13.455 ( -1.186 1.392 0.951) 2.062 13.512 ( -0.912 -4.131 1.146) 4.382 13.769 ( -0.409 0.997 -2.711) 2.917 13.791 ( -0.978 -1.275 -3.646) 3.984 14.089 ( 0.446 1.332 4.020) 4.258 14.144 ( -0.422 -4.050 1.521) 4.347 14.636 ( 2.137 0.921 0.092) 2.329 14.654 ( 1.762 -0.970 0.058) 2.012 22.656 ( -0.349 8.731 2.240) 9.020 22.785 ( -0.240 -4.624 1.721) 4.940 22.873 ( -1.470 4.607 -2.039) 5.248 22.946 ( -0.592 -3.166 -1.609) 3.601 23.469 ( -2.044 5.935 -4.259) 7.586 23.557 ( -0.780 -2.946 -5.919) 6.657 23.814 ( -0.418 1.436 -0.027) 1.495 23.836 ( 1.097 -1.317 -1.388) 2.205 23.957 ( -1.352 0.366 -0.281) 1.428 23.969 ( -1.994 -0.678 -1.283) 2.466 24.305 ( 1.283 0.798 2.962) 3.325 24.317 ( 1.943 -0.371 1.939) 2.770 24.396 ( 1.747 0.008 -1.646) 2.400 24.401 ( 1.021 -0.302 -1.589) 1.913 24.528 ( -2.362 0.854 -0.839) 2.648 24.537 ( -2.050 -0.039 -0.266) 2.067 24.768 ( -0.739 2.458 6.739) 7.211 24.821 ( -0.907 -2.840 8.274) 8.794 25.069 ( 0.654 3.814 -3.198) 5.020 25.149 ( 1.469 -4.224 -3.812) 5.877 25.560 ( 0.394 2.835 7.568) 8.091 25.609 ( 0.480 -2.148 8.671) 8.946 26.238 ( -2.457 10.139 -4.997) 11.567 26.422 ( -2.936 -8.779 -6.116) 11.095 27.202 ( 2.725 1.251 0.410) 3.027 27.242 ( 2.429 -2.635 -0.215) 3.590 27.346 ( -0.763 0.740 0.253) 1.093 27.358 ( -1.459 -0.623 0.622) 1.704 27.739 ( -0.371 2.099 0.911) 2.318 27.749 ( -0.491 0.042 2.744) 2.788 27.880 ( 2.229 -0.866 -2.104) 3.185 27.937 ( 0.497 -5.102 -2.903) 5.891 ======================= Grid point 70 (38/64) ======================= q-point: (-0.50 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( 0.084 14.197 0.536) 14.207 1.551 ( -0.054 -14.509 -0.439) 14.515 1.707 ( -6.837 13.301 1.373) 15.018 1.818 ( -3.917 6.194 -13.396) 15.270 1.889 ( -0.435 -2.289 -6.449) 6.857 1.929 ( -2.730 -6.629 -5.404) 8.978 2.188 ( -3.268 1.078 1.040) 3.595 2.196 ( -2.493 4.583 1.353) 5.390 2.278 ( -2.410 2.185 2.999) 4.425 2.310 ( -0.380 3.989 3.145) 5.094 2.397 ( 3.164 1.700 5.023) 6.175 2.468 ( 4.918 -4.266 3.052) 7.190 2.531 ( 2.151 6.878 -0.303) 7.213 2.616 ( 4.425 -2.912 -0.489) 5.320 2.668 ( -4.320 1.975 2.425) 5.333 2.693 ( -2.262 0.332 -0.355) 2.314 2.811 ( 2.885 4.905 5.005) 7.578 2.949 ( 1.985 -4.484 -1.361) 5.089 2.990 ( -0.030 6.092 0.277) 6.098 3.020 ( -5.594 2.138 -3.053) 6.722 3.070 ( 0.763 -2.267 0.366) 2.419 3.088 ( -4.106 -3.885 -5.337) 7.774 3.174 ( 2.527 1.539 0.532) 3.006 3.215 ( 3.356 0.897 3.755) 5.116 3.224 ( 0.465 -2.183 1.508) 2.694 3.270 ( 2.378 -2.550 2.930) 4.554 3.340 ( 1.144 1.403 -0.182) 1.820 3.364 ( 0.878 -0.406 1.823) 2.064 3.451 ( 1.218 3.664 4.083) 5.619 3.538 ( -0.217 -3.669 3.609) 5.151 3.611 ( -4.079 -2.791 -0.876) 5.020 3.625 ( -2.796 -5.084 -1.422) 5.974 3.712 ( 5.083 5.317 2.512) 7.773 3.812 ( 6.107 -3.163 4.275) 8.098 3.850 ( -2.296 3.738 3.848) 5.835 3.896 ( -0.454 3.160 5.989) 6.787 3.944 ( -1.895 -2.519 -2.710) 4.157 3.976 ( 2.864 -2.952 3.968) 5.715 4.029 ( -0.231 -0.054 -1.646) 1.663 4.118 ( -3.267 -3.813 -8.314) 9.712 4.135 ( 2.076 -0.082 -2.932) 3.593 4.193 ( 0.624 -4.678 -2.516) 5.348 4.338 ( 2.497 5.243 -2.239) 6.223 4.352 ( 0.234 3.305 -3.205) 4.610 4.390 ( 0.222 -0.101 -2.299) 2.311 4.428 ( 0.505 -2.146 -2.374) 3.240 4.498 ( -0.812 2.811 -0.094) 2.928 4.550 ( -0.895 -2.168 -0.996) 2.548 4.595 ( -0.844 3.339 2.326) 4.156 4.629 ( 1.128 0.105 1.400) 1.801 4.671 ( -0.786 3.396 2.166) 4.104 4.738 ( -0.481 -2.236 -2.317) 3.256 4.817 ( 1.597 1.594 -0.940) 2.444 4.868 ( 1.221 -3.178 -1.457) 3.704 5.079 ( 1.140 0.565 -2.911) 3.177 5.118 ( 1.272 -2.867 -1.996) 3.718 5.213 ( -0.649 0.893 2.239) 2.496 5.238 ( -1.028 -1.130 7.252) 7.411 5.334 ( -0.444 3.159 -2.022) 3.777 5.361 ( -0.216 1.079 -1.747) 2.064 5.445 ( -2.933 0.668 6.054) 6.760 5.520 ( -4.034 -5.319 0.279) 6.681 5.852 ( 1.317 -0.208 -2.695) 3.007 5.864 ( 1.134 -1.292 -3.584) 3.975 6.261 ( -0.074 2.108 0.761) 2.242 6.298 ( 0.020 -1.664 -0.189) 1.675 6.598 ( -0.291 4.225 2.702) 5.024 6.671 ( -0.734 -2.897 1.537) 3.361 6.780 ( 0.248 2.652 1.704) 3.162 6.821 ( 0.797 -1.622 2.166) 2.821 7.022 ( -0.397 1.390 -3.267) 3.573 7.034 ( -0.246 -0.199 -2.788) 2.805 8.691 ( -0.967 2.554 0.683) 2.815 8.732 ( -0.115 -0.836 -0.172) 0.861 8.853 ( 0.307 0.453 -0.933) 1.082 8.908 ( 1.242 -4.396 -2.247) 5.091 9.099 ( -0.723 0.218 1.836) 1.985 9.114 ( -0.222 -1.220 1.167) 1.703 9.474 ( -0.010 1.580 0.495) 1.655 9.488 ( -0.333 0.375 0.421) 0.654 10.117 ( 0.316 1.784 -0.232) 1.827 10.147 ( 1.020 -0.859 -0.836) 1.574 10.182 ( -0.909 2.161 -0.768) 2.467 10.221 ( -0.861 -1.298 -1.241) 1.992 10.354 ( 0.271 0.564 0.963) 1.149 10.378 ( 0.431 -1.417 0.166) 1.491 10.523 ( 0.041 0.833 0.421) 0.934 10.547 ( 0.329 -1.230 -0.386) 1.331 10.829 ( 1.169 0.693 0.093) 1.362 10.831 ( -0.063 0.499 -0.025) 0.504 10.919 ( 0.143 0.699 -0.908) 1.155 10.931 ( -1.121 -0.348 -0.517) 1.283 11.202 ( -0.067 5.254 1.627) 5.500 11.270 ( -0.244 -1.106 0.345) 1.184 11.556 ( -0.809 5.089 -1.049) 5.258 11.569 ( 1.220 4.981 -0.736) 5.181 11.694 ( 1.417 -4.585 -0.565) 4.832 11.728 ( -2.031 -5.661 -1.806) 6.279 11.833 ( -0.056 -0.271 1.751) 1.772 11.848 ( 1.381 -1.848 1.568) 2.789 12.219 ( 0.289 0.055 0.936) 0.981 12.232 ( 0.071 -1.353 1.300) 1.878 12.523 ( 1.036 2.590 0.005) 2.790 12.553 ( 0.670 -0.590 0.584) 1.067 13.423 ( -1.936 2.577 -0.565) 3.272 13.493 ( -1.103 -4.268 0.279) 4.418 13.750 ( -1.149 0.577 -4.023) 4.224 13.763 ( -1.426 -0.792 -4.894) 5.159 14.106 ( 0.762 0.853 4.598) 4.738 14.152 ( 1.100 -3.738 2.532) 4.647 14.659 ( -0.014 0.678 0.432) 0.804 14.669 ( -0.044 -0.412 0.011) 0.414 22.654 ( -0.024 8.779 2.162) 9.041 22.782 ( -0.213 -4.394 1.434) 4.627 22.856 ( 0.009 5.144 -1.908) 5.486 22.937 ( -0.137 -3.544 -1.784) 3.970 23.452 ( 0.547 6.434 -3.253) 7.230 23.555 ( 0.947 -3.732 -5.190) 6.462 23.808 ( -0.225 2.991 0.267) 3.011 23.858 ( 1.273 -1.769 -2.033) 2.980 23.923 ( -1.815 0.351 0.047) 1.849 23.942 ( -1.117 -1.922 -0.786) 2.357 24.313 ( -0.622 1.553 2.547) 3.047 24.336 ( -0.481 -0.646 2.067) 2.218 24.423 ( 1.203 0.402 -0.547) 1.381 24.432 ( 1.751 -0.440 -0.456) 1.862 24.495 ( -0.609 1.207 -1.522) 2.036 24.511 ( -0.367 -0.501 -1.132) 1.291 24.760 ( -0.326 2.143 6.442) 6.797 24.806 ( -0.899 -2.499 6.998) 7.484 25.080 ( 0.537 4.519 -2.893) 5.392 25.173 ( 1.120 -4.913 -3.145) 5.940 25.577 ( 0.834 2.902 8.157) 8.698 25.631 ( 1.190 -2.643 9.494) 9.927 26.202 ( -0.742 9.873 -6.016) 11.586 26.376 ( -1.152 -7.933 -7.511) 10.985 27.247 ( 0.970 0.986 1.452) 2.005 27.282 ( 1.507 -2.445 0.840) 2.993 27.320 ( -0.811 0.472 -0.711) 1.178 27.334 ( -1.159 -0.857 -0.033) 1.442 27.730 ( -1.130 1.005 1.234) 1.952 27.737 ( -0.399 0.609 1.544) 1.707 27.904 ( 0.324 -1.128 -2.137) 2.439 27.947 ( 0.655 -4.392 -2.387) 5.041 ======================= Grid point 71 (39/64) ======================= q-point: (-0.33 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( 0.766 14.903 1.976) 15.053 1.546 ( -3.885 1.565 0.034) 4.189 1.580 ( -1.795 -0.776 2.561) 3.222 1.713 ( -4.195 3.580 -12.433) 13.601 1.862 ( -1.240 -0.964 -4.372) 4.646 1.899 ( -2.420 -8.236 1.906) 8.793 2.128 ( -0.437 3.283 1.979) 3.859 2.208 ( 3.309 1.157 1.448) 3.793 2.275 ( 1.221 3.391 3.494) 5.020 2.297 ( -0.960 4.155 1.181) 4.425 2.480 ( 1.086 1.548 1.784) 2.600 2.514 ( -1.842 -3.109 -0.195) 3.619 2.593 ( 4.341 7.580 0.204) 8.737 2.636 ( 2.667 4.979 0.345) 5.659 2.704 ( 3.395 -1.006 -2.011) 4.072 2.715 ( 3.635 -2.995 0.442) 4.730 2.819 ( -1.438 4.752 1.877) 5.308 2.879 ( -5.489 -0.904 -5.402) 7.754 2.937 ( -0.435 2.187 0.871) 2.394 2.988 ( -0.165 4.611 0.391) 4.630 3.046 ( -0.278 -4.840 -0.069) 4.849 3.086 ( -1.549 -4.946 0.241) 5.188 3.203 ( -0.827 0.450 1.764) 1.999 3.215 ( -1.634 -0.463 0.184) 1.709 3.268 ( 1.358 -0.379 1.768) 2.261 3.295 ( 0.587 0.718 2.206) 2.393 3.349 ( 0.825 3.740 3.974) 5.519 3.407 ( 2.673 -0.775 3.491) 4.465 3.495 ( -4.851 -3.407 -0.775) 5.978 3.513 ( -0.346 -2.200 2.896) 3.653 3.542 ( 3.244 -1.204 1.042) 3.614 3.610 ( 2.144 -4.630 0.155) 5.104 3.732 ( -3.729 2.961 5.768) 7.479 3.783 ( -2.799 1.366 2.874) 4.238 3.803 ( -3.036 -1.774 0.716) 3.588 3.886 ( -3.132 -4.388 0.641) 5.428 3.925 ( -1.564 1.779 -1.043) 2.588 3.969 ( -4.818 -1.722 -2.638) 5.757 4.074 ( 3.483 0.637 -3.987) 5.332 4.091 ( 1.474 1.319 -1.620) 2.556 4.189 ( 3.239 -0.490 -3.425) 4.739 4.237 ( 3.235 -3.704 -3.577) 6.081 4.348 ( -0.187 2.785 0.495) 2.835 4.377 ( -0.486 0.380 1.033) 1.203 4.402 ( 3.000 2.751 -2.273) 4.662 4.439 ( 0.568 -0.548 -1.789) 1.955 4.489 ( -0.271 1.552 -2.544) 2.992 4.524 ( -1.095 -0.860 -3.370) 3.647 4.566 ( -1.668 2.984 1.307) 3.660 4.627 ( -1.346 -1.625 -0.283) 2.128 4.639 ( -2.277 2.515 2.595) 4.271 4.718 ( -1.178 -3.343 -1.815) 3.982 4.845 ( 0.351 1.994 -2.257) 3.032 4.885 ( 0.242 -1.729 -1.986) 2.644 5.101 ( 1.050 1.260 -3.751) 4.094 5.126 ( -0.299 -0.661 -0.848) 1.116 5.200 ( -0.425 1.059 4.079) 4.236 5.251 ( 2.267 -2.482 8.356) 9.007 5.322 ( -0.270 2.837 -0.937) 3.000 5.349 ( -0.730 1.080 -0.819) 1.539 5.403 ( -1.155 -1.480 4.978) 5.320 5.446 ( -3.718 -5.018 -1.717) 6.477 5.885 ( 1.808 0.743 -1.455) 2.437 5.901 ( 2.478 -0.742 -1.481) 2.980 6.272 ( 1.292 2.707 0.824) 3.111 6.321 ( 2.160 -2.207 -0.024) 3.088 6.598 ( 0.172 4.068 2.688) 4.879 6.669 ( 0.421 -2.761 0.972) 2.957 6.791 ( 0.720 3.008 2.117) 3.748 6.842 ( 1.084 -2.415 2.508) 3.647 7.020 ( 0.462 1.945 -3.410) 3.953 7.043 ( 1.135 -0.577 -2.829) 3.102 8.697 ( 1.608 3.109 -0.070) 3.500 8.764 ( 2.982 -3.192 -0.080) 4.369 8.859 ( 0.380 2.345 -0.896) 2.539 8.933 ( 1.283 -4.827 -1.151) 5.126 9.101 ( 0.987 1.118 1.565) 2.162 9.128 ( 1.742 -1.635 0.965) 2.577 9.463 ( -1.197 1.379 0.425) 1.875 9.472 ( -1.334 0.567 0.126) 1.455 10.124 ( 0.138 1.806 -0.354) 1.846 10.156 ( -1.188 -0.039 0.290) 1.223 10.163 ( 0.036 0.363 -1.326) 1.376 10.194 ( -1.252 -1.104 -0.578) 1.766 10.374 ( 1.720 1.548 0.754) 2.433 10.408 ( 2.272 -1.425 -0.136) 2.685 10.510 ( -1.012 0.417 0.031) 1.095 10.537 ( -1.240 -1.798 -0.107) 2.186 10.848 ( 0.561 1.496 1.214) 2.007 10.866 ( 2.295 -0.174 0.403) 2.337 10.913 ( 0.516 1.597 -1.874) 2.516 10.940 ( 2.114 -0.930 -1.379) 2.689 11.205 ( 0.364 5.771 1.016) 5.871 11.285 ( 1.579 -1.682 0.118) 2.310 11.522 ( -1.808 6.532 -0.640) 6.808 11.593 ( 0.445 1.434 -0.591) 1.614 11.684 ( -2.561 -3.628 -2.058) 4.894 11.711 ( 0.344 -5.131 0.235) 5.147 11.801 ( -3.075 1.606 1.335) 3.717 11.854 ( -0.783 -3.397 1.564) 3.821 12.229 ( 0.697 0.205 0.981) 1.221 12.244 ( 1.258 -1.208 1.458) 2.273 12.523 ( -1.175 1.724 0.024) 2.087 12.546 ( -1.610 -0.678 -0.021) 1.747 13.392 ( -1.016 4.039 0.467) 4.191 13.476 ( -0.494 -4.341 0.130) 4.371 13.732 ( -0.395 0.378 -3.343) 3.387 13.743 ( -0.282 -0.675 -4.206) 4.269 14.116 ( 0.097 1.768 3.524) 3.944 14.177 ( 1.170 -4.489 2.244) 5.153 14.636 ( -2.104 0.929 0.011) 2.300 14.654 ( -1.580 -0.922 0.123) 1.834 22.657 ( 0.273 8.781 2.356) 9.095 22.781 ( 0.116 -3.731 1.317) 3.958 22.869 ( 1.268 3.606 -1.804) 4.227 22.940 ( 0.492 -3.513 -1.877) 4.013 23.486 ( 3.144 6.626 -4.313) 8.509 23.582 ( 1.838 -2.901 -5.485) 6.472 23.802 ( -0.471 3.168 -0.284) 3.215 23.877 ( 0.230 -3.951 -2.411) 4.634 23.903 ( 0.232 1.474 0.358) 1.534 23.931 ( 0.526 -1.460 -0.549) 1.646 24.283 ( -2.475 1.533 2.020) 3.544 24.305 ( -2.396 -0.678 1.243) 2.783 24.433 ( -0.234 0.678 -1.079) 1.295 24.443 ( -0.399 -0.094 -1.147) 1.218 24.517 ( 2.351 0.828 -0.493) 2.541 24.531 ( 2.370 -0.653 0.164) 2.464 24.764 ( 0.443 1.288 6.365) 6.509 24.796 ( -0.532 -1.883 6.124) 6.429 25.083 ( -0.105 4.714 -2.546) 5.359 25.182 ( -0.157 -5.278 -2.413) 5.805 25.593 ( 0.243 3.121 8.839) 9.377 25.657 ( 0.863 -3.611 11.299) 11.894 26.209 ( 1.794 9.978 -6.273) 11.921 26.383 ( 2.388 -7.652 -7.971) 11.304 27.219 ( -2.868 1.534 0.656) 3.318 27.272 ( -2.466 -3.797 0.603) 4.568 27.331 ( 0.793 0.298 -0.102) 0.853 27.339 ( 1.630 -0.534 0.228) 1.731 27.703 ( -1.492 2.054 0.491) 2.585 27.737 ( 0.321 -0.502 1.240) 1.376 27.893 ( -1.265 0.401 -1.379) 1.914 27.954 ( 0.076 -4.785 -2.152) 5.248 ======================= Grid point 72 (40/64) ======================= q-point: (-0.17 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( 1.564 16.669 5.766) 17.707 1.484 ( -0.794 16.195 8.297) 18.214 1.590 ( 1.032 -11.528 3.172) 12.000 1.686 ( 1.661 0.686 -6.482) 6.727 1.833 ( -2.608 -2.954 0.206) 3.945 1.858 ( -0.988 -7.687 6.808) 10.316 2.175 ( 4.349 6.799 -0.733) 8.104 2.271 ( -0.256 4.162 2.170) 4.701 2.282 ( 1.671 9.255 4.512) 10.431 2.338 ( 5.394 -3.402 0.100) 6.378 2.438 ( -1.106 1.094 -1.002) 1.850 2.505 ( 0.320 -3.879 -0.574) 3.934 2.607 ( -3.651 4.499 0.242) 5.799 2.639 ( -2.355 1.932 -1.100) 3.239 2.727 ( 1.323 4.382 -1.249) 4.745 2.783 ( 2.253 -0.601 -1.885) 2.999 2.817 ( 0.437 1.787 -0.077) 1.841 2.869 ( -0.877 -3.764 -2.854) 4.805 2.922 ( 0.438 4.309 2.325) 4.915 3.024 ( -0.603 -2.602 -1.030) 2.863 3.039 ( 1.142 -1.682 0.988) 2.260 3.061 ( 3.034 -3.534 -0.296) 4.667 3.149 ( -2.809 2.308 -0.107) 3.637 3.184 ( -1.632 -1.440 2.216) 3.106 3.267 ( 0.666 3.940 -1.288) 4.199 3.303 ( 0.080 2.025 1.647) 2.612 3.357 ( -1.497 -0.188 4.738) 4.972 3.436 ( -1.656 -5.214 -1.945) 5.806 3.459 ( 0.117 0.047 1.412) 1.417 3.482 ( -0.239 -2.672 1.431) 3.040 3.600 ( -4.294 -0.707 1.073) 4.482 3.633 ( -0.799 -1.093 0.232) 1.374 3.651 ( 0.174 0.791 2.366) 2.500 3.716 ( -3.593 -5.865 2.741) 7.404 3.792 ( 0.751 3.097 4.353) 5.395 3.834 ( -3.438 -1.403 -1.191) 3.899 3.863 ( -5.835 -0.999 0.322) 5.929 3.872 ( 0.755 -3.899 -6.111) 7.288 4.085 ( -0.881 3.092 -3.906) 5.059 4.133 ( 1.726 -0.367 -5.180) 5.472 4.241 ( 1.549 0.989 -7.598) 7.817 4.268 ( 1.362 -0.299 -3.330) 3.610 4.349 ( 0.034 1.883 2.290) 2.965 4.374 ( 0.114 -0.961 -3.645) 3.771 4.432 ( -1.772 6.138 -1.053) 6.474 4.443 ( 1.112 1.770 0.508) 2.151 4.489 ( 0.543 -1.723 -2.522) 3.103 4.528 ( 0.727 1.542 -0.700) 1.843 4.569 ( 1.558 -2.525 2.294) 3.750 4.582 ( -1.707 -0.482 -1.304) 2.201 4.599 ( -1.918 1.270 1.924) 2.999 4.706 ( 0.288 -4.589 -3.558) 5.814 4.823 ( -1.814 2.259 -3.360) 4.436 4.871 ( -1.389 -1.887 -2.792) 3.644 5.101 ( -0.876 0.834 -2.908) 3.149 5.114 ( -1.090 0.636 -3.120) 3.366 5.204 ( -0.020 2.829 4.449) 5.272 5.266 ( -0.565 1.402 0.407) 1.565 5.318 ( -1.235 -0.351 0.028) 1.284 5.364 ( 0.173 -3.200 -1.830) 3.690 5.400 ( 0.948 -0.932 7.003) 7.129 5.446 ( 5.879 -4.726 12.299) 14.427 5.902 ( -0.031 2.368 -0.998) 2.570 5.938 ( 1.068 -1.168 0.425) 1.639 6.303 ( 1.570 3.328 1.191) 3.868 6.364 ( 2.010 -2.646 0.207) 3.330 6.606 ( 0.476 4.491 2.518) 5.170 6.683 ( 0.874 -2.737 0.864) 3.000 6.805 ( 0.610 2.429 1.905) 3.146 6.858 ( 0.308 -3.007 2.577) 3.972 7.034 ( 1.024 2.570 -3.121) 4.171 7.067 ( 1.332 -0.926 -2.318) 2.829 8.739 ( 2.474 2.871 -0.314) 3.803 8.806 ( 0.399 -3.610 -0.275) 3.642 8.883 ( 2.682 2.254 -0.366) 3.523 8.950 ( 0.443 -4.333 -0.438) 4.378 9.138 ( 2.765 2.114 1.348) 3.732 9.178 ( 3.213 -1.924 0.641) 3.800 9.431 ( -1.977 1.295 0.211) 2.373 9.439 ( -2.075 0.495 -0.082) 2.135 10.116 ( -0.678 0.845 -0.633) 1.255 10.134 ( -1.108 -0.702 -0.117) 1.316 10.153 ( -0.576 1.684 -0.243) 1.796 10.183 ( -0.468 -0.880 0.549) 1.138 10.411 ( 1.761 1.832 0.697) 2.635 10.449 ( 1.712 -1.265 -0.247) 2.143 10.496 ( -0.494 -0.872 -0.413) 1.084 10.512 ( -1.002 -2.066 -0.267) 2.312 10.838 ( -1.344 2.557 1.158) 3.112 10.882 ( 0.154 -1.872 -0.839) 2.057 10.969 ( 4.022 2.457 -1.326) 4.897 10.998 ( 3.519 -0.606 -1.088) 3.733 11.222 ( 1.632 6.671 -0.325) 6.876 11.315 ( 1.083 -2.144 -1.185) 2.678 11.500 ( -0.185 5.553 -0.016) 5.556 11.576 ( -2.171 -1.752 -0.476) 2.831 11.625 ( -3.661 0.316 -0.604) 3.724 11.710 ( -0.804 -6.222 2.068) 6.606 11.740 ( -2.264 3.997 -0.863) 4.674 11.831 ( -1.454 -4.896 1.235) 5.255 12.248 ( 1.234 1.158 0.546) 1.778 12.278 ( 1.921 -1.809 1.619) 3.096 12.482 ( -2.874 0.758 -0.637) 3.040 12.492 ( -3.636 -0.286 -1.740) 4.041 13.396 ( 1.326 4.218 3.675) 5.749 13.480 ( 0.884 -4.153 1.139) 4.396 13.733 ( 0.582 0.711 -2.191) 2.376 13.750 ( 1.104 -1.000 -2.253) 2.701 14.113 ( -0.544 2.824 2.282) 3.672 14.190 ( 0.046 -5.154 1.122) 5.276 14.594 ( -1.872 0.781 -0.458) 2.080 14.616 ( -2.184 -1.358 -0.207) 2.580 22.664 ( 0.245 8.746 2.643) 9.139 22.787 ( 0.325 -3.894 1.555) 4.206 22.892 ( 1.061 2.470 -1.873) 3.276 22.951 ( 0.670 -3.297 -1.709) 3.774 23.550 ( 3.259 4.803 -6.095) 8.416 23.603 ( 0.406 -0.461 -6.890) 6.918 23.794 ( -0.207 2.006 -0.583) 2.100 23.862 ( -1.025 -4.302 -2.064) 4.880 23.928 ( 2.124 2.775 0.289) 3.506 23.972 ( 3.126 -1.193 -1.806) 3.802 24.237 ( -2.029 1.265 1.796) 2.991 24.262 ( -1.885 -1.093 0.671) 2.280 24.416 ( -1.300 0.713 -1.873) 2.389 24.428 ( -1.030 -0.275 -2.109) 2.363 24.561 ( 2.042 1.146 0.902) 2.510 24.580 ( 2.243 -0.780 0.685) 2.472 24.781 ( 0.711 0.002 6.386) 6.426 24.793 ( 0.141 -1.116 6.305) 6.405 25.076 ( -0.465 4.129 -2.612) 4.908 25.165 ( -1.333 -4.986 -2.302) 5.651 25.592 ( -0.788 3.358 8.896) 9.541 25.667 ( -0.668 -4.643 12.344) 13.206 26.253 ( 2.708 10.609 -5.235) 12.137 26.447 ( 4.072 -9.072 -7.047) 12.187 27.170 ( -1.904 1.399 -0.111) 2.365 27.214 ( -3.297 -3.175 -0.226) 4.583 27.342 ( 0.257 1.038 0.788) 1.328 27.363 ( 0.838 -1.087 0.545) 1.477 27.684 ( -0.259 3.904 0.599) 3.959 27.751 ( 1.135 -1.842 0.996) 2.382 27.858 ( -2.338 2.384 -0.758) 3.424 27.948 ( -0.499 -5.675 -2.189) 6.103 ======================= Grid point 91 (41/64) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( 2.607 0.000 22.865) 23.013 0.882 ( -10.906 0.000 23.387) 25.804 1.278 ( -0.828 0.000 -20.541) 20.558 1.294 ( 11.685 0.000 -21.183) 24.193 1.629 ( 8.599 0.000 36.883) 37.872 1.926 ( -0.634 0.000 1.992) 2.090 1.938 ( 0.671 0.000 1.398) 1.551 2.103 ( -5.500 0.000 -10.434) 11.795 2.296 ( -2.955 0.000 -2.726) 4.021 2.311 ( 0.789 0.000 -1.872) 2.032 2.440 ( -4.005 0.000 4.821) 6.268 2.500 ( -1.076 0.000 6.014) 6.109 2.513 ( 11.499 0.000 -1.782) 11.636 2.621 ( -0.044 0.000 -2.644) 2.644 2.718 ( 2.308 0.000 6.110) 6.532 2.839 ( 0.735 0.000 -3.528) 3.604 2.867 ( 2.235 0.000 4.307) 4.852 2.911 ( -0.400 0.000 -3.027) 3.054 2.945 ( -3.690 0.000 -1.166) 3.869 3.007 ( -0.564 0.000 -3.131) 3.182 3.025 ( 4.023 0.000 5.323) 6.672 3.065 ( 3.618 0.000 0.329) 3.633 3.093 ( -2.939 0.000 0.054) 2.940 3.123 ( -6.836 0.000 0.189) 6.839 3.222 ( 1.000 0.000 -0.743) 1.246 3.271 ( -4.173 0.000 -5.090) 6.582 3.313 ( -0.466 0.000 0.725) 0.861 3.385 ( -1.106 0.000 -6.475) 6.569 3.499 ( -0.237 0.000 1.043) 1.069 3.504 ( -3.048 0.000 0.448) 3.080 3.623 ( 2.090 0.000 -1.360) 2.493 3.631 ( -1.591 0.000 -4.084) 4.383 3.734 ( 1.794 0.000 -1.897) 2.611 3.735 ( -4.796 0.000 2.772) 5.540 3.750 ( 1.514 0.000 1.972) 2.486 3.852 ( 0.500 0.000 -2.128) 2.186 3.900 ( -3.720 0.000 2.060) 4.253 3.956 ( 3.417 0.000 -6.936) 7.732 3.985 ( -3.391 0.000 0.737) 3.470 4.042 ( 1.237 0.000 -5.332) 5.473 4.193 ( 5.957 0.000 1.181) 6.072 4.220 ( -2.581 0.000 -2.311) 3.464 4.283 ( -1.517 0.000 5.657) 5.857 4.368 ( 0.797 0.000 -3.487) 3.577 4.417 ( 1.172 0.000 2.433) 2.700 4.442 ( -1.826 0.000 1.397) 2.299 4.491 ( -1.724 0.000 1.489) 2.278 4.501 ( 3.096 0.000 -0.302) 3.110 4.592 ( -1.091 0.000 4.814) 4.936 4.642 ( 1.283 0.000 -0.443) 1.358 4.719 ( -0.099 0.000 -1.050) 1.054 4.749 ( -0.233 0.000 -3.945) 3.952 4.870 ( -2.498 0.000 4.499) 5.146 4.895 ( 1.257 0.000 2.172) 2.510 5.038 ( -1.202 0.000 0.666) 1.374 5.074 ( 1.450 0.000 -3.297) 3.602 5.120 ( 0.153 0.000 -0.042) 0.159 5.154 ( -1.563 0.000 -4.233) 4.513 5.423 ( 1.003 0.000 5.886) 5.971 5.463 ( 0.568 0.000 1.325) 1.441 5.554 ( 0.928 0.000 -2.182) 2.371 5.561 ( -2.439 0.000 -1.938) 3.115 6.006 ( -2.759 0.000 7.591) 8.077 6.126 ( 9.960 0.000 -4.804) 11.058 6.263 ( -0.913 0.000 -1.293) 1.583 6.273 ( 1.846 0.000 -3.552) 4.003 6.623 ( -0.020 0.000 8.185) 8.185 6.687 ( -2.614 0.000 3.431) 4.313 6.751 ( 2.899 0.000 -2.608) 3.900 6.768 ( -0.005 0.000 -6.558) 6.558 7.042 ( -2.679 0.000 2.822) 3.891 7.101 ( 1.442 0.000 -3.554) 3.836 8.758 ( -0.609 0.000 0.805) 1.009 8.772 ( 0.584 0.000 -0.709) 0.919 9.018 ( -0.683 0.000 0.992) 1.204 9.034 ( 0.602 0.000 -0.732) 0.948 9.152 ( 1.668 0.000 2.564) 3.059 9.206 ( -2.279 0.000 -3.194) 3.923 9.348 ( 1.073 0.000 2.742) 2.944 9.402 ( -0.025 0.000 -3.052) 3.052 10.069 ( -0.770 0.000 0.694) 1.037 10.075 ( 1.062 0.000 -0.027) 1.062 10.164 ( 3.204 0.000 3.313) 4.608 10.228 ( -3.599 0.000 -3.605) 5.094 10.476 ( 0.373 0.000 1.627) 1.670 10.500 ( 0.303 0.000 -1.280) 1.315 10.584 ( 4.668 0.000 2.309) 5.208 10.617 ( -9.209 0.000 -0.793) 9.243 10.768 ( 0.121 0.000 -0.555) 0.568 10.770 ( 0.724 0.000 -0.795) 1.075 10.826 ( -1.510 0.000 3.133) 3.478 10.890 ( 1.358 0.000 -3.586) 3.834 11.080 ( -0.291 0.000 1.607) 1.633 11.102 ( -0.644 0.000 -0.563) 0.855 11.305 ( -1.547 0.000 0.461) 1.615 11.330 ( -0.487 0.000 -1.614) 1.686 11.583 ( 0.632 0.000 1.596) 1.716 11.630 ( 0.085 0.000 -3.109) 3.110 11.972 ( 0.520 0.000 2.374) 2.430 11.996 ( -0.677 0.000 -0.321) 0.749 12.269 ( 0.966 0.000 0.021) 0.966 12.277 ( -2.705 0.000 -0.885) 2.846 12.414 ( -0.816 0.000 1.376) 1.600 12.429 ( 0.634 0.000 -0.325) 0.713 13.628 ( 2.790 0.000 1.803) 3.322 13.662 ( -3.070 0.000 -1.910) 3.615 13.842 ( 4.802 0.000 2.362) 5.352 13.898 ( -4.941 0.000 -3.836) 6.255 14.431 ( 16.127 0.000 2.347) 16.296 14.455 ( -6.384 0.000 -0.332) 6.393 14.593 ( -4.895 0.000 0.097) 4.896 14.600 ( 4.612 0.000 -0.655) 4.658 22.222 ( 0.017 0.000 0.471) 0.472 22.231 ( -0.010 0.000 -0.477) 0.477 22.984 ( -0.430 0.000 1.121) 1.200 23.002 ( 1.062 0.000 -0.883) 1.381 23.206 ( -0.200 0.000 2.769) 2.776 23.266 ( 0.224 0.000 -3.724) 3.731 23.815 ( 0.534 0.000 1.324) 1.428 23.844 ( -0.660 0.000 -1.832) 1.948 24.017 ( 1.875 0.000 2.451) 3.086 24.062 ( -0.658 0.000 -2.467) 2.554 24.191 ( -0.354 0.000 0.968) 1.030 24.205 ( 0.120 0.000 -0.554) 0.567 24.388 ( -1.002 0.000 0.360) 1.064 24.404 ( 0.985 0.000 -1.339) 1.662 24.585 ( 1.809 0.000 1.089) 2.112 24.587 ( -1.738 0.000 0.625) 1.847 24.859 ( -2.912 0.000 3.212) 4.336 24.910 ( 1.957 0.000 -2.346) 3.055 25.128 ( 6.247 0.000 5.258) 8.165 25.228 ( -4.790 0.000 -5.293) 7.139 25.560 ( -0.581 0.000 7.814) 7.835 25.710 ( 0.455 0.000 -8.280) 8.293 26.642 ( -20.044 0.000 2.102) 20.154 26.684 ( 12.203 0.000 -2.391) 12.436 27.160 ( -3.739 0.000 -0.338) 3.755 27.165 ( 2.965 0.000 -0.760) 3.061 27.318 ( -4.071 0.000 2.734) 4.904 27.364 ( 2.634 0.000 -2.274) 3.480 27.702 ( -6.155 0.000 2.999) 6.847 27.745 ( 11.722 0.000 -1.818) 11.862 27.932 ( 0.168 0.000 7.043) 7.045 28.066 ( 0.002 0.000 -7.232) 7.232 ======================= Grid point 92 (42/64) ======================= q-point: ( 0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( -1.228 0.000 12.926) 12.984 0.971 ( 6.520 0.000 20.895) 21.889 1.300 ( 3.991 0.000 -16.995) 17.457 1.476 ( 6.058 0.000 -21.466) 22.305 1.768 ( 1.862 0.000 28.617) 28.678 1.917 ( -2.153 0.000 -4.101) 4.631 1.976 ( 3.493 0.000 0.898) 3.607 1.983 ( -3.872 0.000 -9.453) 10.215 2.175 ( -8.858 0.000 -0.954) 8.909 2.245 ( -6.326 0.000 1.022) 6.408 2.367 ( -4.281 0.000 -2.124) 4.779 2.458 ( -2.630 0.000 3.333) 4.245 2.616 ( 0.465 0.000 -1.157) 1.247 2.688 ( 6.103 0.000 4.005) 7.300 2.724 ( -1.787 0.000 -2.023) 2.699 2.750 ( -6.944 0.000 -3.992) 8.010 2.834 ( -3.475 0.000 -1.994) 4.006 2.914 ( -0.212 0.000 1.655) 1.669 2.930 ( 0.936 0.000 2.752) 2.907 2.985 ( -4.041 0.000 -3.996) 5.683 3.052 ( 2.404 0.000 -5.273) 5.795 3.076 ( 4.999 0.000 1.039) 5.106 3.155 ( 4.944 0.000 1.148) 5.075 3.213 ( 9.038 0.000 12.372) 15.322 3.235 ( -0.193 0.000 -2.077) 2.086 3.280 ( 1.022 0.000 1.939) 2.192 3.307 ( 0.247 0.000 1.007) 1.037 3.403 ( 3.327 0.000 -4.325) 5.456 3.453 ( -1.702 0.000 4.174) 4.508 3.502 ( 1.213 0.000 1.677) 2.070 3.582 ( -2.130 0.000 -2.780) 3.502 3.587 ( -2.228 0.000 -2.075) 3.045 3.698 ( 0.249 0.000 2.147) 2.162 3.790 ( 3.860 0.000 0.421) 3.882 3.819 ( -0.024 0.000 2.441) 2.442 3.888 ( 4.724 0.000 1.863) 5.078 3.897 ( 3.982 0.000 -2.597) 4.755 3.928 ( -2.207 0.000 1.931) 2.932 4.028 ( 1.869 0.000 -2.133) 2.836 4.045 ( 1.361 0.000 -5.228) 5.403 4.183 ( -1.246 0.000 -4.176) 4.358 4.254 ( 0.287 0.000 2.313) 2.331 4.283 ( 0.503 0.000 0.308) 0.590 4.366 ( 0.029 0.000 -0.240) 0.242 4.421 ( -3.381 0.000 0.814) 3.477 4.440 ( 1.110 0.000 0.461) 1.202 4.469 ( 3.235 0.000 3.181) 4.537 4.516 ( -1.453 0.000 -1.892) 2.386 4.561 ( -2.573 0.000 1.949) 3.228 4.662 ( 0.937 0.000 -0.601) 1.113 4.735 ( 1.469 0.000 -0.367) 1.514 4.770 ( 2.264 0.000 -1.312) 2.617 4.816 ( -3.327 0.000 3.916) 5.138 4.916 ( 0.826 0.000 2.511) 2.643 5.032 ( 0.749 0.000 1.221) 1.433 5.101 ( 0.912 0.000 -2.864) 3.005 5.155 ( 3.580 0.000 1.493) 3.879 5.161 ( 2.222 0.000 -2.692) 3.491 5.432 ( -0.512 0.000 4.075) 4.107 5.477 ( 0.657 0.000 1.193) 1.362 5.509 ( -2.506 0.000 0.879) 2.656 5.573 ( 1.039 0.000 -2.349) 2.568 5.900 ( -7.630 0.000 0.992) 7.694 6.165 ( -5.001 0.000 -9.367) 10.618 6.248 ( -0.491 0.000 -1.232) 1.327 6.286 ( -0.897 0.000 -4.880) 4.962 6.622 ( -0.448 0.000 7.984) 7.996 6.629 ( -3.414 0.000 3.507) 4.894 6.764 ( 0.204 0.000 -7.445) 7.448 6.785 ( 0.527 0.000 -2.699) 2.750 6.957 ( -5.436 0.000 3.311) 6.365 7.080 ( -2.222 0.000 -1.210) 2.531 8.711 ( -3.669 0.000 0.517) 3.705 8.735 ( -3.795 0.000 -0.100) 3.796 9.034 ( 1.862 0.000 0.708) 1.992 9.064 ( 2.047 0.000 -0.508) 2.109 9.148 ( -1.960 0.000 3.027) 3.606 9.151 ( -2.662 0.000 -3.033) 4.036 9.373 ( 1.005 0.000 2.114) 2.340 9.414 ( 1.189 0.000 -2.933) 3.165 10.044 ( -1.472 0.000 0.451) 1.539 10.083 ( -0.378 0.000 -0.624) 0.730 10.183 ( -0.695 0.000 -2.610) 2.701 10.222 ( 0.367 0.000 3.623) 3.642 10.441 ( -2.286 0.000 0.654) 2.378 10.458 ( -1.857 0.000 0.746) 2.001 10.525 ( -0.672 0.000 -1.107) 1.295 10.645 ( 1.054 0.000 4.485) 4.607 10.759 ( -0.726 0.000 -1.555) 1.716 10.760 ( -1.158 0.000 -0.550) 1.282 10.826 ( 1.021 0.000 3.541) 3.686 10.892 ( -1.537 0.000 -2.601) 3.021 11.095 ( 1.653 0.000 1.781) 2.430 11.095 ( -0.270 0.000 -0.077) 0.281 11.302 ( 0.818 0.000 1.080) 1.355 11.334 ( 0.975 0.000 -0.431) 1.066 11.647 ( 5.037 0.000 0.892) 5.115 11.675 ( 3.964 0.000 -3.020) 4.984 11.994 ( 0.448 0.000 0.009) 0.449 11.996 ( 1.608 0.000 2.228) 2.748 12.247 ( -0.322 0.000 0.873) 0.930 12.299 ( 1.988 0.000 1.353) 2.405 12.421 ( 1.347 0.000 0.920) 1.632 12.446 ( 0.941 0.000 0.521) 1.076 13.587 ( -4.895 0.000 -1.655) 5.167 13.677 ( 1.949 0.000 1.651) 2.554 13.791 ( -4.955 0.000 -3.174) 5.885 13.888 ( -1.998 0.000 0.050) 1.998 14.293 ( -6.317 0.000 -6.674) 9.190 14.536 ( 0.427 0.000 -0.637) 0.767 14.549 ( -0.491 0.000 1.359) 1.445 14.719 ( 2.410 0.000 -1.630) 2.909 22.222 ( 0.034 0.000 0.461) 0.462 22.230 ( 0.016 0.000 -0.479) 0.480 22.973 ( -0.660 0.000 0.714) 0.973 23.007 ( -0.481 0.000 -1.056) 1.161 23.230 ( 2.306 0.000 3.614) 4.287 23.320 ( 4.672 0.000 -6.164) 7.735 23.809 ( -1.186 0.000 1.235) 1.712 23.818 ( -1.662 0.000 -1.875) 2.505 24.057 ( 1.773 0.000 1.511) 2.329 24.066 ( 1.102 0.000 -3.320) 3.499 24.199 ( 1.378 0.000 0.677) 1.536 24.216 ( 1.148 0.000 -0.007) 1.148 24.370 ( -0.849 0.000 0.536) 1.004 24.423 ( 1.118 0.000 -1.326) 1.735 24.534 ( -3.605 0.000 0.056) 3.605 24.589 ( -1.519 0.000 1.449) 2.099 24.811 ( -2.033 0.000 3.865) 4.367 24.930 ( -0.266 0.000 -1.387) 1.412 25.162 ( -0.973 0.000 -7.614) 7.676 25.208 ( 0.894 0.000 7.307) 7.362 25.553 ( -0.367 0.000 7.348) 7.357 25.708 ( -0.144 0.000 -7.734) 7.735 26.164 ( -20.877 0.000 18.388) 27.820 26.736 ( -6.730 0.000 -6.261) 9.191 27.176 ( 4.739 0.000 2.839) 5.524 27.262 ( 4.156 0.000 -1.536) 4.430 27.298 ( 0.277 0.000 2.070) 2.088 27.455 ( 6.764 0.000 2.869) 7.348 27.589 ( -5.090 0.000 -0.575) 5.123 27.930 ( -0.677 0.000 7.202) 7.233 27.942 ( 7.944 0.000 -9.102) 12.081 28.057 ( -0.565 0.000 -7.784) 7.805 ======================= Grid point 93 (43/64) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( 8.416 0.000 0.524) 8.432 1.134 ( 8.724 0.000 17.598) 19.641 1.406 ( 7.391 0.000 -10.964) 13.222 1.433 ( -9.215 0.000 -19.529) 21.594 1.699 ( -7.495 0.000 12.064) 14.202 1.838 ( -2.577 0.000 -13.960) 14.196 1.978 ( -5.822 0.000 -1.962) 6.144 1.997 ( -2.235 0.000 4.725) 5.227 2.065 ( 3.418 0.000 0.688) 3.487 2.095 ( -9.106 0.000 -2.082) 9.341 2.297 ( -1.262 0.000 0.158) 1.272 2.417 ( -2.206 0.000 1.250) 2.536 2.611 ( -3.431 0.000 2.592) 4.300 2.685 ( -2.218 0.000 -2.896) 3.648 2.693 ( 2.510 0.000 7.607) 8.011 2.775 ( 2.655 0.000 4.544) 5.263 2.787 ( -1.528 0.000 -3.020) 3.384 2.875 ( 1.750 0.000 -3.965) 4.334 2.943 ( 1.002 0.000 -0.218) 1.026 2.990 ( 0.777 0.000 -5.618) 5.671 3.047 ( -4.362 0.000 -2.337) 4.948 3.167 ( 1.537 0.000 -5.551) 5.760 3.190 ( -6.428 0.000 3.727) 7.430 3.205 ( 5.218 0.000 -0.472) 5.239 3.303 ( 1.065 0.000 3.649) 3.801 3.322 ( -1.343 0.000 9.859) 9.950 3.336 ( 5.312 0.000 -0.158) 5.315 3.447 ( 3.587 0.000 -1.024) 3.731 3.483 ( 2.641 0.000 5.518) 6.118 3.550 ( 0.347 0.000 -2.954) 2.974 3.569 ( 2.111 0.000 0.129) 2.115 3.576 ( 1.123 0.000 0.305) 1.164 3.760 ( 5.716 0.000 1.403) 5.885 3.824 ( 1.950 0.000 2.405) 3.096 3.855 ( 2.477 0.000 1.983) 3.173 3.905 ( 0.512 0.000 4.474) 4.504 3.969 ( 2.206 0.000 -2.326) 3.206 3.977 ( 2.469 0.000 1.863) 3.093 4.015 ( -0.695 0.000 -3.755) 3.819 4.110 ( 2.996 0.000 -0.146) 3.000 4.156 ( -1.022 0.000 -3.590) 3.733 4.244 ( -2.633 0.000 0.261) 2.646 4.267 ( 0.118 0.000 0.365) 0.384 4.381 ( -0.487 0.000 2.056) 2.113 4.397 ( 2.249 0.000 -0.333) 2.274 4.457 ( -1.026 0.000 3.589) 3.733 4.473 ( -0.394 0.000 0.078) 0.402 4.509 ( -1.623 0.000 -2.857) 3.286 4.536 ( 2.471 0.000 -0.564) 2.535 4.676 ( 0.314 0.000 -1.665) 1.695 4.755 ( -2.598 0.000 7.163) 7.619 4.762 ( 1.063 0.000 2.060) 2.318 4.819 ( 2.281 0.000 -3.315) 4.024 4.932 ( 0.620 0.000 1.765) 1.871 5.066 ( 2.611 0.000 1.287) 2.911 5.096 ( -1.000 0.000 -3.370) 3.515 5.211 ( 2.409 0.000 -1.065) 2.634 5.230 ( 3.014 0.000 3.122) 4.339 5.404 ( -2.296 0.000 2.941) 3.731 5.479 ( -0.670 0.000 -0.953) 1.165 5.485 ( 0.180 0.000 5.801) 5.804 5.593 ( 1.422 0.000 -2.259) 2.669 5.763 ( -5.913 0.000 -4.718) 7.564 5.971 ( -12.395 0.000 -10.771) 16.421 6.246 ( 0.439 0.000 -1.538) 1.600 6.266 ( -1.049 0.000 -1.066) 1.495 6.579 ( -1.670 0.000 3.605) 3.973 6.613 ( -1.040 0.000 7.925) 7.993 6.748 ( -3.934 0.000 -3.817) 5.482 6.768 ( 0.414 0.000 -7.527) 7.538 6.898 ( -0.326 0.000 5.028) 5.039 7.046 ( -1.308 0.000 -3.408) 3.650 8.647 ( -2.623 0.000 0.241) 2.634 8.662 ( -3.338 0.000 0.263) 3.348 9.064 ( 0.537 0.000 1.047) 1.177 9.097 ( 1.204 0.000 -0.382) 1.263 9.108 ( -1.584 0.000 2.310) 2.801 9.114 ( -1.006 0.000 -3.215) 3.368 9.385 ( 0.279 0.000 2.428) 2.444 9.433 ( 0.784 0.000 -2.455) 2.577 10.026 ( -0.308 0.000 0.264) 0.406 10.068 ( -0.989 0.000 -1.147) 1.514 10.186 ( 0.644 0.000 -1.391) 1.533 10.197 ( -1.424 0.000 2.237) 2.652 10.423 ( -1.427 0.000 0.971) 1.726 10.456 ( 0.655 0.000 -1.476) 1.614 10.530 ( 1.996 0.000 -1.536) 2.518 10.621 ( -3.296 0.000 3.498) 4.807 10.743 ( -0.598 0.000 -0.059) 0.601 10.747 ( -0.446 0.000 -1.306) 1.380 10.852 ( 1.148 0.000 4.066) 4.225 10.875 ( 0.503 0.000 -0.752) 0.904 11.090 ( -0.236 0.000 0.572) 0.619 11.118 ( 0.499 0.000 0.043) 0.501 11.331 ( 2.141 0.000 -1.411) 2.565 11.349 ( 0.256 0.000 0.193) 0.321 11.734 ( 3.383 0.000 0.209) 3.390 11.745 ( 3.035 0.000 -2.079) 3.678 12.009 ( 0.991 0.000 0.776) 1.259 12.024 ( 0.992 0.000 1.431) 1.741 12.264 ( 1.910 0.000 2.123) 2.856 12.333 ( 1.211 0.000 1.145) 1.666 12.457 ( -0.047 0.000 2.656) 2.656 12.459 ( 2.407 0.000 -0.239) 2.419 13.483 ( -5.512 0.000 0.963) 5.596 13.676 ( -3.424 0.000 -3.448) 4.859 13.730 ( -1.390 0.000 -1.601) 2.120 13.778 ( -5.321 0.000 -6.006) 8.024 14.292 ( 4.661 0.000 -1.859) 5.018 14.504 ( -4.117 0.000 1.497) 4.380 14.561 ( 1.613 0.000 2.697) 3.142 14.699 ( -2.590 0.000 -0.411) 2.622 22.223 ( 0.006 0.000 0.440) 0.440 22.231 ( 0.041 0.000 -0.467) 0.469 22.964 ( -0.234 0.000 0.680) 0.719 22.992 ( -0.831 0.000 -0.686) 1.078 23.279 ( 2.137 0.000 4.940) 5.383 23.397 ( 3.374 0.000 -8.157) 8.827 23.780 ( -1.600 0.000 0.661) 1.731 23.787 ( -1.432 0.000 -1.720) 2.238 24.073 ( -0.186 0.000 2.310) 2.318 24.091 ( 1.495 0.000 -3.426) 3.738 24.241 ( 2.502 0.000 -0.286) 2.519 24.244 ( 1.522 0.000 0.514) 1.606 24.359 ( -0.239 0.000 0.883) 0.915 24.442 ( -0.362 0.000 -0.861) 0.934 24.469 ( -1.681 0.000 -1.062) 1.988 24.537 ( -3.582 0.000 1.986) 4.096 24.791 ( -0.349 0.000 4.507) 4.521 24.901 ( -1.991 0.000 -2.278) 3.026 25.169 ( -4.346 0.000 11.292) 12.099 25.187 ( 3.400 0.000 -8.037) 8.726 25.558 ( 0.322 0.000 6.708) 6.716 25.700 ( -0.273 0.000 -7.099) 7.104 25.973 ( -1.778 0.000 19.243) 19.325 26.545 ( -10.651 0.000 -13.210) 16.969 27.256 ( 3.130 0.000 0.943) 3.269 27.301 ( -0.157 0.000 0.447) 0.474 27.324 ( 2.818 0.000 0.336) 2.838 27.470 ( -4.406 0.000 1.300) 4.594 27.638 ( 7.836 0.000 7.496) 10.844 27.917 ( -1.017 0.000 7.511) 7.579 28.030 ( 2.473 0.000 -10.466) 10.754 28.035 ( -1.487 0.000 -8.942) 9.065 ======================= Grid point 94 (44/64) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 4.462 0.000 3.816) 5.871 1.183 ( -14.455 0.000 -13.162) 19.549 1.240 ( -0.462 0.000 14.414) 14.421 1.503 ( 1.159 0.000 8.205) 8.286 1.613 ( -1.537 0.000 -9.646) 9.768 1.842 ( 4.075 0.000 -14.388) 14.954 1.877 ( 1.018 0.000 0.792) 1.290 1.925 ( -3.738 0.000 -3.140) 4.882 2.027 ( 1.387 0.000 4.178) 4.402 2.113 ( 0.372 0.000 -4.012) 4.029 2.319 ( 3.069 0.000 3.221) 4.449 2.366 ( -3.091 0.000 -0.979) 3.242 2.558 ( -2.200 0.000 8.663) 8.938 2.641 ( -1.498 0.000 2.189) 2.652 2.716 ( -1.167 0.000 12.717) 12.771 2.765 ( -6.299 0.000 -1.082) 6.391 2.797 ( 2.202 0.000 -1.719) 2.794 2.918 ( 2.106 0.000 -8.105) 8.374 2.978 ( 2.567 0.000 -2.083) 3.306 2.985 ( 0.682 0.000 -1.394) 1.551 3.046 ( 5.172 0.000 0.702) 5.219 3.056 ( -6.623 0.000 2.668) 7.140 3.190 ( -3.406 0.000 -2.613) 4.293 3.212 ( 3.004 0.000 -5.176) 5.984 3.303 ( -0.527 0.000 7.058) 7.077 3.378 ( 0.695 0.000 -2.653) 2.743 3.410 ( 6.579 0.000 2.350) 6.986 3.460 ( -3.467 0.000 3.789) 5.136 3.513 ( -2.277 0.000 -5.154) 5.635 3.543 ( 4.311 0.000 -3.536) 5.575 3.611 ( 0.487 0.000 1.398) 1.480 3.618 ( 1.510 0.000 2.087) 2.576 3.843 ( 2.156 0.000 3.801) 4.370 3.859 ( -3.153 0.000 1.055) 3.325 3.901 ( 4.267 0.000 2.565) 4.979 3.943 ( 2.271 0.000 3.477) 4.153 3.966 ( -1.586 0.000 -5.351) 5.581 3.993 ( 0.735 0.000 4.841) 4.896 3.995 ( -0.834 0.000 -2.933) 3.049 4.107 ( -2.122 0.000 -5.518) 5.912 4.168 ( 1.524 0.000 0.685) 1.671 4.203 ( -1.307 0.000 -2.786) 3.078 4.290 ( 2.382 0.000 2.850) 3.714 4.363 ( -3.014 0.000 -4.435) 5.362 4.390 ( 0.701 0.000 4.281) 4.338 4.436 ( -0.975 0.000 2.918) 3.077 4.486 ( 0.499 0.000 -1.275) 1.369 4.549 ( -0.368 0.000 -4.850) 4.864 4.582 ( 5.532 0.000 5.517) 7.813 4.654 ( -3.474 0.000 -2.875) 4.509 4.748 ( 2.891 0.000 9.538) 9.967 4.756 ( -1.854 0.000 3.548) 4.004 4.842 ( 0.070 0.000 -3.487) 3.488 4.932 ( -0.468 0.000 -4.110) 4.136 5.082 ( 0.032 0.000 -0.603) 0.604 5.112 ( 1.287 0.000 -0.923) 1.584 5.239 ( -1.757 0.000 1.355) 2.218 5.240 ( 1.109 0.000 0.575) 1.249 5.371 ( -1.296 0.000 6.070) 6.207 5.454 ( -1.707 0.000 0.352) 1.743 5.521 ( 2.807 0.000 8.540) 8.989 5.616 ( -0.446 0.000 -0.857) 0.967 5.711 ( 2.440 0.000 -5.059) 5.617 5.760 ( -8.435 0.000 -11.022) 13.879 6.245 ( -0.897 0.000 -0.479) 1.017 6.262 ( 1.166 0.000 -1.883) 2.215 6.584 ( 2.131 0.000 4.272) 4.774 6.591 ( -1.302 0.000 6.344) 6.477 6.685 ( -1.972 0.000 -1.345) 2.387 6.769 ( 0.007 0.000 -7.172) 7.172 6.926 ( 2.562 0.000 4.516) 5.192 7.021 ( -1.060 0.000 -6.029) 6.122 8.625 ( 0.386 0.000 0.191) 0.430 8.625 ( -0.360 0.000 0.224) 0.424 9.054 ( -0.618 0.000 2.484) 2.560 9.098 ( -0.339 0.000 -1.651) 1.685 9.101 ( -0.117 0.000 0.632) 0.642 9.120 ( 1.159 0.000 -1.957) 2.274 9.388 ( -0.086 0.000 2.776) 2.778 9.440 ( 0.040 0.000 -2.681) 2.681 10.032 ( 0.797 0.000 0.406) 0.894 10.048 ( -0.975 0.000 -1.153) 1.510 10.181 ( -0.568 0.000 0.909) 1.072 10.201 ( 1.128 0.000 -1.355) 1.763 10.415 ( 0.563 0.000 1.307) 1.423 10.450 ( -0.380 0.000 -2.555) 2.583 10.555 ( -3.399 0.000 2.324) 4.117 10.590 ( 3.875 0.000 -1.380) 4.114 10.732 ( -0.496 0.000 0.388) 0.630 10.740 ( -0.190 0.000 -0.510) 0.544 10.865 ( 0.019 0.000 3.197) 3.197 10.899 ( 1.536 0.000 -0.714) 1.694 11.090 ( 0.212 0.000 1.636) 1.650 11.112 ( -1.067 0.000 -0.508) 1.181 11.346 ( -0.359 0.000 -0.591) 0.692 11.373 ( 2.123 0.000 -3.779) 4.335 11.761 ( -0.559 0.000 0.078) 0.564 11.776 ( 0.207 0.000 -1.361) 1.377 12.025 ( 0.538 0.000 1.005) 1.140 12.031 ( -0.273 0.000 0.560) 0.623 12.312 ( 2.571 0.000 2.058) 3.293 12.335 ( -1.154 0.000 -0.736) 1.369 12.448 ( -0.834 0.000 3.665) 3.759 12.505 ( 2.372 0.000 -1.925) 3.055 13.408 ( -1.771 0.000 7.324) 7.535 13.581 ( -3.722 0.000 -9.157) 9.885 13.725 ( 0.469 0.000 -0.430) 0.637 13.729 ( -1.251 0.000 -1.651) 2.071 14.390 ( -7.461 0.000 3.419) 8.207 14.400 ( 5.680 0.000 1.426) 5.856 14.608 ( 3.033 0.000 3.005) 4.270 14.653 ( -2.216 0.000 -1.996) 2.982 22.223 ( -0.042 0.000 0.431) 0.433 22.231 ( 0.036 0.000 -0.452) 0.453 22.965 ( 0.305 0.000 0.894) 0.945 22.978 ( -0.563 0.000 -0.461) 0.727 23.302 ( -0.116 0.000 5.423) 5.424 23.430 ( 0.344 0.000 -8.741) 8.748 23.760 ( -0.394 0.000 0.380) 0.547 23.771 ( 0.081 0.000 -0.973) 0.977 24.058 ( -1.389 0.000 3.081) 3.379 24.113 ( 0.811 0.000 -2.954) 3.064 24.260 ( -0.251 0.000 0.768) 0.808 24.266 ( -0.295 0.000 0.253) 0.388 24.376 ( 2.366 0.000 0.969) 2.557 24.396 ( -2.050 0.000 -1.165) 2.358 24.476 ( -2.629 0.000 1.253) 2.913 24.498 ( 2.794 0.000 -1.021) 2.975 24.802 ( 1.397 0.000 4.440) 4.655 24.871 ( -0.874 0.000 -3.225) 3.341 25.091 ( -4.121 0.000 10.708) 11.473 25.260 ( 4.271 0.000 -7.464) 8.600 25.565 ( -0.002 0.000 7.024) 7.024 25.692 ( -0.266 0.000 -6.787) 6.792 26.047 ( 7.432 0.000 18.529) 19.964 26.367 ( -6.677 0.000 -16.306) 17.620 27.288 ( -1.132 0.000 0.328) 1.178 27.301 ( 1.744 0.000 -0.930) 1.976 27.383 ( 3.481 0.000 1.052) 3.636 27.389 ( -3.958 0.000 0.672) 4.015 27.767 ( 4.966 0.000 10.669) 11.768 27.902 ( -0.842 0.000 7.478) 7.525 27.980 ( -4.167 0.000 -11.939) 12.645 28.051 ( 0.739 0.000 -8.828) 8.859 ======================= Grid point 95 (45/64) ======================= q-point: (-0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( -9.685 0.000 -3.473) 10.289 1.027 ( 0.813 0.000 19.200) 19.218 1.168 ( -4.681 0.000 6.159) 7.736 1.490 ( -4.240 0.000 -3.679) 5.614 1.523 ( -4.846 0.000 5.112) 7.044 1.923 ( 4.634 0.000 -6.632) 8.091 1.965 ( 2.399 0.000 0.274) 2.415 2.036 ( 10.247 0.000 -1.050) 10.301 2.059 ( 4.699 0.000 0.691) 4.750 2.129 ( 4.127 0.000 -7.866) 8.883 2.311 ( -2.280 0.000 -0.174) 2.286 2.399 ( 4.383 0.000 3.083) 5.359 2.543 ( 1.109 0.000 11.121) 11.176 2.611 ( -6.763 0.000 4.912) 8.358 2.644 ( 0.423 0.000 1.822) 1.870 2.708 ( 0.217 0.000 11.067) 11.069 2.825 ( 0.821 0.000 -0.654) 1.050 2.940 ( -0.396 0.000 -11.137) 11.144 2.948 ( -2.501 0.000 0.486) 2.547 2.994 ( 0.845 0.000 -3.728) 3.822 3.043 ( 0.937 0.000 -0.496) 1.061 3.134 ( -1.346 0.000 -1.326) 1.890 3.146 ( 2.453 0.000 2.983) 3.862 3.270 ( 3.179 0.000 -4.455) 5.473 3.310 ( 1.158 0.000 2.448) 2.708 3.350 ( -2.950 0.000 -1.746) 3.428 3.381 ( -4.098 0.000 3.211) 5.206 3.495 ( 0.597 0.000 -7.053) 7.079 3.507 ( 2.244 0.000 2.246) 3.175 3.555 ( -6.412 0.000 3.628) 7.367 3.601 ( 2.454 0.000 -5.445) 5.972 3.613 ( -1.659 0.000 -3.400) 3.783 3.777 ( -4.000 0.000 -1.418) 4.244 3.862 ( 0.532 0.000 2.426) 2.484 3.909 ( -3.796 0.000 -6.217) 7.285 3.924 ( -1.897 0.000 2.109) 2.836 3.972 ( 0.415 0.000 1.705) 1.755 3.977 ( -0.571 0.000 -4.265) 4.303 4.043 ( 2.797 0.000 7.007) 7.545 4.053 ( -3.028 0.000 -6.794) 7.439 4.159 ( -4.179 0.000 -3.324) 5.340 4.224 ( 3.759 0.000 0.994) 3.888 4.324 ( -0.694 0.000 -4.609) 4.661 4.340 ( 0.785 0.000 4.521) 4.589 4.398 ( 1.058 0.000 4.922) 5.035 4.424 ( -0.382 0.000 -1.855) 1.894 4.498 ( 0.399 0.000 3.598) 3.620 4.519 ( -6.307 0.000 -3.975) 7.455 4.569 ( 0.944 0.000 -4.918) 5.008 4.614 ( -0.663 0.000 5.025) 5.068 4.730 ( -0.644 0.000 3.431) 3.491 4.819 ( -1.990 0.000 -4.436) 4.862 4.863 ( 5.550 0.000 8.763) 10.373 4.913 ( -1.447 0.000 -6.003) 6.175 5.079 ( -0.787 0.000 -0.876) 1.177 5.091 ( -2.493 0.000 -2.155) 3.295 5.197 ( -2.734 0.000 0.894) 2.877 5.271 ( 0.872 0.000 -0.640) 1.081 5.365 ( 0.589 0.000 8.151) 8.173 5.433 ( 0.407 0.000 1.629) 1.679 5.569 ( 0.997 0.000 7.848) 7.911 5.582 ( -1.986 0.000 -3.194) 3.761 5.678 ( 1.755 0.000 -4.604) 4.927 5.831 ( 8.468 0.000 3.506) 9.165 6.238 ( 0.190 0.000 -0.899) 0.919 6.279 ( 0.572 0.000 -1.892) 1.976 6.589 ( 0.841 0.000 6.334) 6.389 6.654 ( 4.421 0.000 5.332) 6.926 6.669 ( 0.134 0.000 -0.900) 0.910 6.762 ( -0.308 0.000 -6.756) 6.763 6.988 ( 3.459 0.000 3.211) 4.720 7.007 ( 0.181 0.000 -6.851) 6.853 8.650 ( 2.874 0.000 -0.027) 2.874 8.660 ( 3.109 0.000 0.376) 3.131 9.061 ( 1.284 0.000 2.375) 2.700 9.082 ( -1.437 0.000 -0.882) 1.686 9.088 ( -1.374 0.000 0.566) 1.486 9.155 ( 2.705 0.000 -2.692) 3.816 9.381 ( -0.979 0.000 2.929) 3.088 9.433 ( -0.617 0.000 -2.632) 2.703 10.038 ( 0.191 0.000 -0.974) 0.993 10.048 ( 0.744 0.000 0.788) 1.084 10.169 ( -0.964 0.000 0.702) 1.192 10.235 ( 2.726 0.000 -1.910) 3.328 10.436 ( 0.817 0.000 0.823) 1.160 10.453 ( 0.920 0.000 -2.400) 2.571 10.503 ( -1.797 0.000 1.414) 2.286 10.668 ( 4.153 0.000 -1.421) 4.389 10.727 ( 0.026 0.000 0.806) 0.806 10.740 ( 0.275 0.000 -0.028) 0.276 10.857 ( -0.778 0.000 1.641) 1.816 10.915 ( -0.083 0.000 -2.711) 2.712 11.087 ( -1.077 0.000 0.831) 1.361 11.099 ( 0.601 0.000 1.932) 2.023 11.341 ( -0.068 0.000 -1.957) 1.959 11.397 ( 0.335 0.000 -5.400) 5.410 11.716 ( -4.025 0.000 0.851) 4.114 11.751 ( -2.692 0.000 -1.580) 3.122 12.014 ( -1.491 0.000 0.284) 1.518 12.028 ( -0.340 0.000 0.708) 0.785 12.299 ( -2.152 0.000 -1.615) 2.691 12.345 ( 0.648 0.000 0.129) 0.661 12.434 ( -0.713 0.000 2.199) 2.312 12.524 ( -1.023 0.000 -4.744) 4.853 13.472 ( 9.404 0.000 16.434) 18.934 13.550 ( 0.514 0.000 -5.138) 5.163 13.718 ( 0.399 0.000 -0.675) 0.784 13.736 ( 0.513 0.000 0.247) 0.569 14.249 ( -7.137 0.000 3.530) 7.962 14.482 ( 2.717 0.000 2.813) 3.911 14.611 ( -2.001 0.000 -2.654) 3.323 14.668 ( 2.643 0.000 2.860) 3.894 22.222 ( -0.058 0.000 0.441) 0.445 22.231 ( 0.006 0.000 -0.448) 0.448 22.972 ( 0.015 0.000 -0.205) 0.206 22.975 ( 0.569 0.000 1.137) 1.272 23.281 ( -2.252 0.000 4.891) 5.384 23.398 ( -3.191 0.000 -8.427) 9.011 23.767 ( 1.018 0.000 0.623) 1.194 23.792 ( 2.081 0.000 -0.667) 2.186 24.028 ( -1.822 0.000 3.514) 3.958 24.114 ( -0.580 0.000 -2.319) 2.391 24.237 ( -1.748 0.000 0.299) 1.773 24.241 ( -1.917 0.000 1.068) 2.194 24.379 ( 0.074 0.000 -1.376) 1.378 24.422 ( 0.242 0.000 0.933) 0.964 24.458 ( 2.390 0.000 0.153) 2.395 24.554 ( 2.836 0.000 -0.120) 2.838 24.849 ( 3.271 0.000 3.668) 4.915 24.865 ( 0.295 0.000 -3.581) 3.593 25.027 ( -3.054 0.000 9.208) 9.701 25.323 ( 2.051 0.000 -5.667) 6.026 25.566 ( -0.192 0.000 7.392) 7.394 25.687 ( 0.269 0.000 -7.252) 7.257 26.254 ( 13.615 0.000 19.104) 23.459 26.305 ( 1.664 0.000 -16.869) 16.951 27.263 ( -1.490 0.000 -0.157) 1.498 27.307 ( -2.348 0.000 -0.045) 2.348 27.336 ( -0.415 0.000 -0.860) 0.955 27.458 ( 4.483 0.000 1.927) 4.880 27.828 ( 0.601 0.000 10.659) 10.676 27.847 ( -9.969 0.000 -14.584) 17.666 27.897 ( 0.254 0.000 6.782) 6.787 28.059 ( 0.584 0.000 -7.796) 7.818 ======================= Grid point 96 (46/64) ======================= q-point: (-0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( -0.769 0.000 12.526) 12.549 1.029 ( -3.686 0.000 23.611) 23.897 1.146 ( 3.472 0.000 -9.663) 10.268 1.362 ( -6.643 0.000 -17.431) 18.653 1.495 ( 1.834 0.000 30.692) 30.747 1.948 ( -1.269 0.000 2.831) 3.102 1.951 ( -1.807 0.000 1.177) 2.156 2.144 ( 3.720 0.000 -11.270) 11.868 2.243 ( 5.899 0.000 -5.149) 7.830 2.252 ( 7.855 0.000 -0.210) 7.858 2.313 ( 5.142 0.000 2.736) 5.825 2.460 ( 1.718 0.000 4.291) 4.622 2.527 ( -2.119 0.000 5.816) 6.190 2.603 ( 2.392 0.000 8.169) 8.512 2.674 ( 1.883 0.000 4.792) 5.149 2.759 ( 5.469 0.000 6.055) 8.159 2.836 ( 0.136 0.000 1.266) 1.273 2.910 ( -0.954 0.000 -10.381) 10.425 2.937 ( 1.156 0.000 -3.238) 3.438 3.015 ( 0.585 0.000 -1.564) 1.669 3.015 ( -0.310 0.000 -0.864) 0.918 3.092 ( -6.063 0.000 -3.202) 6.856 3.149 ( 0.300 0.000 1.159) 1.198 3.264 ( -6.266 0.000 1.786) 6.515 3.274 ( -5.311 0.000 -2.499) 5.870 3.330 ( 0.011 0.000 -2.237) 2.237 3.342 ( -0.824 0.000 1.362) 1.592 3.426 ( -3.844 0.000 -3.437) 5.157 3.506 ( -0.444 0.000 -0.854) 0.962 3.542 ( 3.177 0.000 2.244) 3.889 3.565 ( -3.020 0.000 -4.935) 5.785 3.633 ( 1.012 0.000 -8.642) 8.701 3.729 ( -0.897 0.000 -2.226) 2.400 3.815 ( -6.681 0.000 2.318) 7.072 3.852 ( -5.090 0.000 -1.858) 5.418 3.856 ( -0.894 0.000 0.601) 1.078 3.952 ( -2.097 0.000 -9.453) 9.683 3.968 ( -1.901 0.000 3.684) 4.146 4.020 ( 0.647 0.000 -6.456) 6.489 4.043 ( -3.193 0.000 -2.839) 4.272 4.099 ( 1.885 0.000 4.847) 5.200 4.257 ( -0.617 0.000 -0.406) 0.738 4.317 ( -2.145 0.000 5.624) 6.019 4.344 ( 2.030 0.000 -4.196) 4.662 4.411 ( -0.988 0.000 1.207) 1.560 4.433 ( 2.323 0.000 -0.740) 2.438 4.474 ( 2.507 0.000 2.407) 3.475 4.486 ( -1.938 0.000 2.380) 3.069 4.603 ( -0.563 0.000 5.441) 5.470 4.612 ( 2.182 0.000 -2.575) 3.376 4.729 ( -0.221 0.000 1.423) 1.440 4.775 ( -2.066 0.000 -4.510) 4.961 4.883 ( -0.672 0.000 -1.499) 1.643 4.905 ( -0.977 0.000 4.184) 4.296 5.060 ( -0.934 0.000 1.002) 1.370 5.064 ( -0.265 0.000 -2.702) 2.715 5.143 ( -2.483 0.000 -0.108) 2.486 5.221 ( -4.511 0.000 -5.005) 6.738 5.394 ( 1.613 0.000 7.576) 7.746 5.455 ( 0.487 0.000 1.429) 1.510 5.552 ( -0.775 0.000 -2.853) 2.957 5.585 ( 0.284 0.000 -3.461) 3.473 5.850 ( 15.298 0.000 7.325) 16.961 5.977 ( 5.281 0.000 8.905) 10.353 6.249 ( 0.979 0.000 -1.604) 1.879 6.278 ( -0.528 0.000 -1.607) 1.691 6.613 ( 0.769 0.000 8.650) 8.684 6.694 ( 2.712 0.000 -3.241) 4.225 6.713 ( 0.357 0.000 4.861) 4.874 6.761 ( 0.916 0.000 -6.439) 6.504 7.039 ( 3.671 0.000 -5.484) 6.599 7.045 ( 1.897 0.000 2.484) 3.126 8.721 ( 4.062 0.000 -0.448) 4.087 8.727 ( 3.329 0.000 0.691) 3.400 9.048 ( -1.706 0.000 -0.798) 1.883 9.051 ( -2.271 0.000 0.832) 2.418 9.102 ( 2.741 0.000 2.163) 3.491 9.207 ( 2.280 0.000 -3.209) 3.937 9.354 ( -1.702 0.000 3.295) 3.708 9.416 ( -0.954 0.000 -2.468) 2.646 10.053 ( 1.190 0.000 -0.426) 1.264 10.063 ( 0.843 0.000 1.327) 1.572 10.148 ( -0.959 0.000 1.375) 1.676 10.279 ( 0.147 0.000 -2.613) 2.617 10.439 ( 1.516 0.000 0.972) 1.801 10.478 ( 1.611 0.000 -1.640) 2.299 10.513 ( 2.265 0.000 0.213) 2.275 10.710 ( -0.610 0.000 -1.810) 1.910 10.740 ( 1.455 0.000 0.375) 1.503 10.756 ( 1.155 0.000 -0.740) 1.371 10.848 ( -0.337 0.000 2.131) 2.157 10.895 ( -1.352 0.000 -3.795) 4.028 11.081 ( 0.128 0.000 1.480) 1.485 11.110 ( 0.260 0.000 0.485) 0.550 11.339 ( -0.145 0.000 -2.518) 2.522 11.366 ( -3.446 0.000 -4.973) 6.051 11.628 ( -4.600 0.000 1.793) 4.937 11.680 ( -4.247 0.000 -2.578) 4.968 11.982 ( -1.569 0.000 1.261) 2.013 12.014 ( -1.021 0.000 0.124) 1.028 12.268 ( -0.832 0.000 -1.204) 1.464 12.332 ( -2.134 0.000 -1.978) 2.910 12.425 ( -0.218 0.000 0.424) 0.477 12.461 ( -4.145 0.000 -1.925) 4.570 13.578 ( 2.295 0.000 -0.448) 2.338 13.693 ( 1.944 0.000 0.868) 2.129 13.755 ( 3.600 0.000 0.607) 3.651 13.823 ( 15.564 0.000 9.136) 18.047 14.160 ( 0.574 0.000 6.879) 6.903 14.505 ( -0.340 0.000 2.400) 2.424 14.581 ( -0.770 0.000 -2.057) 2.196 14.680 ( -2.298 0.000 2.496) 3.393 22.222 ( -0.027 0.000 0.462) 0.462 22.231 ( -0.016 0.000 -0.460) 0.460 22.980 ( 0.893 0.000 -0.054) 0.895 22.984 ( 0.298 0.000 1.296) 1.330 23.234 ( -2.533 0.000 3.633) 4.429 23.316 ( -4.357 0.000 -6.087) 7.486 23.793 ( 1.491 0.000 0.997) 1.794 23.834 ( 1.815 0.000 -1.459) 2.328 24.003 ( -0.680 0.000 3.640) 3.703 24.089 ( -1.743 0.000 -1.900) 2.578 24.208 ( -1.438 0.000 0.980) 1.741 24.211 ( -0.800 0.000 -0.501) 0.944 24.388 ( 0.799 0.000 -1.348) 1.567 24.407 ( -1.037 0.000 0.278) 1.073 24.529 ( 3.797 0.000 0.782) 3.877 24.593 ( 1.041 0.000 0.644) 1.224 24.878 ( 1.299 0.000 -3.306) 3.552 24.897 ( -0.145 0.000 2.411) 2.415 25.017 ( 3.243 0.000 7.937) 8.574 25.312 ( -2.963 0.000 -4.144) 5.094 25.565 ( -0.331 0.000 7.695) 7.702 25.698 ( 1.135 0.000 -8.167) 8.245 26.429 ( 11.941 0.000 -11.928) 16.878 26.568 ( 17.201 0.000 13.110) 21.627 27.227 ( -2.853 0.000 -2.097) 3.541 27.243 ( -4.065 0.000 0.695) 4.124 27.340 ( 0.533 0.000 -2.314) 2.375 27.556 ( -3.985 0.000 -1.206) 4.163 27.575 ( -7.517 0.000 -7.395) 10.545 27.798 ( -3.839 0.000 7.419) 8.354 27.917 ( 0.981 0.000 7.079) 7.146 28.065 ( 0.436 0.000 -7.266) 7.279 ======================= Grid point 97 (47/64) ======================= q-point: ( 0.00 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( -7.514 9.003 20.354) 23.491 1.131 ( 3.267 20.422 17.620) 27.169 1.326 ( 7.524 4.943 -18.142) 20.253 1.459 ( 0.644 14.507 -17.982) 23.113 1.732 ( 4.206 10.431 27.966) 30.143 1.863 ( 1.254 -2.508 1.467) 3.164 1.923 ( 1.021 -0.502 4.234) 4.385 2.196 ( -5.520 5.447 -10.601) 13.134 2.324 ( -1.041 2.906 4.274) 5.272 2.381 ( 0.235 4.099 -0.786) 4.181 2.435 ( -0.046 0.736 3.696) 3.769 2.492 ( 6.303 -1.589 -0.920) 6.565 2.570 ( -1.176 5.114 3.190) 6.141 2.602 ( 2.619 0.467 2.106) 3.393 2.745 ( 1.482 1.724 0.848) 2.427 2.815 ( 3.029 -3.488 3.415) 5.745 2.822 ( -1.037 -2.658 -1.341) 3.153 2.904 ( -3.609 -1.175 -3.709) 5.306 2.939 ( -0.508 0.271 -1.680) 1.776 2.991 ( 0.456 -1.514 -3.760) 4.079 3.016 ( 1.478 -0.485 3.717) 4.029 3.061 ( -2.190 0.196 0.794) 2.338 3.130 ( -2.626 2.542 0.730) 3.727 3.166 ( 0.684 -1.374 -1.631) 2.239 3.239 ( -0.745 3.646 -0.314) 3.735 3.280 ( -1.909 1.688 -1.610) 3.015 3.299 ( -0.425 0.121 -0.011) 0.442 3.373 ( -1.526 -1.280 -7.405) 7.668 3.479 ( -0.408 -2.675 2.067) 3.405 3.501 ( -1.188 -2.128 0.094) 2.439 3.549 ( -3.330 -4.504 1.669) 5.845 3.598 ( 2.825 -1.585 -3.278) 4.608 3.667 ( 2.629 -1.383 -1.563) 3.357 3.706 ( -4.883 -1.073 -3.884) 6.331 3.830 ( -0.020 2.038 3.274) 3.856 3.870 ( 0.359 0.290 -0.346) 0.577 3.895 ( -1.778 -0.868 0.008) 1.979 3.963 ( 0.436 0.931 -4.184) 4.308 4.005 ( -0.693 1.539 -1.550) 2.291 4.034 ( 2.266 -0.323 -3.277) 3.997 4.187 ( -0.442 -2.065 0.653) 2.211 4.214 ( 1.816 1.032 -2.194) 3.029 4.259 ( -0.371 -2.177 4.189) 4.735 4.333 ( -0.537 -2.646 -3.057) 4.079 4.418 ( 0.295 -0.655 0.716) 1.014 4.438 ( -0.836 -0.456 -0.654) 1.155 4.472 ( -1.980 -1.312 3.096) 3.902 4.517 ( 3.070 0.835 -2.227) 3.883 4.581 ( -1.172 0.064 5.073) 5.207 4.658 ( 0.338 -1.981 -2.668) 3.340 4.695 ( 0.627 -0.434 3.652) 3.731 4.771 ( -0.479 0.703 -4.528) 4.607 4.819 ( -0.607 -3.105 3.374) 4.626 4.856 ( 0.248 -1.734 -0.357) 1.788 5.065 ( -0.250 1.825 3.217) 3.707 5.087 ( 1.020 -0.207 2.295) 2.520 5.126 ( -0.428 0.768 -2.963) 3.091 5.165 ( -1.024 1.662 -5.428) 5.768 5.377 ( 0.472 -3.393 1.735) 3.840 5.415 ( 0.135 -4.738 -2.556) 5.386 5.543 ( -0.354 2.799 7.296) 7.823 5.659 ( -0.417 4.838 -4.636) 6.714 5.994 ( -2.174 -1.469 5.904) 6.461 6.066 ( 7.510 -4.582 -1.676) 8.955 6.260 ( -0.147 1.045 1.602) 1.918 6.311 ( 0.424 2.074 -3.687) 4.252 6.640 ( -0.907 1.138 6.894) 7.046 6.714 ( -0.766 2.558 3.997) 4.807 6.760 ( 1.573 1.219 -3.788) 4.279 6.816 ( 0.686 3.532 -5.188) 6.314 7.028 ( -1.986 -1.439 3.077) 3.935 7.084 ( 1.186 -1.366 -2.718) 3.265 8.758 ( 2.370 -0.033 0.413) 2.406 8.766 ( -2.247 -0.117 -0.487) 2.302 9.022 ( -1.138 -0.594 1.410) 1.906 9.048 ( 0.835 -0.019 -1.427) 1.654 9.158 ( 1.175 1.004 2.716) 3.125 9.208 ( -1.473 0.346 -2.831) 3.210 9.353 ( 1.308 0.791 1.074) 1.868 9.379 ( -0.415 -1.392 -1.503) 2.091 10.078 ( 0.216 0.462 0.323) 0.604 10.079 ( -0.284 0.843 0.447) 0.996 10.156 ( 2.063 -0.623 1.856) 2.844 10.198 ( -2.489 -2.298 -2.551) 4.241 10.481 ( 0.452 0.119 1.915) 1.971 10.506 ( 0.818 0.198 -0.946) 1.266 10.540 ( -0.666 -3.369 1.304) 3.673 10.566 ( -1.870 -2.590 -1.126) 3.388 10.778 ( -1.614 0.388 1.979) 2.583 10.833 ( 2.718 2.471 -3.926) 5.377 10.877 ( 0.582 5.085 3.339) 6.111 10.944 ( -0.792 4.562 -3.710) 5.933 11.097 ( 3.183 1.674 1.522) 3.905 11.127 ( -5.782 2.653 -1.548) 6.548 11.339 ( 1.257 4.107 1.772) 4.646 11.387 ( -2.313 5.127 -3.323) 6.533 11.583 ( 0.004 -0.212 1.166) 1.185 11.621 ( 0.451 -0.982 -2.605) 2.820 11.951 ( 0.775 -2.202 2.471) 3.399 11.978 ( -0.841 -1.972 -0.544) 2.212 12.258 ( 1.106 -0.486 1.243) 1.733 12.289 ( -3.220 0.650 -2.217) 3.963 12.412 ( -0.044 -0.116 1.412) 1.417 12.429 ( 0.330 -0.030 -0.456) 0.563 13.608 ( 1.938 -2.060 2.315) 3.655 13.647 ( -1.955 -1.572 -2.000) 3.208 13.824 ( 4.136 -2.020 1.890) 4.976 13.862 ( -2.649 -3.653 -1.950) 4.915 14.283 ( 10.706 -9.974 9.024) 17.191 14.383 ( -5.146 -6.402 -2.734) 8.656 14.594 ( 2.393 -0.546 -0.216) 2.464 14.600 ( -2.408 -0.251 -0.992) 2.616 22.332 ( -0.021 9.532 2.432) 9.837 22.413 ( -0.002 15.684 -7.585) 17.422 22.945 ( 0.282 -2.943 1.765) 3.443 22.977 ( 0.032 -1.996 -1.711) 2.629 23.279 ( 0.174 6.120 1.201) 6.239 23.325 ( 0.044 5.094 -3.392) 6.120 23.830 ( 0.294 1.525 1.142) 1.928 23.857 ( -0.362 1.252 -1.823) 2.241 23.967 ( 0.805 -3.950 2.114) 4.552 24.004 ( -0.090 -4.448 -1.950) 4.858 24.226 ( -0.746 2.129 0.610) 2.337 24.234 ( 1.026 2.183 -0.353) 2.437 24.379 ( -1.080 -0.657 0.528) 1.370 24.399 ( 0.884 -0.481 -1.475) 1.785 24.586 ( 0.616 0.227 1.296) 1.452 24.595 ( -0.560 0.586 0.214) 0.838 24.858 ( -2.528 0.025 3.599) 4.398 24.914 ( 1.675 0.577 -2.464) 3.034 25.100 ( 5.325 -2.704 5.536) 8.143 25.203 ( -4.222 -2.487 -5.402) 7.294 25.590 ( -0.794 2.879 8.169) 8.698 25.743 ( 0.113 3.080 -8.144) 8.708 26.474 ( -8.264 -12.171 12.089) 19.041 26.649 ( 3.333 -5.447 -8.390) 10.544 27.159 ( 2.127 -0.069 -0.041) 2.129 27.167 ( -3.068 0.041 -0.960) 3.215 27.329 ( -2.817 1.052 2.792) 4.104 27.377 ( 2.331 0.999 -2.216) 3.368 27.696 ( -0.820 -0.426 2.325) 2.502 27.715 ( 4.475 -1.641 0.835) 4.839 27.929 ( 0.165 -1.003 4.731) 4.839 28.041 ( -0.035 -2.559 -6.623) 7.101 ======================= Grid point 98 (48/64) ======================= q-point: ( 0.17 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( -3.476 9.842 12.679) 16.423 1.218 ( 5.495 20.519 13.962) 25.420 1.409 ( 3.898 7.695 -15.006) 17.308 1.526 ( 2.893 6.779 -19.423) 20.775 1.775 ( -0.337 1.980 15.349) 15.480 1.903 ( 1.757 -1.772 0.775) 2.613 1.985 ( 1.808 5.582 11.064) 12.524 2.070 ( -5.804 5.885 -14.237) 16.463 2.234 ( -5.953 1.010 2.067) 6.382 2.310 ( -5.471 8.715 2.312) 10.547 2.407 ( -2.638 0.783 -2.768) 3.903 2.509 ( -4.140 6.934 -1.191) 8.163 2.592 ( 2.887 -2.417 0.852) 3.861 2.674 ( 2.268 -1.953 7.086) 7.692 2.719 ( -3.188 -0.259 -6.386) 7.142 2.758 ( -2.814 0.882 -0.318) 2.966 2.842 ( -1.213 -0.449 -1.751) 2.177 2.908 ( -2.992 0.098 1.672) 3.429 2.910 ( 1.106 0.934 0.198) 1.461 2.972 ( -0.955 -1.325 -1.019) 1.925 3.032 ( 4.992 -3.823 -1.272) 6.415 3.081 ( 1.574 -0.940 0.409) 1.878 3.143 ( 2.817 -0.909 1.482) 3.310 3.199 ( 4.168 1.439 4.767) 6.494 3.266 ( -0.073 -1.152 5.021) 5.152 3.280 ( 2.057 -0.286 0.332) 2.103 3.296 ( -2.284 1.512 -4.308) 5.105 3.410 ( 6.126 -1.046 -0.917) 6.282 3.442 ( -2.575 1.454 2.362) 3.785 3.478 ( 0.466 -3.831 1.188) 4.038 3.544 ( 1.568 -1.810 0.381) 2.425 3.627 ( -1.159 2.957 -2.413) 3.989 3.657 ( 3.429 -3.004 -1.576) 4.823 3.750 ( 4.121 -3.032 1.718) 5.398 3.822 ( -0.397 1.862 3.594) 4.067 3.863 ( 1.013 -2.160 -2.581) 3.515 3.906 ( -1.131 0.383 1.172) 1.673 3.980 ( 3.680 2.220 -1.559) 4.571 4.037 ( 2.056 0.056 -5.212) 5.603 4.060 ( 1.221 1.226 -1.000) 1.998 4.169 ( -0.600 -0.707 -1.446) 1.718 4.216 ( 0.003 -2.205 2.169) 3.093 4.289 ( -0.331 -0.074 0.716) 0.792 4.341 ( 1.191 -2.880 -2.743) 4.152 4.395 ( -2.437 -0.806 1.027) 2.765 4.439 ( 0.884 -1.080 1.060) 1.753 4.455 ( 2.114 -0.758 1.138) 2.517 4.534 ( -1.261 0.617 -0.984) 1.715 4.554 ( -1.732 0.699 3.347) 3.832 4.661 ( 0.227 -2.373 -2.203) 3.246 4.728 ( 1.577 -0.290 3.845) 4.166 4.774 ( -2.330 0.319 1.595) 2.841 4.785 ( 1.282 -3.789 -2.678) 4.813 4.878 ( 1.398 -0.002 -0.302) 1.431 5.079 ( 1.375 2.497 3.185) 4.274 5.097 ( -0.491 -0.867 0.947) 1.375 5.149 ( 3.231 -0.748 -0.013) 3.317 5.171 ( 1.565 1.766 -4.866) 5.408 5.388 ( 0.721 -4.062 1.031) 4.253 5.415 ( -0.376 -4.219 -1.817) 4.608 5.532 ( -1.030 3.577 6.445) 7.443 5.651 ( -0.209 4.246 -2.240) 4.805 5.897 ( -6.970 -0.162 -0.221) 6.976 6.098 ( -4.184 -5.686 -6.159) 9.369 6.250 ( -0.794 0.801 1.202) 1.648 6.312 ( -0.414 1.806 -3.561) 4.014 6.611 ( -2.360 0.262 5.464) 5.957 6.692 ( -1.431 4.260 5.995) 7.492 6.777 ( 0.314 0.806 -6.394) 6.452 6.822 ( -0.124 3.074 -4.398) 5.367 6.953 ( -4.897 -0.413 3.168) 5.847 7.072 ( -1.856 -0.779 -1.340) 2.418 8.704 ( -3.584 -0.122 -0.563) 3.630 8.762 ( -2.548 2.002 0.516) 3.281 8.994 ( -0.304 -3.510 0.487) 3.556 9.062 ( -0.236 -1.082 0.314) 1.151 9.165 ( -0.550 1.770 2.230) 2.900 9.169 ( -2.044 1.061 -2.328) 3.275 9.371 ( 1.250 -0.649 -0.477) 1.487 9.403 ( 1.700 0.264 -0.886) 1.935 10.054 ( -1.191 0.958 0.211) 1.543 10.092 ( 0.112 0.822 0.214) 0.857 10.165 ( -0.214 -1.237 -1.027) 1.622 10.207 ( 1.528 -1.220 1.327) 2.363 10.431 ( -3.728 -0.596 0.882) 3.877 10.466 ( -1.632 0.162 0.294) 1.666 10.524 ( 0.244 -0.011 -1.153) 1.178 10.591 ( 0.205 -3.863 1.572) 4.176 10.760 ( -0.414 0.663 1.007) 1.275 10.844 ( -1.740 5.040 -2.342) 5.824 10.885 ( -0.020 4.731 3.374) 5.811 10.921 ( -1.775 3.110 -2.488) 4.361 11.046 ( 0.308 -1.108 -0.723) 1.359 11.164 ( 1.807 3.484 1.937) 4.377 11.345 ( -1.270 4.295 -0.136) 4.481 11.367 ( 1.140 3.554 0.637) 3.786 11.642 ( 5.175 -0.560 0.404) 5.221 11.670 ( 3.943 -0.630 -2.446) 4.683 11.958 ( 0.307 -2.846 0.755) 2.961 11.989 ( 1.331 -1.721 1.230) 2.499 12.243 ( -0.777 -0.362 0.263) 0.896 12.311 ( 3.333 0.863 2.656) 4.348 12.389 ( -1.211 -1.659 -0.007) 2.054 12.470 ( 2.598 1.219 0.473) 2.908 13.569 ( -4.494 -1.824 -0.890) 4.931 13.661 ( 1.458 -1.664 0.832) 2.364 13.777 ( -4.255 -1.315 -2.642) 5.178 13.856 ( -2.350 -3.058 -1.477) 4.130 14.249 ( -3.960 -3.873 -4.667) 7.243 14.416 ( 1.510 -9.221 3.685) 10.045 14.572 ( 0.364 0.508 -0.450) 0.771 14.677 ( 3.279 -2.624 -0.158) 4.202 22.328 ( -0.470 9.221 2.085) 9.466 22.389 ( -1.801 14.318 -5.346) 15.389 22.946 ( -0.260 -2.462 1.215) 2.758 22.978 ( 0.055 -2.119 -1.612) 2.663 23.278 ( 0.822 4.477 2.160) 5.038 23.375 ( 3.547 4.385 -5.012) 7.546 23.802 ( -2.195 0.203 0.306) 2.226 23.853 ( -0.709 2.602 -1.137) 2.927 23.993 ( 1.314 -5.121 1.585) 5.520 24.018 ( 1.425 -3.752 -2.492) 4.724 24.230 ( 1.400 2.139 -0.072) 2.558 24.261 ( 1.625 3.011 -0.212) 3.428 24.362 ( -0.733 -0.525 0.798) 1.203 24.418 ( 1.166 -0.697 -1.239) 1.839 24.542 ( -3.485 0.768 0.061) 3.569 24.590 ( -1.626 0.046 1.229) 2.039 24.818 ( -1.707 0.779 4.299) 4.691 24.932 ( -0.196 0.289 -1.788) 1.822 25.145 ( -0.783 -1.747 -7.259) 7.507 25.168 ( 0.876 -3.663 7.430) 8.330 25.579 ( -0.558 2.652 8.011) 8.457 25.738 ( 0.025 2.696 -6.364) 6.911 26.151 ( -16.584 -0.955 16.854) 23.664 26.662 ( -5.090 -6.924 -7.584) 11.461 27.164 ( 3.736 -0.904 1.632) 4.176 27.257 ( 4.398 -0.711 -0.434) 4.476 27.312 ( 0.059 1.279 1.982) 2.359 27.440 ( 3.866 -1.501 1.077) 4.285 27.602 ( -3.498 1.635 -1.008) 3.990 27.876 ( 5.743 -3.757 0.816) 6.911 27.935 ( 1.207 -1.777 0.236) 2.161 28.032 ( -0.585 -2.543 -6.892) 7.370 ======================= Grid point 99 (49/64) ======================= q-point: ( 0.33 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( 4.665 4.908 3.816) 7.772 1.335 ( 4.301 14.214 4.749) 15.591 1.447 ( -6.344 4.195 -9.281) 11.999 1.520 ( 5.552 9.725 -13.800) 17.772 1.732 ( -4.448 4.553 11.446) 13.097 1.888 ( -2.197 0.053 -10.813) 11.034 1.952 ( -3.533 2.295 3.567) 5.520 2.015 ( -0.392 4.877 -3.150) 5.819 2.131 ( -6.614 3.955 -0.343) 7.713 2.209 ( -4.501 8.792 0.063) 9.878 2.379 ( 0.533 3.751 -1.446) 4.055 2.432 ( -3.262 4.322 1.304) 5.570 2.608 ( -2.869 -0.274 3.776) 4.750 2.651 ( -1.288 -2.719 -0.913) 3.144 2.713 ( 1.559 -3.167 -1.018) 3.674 2.721 ( -1.698 1.453 6.311) 6.695 2.821 ( -0.023 2.087 1.313) 2.466 2.873 ( 1.136 -0.247 -2.030) 2.340 2.944 ( 2.912 -0.120 -1.136) 3.128 2.985 ( 1.045 -0.140 -4.416) 4.540 3.073 ( -2.226 1.379 0.176) 2.624 3.125 ( 0.854 -2.476 -5.202) 5.824 3.163 ( -4.532 -2.027 1.413) 5.162 3.195 ( 1.641 -2.001 0.192) 2.595 3.281 ( -0.328 -1.478 5.567) 5.769 3.308 ( 2.227 -0.941 6.257) 6.707 3.349 ( 7.233 -0.020 5.024) 8.806 3.418 ( 1.271 0.744 -0.623) 1.599 3.489 ( 0.316 -5.072 0.068) 5.082 3.527 ( 3.464 2.024 -3.322) 5.209 3.583 ( 1.544 1.092 1.983) 2.740 3.613 ( 0.112 3.025 -1.061) 3.208 3.763 ( 4.621 -4.143 1.176) 6.317 3.801 ( 4.119 0.292 1.270) 4.320 3.851 ( 0.482 -2.270 2.788) 3.627 3.873 ( 1.957 0.499 0.142) 2.025 3.930 ( 3.523 0.000 -1.484) 3.823 4.010 ( -1.593 1.335 -0.445) 2.125 4.055 ( 1.458 1.596 -1.698) 2.749 4.112 ( 3.328 -0.693 -0.062) 3.400 4.164 ( -0.119 0.948 -1.361) 1.663 4.226 ( -2.722 -1.482 2.504) 3.985 4.246 ( 1.170 -1.822 0.104) 2.168 4.357 ( 0.595 -2.638 -0.592) 2.769 4.391 ( 1.340 0.700 1.825) 2.370 4.456 ( -0.152 -0.702 2.452) 2.555 4.483 ( -2.150 -1.310 -0.938) 2.687 4.496 ( -0.232 1.676 -0.912) 1.922 4.546 ( 1.859 1.236 0.119) 2.236 4.653 ( -1.290 -2.618 -2.824) 4.062 4.717 ( -1.521 -3.515 5.755) 6.913 4.770 ( 0.856 0.962 3.383) 3.620 4.815 ( 1.435 -2.913 -2.814) 4.296 4.905 ( 1.284 0.730 -3.315) 3.629 5.086 ( -0.267 -0.154 1.377) 1.411 5.115 ( 1.939 1.821 2.751) 3.827 5.200 ( 1.350 -0.146 -2.896) 3.199 5.214 ( 2.686 -1.750 1.013) 3.362 5.390 ( -1.883 -1.869 0.580) 2.716 5.408 ( 1.154 -4.630 -0.328) 4.783 5.517 ( -0.889 3.378 6.223) 7.136 5.650 ( 0.389 3.402 -0.344) 3.441 5.772 ( -5.188 0.939 -6.046) 8.022 5.940 ( -10.367 -3.032 -7.523) 13.163 6.240 ( -0.149 0.160 0.750) 0.781 6.293 ( -1.328 1.726 -2.485) 3.304 6.574 ( -1.332 0.521 4.955) 5.157 6.674 ( -0.964 4.671 5.763) 7.481 6.745 ( -3.345 -0.024 -4.381) 5.512 6.812 ( -0.135 3.620 -6.188) 7.170 6.899 ( -0.471 0.067 4.439) 4.464 7.036 ( -1.661 -0.927 -3.024) 3.573 8.649 ( -1.825 0.642 -0.450) 1.986 8.690 ( -4.047 2.260 0.551) 4.668 9.006 ( 0.948 -4.534 -0.025) 4.632 9.043 ( -1.364 -3.172 0.986) 3.591 9.136 ( -0.629 1.286 -1.033) 1.765 9.156 ( -0.850 1.726 0.511) 1.991 9.396 ( 1.040 0.805 0.313) 1.352 9.424 ( 0.607 0.080 -1.181) 1.330 10.042 ( -0.004 1.565 0.050) 1.566 10.083 ( -0.976 1.297 -0.450) 1.685 10.173 ( 0.811 -0.700 -0.088) 1.075 10.207 ( -0.739 0.390 0.591) 1.023 10.408 ( -0.158 -1.593 0.466) 1.667 10.447 ( -0.293 -0.453 -0.727) 0.906 10.526 ( 0.441 -0.420 -1.347) 1.478 10.570 ( -2.022 -3.148 1.759) 4.135 10.752 ( -0.331 1.817 0.151) 1.853 10.805 ( -2.030 3.237 -0.492) 3.852 10.885 ( 0.521 0.962 0.741) 1.322 10.902 ( -0.252 3.852 1.903) 4.303 11.075 ( 1.768 -0.210 0.411) 1.827 11.178 ( -0.486 4.673 -0.478) 4.723 11.348 ( 1.584 2.011 -1.020) 2.755 11.377 ( -0.171 2.766 0.423) 2.804 11.732 ( 3.522 -0.225 -0.181) 3.533 11.740 ( 3.034 -0.573 -1.690) 3.520 11.975 ( 1.326 -3.058 0.907) 3.454 12.008 ( 0.460 -2.115 1.202) 2.476 12.248 ( 1.190 -1.129 1.268) 2.074 12.354 ( -1.086 0.123 -1.027) 1.499 12.395 ( 3.525 -1.244 4.687) 5.996 12.513 ( 1.622 2.068 0.293) 2.644 13.474 ( -4.983 -0.823 1.131) 5.176 13.651 ( -3.391 -2.477 -4.119) 5.882 13.720 ( -1.687 -0.945 -2.400) 3.082 13.766 ( -3.826 -1.038 -4.650) 6.111 14.260 ( 3.941 -3.010 -0.916) 5.043 14.404 ( -2.534 -7.457 3.910) 8.793 14.595 ( 1.812 1.641 0.583) 2.513 14.692 ( -1.097 -0.633 -0.113) 1.272 22.319 ( -0.423 8.552 1.439) 8.683 22.356 ( -1.177 12.170 -2.891) 12.564 22.941 ( -0.264 -2.208 1.312) 2.582 22.974 ( -0.339 -1.567 -1.555) 2.233 23.310 ( 1.833 3.025 4.194) 5.486 23.427 ( 2.121 2.397 -6.763) 7.482 23.769 ( -1.082 0.083 0.461) 1.179 23.824 ( -2.062 2.500 -1.649) 3.636 24.010 ( 0.488 -4.883 1.894) 5.261 24.044 ( 1.212 -3.831 -2.577) 4.774 24.273 ( 2.649 2.348 -0.756) 3.620 24.289 ( 1.030 3.157 0.580) 3.371 24.357 ( 0.365 0.040 0.790) 0.871 24.445 ( 1.880 -0.645 -0.848) 2.161 24.470 ( -3.977 0.925 -0.476) 4.111 24.539 ( -3.414 0.069 1.394) 3.688 24.801 ( -0.353 1.101 4.883) 5.018 24.909 ( -1.601 0.805 -2.621) 3.175 25.140 ( -3.399 -2.774 10.467) 11.349 25.170 ( 3.051 -1.767 -7.536) 8.320 25.583 ( 0.411 2.503 7.429) 7.850 25.739 ( 0.133 3.347 -6.225) 7.069 25.981 ( -2.686 1.035 17.346) 17.583 26.503 ( -9.293 -4.186 -13.252) 16.718 27.241 ( 3.494 -1.276 0.907) 3.829 27.306 ( 0.205 0.258 0.116) 0.350 27.326 ( 2.189 0.244 0.957) 2.401 27.447 ( -3.061 -2.412 1.775) 4.282 27.636 ( 6.044 0.571 4.143) 7.350 27.896 ( -1.299 -1.979 6.708) 7.114 27.986 ( 1.701 -4.186 -9.060) 10.124 28.015 ( -0.333 -1.977 -6.522) 6.823 ======================= Grid point 100 (50/64) ======================= q-point: (-0.50 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( 4.933 1.639 5.707) 7.719 1.201 ( -11.852 2.812 -16.573) 20.568 1.390 ( -3.844 11.090 13.212) 17.672 1.618 ( 0.465 12.288 8.249) 14.808 1.686 ( 1.768 5.976 -9.159) 11.078 1.890 ( -0.545 3.759 -6.727) 7.725 1.908 ( 3.264 1.186 -3.422) 4.875 1.971 ( -0.988 4.062 -4.407) 6.074 2.088 ( 1.909 6.433 2.557) 7.181 2.136 ( -2.673 3.875 -2.603) 5.379 2.382 ( -1.883 4.363 2.657) 5.444 2.412 ( 1.707 4.879 -0.141) 5.171 2.552 ( -2.556 -0.694 6.668) 7.175 2.608 ( -1.400 -3.596 0.735) 3.928 2.700 ( -1.282 -0.107 8.439) 8.536 2.771 ( 2.218 -2.040 -0.019) 3.014 2.807 ( -3.659 3.873 2.829) 6.032 2.879 ( 0.173 -2.388 -3.957) 4.625 2.988 ( -0.348 -3.006 1.388) 3.329 3.021 ( -0.501 1.001 0.817) 1.385 3.037 ( 3.180 2.861 -4.006) 5.860 3.049 ( -1.173 0.577 -1.849) 2.264 3.166 ( 0.946 -1.432 -1.846) 2.520 3.200 ( -0.198 -1.759 -3.631) 4.039 3.308 ( 1.805 0.009 6.279) 6.534 3.363 ( 3.482 -0.544 -0.377) 3.544 3.434 ( -0.133 1.543 -0.589) 1.657 3.450 ( -2.445 -1.056 3.050) 4.050 3.473 ( 2.368 -2.623 0.332) 3.549 3.559 ( 1.586 1.252 -4.055) 4.531 3.603 ( 0.728 -1.075 -0.016) 1.298 3.620 ( -0.539 0.531 -0.035) 0.757 3.817 ( -1.560 -5.381 2.487) 6.130 3.837 ( 3.414 -4.048 1.462) 5.493 3.872 ( 0.817 0.401 0.054) 0.912 3.926 ( -0.427 0.711 -2.298) 2.443 3.949 ( -2.353 0.459 2.023) 3.137 3.987 ( 1.243 2.438 -0.704) 2.825 4.089 ( 2.084 3.441 1.116) 4.175 4.137 ( -2.335 0.671 -3.322) 4.115 4.163 ( 1.576 -0.486 0.069) 1.651 4.187 ( -0.349 -1.285 -1.968) 2.376 4.289 ( 2.450 0.002 2.853) 3.761 4.348 ( -1.360 -0.877 -1.520) 2.220 4.402 ( -0.537 -0.104 2.245) 2.311 4.431 ( -0.789 0.260 1.973) 2.141 4.477 ( 0.691 -1.032 0.522) 1.347 4.544 ( 3.481 -1.993 3.011) 5.015 4.559 ( -0.116 0.373 -3.466) 3.488 4.615 ( -2.399 -2.310 -2.431) 4.124 4.712 ( 1.082 -3.115 6.927) 7.672 4.772 ( -0.735 0.198 3.012) 3.106 4.834 ( 0.664 -2.103 -2.629) 3.431 4.898 ( -1.947 -0.810 -6.724) 7.047 5.102 ( 1.706 1.820 4.426) 5.081 5.145 ( 0.443 1.142 1.287) 1.777 5.207 ( -0.632 -2.124 -0.584) 2.292 5.236 ( 0.196 -0.675 -2.337) 2.441 5.356 ( -1.237 -1.202 3.071) 3.522 5.433 ( 1.122 -4.155 -3.290) 5.417 5.508 ( -0.136 2.420 11.033) 11.297 5.648 ( -2.371 1.346 3.912) 4.769 5.726 ( 0.255 1.370 -8.732) 8.843 5.778 ( -3.113 1.244 -7.855) 8.540 6.239 ( -0.427 0.084 1.307) 1.377 6.277 ( 0.483 0.951 -2.767) 2.966 6.576 ( 1.201 0.768 5.779) 5.953 6.651 ( -1.119 3.410 -0.049) 3.589 6.699 ( -0.946 2.038 2.507) 3.367 6.808 ( -0.113 3.463 -6.531) 7.394 6.922 ( 2.211 -0.439 4.195) 4.762 7.008 ( -1.019 -1.240 -5.212) 5.453 8.634 ( -1.317 1.096 0.643) 1.830 8.645 ( 1.280 1.752 -0.483) 2.223 9.003 ( -1.013 -3.922 2.082) 4.555 9.043 ( 1.387 -3.673 -2.052) 4.431 9.134 ( -1.089 1.199 0.639) 1.741 9.144 ( 0.892 0.892 -0.611) 1.402 9.404 ( -0.280 1.703 1.103) 2.048 9.428 ( 0.002 -0.459 -1.443) 1.514 10.051 ( 0.779 1.795 0.240) 1.971 10.062 ( -0.862 1.309 -0.766) 1.744 10.188 ( -0.015 0.479 0.355) 0.597 10.198 ( 0.489 -0.161 -0.707) 0.875 10.411 ( 0.629 -0.636 1.035) 1.368 10.435 ( -0.927 -1.893 -1.378) 2.518 10.533 ( -1.671 -0.745 0.768) 1.984 10.553 ( 2.318 -2.314 -1.076) 3.447 10.760 ( 0.594 2.408 0.488) 2.528 10.768 ( -1.015 2.038 -0.428) 2.317 10.893 ( -0.764 1.913 2.133) 2.966 10.913 ( 1.800 0.658 -0.258) 1.933 11.104 ( 0.534 1.794 3.055) 3.583 11.152 ( -1.288 3.766 -1.577) 4.281 11.365 ( -0.699 2.107 -0.562) 2.290 11.391 ( 2.520 1.965 -3.519) 4.753 11.761 ( -0.486 -0.065 -0.227) 0.541 11.770 ( 0.167 -0.582 -1.098) 1.254 12.000 ( 0.919 -2.702 1.191) 3.093 12.006 ( -0.683 -2.603 0.502) 2.738 12.283 ( 2.245 -1.992 1.959) 3.584 12.317 ( -2.255 -2.008 -1.678) 3.454 12.461 ( 2.169 1.599 4.746) 5.458 12.529 ( 0.392 1.643 -2.144) 2.730 13.406 ( -1.705 -0.082 6.714) 6.928 13.567 ( -3.267 -1.315 -8.552) 9.248 13.711 ( 0.347 -1.123 -0.414) 1.246 13.727 ( -1.064 -0.512 -1.978) 2.304 14.328 ( -4.508 -5.190 4.106) 8.007 14.353 ( 4.134 -4.287 0.677) 5.994 14.633 ( 1.419 1.750 1.934) 2.970 14.660 ( -1.403 0.576 -1.275) 1.981 22.315 ( -0.054 8.195 1.154) 8.276 22.345 ( 0.121 11.329 -2.146) 11.531 22.938 ( -0.065 -2.255 1.644) 2.791 22.969 ( -0.090 -1.167 -1.595) 1.979 23.330 ( -0.305 2.547 5.322) 5.908 23.448 ( 0.484 1.581 -7.702) 7.878 23.768 ( 1.011 0.830 0.852) 1.561 23.788 ( -1.344 1.595 -1.566) 2.608 24.012 ( -0.410 -3.772 2.343) 4.459 24.055 ( 0.060 -4.543 -2.383) 5.131 24.288 ( -1.025 2.246 1.578) 2.930 24.306 ( 0.299 2.752 -0.322) 2.787 24.388 ( 2.194 1.042 0.625) 2.508 24.405 ( -1.721 0.900 -1.292) 2.333 24.471 ( -1.764 -0.417 1.467) 2.332 24.498 ( 1.916 -0.064 -1.249) 2.288 24.810 ( 1.100 0.820 4.816) 5.008 24.884 ( -0.665 1.364 -3.401) 3.724 25.074 ( -3.697 -1.719 10.158) 10.946 25.235 ( 3.757 -2.408 -7.159) 8.436 25.596 ( 0.495 2.966 7.450) 8.034 25.732 ( -0.381 3.841 -7.200) 8.170 26.031 ( 6.083 -1.342 18.104) 19.146 26.346 ( -5.707 -2.133 -15.979) 17.101 27.283 ( -0.606 -0.419 0.654) 0.985 27.299 ( 1.057 -0.132 -1.058) 1.501 27.380 ( 3.176 -0.503 1.008) 3.370 27.384 ( -3.215 -0.716 0.849) 3.401 27.749 ( 4.660 -1.380 8.353) 9.663 27.857 ( -3.324 -3.808 2.732) 5.746 27.967 ( -1.948 -1.714 -6.542) 7.038 28.025 ( 0.786 -2.512 -7.077) 7.551 ======================= Grid point 101 (51/64) ======================= q-point: (-0.33 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( -4.797 8.203 -7.916) 12.368 1.054 ( 2.255 3.112 16.009) 16.464 1.288 ( -5.820 9.587 8.272) 13.936 1.601 ( -0.492 9.798 16.537) 19.228 1.649 ( -5.855 12.715 -15.044) 20.550 1.893 ( 2.377 0.323 -0.875) 2.553 2.004 ( 1.017 1.878 -6.217) 6.573 2.057 ( 3.223 -3.348 -3.835) 6.026 2.109 ( 9.880 5.976 0.373) 11.553 2.193 ( 5.709 10.032 1.336) 11.619 2.342 ( -1.789 1.270 3.209) 3.888 2.450 ( 1.975 4.189 0.344) 4.644 2.533 ( 0.382 0.059 8.422) 8.431 2.620 ( -0.519 -1.748 1.870) 2.611 2.642 ( -1.836 1.222 5.054) 5.514 2.734 ( -0.830 2.628 8.715) 9.140 2.814 ( 1.240 -0.596 -0.661) 1.526 2.879 ( -0.478 -4.116 -4.328) 5.992 2.941 ( -1.202 -1.119 0.970) 1.908 3.018 ( -0.644 3.339 -5.856) 6.772 3.072 ( 1.202 -2.186 0.083) 2.496 3.110 ( 3.255 2.716 -1.465) 4.485 3.166 ( -1.949 -1.656 -0.409) 2.590 3.213 ( 1.650 -2.395 -2.483) 3.824 3.343 ( -3.396 0.038 -0.984) 3.536 3.353 ( 1.166 1.881 1.486) 2.666 3.410 ( -1.759 -0.501 1.330) 2.261 3.430 ( 1.130 0.635 -2.262) 2.607 3.511 ( 0.254 -2.035 0.492) 2.109 3.537 ( -5.497 -1.318 -3.978) 6.912 3.592 ( -1.739 -0.182 -2.418) 2.984 3.615 ( 1.958 -1.568 -1.161) 2.764 3.766 ( -4.536 -6.517 0.184) 7.942 3.856 ( -0.830 0.649 -1.295) 1.669 3.875 ( -1.455 -1.676 -0.252) 2.233 3.884 ( -2.129 2.334 -2.285) 3.899 3.919 ( 0.403 -1.395 -1.064) 1.800 3.983 ( -1.516 0.136 2.625) 3.034 4.077 ( -3.503 0.762 -4.131) 5.469 4.118 ( -0.191 -0.328 1.088) 1.152 4.163 ( -0.686 2.072 -2.035) 2.984 4.214 ( 1.480 -0.977 -0.336) 1.805 4.316 ( -0.885 -0.622 -2.262) 2.508 4.329 ( 0.035 -0.616 0.935) 1.121 4.412 ( 0.691 1.156 3.149) 3.425 4.419 ( 0.031 -0.539 0.144) 0.558 4.472 ( -0.450 -1.336 2.034) 2.475 4.527 ( -3.154 0.417 -2.942) 4.333 4.574 ( 1.602 -0.811 -0.540) 1.875 4.592 ( -0.316 -0.468 0.773) 0.958 4.752 ( -0.061 -1.268 3.384) 3.614 4.781 ( 2.606 -4.906 4.830) 7.362 4.833 ( -1.079 0.940 -3.097) 3.412 4.850 ( -1.413 -3.090 -4.133) 5.351 5.111 ( -1.992 1.909 0.956) 2.919 5.120 ( -1.601 0.886 2.435) 3.046 5.184 ( -1.708 -0.580 -1.893) 2.615 5.246 ( 0.137 -2.030 -2.296) 3.068 5.359 ( 0.958 -0.632 4.036) 4.196 5.429 ( -0.874 -1.960 -3.981) 4.522 5.549 ( 3.244 -0.442 7.234) 7.941 5.589 ( -1.086 1.066 7.694) 7.843 5.714 ( 1.363 2.962 -6.722) 7.471 5.861 ( 7.325 1.922 1.597) 7.739 6.235 ( 0.341 0.219 0.770) 0.870 6.297 ( 1.112 1.322 -2.404) 2.961 6.608 ( 1.655 1.308 5.873) 6.241 6.664 ( 2.034 0.932 -1.666) 2.789 6.701 ( 1.018 3.409 5.550) 6.593 6.801 ( -0.104 3.533 -6.302) 7.225 6.968 ( 1.865 -1.663 0.893) 2.654 7.005 ( 1.712 -0.231 -3.531) 3.931 8.639 ( 1.796 0.112 0.568) 1.887 8.699 ( 4.022 2.603 -0.376) 4.806 8.992 ( -0.210 -4.604 1.073) 4.732 9.068 ( 0.668 -2.054 -1.088) 2.419 9.119 ( 0.095 1.113 0.566) 1.252 9.169 ( 1.667 0.783 -0.744) 1.986 9.385 ( -1.719 0.750 1.142) 2.196 9.423 ( -0.517 -0.114 -0.995) 1.127 10.051 ( 0.173 1.256 -0.762) 1.479 10.070 ( 0.714 2.021 0.617) 2.231 10.173 ( -1.158 0.371 -0.092) 1.220 10.224 ( 1.789 -1.100 -1.076) 2.360 10.413 ( -0.656 -2.203 0.089) 2.300 10.438 ( 1.565 -0.799 0.194) 1.768 10.514 ( -0.279 0.786 -0.313) 0.891 10.598 ( 2.028 -3.935 -1.048) 4.549 10.757 ( 0.993 2.157 -0.351) 2.401 10.790 ( 1.425 3.579 0.943) 3.966 10.874 ( -1.088 1.129 1.159) 1.950 10.945 ( 1.398 1.443 -1.355) 2.423 11.065 ( -3.372 0.614 1.063) 3.589 11.170 ( 2.228 4.740 0.692) 5.283 11.351 ( -0.777 1.352 -1.533) 2.187 11.429 ( 1.414 3.094 -5.056) 6.094 11.718 ( -3.859 0.075 0.471) 3.888 11.743 ( -2.884 -0.715 -1.364) 3.269 11.979 ( -1.842 -3.349 0.444) 3.848 12.012 ( 0.023 -2.007 0.776) 2.152 12.272 ( -1.890 -1.941 -1.236) 2.978 12.331 ( 2.231 -1.518 1.384) 3.033 12.460 ( -2.112 2.157 -0.180) 3.024 12.525 ( -1.442 0.047 -3.069) 3.391 13.452 ( 6.899 -1.505 14.638) 16.252 13.539 ( 0.491 -1.053 -4.818) 4.956 13.714 ( 0.340 -0.564 -1.239) 1.403 13.728 ( 1.040 -0.696 0.478) 1.339 14.224 ( -5.622 -2.234 3.335) 6.908 14.425 ( 2.547 -5.526 1.219) 6.205 14.607 ( -2.235 0.207 -0.844) 2.398 14.678 ( 1.086 0.354 1.335) 1.757 22.318 ( 0.312 8.437 1.377) 8.554 22.359 ( 1.479 12.373 -3.021) 12.822 22.938 ( -0.039 -2.230 1.572) 2.729 22.971 ( 0.377 -1.294 -1.246) 1.836 23.306 ( -2.105 2.731 4.223) 5.452 23.432 ( -1.857 2.736 -6.944) 7.691 23.779 ( 0.496 0.796 -0.820) 1.246 23.805 ( 2.621 1.595 0.712) 3.150 23.996 ( -1.350 -2.684 2.475) 3.892 24.046 ( -0.877 -5.253 -1.861) 5.641 24.258 ( -1.998 1.773 1.082) 2.882 24.285 ( -1.968 2.834 0.875) 3.560 24.380 ( -0.025 0.301 -1.628) 1.656 24.429 ( -1.510 0.163 0.651) 1.653 24.464 ( 3.755 0.902 0.028) 3.862 24.552 ( 2.965 -0.212 -0.177) 2.978 24.848 ( 2.592 0.068 3.940) 4.716 24.880 ( 0.382 1.480 -3.420) 3.746 25.016 ( -2.775 -1.119 8.705) 9.205 25.287 ( 1.586 -3.259 -5.552) 6.630 25.605 ( -0.087 3.403 7.573) 8.303 25.726 ( 0.395 3.967 -7.948) 8.892 26.198 ( 9.337 -4.740 16.037) 19.153 26.309 ( 4.251 -0.373 -13.276) 13.945 27.246 ( -2.660 -1.363 0.113) 2.991 27.313 ( -1.049 0.313 -0.447) 1.182 27.343 ( -0.342 0.518 -0.664) 0.909 27.446 ( 3.803 -1.610 1.589) 4.425 27.739 ( -8.498 -5.536 -3.594) 10.760 27.820 ( 1.013 -1.728 7.484) 7.747 27.930 ( -1.461 0.383 -0.157) 1.519 28.034 ( 0.590 -2.502 -7.005) 7.462 ======================= Grid point 102 (52/64) ======================= q-point: (-0.17 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( 2.653 12.656 4.262) 13.615 1.088 ( -0.343 7.296 21.996) 23.177 1.231 ( 0.908 8.230 -3.198) 8.877 1.528 ( -5.492 15.077 -14.467) 21.604 1.632 ( 3.167 12.515 23.449) 26.768 1.883 ( -2.727 -0.365 2.207) 3.527 1.950 ( -2.891 -2.287 -1.033) 3.828 2.214 ( 9.473 1.980 -7.928) 12.510 2.269 ( 2.117 4.816 6.609) 8.447 2.278 ( 5.745 2.725 -2.131) 6.706 2.358 ( 3.963 2.340 0.521) 4.631 2.485 ( 0.268 2.795 3.536) 4.515 2.538 ( 1.713 0.038 3.782) 4.152 2.591 ( -0.367 0.974 6.851) 6.930 2.700 ( 2.890 1.131 7.499) 8.116 2.762 ( 3.275 -0.281 2.030) 3.864 2.823 ( -0.542 -0.527 -1.005) 1.258 2.893 ( 3.538 -1.829 -3.961) 5.617 2.944 ( 0.539 0.264 -0.687) 0.913 3.001 ( -0.539 2.948 -5.282) 6.073 3.057 ( -6.994 -2.036 -3.448) 8.059 3.073 ( -0.597 0.637 -0.953) 1.292 3.158 ( 0.608 -0.410 -1.095) 1.319 3.240 ( 1.274 -3.041 0.940) 3.429 3.279 ( -6.471 0.298 -0.216) 6.481 3.310 ( -4.725 2.695 -3.095) 6.259 3.365 ( -1.840 -1.212 -0.013) 2.203 3.423 ( -3.499 -1.649 -2.438) 4.572 3.486 ( 2.778 0.895 -0.369) 2.942 3.497 ( -1.762 -3.310 -1.479) 4.031 3.561 ( -0.551 0.595 -2.494) 2.623 3.627 ( -2.161 -2.812 -2.377) 4.269 3.670 ( -3.608 -5.130 -3.414) 7.141 3.793 ( -3.551 -0.893 -3.253) 4.898 3.834 ( -1.740 1.698 -0.181) 2.438 3.889 ( -0.449 -0.014 -2.494) 2.534 3.939 ( -2.741 -0.954 3.003) 4.176 3.956 ( 3.482 -0.956 -1.403) 3.874 4.000 ( -4.088 1.190 -3.812) 5.715 4.065 ( -3.393 0.112 -1.377) 3.664 4.161 ( 0.847 2.255 -1.490) 2.832 4.217 ( -0.976 -3.024 1.181) 3.390 4.291 ( -2.194 -1.987 2.414) 3.820 4.339 ( 1.138 0.094 -3.197) 3.394 4.414 ( 0.859 -0.649 -0.908) 1.408 4.445 ( -0.343 0.548 1.641) 1.764 4.465 ( 1.490 0.231 -1.198) 1.925 4.488 ( -0.976 -0.596 1.282) 1.718 4.584 ( 0.205 -0.446 5.835) 5.856 4.627 ( 2.521 0.364 -2.034) 3.260 4.730 ( -2.736 -2.183 1.787) 3.930 4.792 ( -0.560 0.974 -0.324) 1.169 4.804 ( -0.214 -4.424 -2.618) 5.145 4.860 ( 0.532 -2.351 0.555) 2.474 5.076 ( -1.028 -0.017 2.612) 2.807 5.092 ( -1.552 2.082 2.543) 3.635 5.147 ( -1.621 0.846 -3.323) 3.793 5.211 ( -3.034 -0.671 -4.461) 5.436 5.368 ( 0.269 -1.988 1.727) 2.647 5.419 ( -0.309 -3.985 -2.073) 4.503 5.545 ( -0.579 1.522 6.416) 6.619 5.657 ( 1.753 4.424 -5.390) 7.190 5.836 ( 12.321 -1.151 7.764) 14.609 5.983 ( 4.341 0.232 5.637) 7.118 6.251 ( 0.939 0.737 0.945) 1.523 6.308 ( 0.237 2.024 -2.747) 3.420 6.639 ( 0.761 1.763 7.657) 7.894 6.698 ( 2.046 0.749 -2.803) 3.550 6.734 ( 1.268 2.220 4.508) 5.183 6.804 ( 0.785 3.718 -5.809) 6.942 7.006 ( 2.740 -2.244 -0.913) 3.657 7.052 ( 2.230 -0.111 -0.855) 2.391 8.694 ( 3.645 -0.592 0.512) 3.728 8.769 ( 2.438 2.213 -0.372) 3.314 8.998 ( 1.132 -3.710 -0.007) 3.879 9.064 ( -0.749 0.119 0.053) 0.760 9.134 ( 0.976 1.333 1.652) 2.336 9.206 ( 1.888 0.108 -2.197) 2.899 9.350 ( -1.484 0.164 1.309) 1.986 9.404 ( -1.449 -0.279 -0.811) 1.684 10.061 ( 0.751 0.913 -0.578) 1.316 10.082 ( 0.519 1.692 1.125) 2.097 10.149 ( -1.108 0.044 0.485) 1.211 10.241 ( -0.854 -3.181 -2.024) 3.866 10.428 ( 3.012 -0.537 1.159) 3.272 10.473 ( 2.043 -0.604 -0.463) 2.180 10.518 ( 0.540 0.233 -0.607) 0.845 10.616 ( -0.400 -4.925 -0.967) 5.035 10.790 ( 1.898 2.233 -1.539) 3.310 10.802 ( -0.481 3.197 1.387) 3.518 10.867 ( 0.369 2.474 2.782) 3.741 10.956 ( -0.237 4.059 -3.324) 5.252 11.032 ( 1.149 -1.088 0.610) 1.696 11.204 ( 0.187 5.065 -1.473) 5.278 11.333 ( -0.924 1.175 -0.272) 1.520 11.428 ( -1.372 5.184 -5.394) 7.606 11.632 ( -4.495 0.176 1.185) 4.651 11.669 ( -4.362 -1.085 -2.312) 5.055 11.949 ( -0.946 -3.084 1.426) 3.527 12.001 ( -1.102 -1.754 0.189) 2.080 12.249 ( -0.404 -1.204 -0.449) 1.347 12.361 ( -0.685 1.910 -1.310) 2.415 12.399 ( -2.461 -1.807 -2.503) 3.948 12.470 ( -3.267 0.527 0.151) 3.312 13.562 ( 2.286 -1.675 0.476) 2.874 13.645 ( 6.290 -4.926 5.717) 9.824 13.735 ( 3.504 -1.544 1.682) 4.182 13.789 ( 7.097 -1.946 4.288) 8.517 14.148 ( -1.016 -0.837 5.366) 5.525 14.442 ( -0.862 -6.234 0.483) 6.312 14.575 ( -0.748 -0.212 -0.884) 1.177 14.668 ( -2.538 -1.132 0.823) 2.899 22.327 ( 0.385 9.099 1.992) 9.323 22.393 ( 2.072 14.576 -5.674) 15.778 22.939 ( 0.110 -2.483 1.701) 3.012 22.977 ( 0.194 -1.721 -1.236) 2.128 23.274 ( -0.885 4.345 2.393) 5.039 23.376 ( -3.478 4.591 -4.853) 7.531 23.802 ( 1.742 0.690 0.109) 1.877 23.850 ( 1.689 1.744 -0.538) 2.487 23.971 ( -1.183 -2.538 2.600) 3.821 24.023 ( -1.397 -5.177 -1.613) 5.599 24.229 ( -0.681 1.595 0.111) 1.738 24.250 ( -1.685 2.449 1.001) 3.136 24.386 ( 0.611 -0.049 -1.651) 1.761 24.402 ( -1.306 -0.494 0.276) 1.423 24.537 ( 3.537 0.784 0.752) 3.700 24.595 ( 1.266 0.103 0.423) 1.339 24.886 ( 1.043 0.465 -1.025) 1.534 24.893 ( -0.070 0.043 0.861) 0.865 25.006 ( 2.636 -1.105 7.376) 7.911 25.276 ( -2.546 -3.332 -4.398) 6.077 25.600 ( -0.674 3.176 7.737) 8.391 25.737 ( 0.875 3.812 -8.602) 9.450 26.361 ( 9.543 -6.663 0.779) 11.665 26.517 ( 13.730 -4.506 2.150) 14.610 27.187 ( -3.577 -2.153 -0.594) 4.217 27.269 ( -3.594 0.775 -1.329) 3.910 27.351 ( 0.799 0.922 -2.054) 2.389 27.471 ( -8.813 -7.115 -2.214) 11.541 27.576 ( 0.975 1.937 1.161) 2.460 27.799 ( -3.750 -0.594 5.724) 6.868 27.921 ( 0.246 -0.409 3.821) 3.851 28.040 ( 0.426 -2.514 -6.705) 7.173 ======================= Grid point 103 (53/64) ======================= q-point: ( 0.00 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( -3.906 13.874 14.841) 20.688 1.454 ( 3.597 8.284 -10.028) 13.495 1.518 ( 7.438 17.956 11.905) 22.792 1.730 ( -2.992 9.310 -7.809) 12.514 1.841 ( 3.737 0.108 1.154) 3.913 1.869 ( -2.217 1.972 -1.605) 3.373 2.097 ( 1.894 17.706 14.741) 23.117 2.282 ( -2.242 4.305 -2.631) 5.520 2.341 ( 3.237 -2.418 5.752) 7.029 2.393 ( 0.136 -2.855 0.020) 2.859 2.451 ( 0.243 2.265 3.792) 4.423 2.502 ( 1.558 2.283 -1.078) 2.967 2.636 ( 1.459 0.807 5.556) 5.801 2.647 ( -0.279 -0.075 -0.202) 0.352 2.709 ( 1.316 -4.605 -0.734) 4.845 2.795 ( -0.015 0.589 0.427) 0.727 2.809 ( 3.002 3.873 2.778) 5.633 2.871 ( -2.705 -2.006 -3.219) 4.659 2.921 ( -1.902 -2.467 -1.882) 3.639 2.960 ( -0.751 -0.946 -1.692) 2.078 3.046 ( -2.129 -0.197 -1.068) 2.390 3.057 ( -0.696 4.280 -1.225) 4.506 3.150 ( 1.599 0.929 1.914) 2.661 3.159 ( -0.514 0.224 0.469) 0.731 3.266 ( -0.979 -0.117 -3.982) 4.102 3.294 ( 3.578 -1.299 -0.441) 3.832 3.319 ( -4.108 -0.264 1.060) 4.250 3.351 ( -0.662 -0.052 -5.470) 5.510 3.419 ( -0.032 -2.010 -0.864) 2.188 3.429 ( -3.792 -1.821 -0.911) 4.305 3.528 ( -3.931 -0.125 1.499) 4.209 3.597 ( 3.062 -0.691 -5.385) 6.234 3.663 ( 0.240 -0.829 -0.085) 0.867 3.691 ( -0.837 -0.510 -1.404) 1.712 3.793 ( -2.027 -3.453 3.369) 5.233 3.865 ( 0.876 -1.680 -2.627) 3.239 3.917 ( 0.630 1.838 2.036) 2.814 3.948 ( -1.204 -2.263 0.862) 2.704 4.022 ( 2.091 1.582 -1.216) 2.890 4.078 ( -0.566 4.990 -5.553) 7.487 4.142 ( -0.735 -1.745 0.733) 2.030 4.199 ( 2.726 -2.177 -4.410) 5.623 4.241 ( 1.101 0.055 3.939) 4.090 4.311 ( -1.769 0.657 -1.933) 2.701 4.398 ( 0.608 -1.534 0.594) 1.753 4.424 ( 0.053 -0.774 -1.794) 1.955 4.459 ( -3.610 0.713 1.804) 4.098 4.522 ( 2.478 -0.668 -4.904) 5.535 4.578 ( -2.118 -2.618 1.166) 3.564 4.587 ( -0.110 -1.552 0.841) 1.769 4.689 ( 2.241 -0.777 3.270) 4.039 4.729 ( -0.871 -2.298 -0.670) 2.547 4.814 ( 1.491 -0.763 0.330) 1.707 4.838 ( -0.895 -0.837 -1.772) 2.155 5.063 ( 0.356 -0.686 1.057) 1.309 5.085 ( -0.487 -1.857 -0.686) 2.039 5.159 ( -0.651 3.257 0.738) 3.402 5.205 ( 0.181 2.578 -2.755) 3.777 5.317 ( -0.484 -2.134 0.711) 2.300 5.351 ( 0.517 -1.881 -2.436) 3.121 5.594 ( 0.658 2.353 9.407) 9.719 5.742 ( -0.665 3.737 -6.394) 7.436 5.930 ( 3.225 -5.338 6.501) 9.008 5.988 ( -0.620 -3.275 -0.331) 3.350 6.297 ( -0.143 2.585 2.833) 3.838 6.354 ( 0.255 2.228 -3.278) 3.972 6.656 ( -1.204 0.529 6.343) 6.478 6.741 ( 1.582 -0.663 -1.429) 2.233 6.801 ( -0.406 3.068 2.722) 4.122 6.883 ( 0.188 2.827 -4.544) 5.355 6.995 ( -0.492 -1.398 3.316) 3.632 7.058 ( 0.489 -1.259 -2.980) 3.272 8.762 ( 2.027 0.548 0.505) 2.160 8.773 ( -1.809 0.657 -0.778) 2.076 8.978 ( -0.919 -3.287 1.491) 3.724 9.008 ( 0.633 -3.682 -1.700) 4.105 9.184 ( 1.402 1.449 2.483) 3.199 9.221 ( -0.976 0.620 -1.561) 1.943 9.376 ( -1.786 1.307 0.136) 2.217 9.384 ( 1.987 1.797 -0.574) 2.740 10.092 ( 0.598 0.962 0.148) 1.142 10.097 ( -1.215 0.846 -0.344) 1.520 10.148 ( 0.730 0.028 1.203) 1.407 10.172 ( -0.546 -0.236 -1.262) 1.395 10.466 ( 0.082 -1.464 2.967) 3.309 10.492 ( -0.064 -1.479 0.215) 1.495 10.496 ( 0.158 -1.171 -0.454) 1.266 10.523 ( -0.601 -2.133 -2.888) 3.640 10.795 ( -2.059 1.635 3.108) 4.071 10.863 ( 2.831 0.753 -4.294) 5.198 10.967 ( 0.668 3.395 2.051) 4.023 11.005 ( -0.869 1.468 -1.967) 2.603 11.158 ( 4.606 4.744 1.478) 6.775 11.197 ( -5.644 4.317 -2.474) 7.524 11.456 ( 2.839 7.198 1.826) 7.950 11.503 ( -3.530 5.855 -3.340) 7.608 11.566 ( -1.767 -1.512 0.572) 2.395 11.591 ( 1.726 -1.602 -1.721) 2.917 11.884 ( 1.152 -4.739 2.464) 5.464 11.915 ( -1.102 -4.684 -0.754) 4.871 12.258 ( 1.516 0.565 1.774) 2.401 12.297 ( -3.600 0.116 -2.239) 4.241 12.413 ( 0.696 0.228 0.739) 1.040 12.428 ( -0.090 -0.063 -0.762) 0.770 13.555 ( 0.548 -2.952 3.932) 4.948 13.600 ( 0.644 -3.129 -1.118) 3.384 13.763 ( 1.870 -3.038 2.195) 4.189 13.796 ( 0.856 -2.793 -1.164) 3.145 14.161 ( 2.988 -2.770 6.718) 7.857 14.258 ( -2.861 -5.614 -3.584) 7.249 14.580 ( 1.868 -0.800 -0.136) 2.037 14.587 ( -2.040 -0.933 -0.900) 2.418 22.548 ( -0.138 11.519 5.771) 12.885 22.690 ( 0.298 11.176 -9.759) 14.840 22.893 ( -0.131 -2.293 2.520) 3.409 22.943 ( 0.163 -1.423 -2.994) 3.319 23.394 ( -0.203 4.970 -1.283) 5.137 23.424 ( 0.156 4.377 -3.595) 5.666 23.843 ( 1.846 -2.203 0.868) 3.002 23.865 ( -2.130 -1.396 -1.446) 2.928 23.925 ( 0.497 0.851 0.635) 1.172 23.942 ( 0.271 0.248 -1.371) 1.419 24.249 ( -0.513 0.304 1.055) 1.212 24.263 ( 1.329 0.455 -0.510) 1.494 24.370 ( -0.915 -0.191 0.475) 1.049 24.389 ( 0.220 -0.516 -1.380) 1.490 24.591 ( 0.320 0.283 1.106) 1.185 24.604 ( -0.327 0.202 -0.253) 0.460 24.865 ( -1.404 0.897 4.677) 4.965 24.935 ( 1.024 1.505 -2.284) 2.921 25.037 ( 3.339 -3.423 5.303) 7.141 25.140 ( -3.069 -3.757 -5.371) 7.237 25.662 ( -0.944 4.349 9.098) 10.128 25.809 ( -1.030 2.930 -5.599) 6.403 26.274 ( -2.729 -6.884 13.943) 15.788 26.507 ( 2.244 -8.314 -11.362) 14.257 27.157 ( 2.780 -0.049 0.078) 2.781 27.165 ( -3.339 -0.243 -0.671) 3.414 27.350 ( -1.099 0.941 2.405) 2.806 27.390 ( 1.315 0.084 -1.605) 2.077 27.697 ( 5.728 0.989 2.343) 6.268 27.718 ( -4.242 1.977 -0.085) 4.681 27.886 ( 0.030 -3.270 3.441) 4.747 27.972 ( -0.193 -4.450 -5.334) 6.950 ======================= Grid point 104 (54/64) ======================= q-point: ( 0.17 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( -5.021 15.531 10.508) 19.412 1.494 ( 1.398 5.760 -9.960) 11.590 1.628 ( 3.898 16.415 4.721) 17.519 1.716 ( 0.075 9.111 -5.596) 10.693 1.827 ( -2.055 2.052 -2.917) 4.116 1.895 ( 1.435 -0.997 -1.897) 2.579 2.134 ( -1.051 11.079 9.230) 14.458 2.226 ( -6.507 5.371 -1.571) 8.582 2.261 ( -1.436 4.895 0.897) 5.180 2.414 ( -0.804 -0.127 -4.014) 4.095 2.427 ( -3.230 2.752 1.172) 4.402 2.522 ( -0.626 -4.267 3.217) 5.380 2.596 ( -0.727 -0.237 2.187) 2.317 2.663 ( -0.590 -0.177 -0.390) 0.729 2.746 ( -2.971 4.837 -0.404) 5.691 2.762 ( 1.870 -0.944 -0.199) 2.104 2.825 ( -1.619 -0.735 -1.026) 2.053 2.875 ( -0.459 -2.436 -2.206) 3.319 2.946 ( 3.717 -1.439 6.019) 7.220 2.973 ( 3.887 -0.237 -0.086) 3.895 3.024 ( -2.172 6.859 -0.892) 7.250 3.044 ( 1.149 -0.312 0.196) 1.206 3.124 ( 1.004 -0.117 0.219) 1.034 3.220 ( 1.016 -1.404 1.846) 2.532 3.236 ( -2.512 -0.799 0.233) 2.647 3.264 ( -0.518 -0.494 1.478) 1.642 3.303 ( 0.240 -1.327 -3.577) 3.823 3.387 ( 2.040 0.702 1.496) 2.626 3.439 ( 1.674 -2.201 3.420) 4.399 3.456 ( 3.832 1.102 -0.522) 4.021 3.482 ( 3.310 -3.509 0.266) 4.831 3.652 ( 0.628 -0.939 0.457) 1.218 3.670 ( 3.021 0.833 -3.844) 4.960 3.701 ( 0.632 -1.558 0.658) 1.805 3.793 ( 1.774 -3.569 1.741) 4.349 3.877 ( 0.975 1.033 2.414) 2.801 3.920 ( 0.351 0.210 -0.104) 0.422 3.991 ( 4.554 0.361 -2.903) 5.412 4.034 ( -2.424 1.036 -2.771) 3.824 4.069 ( 1.802 1.738 -2.179) 3.319 4.130 ( -0.488 -1.731 0.555) 1.882 4.233 ( 1.759 -0.635 -3.383) 3.865 4.263 ( -0.835 -1.218 -0.364) 1.521 4.323 ( 0.582 2.921 1.210) 3.215 4.386 ( -0.763 -1.951 1.267) 2.448 4.406 ( -0.830 -0.802 -0.550) 1.279 4.438 ( 2.381 -0.800 0.284) 2.528 4.548 ( -0.620 0.946 -1.873) 2.188 4.558 ( 0.957 -1.210 1.411) 2.090 4.601 ( 0.730 -2.548 2.233) 3.466 4.691 ( -1.463 -3.056 -1.705) 3.793 4.719 ( -0.235 -0.634 1.998) 2.110 4.806 ( -0.530 0.899 -1.508) 1.834 4.869 ( 2.374 -2.230 -1.107) 3.440 5.065 ( -0.053 -1.104 0.804) 1.367 5.102 ( 1.779 -3.376 -0.273) 3.826 5.151 ( 0.061 3.349 1.145) 3.540 5.217 ( 0.994 2.967 -2.758) 4.171 5.321 ( 0.902 -2.245 0.622) 2.498 5.357 ( -0.034 -2.087 -1.682) 2.681 5.600 ( -0.492 3.322 7.889) 8.574 5.719 ( -1.197 3.108 -4.006) 5.210 5.890 ( -5.160 -0.984 -1.589) 5.488 5.968 ( -3.390 -7.413 0.535) 8.169 6.280 ( -1.461 2.220 2.131) 3.406 6.347 ( -0.919 1.560 -2.738) 3.282 6.627 ( -1.940 1.267 5.202) 5.695 6.758 ( 0.187 0.057 1.064) 1.082 6.786 ( -1.189 2.289 -0.151) 2.583 6.881 ( -0.254 1.998 -2.584) 3.276 6.950 ( -3.260 0.730 1.068) 3.508 7.053 ( -1.244 -1.147 -2.091) 2.690 8.714 ( -2.848 1.163 -0.799) 3.178 8.801 ( -0.260 1.904 0.265) 1.940 8.912 ( -3.056 -4.391 0.266) 5.357 9.016 ( -1.297 -3.594 0.256) 3.830 9.180 ( -1.706 0.039 -0.665) 1.832 9.187 ( -1.802 0.315 0.804) 1.998 9.380 ( 1.955 2.084 -0.145) 2.861 9.429 ( 2.145 1.692 -0.691) 2.818 10.080 ( -0.417 1.630 -0.254) 1.701 10.108 ( 0.565 0.582 0.905) 1.215 10.154 ( 0.371 0.295 0.172) 0.504 10.189 ( 1.573 -0.524 -0.625) 1.772 10.420 ( -3.278 -0.460 1.306) 3.559 10.462 ( -1.424 -0.535 -0.190) 1.534 10.511 ( -0.699 -2.036 -1.376) 2.555 10.528 ( 1.122 -1.941 0.513) 2.300 10.784 ( 0.440 1.981 2.107) 2.925 10.905 ( 0.260 0.728 -3.082) 3.177 10.936 ( -3.162 1.830 0.413) 3.677 10.974 ( -1.937 0.252 -0.619) 2.049 11.108 ( -1.988 7.315 -0.489) 7.596 11.234 ( 3.087 3.818 0.533) 4.939 11.439 ( -2.366 5.010 -2.216) 5.967 11.470 ( -1.077 5.924 3.173) 6.806 11.627 ( 5.619 -1.153 -0.486) 5.757 11.650 ( 4.512 -0.601 -1.251) 4.721 11.886 ( -0.113 -4.526 0.182) 4.531 11.923 ( 1.137 -5.062 1.409) 5.376 12.239 ( -1.372 0.124 -0.044) 1.378 12.307 ( 1.763 -1.361 3.135) 3.846 12.392 ( -0.005 1.928 -0.711) 2.056 12.483 ( 3.318 0.042 0.076) 3.319 13.526 ( -3.121 -2.100 0.981) 3.888 13.612 ( 0.121 -3.376 -0.680) 3.445 13.747 ( -2.296 -1.435 -1.748) 3.222 13.790 ( -1.925 -3.129 -3.198) 4.871 14.175 ( -0.657 -3.104 0.918) 3.303 14.257 ( 1.616 -6.196 2.394) 6.837 14.577 ( 1.295 0.251 -0.509) 1.414 14.636 ( 3.174 -1.767 0.152) 3.636 22.538 ( -1.014 11.315 5.102) 12.453 22.664 ( -2.231 12.290 -8.396) 15.050 22.892 ( -0.115 -2.764 2.304) 3.600 22.943 ( 0.038 -1.487 -2.844) 3.209 23.373 ( -0.659 4.590 0.625) 4.679 23.449 ( 1.413 2.717 -4.412) 5.370 23.813 ( -2.292 0.417 -0.645) 2.417 23.875 ( 0.580 -3.329 0.566) 3.426 23.929 ( -0.132 1.685 -0.542) 1.775 23.957 ( 1.133 -1.708 -1.480) 2.528 24.260 ( 1.901 0.927 -0.081) 2.116 24.300 ( 2.275 0.810 -0.769) 2.535 24.359 ( -0.326 0.187 1.135) 1.196 24.398 ( 0.861 -1.118 -0.588) 1.529 24.558 ( -2.984 0.746 0.072) 3.077 24.588 ( -1.927 -0.273 0.549) 2.023 24.846 ( -0.884 2.190 5.350) 5.848 24.946 ( 0.017 1.212 -2.652) 2.916 25.083 ( 0.676 -4.677 6.983) 8.432 25.101 ( -0.152 -2.769 -6.183) 6.777 25.649 ( -0.774 4.271 9.387) 10.342 25.790 ( -0.520 1.902 -0.993) 2.208 26.146 ( -8.578 0.989 9.643) 12.944 26.501 ( -3.040 -8.932 -10.023) 13.766 27.153 ( 2.117 -0.103 0.452) 2.167 27.232 ( 4.021 -1.821 0.349) 4.427 27.340 ( -0.234 1.369 1.528) 2.065 27.407 ( 0.267 -1.568 -0.678) 1.729 27.658 ( -1.401 4.065 -1.462) 4.541 27.813 ( 5.496 -2.289 1.720) 6.197 27.883 ( -0.550 -3.234 2.176) 3.936 27.963 ( -0.322 -4.410 -5.157) 6.793 ======================= Grid point 105 (55/64) ======================= q-point: ( 0.33 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( -0.652 12.939 6.165) 14.347 1.466 ( -5.135 5.004 -16.510) 18.000 1.684 ( -2.156 12.475 9.549) 15.857 1.698 ( 3.042 8.311 -10.872) 14.019 1.798 ( -0.320 -2.599 -1.603) 3.070 1.896 ( -1.134 -2.220 -1.611) 2.968 2.012 ( -6.431 10.615 0.148) 12.412 2.203 ( 2.137 8.845 -1.500) 9.223 2.230 ( -4.809 6.928 -0.295) 8.439 2.329 ( -4.659 3.319 1.779) 5.991 2.403 ( 0.434 0.878 3.966) 4.085 2.527 ( -1.614 1.311 -4.865) 5.291 2.571 ( -6.318 -1.495 -0.300) 6.499 2.608 ( 3.516 -2.257 5.307) 6.755 2.704 ( -4.272 3.060 -1.901) 5.588 2.764 ( -0.323 1.925 5.338) 5.684 2.832 ( 1.691 -1.551 -1.187) 2.584 2.886 ( 2.321 -0.645 -4.082) 4.739 2.953 ( -2.361 2.608 3.888) 5.243 2.991 ( 2.373 1.458 -2.007) 3.433 3.051 ( -0.689 -1.020 0.636) 1.386 3.083 ( 1.118 -2.611 -0.725) 2.931 3.159 ( 1.401 -0.659 0.246) 1.567 3.179 ( -1.136 2.372 -2.890) 3.908 3.253 ( 1.708 -0.648 7.705) 7.919 3.301 ( 3.415 0.033 2.681) 4.341 3.339 ( 4.142 -1.497 5.791) 7.275 3.415 ( 1.103 -0.956 0.905) 1.717 3.444 ( 1.198 1.082 -0.384) 1.660 3.509 ( 0.865 -4.045 1.456) 4.386 3.612 ( 5.383 2.440 -3.094) 6.671 3.672 ( -0.273 1.498 -1.217) 1.949 3.692 ( 0.545 -1.668 -0.823) 1.938 3.751 ( 5.701 -3.610 0.663) 6.780 3.867 ( -1.653 2.712 0.542) 3.222 3.877 ( 5.564 -1.568 2.857) 6.448 3.940 ( 0.311 0.027 -1.826) 1.853 4.025 ( 2.649 -1.848 -1.073) 3.404 4.056 ( 2.246 2.562 -1.654) 3.788 4.099 ( 0.602 -1.039 -1.704) 2.084 4.126 ( 1.034 -2.758 3.477) 4.557 4.209 ( -4.515 -0.999 -0.766) 4.687 4.268 ( 1.310 -0.006 1.810) 2.234 4.304 ( 0.685 0.541 -1.302) 1.568 4.387 ( -0.774 -1.863 1.540) 2.538 4.423 ( 1.684 -2.115 0.289) 2.719 4.479 ( -0.185 0.622 0.427) 0.777 4.539 ( 0.080 2.820 -0.330) 2.840 4.578 ( 1.872 1.581 1.267) 2.758 4.604 ( -0.759 -1.718 -1.086) 2.169 4.668 ( -0.847 -0.865 0.104) 1.215 4.717 ( 0.507 -3.304 0.197) 3.349 4.810 ( 0.606 0.507 0.590) 0.986 4.896 ( 0.432 -2.825 -3.358) 4.409 5.065 ( 0.159 -1.690 1.518) 2.277 5.130 ( 1.053 -3.757 -0.022) 3.902 5.169 ( 1.397 2.115 0.007) 2.535 5.236 ( 1.032 2.547 -2.551) 3.750 5.342 ( 0.571 -1.548 -0.293) 1.676 5.349 ( -0.170 -2.603 0.175) 2.615 5.588 ( -1.055 3.583 7.097) 8.020 5.698 ( -1.001 1.834 -0.207) 2.100 5.790 ( -4.311 0.435 -6.404) 7.732 5.857 ( -7.063 -5.399 -2.243) 9.169 6.257 ( -0.760 1.440 1.370) 2.128 6.317 ( -1.987 0.644 -1.849) 2.790 6.601 ( -0.713 2.236 4.505) 5.080 6.738 ( -2.803 -0.824 -3.966) 4.926 6.766 ( -0.213 4.246 5.505) 6.955 6.874 ( -0.196 1.284 -0.730) 1.490 6.910 ( -0.672 2.083 -1.024) 2.417 7.016 ( -2.140 -1.007 -2.837) 3.694 8.673 ( -1.106 1.826 -0.827) 2.290 8.738 ( -4.678 2.592 0.408) 5.363 8.908 ( 1.474 -5.231 -0.358) 5.447 8.974 ( -2.545 -4.084 0.766) 4.873 9.147 ( -1.047 -0.038 -0.632) 1.224 9.161 ( -1.328 -0.897 0.815) 1.798 9.421 ( 1.912 2.280 -0.020) 2.976 9.454 ( 0.552 2.213 -0.694) 2.384 10.080 ( 0.439 2.193 -0.528) 2.298 10.106 ( -0.778 0.886 0.690) 1.366 10.168 ( 0.962 0.249 0.429) 1.083 10.208 ( 0.396 -0.261 -0.921) 1.036 10.383 ( -0.685 -0.686 0.581) 1.131 10.431 ( -2.021 -1.546 -0.743) 2.651 10.503 ( 0.690 -0.841 0.091) 1.092 10.543 ( 0.206 -0.574 0.192) 0.640 10.792 ( 0.074 2.320 0.842) 2.469 10.862 ( -3.460 2.342 -0.183) 4.182 10.890 ( -0.300 -0.160 -0.141) 0.368 10.949 ( -1.420 0.022 -0.821) 1.640 11.120 ( 2.371 5.187 1.864) 6.000 11.263 ( -0.589 3.481 -1.394) 3.796 11.413 ( 0.560 4.465 -0.399) 4.517 11.456 ( -1.008 5.345 0.786) 5.495 11.708 ( 3.379 -2.503 -0.962) 4.314 11.737 ( 3.145 0.446 -0.739) 3.261 11.900 ( 1.524 -4.520 0.351) 4.783 11.938 ( 0.202 -4.887 1.619) 5.152 12.232 ( 0.438 -0.421 0.725) 0.946 12.307 ( -1.414 -2.859 0.455) 3.222 12.435 ( 3.711 3.138 2.867) 5.642 12.536 ( 2.042 0.366 -0.063) 2.075 13.460 ( -3.520 -0.385 1.435) 3.821 13.588 ( -2.500 -3.676 -3.582) 5.709 13.702 ( -1.950 -0.732 -3.712) 4.256 13.742 ( -2.135 -1.444 -3.216) 4.122 14.195 ( 2.497 -3.079 1.362) 4.192 14.266 ( -0.715 -6.065 3.302) 6.943 14.619 ( 2.608 0.963 -0.025) 2.780 14.676 ( 0.723 -1.026 0.118) 1.261 22.521 ( -0.894 11.178 4.047) 11.922 22.616 ( -2.010 12.843 -6.154) 14.382 22.890 ( -0.190 -2.793 2.302) 3.624 22.941 ( -0.129 -1.773 -2.740) 3.266 23.376 ( 0.531 3.140 2.895) 4.304 23.464 ( 0.617 1.031 -5.317) 5.451 23.785 ( -0.566 1.390 0.259) 1.523 23.858 ( -2.068 -0.258 -1.024) 2.322 23.933 ( 0.674 -1.543 0.457) 1.745 23.973 ( 0.508 -2.947 -1.776) 3.478 24.310 ( 2.818 1.398 -0.590) 3.200 24.335 ( 0.834 1.366 0.724) 1.756 24.365 ( 1.452 0.730 0.226) 1.640 24.422 ( 1.540 -1.312 0.272) 2.041 24.495 ( -3.397 1.240 -0.491) 3.650 24.537 ( -3.156 -0.274 0.352) 3.187 24.836 ( -0.439 2.591 5.841) 6.405 24.935 ( -0.673 1.973 -3.308) 3.910 25.072 ( -2.016 -3.970 9.147) 10.173 25.123 ( 2.516 -2.965 -6.942) 7.957 25.649 ( 0.400 4.163 9.110) 10.024 25.795 ( 0.998 1.643 0.435) 1.971 26.026 ( -3.963 3.966 7.712) 9.535 26.396 ( -6.390 -6.459 -12.861) 15.746 27.217 ( 3.818 -0.932 0.821) 4.015 27.296 ( 2.622 -1.706 0.962) 3.273 27.333 ( -0.687 0.435 0.382) 0.898 27.393 ( -1.555 -2.331 0.644) 2.876 27.674 ( 2.749 3.190 0.588) 4.252 27.849 ( -2.101 -2.665 4.226) 5.420 27.898 ( 2.182 -4.126 -3.765) 5.997 27.958 ( 0.143 -3.787 -4.395) 5.803 ======================= Grid point 106 (56/64) ======================= q-point: (-0.50 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( 3.308 9.327 7.452) 12.388 1.317 ( -7.446 8.797 -16.837) 20.404 1.590 ( -6.725 9.829 9.772) 15.405 1.779 ( -0.516 0.260 -5.756) 5.785 1.805 ( 3.316 0.449 -2.510) 4.183 1.853 ( 1.469 -4.362 -4.001) 6.099 2.011 ( 3.685 13.184 4.242) 14.331 2.109 ( -5.488 8.251 -5.536) 11.351 2.233 ( -1.931 8.406 4.047) 9.528 2.297 ( 3.938 7.861 -2.844) 9.241 2.406 ( -1.352 0.684 5.904) 6.095 2.492 ( -1.269 -2.447 -1.669) 3.222 2.533 ( 3.928 2.833 2.509) 5.455 2.583 ( -6.170 2.586 -0.559) 6.713 2.704 ( 2.827 -1.784 4.716) 5.781 2.744 ( -2.162 -0.430 2.136) 3.069 2.839 ( -0.090 -0.822 1.551) 1.758 2.903 ( -3.175 2.250 -5.581) 6.804 2.931 ( -0.734 0.843 4.939) 5.064 2.987 ( -0.449 -1.045 2.405) 2.660 3.067 ( 3.876 -0.965 -3.184) 5.108 3.085 ( -1.148 -0.974 -3.077) 3.425 3.165 ( 2.287 0.436 -0.358) 2.355 3.186 ( -0.925 3.277 -2.818) 4.420 3.307 ( 3.075 -0.047 5.104) 5.959 3.353 ( 1.541 -1.524 -0.474) 2.219 3.408 ( 0.334 -3.361 4.027) 5.256 3.442 ( 2.838 1.138 3.152) 4.391 3.464 ( 1.082 0.264 0.515) 1.227 3.544 ( 2.917 -2.941 2.665) 4.926 3.591 ( -4.172 1.258 -6.244) 7.614 3.641 ( -3.598 0.388 -2.356) 4.318 3.766 ( 5.126 -1.520 2.904) 6.084 3.778 ( -3.131 2.085 0.083) 3.763 3.875 ( 3.663 -0.147 -2.409) 4.387 3.902 ( -3.952 -1.782 -3.307) 5.453 3.974 ( 1.448 1.309 5.327) 5.673 4.047 ( -1.353 -0.048 0.312) 1.389 4.102 ( 0.897 -1.586 -1.322) 2.251 4.119 ( -1.461 -0.584 0.598) 1.683 4.130 ( -0.020 -2.540 -2.340) 3.453 4.161 ( 3.193 -1.742 -1.796) 4.057 4.281 ( 0.131 -3.007 2.809) 4.117 4.329 ( 1.471 0.399 -0.793) 1.718 4.392 ( 1.422 -0.793 3.238) 3.625 4.426 ( -1.475 -1.927 -1.439) 2.821 4.471 ( 0.499 2.142 3.389) 4.041 4.545 ( 0.040 2.495 1.891) 3.131 4.558 ( -2.114 -0.308 -2.498) 3.286 4.616 ( 0.745 1.452 -2.321) 2.837 4.674 ( 0.832 0.000 1.420) 1.645 4.715 ( -0.995 -3.468 -1.553) 3.928 4.821 ( 0.446 -0.244 1.957) 2.022 4.886 ( -1.049 -1.589 -4.000) 4.430 5.080 ( 0.908 -3.369 2.548) 4.321 5.145 ( 0.679 -4.244 -2.211) 4.834 5.187 ( 0.321 2.571 0.616) 2.663 5.243 ( -0.401 1.727 -3.522) 3.943 5.336 ( -0.114 -0.639 0.814) 1.041 5.361 ( 0.723 -2.902 -0.692) 3.070 5.564 ( -1.856 2.492 9.286) 9.792 5.650 ( -4.583 -0.791 7.746) 9.034 5.749 ( 0.077 0.684 -9.652) 9.677 5.788 ( 2.113 -0.237 -5.985) 6.351 6.253 ( -0.306 1.161 1.890) 2.239 6.290 ( 0.229 0.335 -2.144) 2.182 6.607 ( 0.887 2.220 5.022) 5.562 6.686 ( -1.698 0.682 -3.519) 3.967 6.771 ( 0.298 4.219 5.844) 7.214 6.874 ( 0.162 2.354 -3.610) 4.313 6.915 ( 0.978 0.316 1.594) 1.896 6.983 ( -0.769 -1.097 -4.163) 4.374 8.664 ( -1.652 1.947 1.074) 2.770 8.686 ( 1.499 2.293 -1.257) 3.014 8.919 ( -1.269 -4.527 1.795) 5.032 8.958 ( 1.822 -4.960 -2.421) 5.812 9.136 ( -0.982 -0.623 1.064) 1.576 9.145 ( 0.443 -0.635 0.051) 0.776 9.444 ( 0.449 2.064 0.298) 2.133 9.452 ( -0.728 2.734 -0.464) 2.867 10.087 ( -0.623 1.587 0.198) 1.716 10.095 ( 0.862 2.102 -0.803) 2.410 10.186 ( 0.778 -0.449 0.744) 1.166 10.204 ( -0.724 0.278 -1.145) 1.383 10.387 ( 0.368 -1.717 0.649) 1.872 10.395 ( -0.785 -1.326 -0.297) 1.569 10.529 ( 0.195 -0.318 0.144) 0.400 10.536 ( 0.512 0.448 -0.844) 1.084 10.807 ( 1.711 2.033 0.144) 2.661 10.808 ( -1.629 1.947 -0.007) 2.539 10.908 ( 0.235 -0.167 0.537) 0.610 10.919 ( -0.381 0.138 -0.582) 0.709 11.164 ( 0.639 4.071 4.216) 5.896 11.229 ( -1.010 3.426 -2.235) 4.213 11.432 ( -1.442 4.816 -0.323) 5.037 11.451 ( 2.818 4.275 -2.285) 5.607 11.750 ( 0.577 -1.768 -0.512) 1.929 11.753 ( -0.771 -1.058 -0.960) 1.624 11.926 ( -0.722 -4.394 1.485) 4.694 11.935 ( 0.920 -4.292 0.401) 4.408 12.251 ( 1.275 -1.188 1.543) 2.328 12.276 ( -1.380 -1.856 -0.912) 2.486 12.499 ( 2.248 2.036 3.416) 4.568 12.552 ( -0.361 0.613 -1.755) 1.894 13.412 ( -1.225 0.870 5.166) 5.380 13.534 ( -2.267 -2.056 -5.948) 6.689 13.687 ( 0.434 -1.154 -1.138) 1.678 13.709 ( -1.206 -1.224 -2.682) 3.185 14.229 ( -1.683 -4.308 3.933) 6.071 14.260 ( 2.292 -4.694 0.229) 5.228 14.658 ( 0.154 0.766 0.813) 1.128 14.668 ( -0.279 0.186 -0.469) 0.576 22.513 ( -0.114 11.196 3.619) 11.767 22.594 ( 0.127 12.652 -5.211) 13.684 22.890 ( 0.073 -2.614 2.409) 3.556 22.937 ( -0.081 -1.932 -2.756) 3.367 23.380 ( -0.401 2.238 3.996) 4.597 23.474 ( 0.742 0.621 -6.253) 6.327 23.791 ( 0.621 1.421 1.517) 2.169 23.821 ( -0.929 1.388 -2.018) 2.619 23.945 ( 0.338 -2.578 1.164) 2.849 23.971 ( -0.630 -3.620 -1.714) 4.055 24.327 ( -1.138 1.634 1.969) 2.800 24.348 ( 0.340 1.391 -0.266) 1.457 24.408 ( 0.590 0.861 0.259) 1.076 24.424 ( 0.551 0.667 -1.387) 1.635 24.465 ( -0.963 -0.007 1.402) 1.701 24.495 ( 0.691 -0.270 -1.562) 1.729 24.837 ( 0.343 2.067 5.792) 6.159 24.924 ( -0.283 2.651 -3.245) 4.200 25.030 ( -2.610 -2.639 8.359) 9.146 25.173 ( 2.807 -3.834 -6.621) 8.150 25.668 ( 0.866 4.260 8.915) 9.919 25.812 ( 0.613 3.214 -4.366) 5.456 26.016 ( 2.397 0.758 12.433) 12.684 26.287 ( -3.534 -3.879 -14.635) 15.548 27.275 ( 0.357 -0.376 1.253) 1.356 27.297 ( -0.222 -0.065 -1.234) 1.255 27.351 ( 1.685 -2.259 1.378) 3.137 27.363 ( -1.061 -1.563 0.204) 1.900 27.736 ( 2.790 0.389 3.966) 4.865 27.789 ( -3.967 -2.516 0.408) 4.716 27.916 ( 0.087 -3.137 -1.667) 3.554 27.964 ( 0.513 -3.617 -4.767) 6.006 ======================= Grid point 107 (57/64) ======================= q-point: (-0.33 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( 3.157 8.514 10.401) 13.806 1.239 ( 1.208 13.161 -8.300) 15.607 1.480 ( -4.751 10.257 10.118) 15.170 1.733 ( -0.865 0.682 3.043) 3.236 1.872 ( 2.004 -2.237 -5.673) 6.419 1.904 ( -0.020 4.617 -4.585) 6.506 2.053 ( 4.297 5.133 -2.983) 7.329 2.094 ( 0.923 10.992 6.003) 12.558 2.239 ( 4.036 5.501 -0.041) 6.822 2.350 ( -0.741 -0.123 4.805) 4.863 2.415 ( 0.798 9.890 3.118) 10.400 2.481 ( 1.033 2.357 -2.132) 3.341 2.548 ( 4.389 -1.120 1.598) 4.803 2.614 ( 1.278 2.533 4.548) 5.361 2.644 ( -3.546 -0.313 2.009) 4.088 2.772 ( 0.580 -0.102 4.313) 4.353 2.814 ( -1.787 -0.906 1.403) 2.446 2.822 ( -1.856 -0.193 -1.635) 2.481 2.941 ( 1.692 1.915 2.337) 3.462 3.017 ( 2.665 -3.570 0.859) 4.537 3.069 ( -0.714 -0.640 -1.836) 2.072 3.121 ( 0.333 0.129 -5.121) 5.134 3.156 ( -1.298 1.763 -0.591) 2.267 3.189 ( -0.419 -0.125 -2.619) 2.655 3.343 ( -0.198 -2.189 -0.552) 2.266 3.355 ( -1.103 -1.225 -1.640) 2.326 3.404 ( -0.389 2.143 2.997) 3.705 3.437 ( -1.736 -2.439 0.210) 3.001 3.492 ( -5.176 -0.336 -3.493) 6.253 3.541 ( 3.287 0.456 0.282) 3.331 3.559 ( -2.852 0.100 -2.240) 3.628 3.590 ( 1.377 -0.181 1.028) 1.728 3.701 ( -4.506 0.028 -2.590) 5.197 3.803 ( -4.490 -2.452 -3.612) 6.262 3.866 ( 3.204 -0.039 3.826) 4.990 3.909 ( -0.842 -0.467 -2.985) 3.137 3.936 ( -2.591 0.518 2.372) 3.550 3.993 ( -5.198 -1.120 -2.086) 5.712 4.058 ( -2.217 -3.508 -0.832) 4.232 4.088 ( 0.126 0.319 1.451) 1.491 4.180 ( 1.769 0.022 0.040) 1.769 4.209 ( -0.463 0.287 -4.123) 4.158 4.284 ( -0.556 -2.152 0.657) 2.318 4.318 ( -1.098 -1.303 -2.868) 3.336 4.397 ( -1.090 -0.632 -1.299) 1.809 4.432 ( 1.601 0.442 1.417) 2.184 4.471 ( -0.932 0.529 3.195) 3.370 4.533 ( -0.962 1.101 2.813) 3.170 4.557 ( 2.414 -0.072 -0.209) 2.424 4.617 ( -0.773 1.407 -3.274) 3.646 4.687 ( -0.246 -2.930 0.747) 3.034 4.692 ( -0.256 -2.632 -0.390) 2.673 4.824 ( -0.364 -0.859 1.133) 1.468 4.863 ( -0.890 0.311 -2.349) 2.531 5.079 ( -0.888 -2.687 0.482) 2.871 5.143 ( -1.164 -2.122 -0.040) 2.421 5.189 ( -0.233 1.819 0.249) 1.850 5.224 ( -0.820 0.868 -4.207) 4.373 5.340 ( 0.015 -0.945 0.845) 1.268 5.370 ( -0.286 -3.190 -4.331) 5.387 5.559 ( 0.911 0.515 9.151) 9.210 5.602 ( 1.461 0.012 11.049) 11.146 5.772 ( 2.112 2.793 -6.519) 7.400 5.877 ( 5.936 -0.382 -1.891) 6.242 6.253 ( 0.767 1.527 1.514) 2.283 6.318 ( 1.877 0.629 -1.739) 2.635 6.631 ( 1.316 1.206 5.040) 5.347 6.682 ( 1.106 0.671 -1.852) 2.259 6.782 ( 0.578 4.271 5.455) 6.952 6.874 ( 0.216 3.422 -5.412) 6.407 6.935 ( 0.944 -1.496 1.190) 2.132 6.997 ( 2.312 -0.606 -2.587) 3.522 8.657 ( 1.129 1.697 0.764) 2.177 8.750 ( 4.578 2.546 -0.757) 5.293 8.896 ( -0.881 -4.993 0.677) 5.115 9.001 ( 2.332 -4.663 -1.962) 5.571 9.126 ( 0.091 0.029 1.746) 1.749 9.165 ( 1.636 -0.971 0.222) 1.915 9.424 ( -1.981 2.915 -0.250) 3.534 9.443 ( -0.680 1.835 0.351) 1.988 10.082 ( 0.069 1.772 -0.479) 1.837 10.112 ( 0.706 2.015 -0.051) 2.135 10.178 ( -1.621 -0.265 -0.766) 1.812 10.199 ( 0.254 -0.941 0.027) 0.975 10.383 ( 0.715 -0.636 0.605) 1.132 10.420 ( 1.853 -1.025 0.246) 2.131 10.513 ( -0.537 -0.832 -0.889) 1.330 10.554 ( 0.140 -0.947 -0.720) 1.198 10.808 ( 1.542 2.980 -0.767) 3.441 10.851 ( 2.040 2.350 0.956) 3.255 10.885 ( -0.564 0.059 0.148) 0.586 10.944 ( 1.510 -1.032 -0.048) 1.829 11.125 ( -2.925 5.024 1.264) 5.949 11.256 ( 2.133 3.507 -0.390) 4.123 11.405 ( -1.172 4.428 -0.151) 4.583 11.503 ( 2.634 4.067 -3.629) 6.054 11.706 ( -3.428 -1.792 -0.781) 3.946 11.733 ( -2.982 0.101 -0.502) 3.026 11.893 ( -2.104 -5.195 1.140) 5.719 11.949 ( 0.121 -4.169 0.381) 4.188 12.243 ( -0.956 -0.802 -0.343) 1.294 12.296 ( 2.373 -1.847 1.095) 3.200 12.499 ( -2.728 1.641 -1.505) 3.521 12.526 ( -1.960 0.112 -0.933) 2.174 13.435 ( 3.464 0.016 10.316) 10.882 13.513 ( 0.411 -1.540 -3.406) 3.760 13.696 ( 0.057 -1.124 -1.994) 2.290 13.710 ( 1.799 -1.194 0.181) 2.167 14.180 ( -2.965 -1.876 2.617) 4.378 14.302 ( 1.412 -6.320 -0.159) 6.478 14.618 ( -2.677 0.792 -0.066) 2.793 14.674 ( -0.592 -0.684 0.324) 0.961 22.521 ( 0.672 11.376 4.063) 12.098 22.616 ( 2.287 12.205 -6.045) 13.811 22.894 ( 0.142 -2.296 2.380) 3.310 22.937 ( 0.180 -1.972 -2.792) 3.423 23.370 ( -0.577 3.245 2.600) 4.198 23.478 ( -0.258 1.573 -5.783) 5.999 23.788 ( -0.029 0.234 0.033) 0.238 23.848 ( 2.656 2.040 0.040) 3.349 23.943 ( -0.751 -3.526 0.401) 3.627 23.954 ( -0.800 -2.474 -0.616) 2.672 24.292 ( -2.457 1.552 1.588) 3.312 24.323 ( -2.372 1.001 1.150) 2.819 24.392 ( -0.303 0.810 -1.875) 2.065 24.426 ( -1.921 -0.270 -0.278) 1.960 24.489 ( 3.707 1.320 0.009) 3.935 24.544 ( 3.135 -0.667 -0.294) 3.218 24.857 ( 1.421 0.938 5.158) 5.432 24.920 ( -0.139 2.309 -1.783) 2.920 24.990 ( -1.792 -1.162 5.846) 6.224 25.209 ( 0.921 -4.680 -5.610) 7.364 25.681 ( -0.137 4.301 8.343) 9.388 25.819 ( 0.621 4.497 -7.498) 8.765 26.106 ( 5.511 -3.528 14.474) 15.885 26.281 ( 4.311 -2.559 -12.729) 13.681 27.222 ( -3.582 -0.837 0.131) 3.680 27.314 ( -1.182 -0.425 -0.871) 1.529 27.343 ( 0.739 -0.903 -0.466) 1.257 27.389 ( 1.098 -3.303 1.148) 3.665 27.686 ( -5.226 0.251 -0.310) 5.241 27.790 ( 1.363 -1.002 5.021) 5.299 27.906 ( -1.054 -2.426 -0.080) 2.647 27.970 ( 0.440 -3.779 -5.409) 6.613 ======================= Grid point 108 (58/64) ======================= q-point: (-0.17 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( 1.502 10.618 12.006) 16.098 1.331 ( 7.493 13.906 -4.225) 16.351 1.440 ( 0.188 12.939 11.935) 17.604 1.759 ( 2.728 -0.596 4.172) 5.020 1.832 ( -4.351 11.688 -8.820) 15.275 1.896 ( -0.470 -0.699 -0.417) 0.940 2.088 ( -1.117 17.411 9.093) 19.675 2.195 ( 8.726 -3.013 1.978) 9.441 2.314 ( -0.493 0.975 4.750) 4.874 2.351 ( 4.003 3.225 -1.712) 5.418 2.413 ( 1.747 2.439 3.329) 4.481 2.529 ( -3.667 0.027 2.859) 4.650 2.555 ( 3.394 2.246 -0.444) 4.094 2.648 ( 1.393 3.458 4.849) 6.117 2.665 ( 4.516 -1.730 2.865) 5.621 2.785 ( -0.005 -2.271 2.406) 3.309 2.796 ( 0.559 3.029 2.327) 3.861 2.856 ( 3.390 -1.866 -2.714) 4.726 2.972 ( 0.286 0.226 0.343) 0.500 3.007 ( -4.907 -1.302 -3.105) 5.951 3.064 ( 1.541 -0.769 -0.786) 1.893 3.087 ( -2.596 2.968 -5.484) 6.754 3.120 ( -2.436 -1.243 0.049) 2.735 3.200 ( 2.884 -1.496 0.024) 3.249 3.278 ( -6.647 -4.059 -2.132) 8.075 3.315 ( -2.539 1.347 -2.170) 3.601 3.350 ( -2.397 0.590 -1.700) 2.998 3.409 ( -1.534 0.697 0.534) 1.767 3.444 ( -1.834 -0.589 -1.412) 2.388 3.501 ( -2.754 -2.108 -1.447) 3.758 3.555 ( -2.160 -1.506 -8.700) 9.090 3.607 ( 0.268 2.961 1.079) 3.163 3.652 ( -0.251 1.881 -1.619) 2.495 3.731 ( -2.802 -4.469 -2.340) 5.770 3.849 ( -2.914 -2.369 0.397) 3.777 3.869 ( -2.846 -2.356 -1.275) 3.908 3.915 ( 0.212 -0.263 5.060) 5.071 3.960 ( 0.582 0.098 -5.074) 5.108 4.019 ( -1.760 -0.184 1.450) 2.288 4.089 ( -0.368 3.289 -0.386) 3.332 4.142 ( -2.065 -1.788 -2.037) 3.408 4.188 ( -0.921 0.472 -1.096) 1.508 4.259 ( -1.532 -1.022 -1.217) 2.208 4.332 ( -0.100 -1.643 0.520) 1.726 4.395 ( 1.650 0.397 -0.218) 1.711 4.421 ( -1.847 -2.465 -1.158) 3.291 4.473 ( 1.578 0.566 0.115) 1.680 4.519 ( -1.935 2.705 -2.079) 3.922 4.592 ( -0.759 -0.544 -1.183) 1.507 4.608 ( 1.606 -0.522 1.586) 2.317 4.666 ( -1.559 -3.469 1.173) 3.980 4.707 ( 2.014 -3.229 1.572) 4.117 4.811 ( -0.868 -1.046 -1.343) 1.911 4.853 ( -0.330 0.011 -0.289) 0.439 5.063 ( -0.557 -0.787 0.389) 1.040 5.111 ( -1.881 -1.490 0.223) 2.410 5.173 ( -0.955 2.700 -0.082) 2.866 5.213 ( -0.518 1.374 -2.918) 3.266 5.330 ( -0.748 -1.723 -0.773) 2.031 5.352 ( -0.686 -2.340 -2.356) 3.391 5.573 ( 0.773 1.077 9.483) 9.575 5.716 ( 5.541 0.362 -0.728) 5.600 5.820 ( 4.466 0.467 4.333) 6.240 5.970 ( 3.201 -1.742 0.623) 3.697 6.280 ( 1.548 2.245 2.137) 3.464 6.344 ( 0.961 1.576 -2.455) 3.072 6.658 ( 0.817 0.407 6.164) 6.231 6.708 ( 1.670 -0.158 -1.868) 2.511 6.797 ( 0.566 3.683 4.408) 5.771 6.879 ( 0.462 3.467 -5.208) 6.273 6.965 ( 2.274 -1.678 1.261) 3.094 7.041 ( 1.813 -0.928 -1.707) 2.658 8.701 ( 3.154 1.220 0.507) 3.419 8.808 ( -0.038 1.772 -0.507) 1.843 8.914 ( 3.785 -4.526 0.034) 5.901 9.026 ( 0.013 -4.058 -0.880) 4.153 9.146 ( 1.817 0.844 2.454) 3.168 9.205 ( 2.282 -0.564 -0.591) 2.424 9.384 ( -1.759 2.902 -0.536) 3.436 9.418 ( -1.998 1.396 0.367) 2.465 10.085 ( 0.231 1.404 -0.628) 1.555 10.117 ( -0.354 1.592 0.150) 1.638 10.147 ( -1.160 -0.207 0.198) 1.194 10.192 ( -0.998 -1.220 -0.749) 1.745 10.422 ( 3.134 -0.157 1.243) 3.375 10.456 ( 1.955 -1.032 -0.031) 2.211 10.510 ( -0.090 -1.203 -0.922) 1.519 10.544 ( -0.905 -2.594 -1.117) 2.966 10.831 ( 0.812 1.984 -2.725) 3.467 10.845 ( -2.409 1.447 2.930) 4.060 10.921 ( 3.350 2.119 1.193) 4.140 10.986 ( 2.812 -0.107 -1.009) 2.989 11.097 ( 0.527 6.687 0.464) 6.723 11.270 ( -1.289 2.268 -2.834) 3.852 11.402 ( 1.315 5.329 1.658) 5.734 11.540 ( 1.310 4.857 -4.085) 6.481 11.630 ( -4.991 -0.126 0.748) 5.048 11.642 ( -5.403 -0.958 -2.173) 5.902 11.869 ( -0.199 -5.198 1.828) 5.514 11.940 ( -1.091 -4.499 -0.033) 4.630 12.237 ( 0.375 0.164 0.101) 0.422 12.342 ( 1.797 -2.497 0.190) 3.082 12.415 ( -4.694 2.133 -3.934) 6.486 12.477 ( -3.085 0.085 0.708) 3.166 13.517 ( 2.869 -2.476 5.832) 6.956 13.557 ( 4.240 -3.320 3.166) 6.246 13.711 ( 1.932 -0.913 0.424) 2.179 13.755 ( 2.857 -1.761 0.495) 3.392 14.137 ( -1.191 -0.147 3.223) 3.439 14.304 ( -1.214 -6.944 -1.387) 7.185 14.576 ( -1.401 0.256 -0.344) 1.465 14.640 ( -2.798 -1.584 -0.222) 3.223 22.538 ( 0.767 11.561 5.126) 12.670 22.663 ( 2.669 11.364 -8.242) 14.290 22.895 ( -0.151 -2.046 2.394) 3.153 22.940 ( 0.273 -1.749 -2.910) 3.406 23.373 ( 0.972 4.934 0.161) 5.031 23.456 ( -1.789 3.219 -4.531) 5.839 23.804 ( 1.693 -0.782 0.342) 1.896 23.887 ( 0.768 0.539 -0.474) 1.051 23.923 ( -0.764 -3.255 -0.150) 3.347 23.945 ( -0.308 0.167 -0.152) 0.382 24.254 ( -1.082 0.818 0.890) 1.622 24.280 ( -2.079 0.589 1.184) 2.464 24.387 ( -0.294 -0.000 -1.370) 1.401 24.394 ( -1.226 -0.031 -0.717) 1.421 24.554 ( 2.976 0.870 0.576) 3.154 24.593 ( 1.773 -0.337 -0.033) 1.805 24.882 ( 0.126 -0.070 4.157) 4.159 24.918 ( 0.444 1.629 -0.408) 1.737 24.983 ( 1.274 -0.790 4.006) 4.277 25.196 ( -2.001 -4.730 -4.877) 7.083 25.674 ( -0.793 4.346 8.230) 9.341 25.823 ( -0.015 4.043 -7.869) 8.847 26.219 ( 5.532 -6.128 12.102) 14.650 26.415 ( 8.221 -5.885 -8.951) 13.504 27.159 ( -2.595 -0.546 -0.218) 2.660 27.255 ( -4.790 -2.280 -2.020) 5.677 27.362 ( 0.814 -0.197 -0.239) 0.871 27.383 ( -1.416 -1.381 1.308) 2.371 27.630 ( 0.418 3.610 1.435) 3.907 27.787 ( -2.287 -0.090 3.411) 4.107 27.886 ( -0.582 -2.958 1.766) 3.494 27.974 ( 0.208 -4.099 -5.393) 6.778 ======================= Grid point 109 (59/64) ======================= q-point: ( 0.00 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( -0.800 14.052 9.453) 16.954 1.624 ( 0.858 8.671 -5.546) 10.329 1.706 ( 0.852 -8.135 5.157) 9.669 1.777 ( -0.743 -5.870 -1.824) 6.191 1.835 ( 6.918 13.817 11.458) 19.237 1.981 ( -0.225 2.873 -2.160) 3.602 2.228 ( 3.221 -3.390 3.068) 5.593 2.295 ( -1.754 -5.234 -2.402) 6.021 2.379 ( -1.863 6.729 1.057) 7.062 2.398 ( 2.391 5.231 -0.222) 5.756 2.510 ( -2.624 -1.746 1.418) 3.456 2.528 ( 3.168 -3.809 3.752) 6.215 2.583 ( 1.605 5.065 -2.204) 5.752 2.622 ( 2.770 1.259 0.338) 3.061 2.714 ( -2.870 -0.152 4.394) 5.251 2.741 ( -0.751 -3.931 4.357) 5.916 2.845 ( -0.960 -0.440 1.697) 1.999 2.858 ( -2.027 -1.549 1.948) 3.210 2.916 ( 1.178 3.258 -2.486) 4.264 2.958 ( 0.696 -0.659 -3.583) 3.709 3.094 ( 1.695 3.684 0.815) 4.136 3.121 ( 0.921 0.725 1.963) 2.286 3.158 ( -0.630 1.388 -1.822) 2.375 3.174 ( 2.525 0.693 -0.024) 2.618 3.244 ( -3.544 0.856 -1.988) 4.152 3.296 ( -1.219 1.486 -5.186) 5.531 3.323 ( -1.896 -2.846 0.252) 3.429 3.361 ( 0.122 -0.662 -2.306) 2.402 3.408 ( -3.241 2.325 0.628) 4.038 3.429 ( -1.036 2.918 -1.686) 3.526 3.489 ( -4.889 -4.612 0.125) 6.723 3.523 ( 4.272 -4.582 -3.151) 7.013 3.654 ( -1.608 1.146 0.489) 2.034 3.692 ( -0.553 1.310 -2.859) 3.193 3.737 ( -1.907 -3.648 0.944) 4.224 3.752 ( -0.301 -6.935 -1.504) 7.103 3.944 ( 1.326 2.085 4.416) 5.060 3.955 ( 1.844 1.132 3.376) 4.010 4.064 ( 1.165 1.168 1.183) 2.030 4.103 ( 0.184 -2.680 -1.470) 3.062 4.163 ( 1.783 3.598 -2.705) 4.842 4.211 ( 0.229 0.777 -4.914) 4.981 4.273 ( 0.256 3.412 -0.691) 3.491 4.322 ( -2.147 0.755 -3.424) 4.112 4.349 ( 1.711 -1.885 -0.139) 2.549 4.409 ( -3.507 -2.384 -4.651) 6.294 4.492 ( 1.186 2.168 0.827) 2.606 4.519 ( -1.024 1.385 -2.197) 2.791 4.546 ( 0.156 -0.210 1.023) 1.056 4.561 ( -1.166 -1.475 0.286) 1.901 4.674 ( 2.252 -1.172 2.035) 3.254 4.690 ( -0.201 -1.375 0.162) 1.399 4.787 ( 1.032 -1.115 -0.910) 1.771 4.799 ( -0.474 -2.465 -2.338) 3.430 5.042 ( -0.372 -0.677 -0.341) 0.844 5.050 ( -0.749 -1.317 -1.035) 1.835 5.229 ( -0.775 3.419 1.658) 3.878 5.267 ( 0.461 2.532 -2.556) 3.627 5.285 ( -0.464 -0.960 2.228) 2.470 5.323 ( 0.605 -1.695 -2.150) 2.804 5.652 ( 1.950 4.241 9.732) 10.793 5.755 ( 2.685 -4.784 1.406) 5.664 5.863 ( -0.957 1.677 1.933) 2.732 5.925 ( -1.638 -3.439 -2.274) 4.436 6.350 ( -0.148 2.546 1.886) 3.172 6.379 ( 0.080 -0.094 -1.127) 1.134 6.671 ( -0.311 1.300 3.168) 3.439 6.708 ( 0.895 -2.212 -0.696) 2.486 6.857 ( -0.610 2.567 3.653) 4.506 6.897 ( -0.615 -1.290 1.086) 1.795 6.999 ( 0.552 1.641 -1.492) 2.285 7.032 ( 0.435 -1.537 -3.445) 3.797 8.778 ( 0.837 0.934 0.262) 1.281 8.785 ( -0.673 0.331 -0.544) 0.927 8.925 ( -0.345 -1.444 0.594) 1.599 8.939 ( 0.394 -2.712 -0.815) 2.860 9.209 ( 0.580 1.071 1.311) 1.790 9.224 ( -0.180 -0.341 -0.210) 0.439 9.405 ( -0.695 1.193 0.284) 1.409 9.411 ( 0.679 0.661 -0.310) 0.997 10.108 ( 0.121 0.553 0.138) 0.583 10.111 ( -0.319 0.389 -0.170) 0.531 10.159 ( 0.204 0.926 0.604) 1.124 10.172 ( -0.178 -0.184 -0.639) 0.689 10.448 ( -0.195 0.007 1.309) 1.323 10.465 ( 0.055 -1.288 -0.290) 1.321 10.477 ( 0.116 -0.599 -0.248) 0.658 10.484 ( -0.430 -1.465 -1.065) 1.862 10.834 ( -0.982 1.987 1.359) 2.599 10.862 ( 0.940 -0.815 -1.641) 2.059 11.007 ( 0.335 1.030 -0.057) 1.084 11.016 ( -0.274 -0.020 -1.027) 1.063 11.256 ( 2.203 4.294 0.128) 4.827 11.275 ( -1.561 2.653 -1.707) 3.520 11.509 ( 0.990 -1.714 0.071) 1.981 11.517 ( -1.533 -2.399 -0.739) 2.941 11.617 ( 0.833 7.705 2.524) 8.151 11.661 ( -1.384 6.737 -2.006) 7.164 11.770 ( 1.774 -6.805 2.179) 7.362 11.802 ( -1.700 -6.680 -1.117) 6.982 12.275 ( 0.460 1.047 1.125) 1.604 12.292 ( -1.756 -0.592 -0.454) 1.908 12.420 ( 0.334 0.403 -0.479) 0.710 12.426 ( -0.216 -0.203 -0.938) 0.984 13.519 ( 0.428 -0.307 3.436) 3.477 13.542 ( 0.977 -2.442 0.959) 2.800 13.734 ( 0.978 -0.147 -0.115) 0.996 13.750 ( 0.814 -1.745 -1.578) 2.490 14.145 ( 0.160 0.610 2.495) 2.574 14.178 ( -0.975 -2.792 -0.934) 3.102 14.568 ( 0.628 -0.282 -0.319) 0.758 14.571 ( -0.813 -0.547 -0.613) 1.156 22.738 ( -0.352 7.334 4.902) 8.829 22.815 ( 0.562 0.368 -1.534) 1.674 22.870 ( -0.253 1.495 0.164) 1.525 22.916 ( 0.366 -1.831 -3.186) 3.692 23.464 ( -0.314 2.315 -3.391) 4.118 23.478 ( -0.299 1.040 -4.211) 4.348 23.796 ( 0.599 -1.236 0.294) 1.404 23.811 ( -0.541 -2.575 -1.400) 2.981 23.969 ( 0.921 2.238 0.127) 2.423 23.978 ( -0.008 1.426 -1.010) 1.747 24.248 ( -0.008 -0.065 0.877) 0.880 24.256 ( 0.763 -0.792 -0.029) 1.100 24.372 ( -0.665 0.297 -0.058) 0.731 24.380 ( -0.421 -0.467 -0.829) 1.041 24.596 ( 0.062 0.289 0.391) 0.490 24.603 ( -0.133 -0.283 -0.246) 0.398 24.896 ( 0.167 2.261 5.879) 6.300 24.945 ( 1.535 -1.983 5.104) 5.687 25.005 ( -0.110 1.708 -2.838) 3.314 25.065 ( -1.708 -3.790 -4.970) 6.479 25.750 ( -1.160 4.468 9.266) 10.352 25.820 ( -1.714 -2.101 4.197) 4.997 26.239 ( 0.531 2.978 0.844) 3.141 26.350 ( 1.327 -7.537 -9.052) 11.853 27.158 ( 1.011 0.079 -0.015) 1.015 27.160 ( -1.234 -0.191 -0.285) 1.281 27.366 ( -0.116 0.745 1.219) 1.434 27.381 ( 0.409 -0.786 -0.299) 0.935 27.739 ( 2.398 3.230 2.542) 4.759 27.782 ( -1.898 4.350 -2.082) 5.182 27.812 ( 0.555 -4.030 2.883) 4.986 27.877 ( -0.719 -5.128 -3.840) 6.447 ======================= Grid point 110 (60/64) ======================= q-point: ( 0.17 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( -4.815 15.691 7.370) 17.992 1.606 ( -2.147 4.022 -5.320) 7.006 1.703 ( -0.420 -6.098 3.094) 6.851 1.763 ( -0.120 -5.269 -1.541) 5.491 1.936 ( -2.844 8.421 -7.831) 11.846 1.961 ( 0.700 7.107 1.280) 7.255 2.210 ( -3.725 -1.053 -2.577) 4.650 2.285 ( 0.914 -3.344 1.961) 3.982 2.360 ( 1.537 1.705 1.692) 2.852 2.407 ( -1.730 1.530 0.571) 2.380 2.467 ( -2.370 1.632 -1.101) 3.081 2.502 ( -5.562 2.846 0.189) 6.251 2.596 ( 1.598 1.573 -2.043) 3.034 2.673 ( 1.550 1.067 -0.405) 1.925 2.721 ( 2.311 -1.913 4.925) 5.767 2.767 ( 0.200 -2.418 4.866) 5.437 2.810 ( -2.847 -0.570 2.391) 3.761 2.826 ( -0.130 -2.711 2.423) 3.638 2.954 ( 1.993 1.707 0.159) 2.629 2.969 ( 0.677 -0.395 -1.038) 1.300 3.102 ( -1.938 4.347 -0.430) 4.779 3.123 ( 1.264 3.725 -2.356) 4.585 3.172 ( -0.912 -1.934 -2.151) 3.033 3.185 ( 2.718 2.028 -3.657) 4.987 3.225 ( 0.505 2.980 0.562) 3.074 3.256 ( -1.365 -0.189 0.972) 1.687 3.287 ( -1.901 -2.018 2.050) 3.448 3.365 ( 0.718 -6.248 -0.615) 6.320 3.424 ( 5.861 2.104 2.855) 6.850 3.475 ( 3.100 0.732 0.002) 3.185 3.484 ( 4.971 4.795 3.764) 7.866 3.613 ( 3.315 -4.531 2.211) 6.034 3.636 ( 0.733 0.549 3.028) 3.163 3.681 ( -0.741 -0.329 -0.787) 1.130 3.733 ( 1.739 -3.097 -1.409) 3.821 3.757 ( 2.136 -7.751 -0.656) 8.067 3.987 ( 2.628 3.433 0.605) 4.365 4.004 ( 3.094 1.058 0.408) 3.295 4.091 ( 0.751 1.076 0.369) 1.363 4.104 ( -1.751 -0.013 -0.674) 1.876 4.149 ( -1.277 3.357 -4.882) 6.061 4.188 ( -1.316 -1.321 -2.803) 3.367 4.265 ( -1.958 1.085 -2.526) 3.375 4.323 ( -0.036 -3.156 0.802) 3.257 4.365 ( 0.608 0.409 -2.529) 2.633 4.388 ( 0.750 -1.534 1.101) 2.032 4.484 ( 1.225 4.395 -2.105) 5.025 4.528 ( 2.342 -1.291 0.574) 2.735 4.558 ( -0.122 -0.004 1.619) 1.623 4.576 ( 1.603 0.073 0.338) 1.640 4.669 ( -1.057 0.285 -1.662) 1.990 4.699 ( 0.569 -1.843 1.058) 2.200 4.800 ( 0.585 -0.736 -1.789) 2.021 4.814 ( 1.027 -2.354 -1.413) 2.932 5.038 ( -0.352 -1.203 -0.029) 1.254 5.043 ( 0.307 -1.843 -0.667) 1.984 5.219 ( -0.092 3.282 1.755) 3.723 5.270 ( 0.135 -0.732 -0.536) 0.917 5.292 ( 0.802 1.587 0.033) 1.779 5.331 ( 0.250 -1.254 -2.220) 2.562 5.671 ( -0.365 4.526 7.472) 8.743 5.763 ( -1.027 -1.429 -6.000) 6.253 5.828 ( -3.381 -2.215 6.922) 8.015 5.867 ( -4.152 -2.878 -2.635) 5.697 6.327 ( -2.088 2.318 1.407) 3.422 6.358 ( -2.028 -0.619 -0.814) 2.271 6.663 ( -0.600 2.507 2.374) 3.504 6.718 ( 0.069 -2.889 -0.903) 3.028 6.843 ( -0.941 2.521 3.870) 4.714 6.880 ( -1.104 -1.338 2.701) 3.210 6.988 ( -1.200 2.409 -3.349) 4.296 7.027 ( -0.966 -1.594 -3.264) 3.758 8.749 ( -1.862 2.435 -0.609) 3.125 8.804 ( 0.634 -2.692 -0.267) 2.779 8.873 ( -3.870 1.811 0.147) 4.276 8.937 ( -1.576 -4.096 -0.029) 4.388 9.180 ( -2.530 0.201 0.420) 2.573 9.186 ( -2.820 -0.294 0.114) 2.838 9.428 ( 2.376 2.181 0.266) 3.236 9.449 ( 2.445 0.065 -0.295) 2.464 10.108 ( 0.207 1.036 -0.153) 1.067 10.115 ( 0.353 0.192 0.370) 0.546 10.169 ( 0.656 0.859 0.234) 1.106 10.181 ( 0.979 -0.433 -0.698) 1.278 10.419 ( -2.338 0.464 1.025) 2.595 10.440 ( -2.088 -1.584 -0.506) 2.669 10.483 ( 0.504 -0.110 -0.147) 0.536 10.498 ( 1.432 -1.405 0.073) 2.008 10.833 ( 0.710 2.868 1.248) 3.207 10.885 ( 1.075 -2.228 -0.684) 2.567 10.962 ( -3.732 0.834 -0.964) 3.944 10.971 ( -3.998 -0.224 -0.697) 4.064 11.245 ( -1.266 5.718 -0.810) 5.912 11.294 ( 1.328 1.156 -0.874) 1.966 11.498 ( -0.560 1.434 0.351) 1.579 11.540 ( 2.312 -1.594 0.084) 2.809 11.633 ( 0.171 5.822 -0.009) 5.825 11.699 ( 4.647 5.014 0.446) 6.851 11.776 ( -0.654 -7.141 -1.042) 7.246 11.809 ( 2.211 -6.037 2.162) 6.783 12.250 ( -1.564 1.022 0.598) 1.962 12.276 ( -0.786 -1.586 1.740) 2.482 12.437 ( 2.371 2.289 -0.419) 3.322 12.472 ( 3.241 -1.206 -0.260) 3.468 13.507 ( -1.662 0.456 1.360) 2.195 13.544 ( -0.788 -3.113 -0.056) 3.211 13.732 ( -1.088 -0.072 -2.361) 2.601 13.745 ( -1.148 -1.479 -3.180) 3.690 14.145 ( -0.001 0.060 2.178) 2.179 14.173 ( 0.327 -2.789 1.205) 3.056 14.586 ( 2.253 0.726 -0.295) 2.385 14.606 ( 2.869 -1.325 -0.020) 3.160 22.727 ( -0.889 7.519 4.383) 8.749 22.817 ( -0.328 0.048 -1.707) 1.739 22.857 ( -1.049 2.251 0.028) 2.483 22.914 ( -0.340 -1.935 -3.038) 3.618 23.443 ( -1.243 2.587 -1.696) 3.334 23.472 ( -0.476 -0.312 -3.782) 3.825 23.802 ( -0.039 -0.839 -1.079) 1.367 23.813 ( 0.720 -2.071 0.114) 2.196 23.963 ( -1.023 1.474 -1.276) 2.202 23.970 ( -0.994 1.135 -0.967) 1.792 24.274 ( 2.617 0.736 -0.021) 2.719 24.294 ( 2.735 -1.132 -0.442) 2.993 24.367 ( 0.155 0.591 0.907) 1.093 24.380 ( 0.535 -0.769 0.276) 0.977 24.570 ( -2.502 0.530 -0.022) 2.558 24.580 ( -2.197 -0.508 -0.024) 2.255 24.903 ( 0.041 3.594 6.405) 7.345 24.968 ( 0.573 -1.001 2.175) 2.461 25.006 ( 0.164 -1.087 0.753) 1.333 25.045 ( 0.031 -2.915 -5.531) 6.253 25.733 ( -0.943 4.060 10.105) 10.930 25.792 ( -1.151 -1.713 7.109) 7.403 26.206 ( -3.448 5.197 -2.346) 6.663 26.336 ( -2.326 -7.903 -9.267) 12.400 27.163 ( 1.586 1.098 0.112) 1.933 27.193 ( 2.510 -1.966 0.223) 3.196 27.362 ( -0.352 1.041 0.599) 1.251 27.382 ( -0.414 -1.083 -0.319) 1.203 27.749 ( -0.773 4.849 -1.518) 5.140 27.797 ( 2.705 0.657 2.318) 3.623 27.822 ( 0.025 -2.618 1.467) 3.001 27.868 ( 0.223 -5.103 -3.444) 6.161 ======================= Grid point 111 (61/64) ======================= q-point: ( 0.33 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( -3.401 15.143 5.461) 16.453 1.552 ( -2.896 -0.916 -5.873) 6.612 1.684 ( -2.962 -3.435 -4.402) 6.320 1.761 ( -0.359 -5.264 -4.571) 6.981 1.848 ( -2.512 5.157 -8.487) 10.243 1.878 ( -7.413 2.583 -0.492) 7.866 2.207 ( 0.975 6.946 -0.259) 7.019 2.266 ( -2.696 -0.216 -0.356) 2.728 2.340 ( -3.544 2.055 -2.999) 5.077 2.381 ( -1.436 0.728 1.316) 2.080 2.445 ( 1.285 3.436 4.307) 5.657 2.494 ( 6.401 -3.559 4.668) 8.685 2.578 ( -4.236 4.703 1.707) 6.556 2.624 ( -6.538 1.062 2.547) 7.097 2.738 ( -3.879 1.074 -1.753) 4.390 2.776 ( -1.077 -3.699 1.651) 4.192 2.784 ( 3.967 0.018 0.756) 4.039 2.823 ( 3.790 -4.061 -3.780) 6.719 2.994 ( 0.273 1.315 0.948) 1.644 3.027 ( 2.919 -0.201 1.645) 3.357 3.053 ( -1.174 3.948 -2.383) 4.758 3.119 ( -5.289 0.913 -2.613) 5.970 3.164 ( 2.328 2.564 3.238) 4.741 3.217 ( 0.881 -0.229 0.875) 1.262 3.250 ( 0.293 0.322 2.986) 3.018 3.268 ( 3.250 -2.257 0.810) 4.039 3.295 ( 4.636 -0.197 1.899) 5.014 3.371 ( -0.711 -4.630 0.609) 4.724 3.506 ( 0.566 4.960 2.287) 5.491 3.527 ( 2.797 4.110 0.804) 5.037 3.632 ( 2.527 -0.021 2.018) 3.234 3.666 ( -1.466 -2.100 -0.531) 2.616 3.679 ( 8.690 0.888 2.732) 9.153 3.694 ( 5.890 -2.211 4.201) 7.565 3.816 ( 6.830 -3.508 0.635) 7.704 3.832 ( 5.422 -4.664 -2.629) 7.620 3.988 ( -3.787 4.623 -1.786) 6.237 4.036 ( -2.048 2.512 -1.335) 3.505 4.051 ( -0.422 -1.912 -2.715) 3.348 4.094 ( -0.526 -2.178 2.153) 3.107 4.141 ( 0.706 2.815 0.051) 2.903 4.176 ( -1.901 -2.838 3.899) 5.184 4.223 ( -1.280 1.120 -2.700) 3.191 4.304 ( 0.204 -4.176 -3.019) 5.157 4.372 ( -0.863 1.018 0.209) 1.351 4.390 ( 0.615 -1.096 -0.483) 1.347 4.522 ( 0.768 3.529 -0.786) 3.696 4.562 ( -0.065 -0.740 0.977) 1.228 4.597 ( 2.335 0.520 -0.251) 2.405 4.604 ( 3.719 0.289 0.743) 3.804 4.671 ( 1.264 1.991 -1.180) 2.637 4.701 ( -0.325 0.104 0.531) 0.631 4.803 ( -0.061 -0.704 -0.212) 0.738 4.824 ( 0.347 -3.387 -1.977) 3.937 5.030 ( -0.462 -1.114 -0.870) 1.487 5.050 ( 0.168 -3.144 -1.752) 3.603 5.230 ( 0.965 3.061 1.268) 3.451 5.278 ( 0.668 -0.627 -1.094) 1.427 5.303 ( 0.309 0.539 -0.071) 0.625 5.332 ( 0.022 -0.771 -2.015) 2.158 5.652 ( -2.006 3.455 7.532) 8.526 5.738 ( -6.068 -1.150 7.180) 9.471 5.742 ( -0.482 -1.873 -6.817) 7.086 5.784 ( -3.466 -1.712 -5.356) 6.605 6.289 ( -1.583 1.667 0.724) 2.410 6.315 ( -2.201 -0.852 -0.469) 2.407 6.654 ( -0.365 2.959 2.231) 3.724 6.707 ( -1.128 -2.290 -0.827) 2.684 6.833 ( -0.231 2.555 4.382) 5.078 6.867 ( -0.253 -1.152 3.496) 3.690 6.962 ( -1.161 2.338 -4.536) 5.233 6.995 ( -1.899 -1.256 -3.717) 4.358 8.719 ( -1.035 2.879 -0.752) 3.151 8.771 ( -3.970 -0.918 -0.140) 4.077 8.836 ( 0.568 -0.156 -0.225) 0.631 8.891 ( -2.607 -4.134 0.242) 4.894 9.142 ( -1.377 -0.256 -0.009) 1.401 9.144 ( -1.505 -0.514 0.688) 1.733 9.469 ( 1.627 2.020 0.381) 2.622 9.484 ( 1.170 0.515 -0.243) 1.302 10.115 ( 0.456 1.059 -0.468) 1.244 10.118 ( -0.057 0.444 0.625) 0.769 10.179 ( 0.341 0.800 -0.280) 0.914 10.197 ( 0.547 -0.861 -1.254) 1.616 10.381 ( -1.385 0.406 0.842) 1.671 10.398 ( -2.019 -1.412 -0.092) 2.466 10.505 ( 1.777 0.781 0.020) 1.941 10.526 ( 1.262 -1.166 0.129) 1.723 10.838 ( -0.984 2.262 1.196) 2.741 10.873 ( -2.779 -1.182 0.967) 3.171 10.900 ( -0.922 1.366 -1.323) 2.114 10.929 ( -0.237 -1.527 -1.580) 2.210 11.231 ( -0.130 5.104 0.699) 5.153 11.292 ( -1.365 -0.859 -0.569) 1.710 11.509 ( 1.761 5.310 0.081) 5.595 11.569 ( 0.046 3.884 -0.206) 3.890 11.648 ( 1.787 -1.285 -0.261) 2.216 11.733 ( -1.074 -3.305 -1.314) 3.715 11.815 ( 3.882 -1.816 0.964) 4.393 11.850 ( 1.719 -3.601 1.651) 4.318 12.234 ( -0.213 0.753 0.875) 1.173 12.261 ( -0.843 -1.910 1.034) 2.329 12.492 ( 2.958 2.511 0.955) 3.996 12.528 ( 2.425 -1.166 0.024) 2.691 13.470 ( -2.043 1.553 0.918) 2.725 13.518 ( -1.660 -3.305 -1.100) 3.859 13.698 ( -1.896 0.368 -4.170) 4.596 13.714 ( -1.737 -1.257 -3.498) 4.103 14.158 ( 1.179 -0.488 2.341) 2.666 14.180 ( 0.260 -2.796 2.216) 3.577 14.636 ( 2.529 0.892 -0.038) 2.682 14.655 ( 1.855 -1.046 0.083) 2.132 22.713 ( -0.656 7.948 3.913) 8.883 22.800 ( -1.180 3.307 -3.252) 4.785 22.841 ( -0.478 -0.190 1.715) 1.791 22.903 ( -0.613 -2.547 -2.953) 3.947 23.424 ( -0.643 2.052 -0.136) 2.155 23.459 ( -0.414 -1.386 -3.776) 4.044 23.806 ( 0.528 0.587 -0.678) 1.041 23.824 ( 0.351 -1.684 0.118) 1.724 23.941 ( -1.188 0.672 -1.469) 2.005 23.946 ( -1.132 -0.035 -0.727) 1.346 24.330 ( 2.796 0.745 -0.228) 2.902 24.342 ( 1.926 -0.414 0.165) 1.977 24.381 ( 1.492 0.935 0.733) 1.907 24.400 ( 1.467 -0.995 0.947) 2.010 24.514 ( -3.085 0.844 -0.539) 3.244 24.528 ( -2.980 -0.594 -0.404) 3.066 24.900 ( -0.678 3.853 6.974) 7.997 24.968 ( -0.651 -1.145 3.270) 3.525 25.007 ( 0.058 -0.087 0.166) 0.196 25.060 ( 1.665 -3.413 -5.929) 7.041 25.732 ( 0.356 3.982 10.271) 11.022 25.791 ( 0.639 -1.898 8.411) 8.646 26.131 ( -3.652 6.481 -4.448) 8.667 26.264 ( -4.149 -7.012 -10.626) 13.390 27.214 ( 3.450 0.776 0.685) 3.601 27.248 ( 3.131 -2.577 0.888) 4.151 27.345 ( -1.737 0.814 -0.332) 1.947 27.364 ( -1.479 -1.099 -0.152) 1.849 27.747 ( 0.530 3.894 -0.314) 3.943 27.803 ( -1.515 -2.034 1.814) 3.118 27.846 ( 1.744 -0.866 -0.394) 1.987 27.880 ( 0.898 -3.844 -2.601) 4.727 ======================= Grid point 112 (62/64) ======================= q-point: (-0.50 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( 0.964 13.424 6.654) 15.013 1.497 ( -2.299 5.868 -10.888) 12.580 1.612 ( -2.358 -8.277 0.046) 8.606 1.701 ( -4.552 -4.898 -6.474) 9.307 1.795 ( -0.903 4.774 1.798) 5.181 1.861 ( 2.193 0.170 -4.004) 4.569 2.197 ( -2.818 1.518 0.610) 3.259 2.208 ( 0.136 2.006 -0.238) 2.024 2.328 ( 0.616 2.710 2.393) 3.668 2.351 ( -1.838 3.216 0.307) 3.717 2.508 ( -0.001 3.934 4.436) 5.930 2.526 ( 3.261 4.740 2.541) 6.289 2.561 ( 2.301 0.374 2.748) 3.603 2.608 ( 1.986 -1.939 0.464) 2.814 2.661 ( -1.610 0.569 -0.400) 1.754 2.704 ( -4.396 -3.357 -0.981) 5.617 2.861 ( 1.775 2.129 0.685) 2.855 2.894 ( -1.135 -0.013 -4.020) 4.177 2.963 ( -1.415 -0.277 0.546) 1.541 3.002 ( -1.078 -3.168 -3.421) 4.786 3.039 ( -2.082 3.523 2.509) 4.800 3.073 ( 1.445 -0.157 -0.821) 1.669 3.199 ( 1.721 2.425 2.381) 3.809 3.235 ( 0.528 -0.549 -0.173) 0.781 3.296 ( 1.102 0.081 1.071) 1.539 3.318 ( -0.756 0.827 -0.622) 1.282 3.340 ( 3.371 -3.186 5.482) 7.181 3.399 ( 3.453 -4.128 0.332) 5.392 3.530 ( 2.515 4.733 3.850) 6.599 3.561 ( 1.526 1.997 -0.274) 2.528 3.588 ( -4.356 -0.863 -1.297) 4.626 3.607 ( -4.700 -2.400 -0.675) 5.320 3.806 ( 4.259 3.443 5.687) 7.895 3.854 ( 3.963 2.490 -1.242) 4.842 3.864 ( -2.590 1.449 -1.942) 3.547 3.899 ( -1.682 1.404 -1.302) 2.549 3.952 ( 3.099 -4.718 -0.404) 5.659 3.994 ( -2.199 -3.132 0.263) 3.836 4.045 ( -4.992 -1.691 1.192) 5.403 4.069 ( 3.841 -2.655 -1.712) 4.973 4.103 ( -1.374 0.523 3.056) 3.391 4.181 ( 0.622 -5.590 5.633) 7.960 4.219 ( 1.529 5.392 -6.903) 8.892 4.320 ( 0.828 -3.954 -6.276) 7.464 4.383 ( 2.132 1.427 1.792) 3.130 4.403 ( 0.469 -0.447 -0.402) 0.762 4.522 ( -0.541 1.891 2.504) 3.184 4.546 ( -1.318 -0.998 0.519) 1.733 4.609 ( -1.382 3.023 0.366) 3.344 4.634 ( -0.573 0.277 -0.989) 1.176 4.693 ( -0.734 1.182 0.004) 1.391 4.702 ( 1.107 1.038 -1.335) 2.021 4.808 ( 0.532 -0.268 0.394) 0.714 4.837 ( 0.902 -2.794 -2.115) 3.619 5.027 ( 0.444 -1.332 -1.543) 2.086 5.052 ( 0.656 -3.849 -3.865) 5.494 5.245 ( 0.287 2.879 1.602) 3.307 5.283 ( -0.382 1.387 -2.434) 2.827 5.305 ( 0.138 -1.522 0.962) 1.806 5.330 ( -0.172 -1.171 -1.925) 2.260 5.597 ( -3.617 1.311 9.712) 10.447 5.627 ( -5.067 -1.623 9.354) 10.761 5.758 ( 2.576 0.692 -7.469) 7.931 5.776 ( 2.954 -0.924 -6.516) 7.213 6.275 ( -0.113 1.000 0.829) 1.304 6.289 ( 0.098 -0.412 -0.680) 0.801 6.653 ( 0.101 2.254 2.851) 3.635 6.685 ( -0.814 -0.870 -0.452) 1.274 6.838 ( 0.483 2.619 4.631) 5.342 6.875 ( 0.784 -1.260 3.302) 3.620 6.945 ( -0.427 1.624 -4.575) 4.873 6.966 ( -0.519 -0.779 -4.365) 4.464 8.707 ( -1.293 2.199 1.005) 2.742 8.724 ( 0.678 1.071 -0.787) 1.492 8.847 ( -0.557 -2.058 0.414) 2.172 8.868 ( 1.320 -3.702 -1.855) 4.347 9.126 ( -0.459 -0.217 0.960) 1.086 9.130 ( 0.024 -0.614 0.456) 0.765 9.485 ( 0.103 1.632 0.636) 1.755 9.492 ( -0.327 1.036 -0.054) 1.088 10.116 ( -0.046 1.303 0.162) 1.314 10.127 ( 0.740 0.639 -1.057) 1.440 10.179 ( -0.300 0.155 0.462) 0.572 10.196 ( -0.556 -1.032 -1.288) 1.741 10.370 ( 0.004 0.040 0.717) 0.718 10.378 ( 0.332 -0.607 -0.175) 0.714 10.530 ( -0.274 0.349 0.370) 0.577 10.538 ( 0.489 -0.296 -0.523) 0.774 10.831 ( 1.101 0.539 0.102) 1.230 10.832 ( -0.436 0.462 0.058) 0.638 10.909 ( 0.257 0.435 -0.002) 0.505 10.918 ( -0.847 -0.295 -0.782) 1.189 11.238 ( 0.074 2.960 2.038) 3.595 11.266 ( -0.273 0.200 -0.924) 0.985 11.545 ( -0.419 6.149 -0.036) 6.163 11.553 ( 0.733 5.705 -0.846) 5.814 11.688 ( 1.940 -4.431 0.040) 4.837 11.699 ( -2.182 -4.698 -1.188) 5.314 11.861 ( -0.591 -1.546 1.082) 1.978 11.868 ( 1.206 -2.052 0.427) 2.418 12.239 ( 0.491 -0.055 1.067) 1.176 12.248 ( -0.295 -0.973 0.224) 1.041 12.534 ( 1.050 1.441 1.087) 2.088 12.553 ( 0.029 -0.510 -0.723) 0.885 13.442 ( -0.722 2.161 2.683) 3.520 13.489 ( -1.140 -2.510 -1.345) 3.067 13.674 ( -0.237 -0.087 -2.741) 2.752 13.685 ( -1.002 -1.109 -3.242) 3.570 14.176 ( -0.112 -1.072 2.555) 2.773 14.189 ( 0.947 -2.343 1.026) 2.728 14.666 ( -0.143 0.215 0.260) 0.366 14.669 ( 0.094 -0.084 -0.068) 0.143 22.709 ( 0.062 8.215 3.885) 9.087 22.781 ( -0.450 4.812 -3.201) 5.797 22.841 ( 0.387 -1.437 2.026) 2.514 22.892 ( -0.222 -2.956 -2.992) 4.212 23.418 ( 0.020 1.990 0.116) 1.994 23.460 ( 0.755 -1.946 -4.360) 4.834 23.814 ( -0.306 0.864 0.448) 1.020 23.828 ( 0.602 -0.545 -1.195) 1.445 23.923 ( -0.728 -0.016 0.138) 0.741 23.929 ( -0.419 -0.784 -0.540) 1.040 24.351 ( -0.766 0.868 1.384) 1.804 24.360 ( -0.243 -0.015 0.412) 0.478 24.420 ( 0.741 0.415 0.182) 0.869 24.426 ( 1.401 -0.240 -0.237) 1.441 24.474 ( -0.560 0.701 -0.354) 0.965 24.487 ( -0.128 -0.579 -1.397) 1.517 24.889 ( -0.685 3.143 7.014) 7.717 24.948 ( -1.546 -2.197 6.646) 7.168 25.013 ( 0.527 2.907 -3.454) 4.545 25.092 ( 1.772 -4.441 -5.878) 7.578 25.752 ( 0.990 4.166 9.995) 10.874 25.818 ( 1.500 -2.255 7.163) 7.658 26.085 ( -0.603 5.620 -3.533) 6.665 26.197 ( -1.676 -5.443 -11.325) 12.676 27.275 ( 1.354 0.558 1.481) 2.083 27.296 ( -0.294 -0.725 -0.380) 0.870 27.311 ( 1.394 -0.800 0.526) 1.691 27.328 ( -2.139 -1.712 -0.757) 2.842 27.757 ( -0.360 1.316 1.770) 2.235 27.770 ( -1.205 0.046 1.193) 1.696 27.867 ( 0.563 -1.102 -0.960) 1.566 27.894 ( 0.648 -3.217 -3.065) 4.490 ======================= Grid point 113 (63/64) ======================= q-point: (-0.33 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( 3.473 11.957 8.215) 14.917 1.490 ( 2.752 10.629 -8.741) 14.034 1.597 ( 0.746 -5.168 5.321) 7.455 1.674 ( 0.852 -2.800 4.690) 5.528 1.789 ( 0.662 1.875 -2.120) 2.907 1.906 ( 2.776 -5.097 -1.664) 6.038 2.175 ( -0.007 4.501 2.752) 5.276 2.242 ( 3.441 -2.029 2.079) 4.503 2.313 ( -0.668 6.194 0.681) 6.267 2.353 ( 1.282 1.964 3.514) 4.225 2.512 ( -1.894 1.044 -0.848) 2.323 2.525 ( -5.504 0.959 0.437) 5.604 2.607 ( 5.356 4.122 0.338) 6.767 2.655 ( 2.163 2.354 -0.007) 3.197 2.670 ( 4.704 1.280 2.539) 5.497 2.717 ( 0.570 -3.108 2.025) 3.753 2.798 ( -1.961 -0.550 -1.913) 2.794 2.825 ( -3.733 -2.231 -1.678) 4.661 2.981 ( 3.068 2.661 2.664) 4.857 3.001 ( -1.782 3.448 1.518) 4.168 3.046 ( 0.364 -1.100 -0.316) 1.201 3.089 ( 0.106 -3.654 0.884) 3.761 3.212 ( -0.382 1.713 -0.054) 1.756 3.224 ( -2.167 3.163 -0.400) 3.855 3.274 ( -1.600 -0.582 -0.299) 1.728 3.318 ( -0.064 -1.747 -0.642) 1.862 3.379 ( -1.222 -3.159 -5.061) 6.090 3.433 ( -0.326 -5.372 -4.670) 7.125 3.487 ( -2.570 2.588 2.640) 4.503 3.516 ( -2.378 0.123 2.461) 3.425 3.606 ( 3.932 2.478 3.535) 5.840 3.627 ( 2.019 1.997 1.671) 3.295 3.729 ( -7.032 3.374 -3.820) 8.684 3.797 ( -5.633 1.757 -3.889) 7.067 3.839 ( -6.066 -5.054 -4.904) 9.294 3.876 ( -2.757 -1.836 4.045) 5.229 3.902 ( -2.660 -2.461 2.822) 4.592 3.950 ( -1.613 -3.809 0.389) 4.155 4.045 ( 3.150 5.435 0.349) 6.292 4.118 ( 1.148 2.274 0.953) 2.720 4.156 ( 2.966 -3.978 -1.359) 5.145 4.173 ( -0.775 -2.715 2.682) 3.894 4.279 ( 3.762 1.097 -4.250) 5.781 4.302 ( -2.840 -0.219 -6.518) 7.113 4.404 ( 0.401 0.538 -2.712) 2.794 4.421 ( 0.732 -1.144 -2.226) 2.608 4.496 ( -1.754 2.298 3.239) 4.341 4.540 ( 1.013 -1.809 3.074) 3.708 4.573 ( -1.363 2.307 1.127) 2.907 4.616 ( -1.386 -1.519 -0.376) 2.090 4.664 ( -2.166 2.033 0.491) 3.010 4.701 ( -1.062 0.092 -0.377) 1.131 4.804 ( -1.060 -0.055 -1.429) 1.780 4.838 ( -0.511 -2.477 -2.923) 3.866 5.041 ( 0.850 -0.618 -2.136) 2.380 5.071 ( 0.789 -3.480 -3.617) 5.081 5.244 ( -0.208 3.093 1.706) 3.538 5.267 ( -0.716 2.630 -2.916) 3.992 5.309 ( -0.109 -2.445 0.445) 2.487 5.323 ( -0.353 -1.703 -1.630) 2.384 5.565 ( 0.039 0.502 10.657) 10.669 5.586 ( 0.949 -1.417 11.305) 11.433 5.819 ( 3.515 2.104 -5.495) 6.854 5.855 ( 4.765 -1.599 -4.288) 6.606 6.288 ( 1.611 1.836 0.768) 2.561 6.316 ( 2.204 -0.879 -0.500) 2.425 6.658 ( 0.316 1.521 2.977) 3.358 6.682 ( 0.358 -0.724 0.389) 0.897 6.851 ( 0.519 2.777 4.104) 4.982 6.892 ( 0.668 -1.490 1.930) 2.528 6.944 ( 0.841 2.194 -3.894) 4.547 6.980 ( 1.842 -1.331 -3.376) 4.070 8.703 ( 1.109 3.063 0.728) 3.338 8.767 ( 3.146 -2.466 0.318) 4.010 8.841 ( 0.351 1.327 -0.806) 1.591 8.907 ( 2.342 -4.540 -1.368) 5.289 9.130 ( 0.970 0.452 1.331) 1.708 9.144 ( 1.496 -0.996 0.600) 1.895 9.472 ( -1.640 1.532 0.216) 2.254 9.476 ( -1.282 1.044 0.466) 1.717 10.115 ( -0.165 1.565 -0.407) 1.625 10.137 ( 0.095 -0.139 -1.370) 1.381 10.167 ( -0.831 0.406 0.882) 1.278 10.188 ( -0.105 -0.929 -0.137) 0.945 10.385 ( 1.563 0.720 0.337) 1.754 10.402 ( 1.900 -0.872 -0.461) 2.141 10.507 ( -1.487 0.602 -0.209) 1.618 10.532 ( -1.197 -1.487 -0.404) 1.951 10.861 ( 2.696 2.015 -0.644) 3.427 10.878 ( 2.926 0.217 0.793) 3.039 10.886 ( -1.424 0.782 -0.283) 1.649 10.917 ( 0.794 -1.712 -0.763) 2.036 11.227 ( -0.497 4.761 1.065) 4.904 11.286 ( 1.242 -0.805 0.021) 1.480 11.514 ( -1.463 6.034 -0.306) 6.217 11.577 ( 0.348 2.485 -0.917) 2.671 11.655 ( -1.982 -1.900 -1.039) 2.936 11.717 ( 0.912 -3.892 0.549) 4.035 11.819 ( -3.736 -0.151 0.439) 3.764 11.867 ( -1.107 -3.866 -0.162) 4.025 12.242 ( 0.247 0.632 0.207) 0.709 12.264 ( 1.488 -1.467 0.614) 2.178 12.521 ( -2.648 0.670 -1.350) 3.047 12.528 ( -2.260 -0.051 -0.535) 2.323 13.451 ( 1.494 1.423 5.140) 5.539 13.482 ( 0.546 -1.628 0.023) 1.717 13.679 ( 0.639 -0.337 -2.003) 2.129 13.687 ( 1.531 -1.003 -0.944) 2.059 14.164 ( -0.993 0.435 1.401) 1.771 14.203 ( 0.246 -3.632 0.181) 3.645 14.636 ( -2.484 0.982 0.009) 2.671 14.656 ( -1.753 -1.075 0.021) 2.056 22.719 ( 0.656 8.144 4.315) 9.240 22.782 ( 0.721 3.890 -2.596) 4.732 22.854 ( 0.759 -1.084 1.566) 2.050 22.893 ( 0.471 -2.793 -3.100) 4.199 23.427 ( 1.034 2.933 -1.260) 3.356 23.478 ( 1.101 -1.716 -4.872) 5.281 23.799 ( -0.863 1.210 0.037) 1.487 23.838 ( -0.007 -2.557 -1.457) 2.942 23.919 ( 0.566 1.018 1.051) 1.569 23.934 ( 0.880 -0.506 0.585) 1.171 24.315 ( -2.772 0.902 1.323) 3.201 24.327 ( -2.687 -0.324 1.177) 2.951 24.408 ( -0.881 0.785 -1.622) 2.006 24.420 ( -1.405 -0.427 -1.192) 1.891 24.511 ( 3.349 0.946 -0.131) 3.483 24.528 ( 3.193 -0.893 -0.275) 3.327 24.885 ( -0.005 1.925 6.481) 6.761 24.925 ( -1.152 -1.803 7.061) 7.378 25.018 ( 0.135 4.094 -4.328) 5.959 25.112 ( 0.439 -5.164 -5.361) 7.457 25.767 ( 0.017 4.516 8.681) 9.786 25.842 ( 0.579 -2.429 3.795) 4.543 26.112 ( 3.309 4.073 -0.237) 5.253 26.209 ( 3.505 -4.845 -9.681) 11.379 27.223 ( -3.599 1.102 -0.235) 3.771 27.267 ( -3.373 -3.331 -0.995) 4.844 27.336 ( 1.975 0.519 0.550) 2.115 27.353 ( 1.653 -1.131 0.946) 2.215 27.725 ( -1.749 3.015 1.720) 3.886 27.775 ( 0.503 -1.427 2.775) 3.161 27.866 ( -0.766 -0.546 -1.280) 1.589 27.899 ( 0.050 -3.251 -3.591) 4.844 ======================= Grid point 114 (64/64) ======================= q-point: (-0.17 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( 3.378 12.203 8.905) 15.480 1.567 ( 4.739 9.244 -6.133) 12.063 1.663 ( 4.777 -3.553 8.028) 9.995 1.696 ( 2.032 3.556 9.044) 9.928 1.811 ( 0.626 0.262 -1.747) 1.874 1.964 ( 2.536 -5.565 3.348) 6.972 2.181 ( 0.819 4.904 0.816) 5.039 2.295 ( 1.095 -3.089 0.367) 3.298 2.344 ( 3.289 4.670 1.670) 5.951 2.388 ( 1.396 3.401 3.606) 5.150 2.458 ( 0.950 -0.198 2.133) 2.343 2.506 ( 1.662 -0.536 0.473) 1.809 2.598 ( -3.642 0.228 -2.228) 4.276 2.616 ( -3.130 1.741 1.933) 4.070 2.754 ( 2.476 2.632 2.866) 4.612 2.777 ( 1.478 1.086 2.479) 3.083 2.815 ( 1.645 -1.649 -1.536) 2.790 2.824 ( 1.892 -2.170 0.093) 2.881 2.965 ( -2.383 2.278 1.321) 3.552 2.989 ( -3.208 -0.464 -2.334) 3.994 3.051 ( 2.713 0.647 1.576) 3.204 3.089 ( 1.075 -2.512 3.265) 4.258 3.160 ( -3.195 3.200 0.725) 4.580 3.192 ( -1.784 0.106 -3.329) 3.778 3.254 ( 1.226 3.587 -0.556) 3.831 3.311 ( -1.199 -0.521 -1.711) 2.153 3.355 ( -0.013 -2.557 -4.947) 5.569 3.387 ( -3.309 -6.121 -3.865) 7.959 3.454 ( -2.423 3.732 0.564) 4.485 3.501 ( -1.312 0.349 -1.494) 2.019 3.556 ( -7.234 2.809 -6.043) 9.836 3.611 ( -6.763 -2.546 0.632) 7.255 3.663 ( 0.966 0.464 0.483) 1.175 3.714 ( -1.707 3.296 -4.592) 5.905 3.753 ( -1.395 -7.378 -2.969) 8.074 3.793 ( -3.469 -3.888 -1.517) 5.427 3.922 ( 1.584 0.163 7.760) 7.922 3.929 ( -0.151 -1.471 3.070) 3.408 4.075 ( -1.062 4.184 3.416) 5.505 4.119 ( 0.447 1.833 -4.161) 4.569 4.134 ( -2.421 -1.204 1.963) 3.341 4.190 ( 1.382 -1.811 -3.073) 3.825 4.269 ( 0.390 1.793 -5.288) 5.598 4.327 ( 1.304 -1.497 -1.831) 2.701 4.380 ( -3.050 2.549 -3.633) 5.386 4.442 ( 2.721 1.447 -1.514) 3.434 4.474 ( -2.052 0.759 -1.013) 2.411 4.536 ( -1.329 -1.228 -0.066) 1.811 4.575 ( -2.265 -0.857 -0.462) 2.466 4.589 ( 0.803 -2.420 -0.226) 2.560 4.634 ( -0.049 1.600 2.668) 3.111 4.680 ( -0.137 -0.898 1.719) 1.944 4.784 ( -0.633 -0.330 -0.843) 1.105 4.821 ( -1.176 -2.864 -2.406) 3.921 5.048 ( -0.020 -0.248 -1.685) 1.704 5.067 ( -0.752 -2.093 -2.319) 3.213 5.240 ( -0.403 3.482 1.118) 3.679 5.263 ( 0.181 2.852 -2.572) 3.845 5.298 ( -0.826 -1.692 1.003) 2.133 5.317 ( -0.057 -1.836 -1.591) 2.430 5.599 ( 2.591 2.197 11.026) 11.537 5.666 ( 5.601 -4.146 8.713) 11.157 5.864 ( 1.179 3.090 -2.842) 4.361 5.923 ( 2.102 -2.892 -2.630) 4.438 6.328 ( 2.119 2.375 1.347) 3.456 6.358 ( 1.983 -0.404 -0.818) 2.183 6.668 ( 0.428 0.897 3.340) 3.485 6.692 ( 0.672 -1.311 0.062) 1.475 6.859 ( 0.153 2.680 3.462) 4.381 6.901 ( 0.173 -1.404 0.719) 1.587 6.972 ( 1.932 2.343 -2.230) 3.768 7.015 ( 1.638 -1.833 -2.748) 3.687 8.739 ( 2.312 2.736 0.302) 3.594 8.802 ( -0.014 -3.255 -0.105) 3.257 8.877 ( 3.386 1.917 -0.255) 3.899 8.940 ( 0.855 -4.186 -0.433) 4.294 9.167 ( 2.723 1.152 1.440) 3.289 9.188 ( 2.897 -1.032 0.277) 3.088 9.432 ( -2.226 1.648 -0.162) 2.774 9.442 ( -2.283 0.614 0.413) 2.400 10.109 ( -0.288 0.999 -0.201) 1.059 10.124 ( -0.972 -0.573 -0.577) 1.267 10.160 ( -0.172 1.442 0.711) 1.617 10.183 ( -0.581 -0.589 -0.439) 0.936 10.424 ( 2.185 0.522 0.631) 2.333 10.440 ( 1.911 -0.792 -0.626) 2.162 10.487 ( -0.628 -0.404 -0.502) 0.900 10.504 ( -1.482 -1.741 -0.505) 2.342 10.860 ( -0.676 0.830 -1.273) 1.663 10.863 ( -1.763 0.411 1.298) 2.228 10.953 ( 4.473 1.451 -0.219) 4.708 10.977 ( 3.900 -0.901 -1.020) 4.130 11.228 ( 0.619 5.882 0.835) 5.974 11.294 ( -0.342 -0.570 -0.825) 1.059 11.499 ( -0.045 3.652 0.028) 3.652 11.556 ( -2.078 -2.281 -1.342) 3.365 11.628 ( -1.215 3.375 0.559) 3.631 11.716 ( -2.637 5.333 -1.306) 6.091 11.749 ( -1.066 -6.232 1.857) 6.589 11.837 ( -1.875 -5.899 -0.705) 6.230 12.256 ( 1.100 1.645 0.094) 1.981 12.295 ( 1.438 -2.300 0.003) 2.713 12.451 ( -3.794 1.497 -1.985) 4.536 12.472 ( -3.312 -0.630 -0.331) 3.388 13.492 ( 2.009 -0.050 4.923) 5.317 13.509 ( 2.074 -1.733 1.819) 3.258 13.704 ( 1.799 0.278 -0.362) 1.856 13.722 ( 1.989 -1.521 -0.438) 2.541 14.147 ( -0.657 1.370 1.257) 1.972 14.197 ( -0.779 -3.978 -0.603) 4.098 14.586 ( -2.249 0.897 -0.307) 2.441 14.610 ( -2.743 -1.474 -0.363) 3.135 22.734 ( 0.496 7.705 4.856) 9.121 22.800 ( 1.043 2.080 -2.019) 3.081 22.867 ( 0.471 -0.004 0.893) 1.010 22.905 ( 0.818 -2.267 -3.165) 3.978 23.451 ( 1.366 3.171 -3.058) 4.613 23.488 ( 0.031 -0.202 -4.882) 4.886 23.790 ( -0.029 0.196 0.210) 0.288 23.826 ( -0.864 -3.397 -1.453) 3.794 23.942 ( 1.565 1.995 0.970) 2.715 23.961 ( 1.644 0.301 0.157) 1.679 24.265 ( -2.113 0.535 1.002) 2.399 24.277 ( -2.384 -0.592 1.055) 2.673 24.389 ( -1.004 0.284 -1.173) 1.570 24.394 ( -1.082 -0.152 -1.486) 1.845 24.569 ( 2.552 0.701 0.159) 2.651 24.583 ( 2.231 -0.693 -0.202) 2.345 24.892 ( 0.150 1.087 5.787) 5.890 24.919 ( 0.450 -1.379 6.554) 6.713 25.013 ( -0.421 3.719 -4.091) 5.545 25.100 ( -1.349 -4.954 -4.873) 7.079 25.764 ( -0.731 4.739 8.189) 9.490 25.842 ( -0.712 -2.498 2.386) 3.527 26.188 ( 4.081 3.204 1.363) 5.365 26.294 ( 4.833 -6.458 -8.312) 11.583 27.166 ( -1.989 1.205 -0.246) 2.338 27.203 ( -3.080 -2.531 -0.756) 4.058 27.361 ( 0.690 0.396 0.996) 1.275 27.373 ( 0.540 -0.574 0.410) 0.889 27.710 ( 0.331 4.486 2.120) 4.973 27.788 ( 0.669 -2.113 2.872) 3.627 27.836 ( -2.165 0.230 -1.418) 2.598 27.892 ( -0.568 -4.084 -3.708) 5.546 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/30240 10.0 86.274 114.405 177.781 0.000 9.793 0.000 3/30240 20.0 11.034 25.394 30.011 0.000 2.145 0.000 3/30240 30.0 3.809 10.007 11.381 0.000 0.840 0.000 3/30240 40.0 2.103 5.611 6.288 0.000 0.468 0.000 3/30240 50.0 1.444 3.796 4.236 0.000 0.319 0.000 3/30240 60.0 1.109 2.855 3.189 0.000 0.243 0.000 3/30240 70.0 0.907 2.292 2.567 0.000 0.198 0.000 3/30240 80.0 0.771 1.919 2.156 0.000 0.168 0.000 3/30240 90.0 0.674 1.656 1.864 0.000 0.146 0.000 3/30240 100.0 0.601 1.459 1.647 0.000 0.130 0.000 3/30240 110.0 0.543 1.308 1.477 0.000 0.118 0.000 3/30240 120.0 0.497 1.187 1.342 0.000 0.108 0.000 3/30240 130.0 0.459 1.089 1.232 0.000 0.099 0.000 3/30240 140.0 0.427 1.008 1.140 0.000 0.092 0.000 3/30240 150.0 0.401 0.940 1.063 0.000 0.087 0.000 3/30240 160.0 0.378 0.881 0.998 0.000 0.082 0.000 3/30240 170.0 0.358 0.831 0.941 0.000 0.077 0.000 3/30240 180.0 0.340 0.788 0.892 0.000 0.073 0.000 3/30240 190.0 0.325 0.750 0.850 0.000 0.070 0.000 3/30240 200.0 0.311 0.716 0.812 0.000 0.067 0.000 3/30240 210.0 0.299 0.686 0.779 0.000 0.064 0.000 3/30240 220.0 0.288 0.659 0.750 0.000 0.062 0.000 3/30240 230.0 0.278 0.635 0.723 0.000 0.059 0.000 3/30240 240.0 0.269 0.613 0.699 0.000 0.057 0.000 3/30240 250.0 0.261 0.593 0.678 0.000 0.055 0.000 3/30240 260.0 0.253 0.574 0.658 0.000 0.053 0.000 3/30240 270.0 0.247 0.557 0.640 0.000 0.052 0.000 3/30240 280.0 0.240 0.541 0.623 0.000 0.050 0.000 3/30240 290.0 0.234 0.527 0.608 0.000 0.049 0.000 3/30240 300.0 0.228 0.513 0.594 0.000 0.047 0.000 3/30240 310.0 0.223 0.500 0.580 0.000 0.046 0.000 3/30240 320.0 0.218 0.488 0.568 0.000 0.045 0.000 3/30240 330.0 0.214 0.477 0.556 0.000 0.044 0.000 3/30240 340.0 0.209 0.466 0.545 0.000 0.043 0.000 3/30240 350.0 0.205 0.456 0.534 0.000 0.042 0.000 3/30240 360.0 0.201 0.446 0.524 0.000 0.041 0.000 3/30240 370.0 0.197 0.437 0.514 0.000 0.040 0.000 3/30240 380.0 0.193 0.428 0.505 0.000 0.039 0.000 3/30240 390.0 0.190 0.419 0.496 0.000 0.038 0.000 3/30240 400.0 0.187 0.411 0.488 0.000 0.037 0.000 3/30240 410.0 0.183 0.403 0.479 0.000 0.037 0.000 3/30240 420.0 0.180 0.396 0.472 0.000 0.036 0.000 3/30240 430.0 0.177 0.389 0.464 0.000 0.035 0.000 3/30240 440.0 0.174 0.382 0.457 0.000 0.034 0.000 3/30240 450.0 0.172 0.375 0.449 0.000 0.034 0.000 3/30240 460.0 0.169 0.369 0.443 0.000 0.033 0.000 3/30240 470.0 0.166 0.363 0.436 0.000 0.033 0.000 3/30240 480.0 0.164 0.357 0.430 0.000 0.032 0.000 3/30240 490.0 0.161 0.351 0.423 0.000 0.031 0.000 3/30240 500.0 0.159 0.345 0.417 0.000 0.031 0.000 3/30240 510.0 0.157 0.340 0.411 0.000 0.030 0.000 3/30240 520.0 0.154 0.334 0.406 0.000 0.030 0.000 3/30240 530.0 0.152 0.329 0.400 0.000 0.029 0.000 3/30240 540.0 0.150 0.324 0.394 0.000 0.029 0.000 3/30240 550.0 0.148 0.320 0.389 0.000 0.028 0.000 3/30240 560.0 0.146 0.315 0.384 0.000 0.028 0.000 3/30240 570.0 0.144 0.310 0.379 0.000 0.028 0.000 3/30240 580.0 0.142 0.306 0.374 0.000 0.027 0.000 3/30240 590.0 0.140 0.302 0.369 0.000 0.027 0.000 3/30240 600.0 0.139 0.297 0.365 0.000 0.026 0.000 3/30240 610.0 0.137 0.293 0.360 0.000 0.026 0.000 3/30240 620.0 0.135 0.289 0.356 0.000 0.026 0.000 3/30240 630.0 0.133 0.286 0.351 0.000 0.025 0.000 3/30240 640.0 0.132 0.282 0.347 0.000 0.025 0.000 3/30240 650.0 0.130 0.278 0.343 0.000 0.025 0.000 3/30240 660.0 0.129 0.275 0.339 0.000 0.024 0.000 3/30240 670.0 0.127 0.271 0.335 0.000 0.024 0.000 3/30240 680.0 0.126 0.268 0.331 0.000 0.024 0.000 3/30240 690.0 0.124 0.264 0.327 0.000 0.023 0.000 3/30240 700.0 0.123 0.261 0.323 0.000 0.023 0.000 3/30240 710.0 0.121 0.258 0.320 0.000 0.023 0.000 3/30240 720.0 0.120 0.255 0.316 0.000 0.022 0.000 3/30240 730.0 0.119 0.252 0.313 0.000 0.022 0.000 3/30240 740.0 0.117 0.249 0.309 0.000 0.022 0.000 3/30240 750.0 0.116 0.246 0.306 0.000 0.022 0.000 3/30240 760.0 0.115 0.243 0.303 0.000 0.021 0.000 3/30240 770.0 0.114 0.240 0.299 0.000 0.021 0.000 3/30240 780.0 0.112 0.238 0.296 0.000 0.021 0.000 3/30240 790.0 0.111 0.235 0.293 0.000 0.021 0.000 3/30240 800.0 0.110 0.233 0.290 0.000 0.020 0.000 3/30240 810.0 0.109 0.230 0.287 0.000 0.020 0.000 3/30240 820.0 0.108 0.228 0.284 0.000 0.020 0.000 3/30240 830.0 0.107 0.225 0.281 0.000 0.020 0.000 3/30240 840.0 0.106 0.223 0.279 0.000 0.019 0.000 3/30240 850.0 0.105 0.220 0.276 0.000 0.019 0.000 3/30240 860.0 0.104 0.218 0.273 0.000 0.019 0.000 3/30240 870.0 0.103 0.216 0.271 0.000 0.019 0.000 3/30240 880.0 0.102 0.214 0.268 0.000 0.019 0.000 3/30240 890.0 0.101 0.212 0.265 0.000 0.018 0.000 3/30240 900.0 0.100 0.209 0.263 0.000 0.018 0.000 3/30240 910.0 0.099 0.207 0.260 0.000 0.018 0.000 3/30240 920.0 0.098 0.205 0.258 0.000 0.018 0.000 3/30240 930.0 0.097 0.203 0.256 0.000 0.018 0.000 3/30240 940.0 0.096 0.201 0.253 0.000 0.018 0.000 3/30240 950.0 0.095 0.200 0.251 0.000 0.017 0.000 3/30240 960.0 0.094 0.198 0.249 0.000 0.017 0.000 3/30240 970.0 0.093 0.196 0.247 0.000 0.017 0.000 3/30240 980.0 0.093 0.194 0.244 0.000 0.017 0.000 3/30240 990.0 0.092 0.192 0.242 0.000 0.017 0.000 3/30240 1000.0 0.091 0.190 0.240 0.000 0.017 0.000 3/30240 Thermal conductivity related properties were written into "kappa-m675.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 01:07:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|