----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 10:14:33]------------------------- Compiled with OpenMP support (max 48 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: Pna2_1 (33) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 13.239256169999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.575432980000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.808296110000001 Atomic positions (fractional): *1 K 0.37347587036632 0.77511791962704 0.30848204450822 39.098 2 K 0.62652412963368 0.22488208037297 0.80848204450822 39.098 3 K 0.87347587036632 0.72488208037296 0.30848204450822 39.098 4 K 0.12652412963369 0.27511791962704 0.80848204450822 39.098 *5 K 0.10998872103435 0.69579802779940 0.06607583478506 39.098 6 K 0.89001127896565 0.30420197220060 0.56607583478505 39.098 7 K 0.60998872103435 0.80420197220060 0.06607583478506 39.098 8 K 0.39001127896565 0.19579802779940 0.56607583478505 39.098 *9 Sn 0.37245306766597 0.49784128174382 0.01210651729007 118.710 10 Sn 0.62754693233403 0.50215871825618 0.51210651729007 118.710 11 Sn 0.87245306766597 0.00215871825618 0.01210651729007 118.710 12 Sn 0.12754693233403 0.99784128174382 0.51210651729007 118.710 *13 Sn 0.24867796208491 0.25503237141747 0.26312379579323 118.710 14 Sn 0.75132203791509 0.74496762858253 0.76312379579323 118.710 15 Sn 0.74867796208491 0.24496762858253 0.26312379579323 118.710 16 Sn 0.25132203791509 0.75503237141747 0.76312379579323 118.710 *17 P 0.50144744328816 0.34272468369275 0.26175912840147 30.974 18 P 0.49855255671184 0.65727531630725 0.76175912840147 30.974 19 P 0.00144744328816 0.15727531630725 0.26175912840147 30.974 20 P 0.99855255671184 0.84272468369275 0.76175912840147 30.974 *21 P 0.17588306765778 0.50128395381530 0.51511283730497 30.974 22 P 0.82411693234223 0.49871604618470 0.01511283730497 30.974 23 P 0.67588306765777 0.99871604618470 0.51511283730497 30.974 24 P 0.32411693234222 0.00128395381529 0.01511283730497 30.974 *25 O 0.48698753099595 0.48917879881843 0.14982218517014 15.999 26 O 0.51301246900405 0.51082120118157 0.64982218517014 15.999 27 O 0.98698753099595 0.01082120118157 0.14982218517014 15.999 28 O 0.01301246900405 0.98917879881843 0.64982218517014 15.999 *29 O 0.51437573366639 0.48070511045826 0.37822332605014 15.999 30 O 0.48562426633361 0.51929488954174 0.87822332605014 15.999 31 O 0.01437573366639 0.01929488954174 0.37822332605014 15.999 32 O 0.98562426633361 0.98070511045826 0.87822332605014 15.999 *33 O 0.40831963699516 0.20557871208283 0.28371040916550 15.999 34 O 0.59168036300484 0.79442128791717 0.78371040916550 15.999 35 O 0.90831963699516 0.29442128791717 0.28371040916550 15.999 36 O 0.09168036300484 0.70557871208283 0.78371040916550 15.999 *37 O 0.59287815703494 0.20223746735417 0.23956314416155 15.999 38 O 0.40712184296506 0.79776253264583 0.73956314416155 15.999 39 O 0.09287815703494 0.29776253264583 0.23956314416155 15.999 40 O 0.90712184296506 0.70223746735417 0.73956314416155 15.999 *41 O 0.10500275162008 0.31658005609323 0.53637728979994 15.999 42 O 0.89499724837992 0.68341994390677 0.03637728979994 15.999 43 O 0.60500275162008 0.18341994390677 0.53637728979994 15.999 44 O 0.39499724837992 0.81658005609323 0.03637728979994 15.999 *45 O 0.10670715562581 0.68603925116787 0.49177647440518 15.999 46 O 0.89329284437418 0.31396074883213 0.99177647440518 15.999 47 O 0.60670715562582 0.81396074883213 0.49177647440518 15.999 48 O 0.39329284437418 0.18603925116787 0.99177647440518 15.999 *49 O 0.24470350488818 0.52657707859453 0.63017430902144 15.999 50 O 0.75529649511182 0.47342292140547 0.13017430902144 15.999 51 O 0.74470350488818 0.97342292140547 0.63017430902144 15.999 52 O 0.25529649511182 0.02657707859453 0.13017430902144 15.999 *53 O 0.24993602189128 0.46928344345039 0.40626349678523 15.999 54 O 0.75006397810872 0.53071655654961 0.90626349678523 15.999 55 O 0.74993602189128 0.03071655654961 0.40626349678523 15.999 56 O 0.25006397810872 0.96928344345039 0.90626349678523 15.999 *57 O 0.27164436433914 0.48679897958898 0.14993268564324 15.999 58 O 0.72835563566086 0.51320102041102 0.64993268564324 15.999 59 O 0.77164436433914 0.01320102041102 0.14993268564324 15.999 60 O 0.22835563566086 0.98679897958898 0.64993268564324 15.999 *61 O 0.23760486987227 0.03553723457562 0.38879648171462 15.999 62 O 0.76239513012773 0.96446276542438 0.88879648171462 15.999 63 O 0.73760486987227 0.46446276542438 0.38879648171462 15.999 64 O 0.26239513012773 0.53553723457562 0.88879648171462 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 13.239256169999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.575432980000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.808296110000001 Atomic positions (fractional): *1 K 0.37347587036632 0.77511791962704 0.30848204450822 39.098 > 1 2 K 0.62652412963368 0.22488208037297 0.80848204450822 39.098 > 2 3 K 0.87347587036632 0.72488208037296 0.30848204450822 39.098 > 3 4 K 0.12652412963369 0.27511791962704 0.80848204450822 39.098 > 4 *5 K 0.10998872103435 0.69579802779940 0.06607583478506 39.098 > 5 6 K 0.89001127896565 0.30420197220060 0.56607583478505 39.098 > 6 7 K 0.60998872103435 0.80420197220060 0.06607583478506 39.098 > 7 8 K 0.39001127896565 0.19579802779940 0.56607583478505 39.098 > 8 *9 Sn 0.37245306766597 0.49784128174382 0.01210651729007 118.710 > 9 10 Sn 0.62754693233403 0.50215871825618 0.51210651729007 118.710 > 10 11 Sn 0.87245306766597 0.00215871825618 0.01210651729007 118.710 > 11 12 Sn 0.12754693233403 0.99784128174382 0.51210651729007 118.710 > 12 *13 Sn 0.24867796208491 0.25503237141747 0.26312379579323 118.710 > 13 14 Sn 0.75132203791509 0.74496762858253 0.76312379579323 118.710 > 14 15 Sn 0.74867796208491 0.24496762858253 0.26312379579323 118.710 > 15 16 Sn 0.25132203791509 0.75503237141747 0.76312379579323 118.710 > 16 *17 P 0.50144744328816 0.34272468369275 0.26175912840147 30.974 > 17 18 P 0.49855255671184 0.65727531630725 0.76175912840147 30.974 > 18 19 P 0.00144744328816 0.15727531630725 0.26175912840147 30.974 > 19 20 P 0.99855255671184 0.84272468369275 0.76175912840147 30.974 > 20 *21 P 0.17588306765778 0.50128395381530 0.51511283730497 30.974 > 21 22 P 0.82411693234223 0.49871604618470 0.01511283730497 30.974 > 22 23 P 0.67588306765777 0.99871604618470 0.51511283730497 30.974 > 23 24 P 0.32411693234222 0.00128395381529 0.01511283730497 30.974 > 24 *25 O 0.48698753099595 0.48917879881843 0.14982218517014 15.999 > 25 26 O 0.51301246900405 0.51082120118157 0.64982218517014 15.999 > 26 27 O 0.98698753099595 0.01082120118157 0.14982218517014 15.999 > 27 28 O 0.01301246900405 0.98917879881843 0.64982218517014 15.999 > 28 *29 O 0.51437573366639 0.48070511045826 0.37822332605014 15.999 > 29 30 O 0.48562426633361 0.51929488954174 0.87822332605014 15.999 > 30 31 O 0.01437573366639 0.01929488954174 0.37822332605014 15.999 > 31 32 O 0.98562426633361 0.98070511045826 0.87822332605014 15.999 > 32 *33 O 0.40831963699516 0.20557871208283 0.28371040916550 15.999 > 33 34 O 0.59168036300484 0.79442128791717 0.78371040916550 15.999 > 34 35 O 0.90831963699516 0.29442128791717 0.28371040916550 15.999 > 35 36 O 0.09168036300484 0.70557871208283 0.78371040916550 15.999 > 36 *37 O 0.59287815703494 0.20223746735417 0.23956314416155 15.999 > 37 38 O 0.40712184296506 0.79776253264583 0.73956314416155 15.999 > 38 39 O 0.09287815703494 0.29776253264583 0.23956314416155 15.999 > 39 40 O 0.90712184296506 0.70223746735417 0.73956314416155 15.999 > 40 *41 O 0.10500275162008 0.31658005609323 0.53637728979994 15.999 > 41 42 O 0.89499724837992 0.68341994390677 0.03637728979994 15.999 > 42 43 O 0.60500275162008 0.18341994390677 0.53637728979994 15.999 > 43 44 O 0.39499724837992 0.81658005609323 0.03637728979994 15.999 > 44 *45 O 0.10670715562581 0.68603925116787 0.49177647440518 15.999 > 45 46 O 0.89329284437418 0.31396074883213 0.99177647440518 15.999 > 46 47 O 0.60670715562582 0.81396074883213 0.49177647440518 15.999 > 47 48 O 0.39329284437418 0.18603925116787 0.99177647440518 15.999 > 48 *49 O 0.24470350488818 0.52657707859453 0.63017430902144 15.999 > 49 50 O 0.75529649511182 0.47342292140547 0.13017430902144 15.999 > 50 51 O 0.74470350488818 0.97342292140547 0.63017430902144 15.999 > 51 52 O 0.25529649511182 0.02657707859453 0.13017430902144 15.999 > 52 *53 O 0.24993602189128 0.46928344345039 0.40626349678523 15.999 > 53 54 O 0.75006397810872 0.53071655654961 0.90626349678523 15.999 > 54 55 O 0.74993602189128 0.03071655654961 0.40626349678523 15.999 > 55 56 O 0.25006397810872 0.96928344345039 0.90626349678523 15.999 > 56 *57 O 0.27164436433914 0.48679897958898 0.14993268564324 15.999 > 57 58 O 0.72835563566086 0.51320102041102 0.64993268564324 15.999 > 58 59 O 0.77164436433914 0.01320102041102 0.14993268564324 15.999 > 59 60 O 0.22835563566086 0.98679897958898 0.64993268564324 15.999 > 60 *61 O 0.23760486987227 0.03553723457562 0.38879648171462 15.999 > 61 62 O 0.76239513012773 0.96446276542438 0.88879648171462 15.999 > 62 63 O 0.73760486987227 0.46446276542438 0.38879648171462 15.999 > 63 64 O 0.26239513012773 0.53553723457562 0.88879648171462 15.999 > 64 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.239256169999999 0.000000000000000 0.000000000000000 b 0.000000000000000 13.150865960000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.808296110000001 Atomic positions (fractional): *1 K 0.37347587036632 0.38755895981352 0.30848204450822 39.098 > 1 2 K 0.37347587036632 0.88755895981352 0.30848204450822 39.098 > 1 3 K 0.62652412963368 0.11244104018648 0.80848204450822 39.098 > 2 4 K 0.62652412963368 0.61244104018648 0.80848204450822 39.098 > 2 5 K 0.87347587036632 0.36244104018648 0.30848204450822 39.098 > 3 6 K 0.87347587036632 0.86244104018648 0.30848204450822 39.098 > 3 7 K 0.12652412963369 0.13755895981352 0.80848204450822 39.098 > 4 8 K 0.12652412963369 0.63755895981352 0.80848204450822 39.098 > 4 *9 K 0.10998872103435 0.34789901389970 0.06607583478506 39.098 > 5 10 K 0.10998872103435 0.84789901389970 0.06607583478506 39.098 > 5 11 K 0.89001127896565 0.15210098610030 0.56607583478505 39.098 > 6 12 K 0.89001127896565 0.65210098610030 0.56607583478505 39.098 > 6 13 K 0.60998872103435 0.40210098610030 0.06607583478506 39.098 > 7 14 K 0.60998872103435 0.90210098610030 0.06607583478506 39.098 > 7 15 K 0.39001127896565 0.09789901389970 0.56607583478505 39.098 > 8 16 K 0.39001127896565 0.59789901389970 0.56607583478505 39.098 > 8 *17 Sn 0.37245306766597 0.24892064087191 0.01210651729007 118.710 > 9 18 Sn 0.37245306766597 0.74892064087191 0.01210651729007 118.710 > 9 19 Sn 0.62754693233403 0.25107935912809 0.51210651729007 118.710 > 10 20 Sn 0.62754693233403 0.75107935912809 0.51210651729007 118.710 > 10 21 Sn 0.87245306766597 0.00107935912809 0.01210651729007 118.710 > 11 22 Sn 0.87245306766597 0.50107935912809 0.01210651729007 118.710 > 11 23 Sn 0.12754693233403 0.49892064087191 0.51210651729007 118.710 > 12 24 Sn 0.12754693233403 0.99892064087191 0.51210651729007 118.710 > 12 *25 Sn 0.24867796208491 0.12751618570873 0.26312379579323 118.710 > 13 26 Sn 0.24867796208491 0.62751618570873 0.26312379579323 118.710 > 13 27 Sn 0.75132203791509 0.37248381429127 0.76312379579323 118.710 > 14 28 Sn 0.75132203791509 0.87248381429127 0.76312379579323 118.710 > 14 29 Sn 0.74867796208491 0.12248381429127 0.26312379579323 118.710 > 15 30 Sn 0.74867796208491 0.62248381429127 0.26312379579323 118.710 > 15 31 Sn 0.25132203791509 0.37751618570873 0.76312379579323 118.710 > 16 32 Sn 0.25132203791509 0.87751618570873 0.76312379579323 118.710 > 16 *33 P 0.50144744328816 0.17136234184638 0.26175912840147 30.974 > 17 34 P 0.50144744328816 0.67136234184638 0.26175912840147 30.974 > 17 35 P 0.49855255671184 0.32863765815362 0.76175912840147 30.974 > 18 36 P 0.49855255671184 0.82863765815362 0.76175912840147 30.974 > 18 37 P 0.00144744328816 0.07863765815362 0.26175912840147 30.974 > 19 38 P 0.00144744328816 0.57863765815362 0.26175912840147 30.974 > 19 39 P 0.99855255671184 0.42136234184638 0.76175912840147 30.974 > 20 40 P 0.99855255671184 0.92136234184638 0.76175912840147 30.974 > 20 *41 P 0.17588306765778 0.25064197690765 0.51511283730497 30.974 > 21 42 P 0.17588306765778 0.75064197690765 0.51511283730497 30.974 > 21 43 P 0.82411693234223 0.24935802309235 0.01511283730497 30.974 > 22 44 P 0.82411693234223 0.74935802309235 0.01511283730497 30.974 > 22 45 P 0.67588306765777 0.49935802309235 0.51511283730497 30.974 > 23 46 P 0.67588306765777 0.99935802309235 0.51511283730497 30.974 > 23 47 P 0.32411693234222 0.00064197690765 0.01511283730497 30.974 > 24 48 P 0.32411693234222 0.50064197690765 0.01511283730497 30.974 > 24 *49 O 0.48698753099595 0.24458939940921 0.14982218517014 15.999 > 25 50 O 0.48698753099595 0.74458939940921 0.14982218517014 15.999 > 25 51 O 0.51301246900405 0.25541060059079 0.64982218517014 15.999 > 26 52 O 0.51301246900405 0.75541060059079 0.64982218517014 15.999 > 26 53 O 0.98698753099595 0.00541060059079 0.14982218517014 15.999 > 27 54 O 0.98698753099595 0.50541060059079 0.14982218517014 15.999 > 27 55 O 0.01301246900405 0.49458939940921 0.64982218517014 15.999 > 28 56 O 0.01301246900405 0.99458939940921 0.64982218517014 15.999 > 28 *57 O 0.51437573366639 0.24035255522913 0.37822332605014 15.999 > 29 58 O 0.51437573366639 0.74035255522913 0.37822332605014 15.999 > 29 59 O 0.48562426633361 0.25964744477087 0.87822332605014 15.999 > 30 60 O 0.48562426633361 0.75964744477087 0.87822332605014 15.999 > 30 61 O 0.01437573366639 0.00964744477087 0.37822332605014 15.999 > 31 62 O 0.01437573366639 0.50964744477087 0.37822332605014 15.999 > 31 63 O 0.98562426633361 0.49035255522913 0.87822332605014 15.999 > 32 64 O 0.98562426633361 0.99035255522913 0.87822332605014 15.999 > 32 *65 O 0.40831963699516 0.10278935604142 0.28371040916550 15.999 > 33 66 O 0.40831963699516 0.60278935604142 0.28371040916550 15.999 > 33 67 O 0.59168036300484 0.39721064395858 0.78371040916550 15.999 > 34 68 O 0.59168036300484 0.89721064395858 0.78371040916550 15.999 > 34 69 O 0.90831963699516 0.14721064395858 0.28371040916550 15.999 > 35 70 O 0.90831963699516 0.64721064395858 0.28371040916550 15.999 > 35 71 O 0.09168036300484 0.35278935604142 0.78371040916550 15.999 > 36 72 O 0.09168036300484 0.85278935604142 0.78371040916550 15.999 > 36 *73 O 0.59287815703494 0.10111873367708 0.23956314416155 15.999 > 37 74 O 0.59287815703494 0.60111873367708 0.23956314416155 15.999 > 37 75 O 0.40712184296506 0.39888126632292 0.73956314416155 15.999 > 38 76 O 0.40712184296506 0.89888126632292 0.73956314416155 15.999 > 38 77 O 0.09287815703494 0.14888126632292 0.23956314416155 15.999 > 39 78 O 0.09287815703494 0.64888126632292 0.23956314416155 15.999 > 39 79 O 0.90712184296506 0.35111873367708 0.73956314416155 15.999 > 40 80 O 0.90712184296506 0.85111873367708 0.73956314416155 15.999 > 40 *81 O 0.10500275162008 0.15829002804661 0.53637728979994 15.999 > 41 82 O 0.10500275162008 0.65829002804661 0.53637728979994 15.999 > 41 83 O 0.89499724837992 0.34170997195339 0.03637728979994 15.999 > 42 84 O 0.89499724837992 0.84170997195339 0.03637728979994 15.999 > 42 85 O 0.60500275162008 0.09170997195339 0.53637728979994 15.999 > 43 86 O 0.60500275162008 0.59170997195339 0.53637728979994 15.999 > 43 87 O 0.39499724837992 0.40829002804661 0.03637728979994 15.999 > 44 88 O 0.39499724837992 0.90829002804661 0.03637728979994 15.999 > 44 *89 O 0.10670715562581 0.34301962558394 0.49177647440518 15.999 > 45 90 O 0.10670715562581 0.84301962558394 0.49177647440518 15.999 > 45 91 O 0.89329284437418 0.15698037441606 0.99177647440518 15.999 > 46 92 O 0.89329284437418 0.65698037441606 0.99177647440518 15.999 > 46 93 O 0.60670715562582 0.40698037441606 0.49177647440518 15.999 > 47 94 O 0.60670715562582 0.90698037441606 0.49177647440518 15.999 > 47 95 O 0.39329284437418 0.09301962558394 0.99177647440518 15.999 > 48 96 O 0.39329284437418 0.59301962558394 0.99177647440518 15.999 > 48 *97 O 0.24470350488818 0.26328853929726 0.63017430902144 15.999 > 49 98 O 0.24470350488818 0.76328853929726 0.63017430902144 15.999 > 49 99 O 0.75529649511182 0.23671146070274 0.13017430902144 15.999 > 50 100 O 0.75529649511182 0.73671146070274 0.13017430902144 15.999 > 50 101 O 0.74470350488818 0.48671146070274 0.63017430902144 15.999 > 51 102 O 0.74470350488818 0.98671146070274 0.63017430902144 15.999 > 51 103 O 0.25529649511182 0.01328853929726 0.13017430902144 15.999 > 52 104 O 0.25529649511182 0.51328853929726 0.13017430902144 15.999 > 52 *105 O 0.24993602189128 0.23464172172520 0.40626349678523 15.999 > 53 106 O 0.24993602189128 0.73464172172520 0.40626349678523 15.999 > 53 107 O 0.75006397810872 0.26535827827480 0.90626349678523 15.999 > 54 108 O 0.75006397810872 0.76535827827480 0.90626349678523 15.999 > 54 109 O 0.74993602189128 0.01535827827480 0.40626349678523 15.999 > 55 110 O 0.74993602189128 0.51535827827480 0.40626349678523 15.999 > 55 111 O 0.25006397810872 0.48464172172520 0.90626349678523 15.999 > 56 112 O 0.25006397810872 0.98464172172520 0.90626349678523 15.999 > 56 *113 O 0.27164436433914 0.24339948979449 0.14993268564324 15.999 > 57 114 O 0.27164436433914 0.74339948979449 0.14993268564324 15.999 > 57 115 O 0.72835563566086 0.25660051020551 0.64993268564324 15.999 > 58 116 O 0.72835563566086 0.75660051020551 0.64993268564324 15.999 > 58 117 O 0.77164436433914 0.00660051020551 0.14993268564324 15.999 > 59 118 O 0.77164436433914 0.50660051020551 0.14993268564324 15.999 > 59 119 O 0.22835563566086 0.49339948979449 0.64993268564324 15.999 > 60 120 O 0.22835563566086 0.99339948979449 0.64993268564324 15.999 > 60 *121 O 0.23760486987227 0.01776861728781 0.38879648171462 15.999 > 61 122 O 0.23760486987227 0.51776861728781 0.38879648171462 15.999 > 61 123 O 0.76239513012773 0.48223138271219 0.88879648171462 15.999 > 62 124 O 0.76239513012773 0.98223138271219 0.88879648171462 15.999 > 62 125 O 0.73760486987227 0.23223138271219 0.38879648171462 15.999 > 63 126 O 0.73760486987227 0.73223138271219 0.38879648171462 15.999 > 63 127 O 0.26239513012773 0.26776861728781 0.88879648171462 15.999 > 64 128 O 0.26239513012773 0.76776861728781 0.88879648171462 15.999 > 64 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8183058 0.0000000 0.0000000 0.0000000 2.8447062 0.0000000 0.0000000 0.0000000 2.9444303 -------------------------- Born effective charges -------------------------- 1 K 1.1424335 -0.0948882 -0.0149650 -0.0965632 1.4009564 0.0198358 -0.0198884 -0.0058020 1.1198419 2 K 1.1424335 -0.0948882 0.0149650 -0.0965632 1.4009564 -0.0198358 0.0198884 0.0058020 1.1198419 3 K 1.1424335 0.0948882 -0.0149650 0.0965632 1.4009564 -0.0198358 -0.0198884 0.0058020 1.1198419 4 K 1.1424335 0.0948882 0.0149650 0.0965632 1.4009564 0.0198358 0.0198884 -0.0058020 1.1198419 5 K 1.3992551 -0.1012527 0.0011474 -0.0933558 1.1829278 -0.0727698 -0.0018153 -0.0335755 1.1289555 6 K 1.3992551 -0.1012527 -0.0011474 -0.0933558 1.1829278 0.0727698 0.0018153 0.0335755 1.1289555 7 K 1.3992551 0.1012527 0.0011474 0.0933558 1.1829278 0.0727698 -0.0018153 0.0335755 1.1289555 8 K 1.3992551 0.1012527 -0.0011474 0.0933558 1.1829278 -0.0727698 0.0018153 -0.0335755 1.1289555 9 Sn 3.5346651 0.0075303 -0.0335355 -0.0123191 4.3101419 -0.7558157 0.0487074 -0.3166181 4.3853525 10 Sn 3.5346651 0.0075303 0.0335355 -0.0123191 4.3101419 0.7558157 -0.0487074 0.3166181 4.3853525 11 Sn 3.5346651 -0.0075303 -0.0335355 0.0123191 4.3101419 0.7558157 0.0487074 0.3166181 4.3853525 12 Sn 3.5346651 -0.0075303 0.0335355 0.0123191 4.3101419 -0.7558157 -0.0487074 -0.3166181 4.3853525 13 Sn 4.3269506 0.0590781 -0.6260800 0.3963824 3.5387580 0.2320836 -0.3246607 0.0789562 4.3179705 14 Sn 4.3269506 0.0590781 0.6260800 0.3963824 3.5387580 -0.2320836 0.3246607 -0.0789562 4.3179705 15 Sn 4.3269506 -0.0590781 -0.6260800 -0.3963824 3.5387580 -0.2320836 -0.3246607 -0.0789562 4.3179705 16 Sn 4.3269506 -0.0590781 0.6260800 -0.3963824 3.5387580 0.2320836 0.3246607 0.0789562 4.3179705 17 P 4.0386049 -0.1075184 0.7808023 -0.0256464 2.8314112 -0.0786390 0.2812249 -0.0672162 3.5540412 18 P 4.0386049 -0.1075184 -0.7808023 -0.0256464 2.8314112 0.0786390 -0.2812249 0.0672162 3.5540412 19 P 4.0386049 0.1075184 0.7808023 0.0256464 2.8314112 0.0786390 0.2812249 0.0672162 3.5540412 20 P 4.0386049 0.1075184 -0.7808023 0.0256464 2.8314112 -0.0786390 -0.2812249 -0.0672162 3.5540412 21 P 2.7954762 -0.0110344 -0.0598074 -0.0835243 4.0568840 0.5722785 -0.1187145 0.2858825 3.5567739 22 P 2.7954762 -0.0110344 0.0598074 -0.0835243 4.0568840 -0.5722785 0.1187145 -0.2858825 3.5567739 23 P 2.7954762 0.0110344 -0.0598074 0.0835243 4.0568840 -0.5722785 -0.1187145 -0.2858825 3.5567739 24 P 2.7954762 0.0110344 0.0598074 0.0835243 4.0568840 0.5722785 0.1187145 0.2858825 3.5567739 25 O -1.6143624 0.2771786 -0.8080474 0.0444280 -1.4251738 0.5851939 -0.4401018 0.7863933 -2.2395633 26 O -1.6143624 0.2771786 0.8080474 0.0444280 -1.4251738 -0.5851939 0.4401018 -0.7863933 -2.2395633 27 O -1.6143624 -0.2771786 -0.8080474 -0.0444280 -1.4251738 -0.5851939 -0.4401018 -0.7863933 -2.2395633 28 O -1.6143624 -0.2771786 0.8080474 -0.0444280 -1.4251738 0.5851939 0.4401018 0.7863933 -2.2395633 29 O -1.6378909 -0.2409651 -0.9115066 -0.0067501 -1.3220266 -0.4848795 -0.4946851 -0.6924486 -2.3277638 30 O -1.6378909 -0.2409651 0.9115066 -0.0067501 -1.3220266 0.4848795 0.4946851 0.6924486 -2.3277638 31 O -1.6378909 0.2409651 -0.9115066 0.0067501 -1.3220266 0.4848795 -0.4946851 0.6924486 -2.3277638 32 O -1.6378909 0.2409651 0.9115066 0.0067501 -1.3220266 -0.4848795 0.4946851 -0.6924486 -2.3277638 33 O -2.7840705 -0.6686360 0.0395846 -0.4931847 -1.3416396 0.1304133 -0.0891403 0.1069661 -1.1980498 34 O -2.7840705 -0.6686360 -0.0395846 -0.4931847 -1.3416396 -0.1304133 0.0891403 -0.1069661 -1.1980498 35 O -2.7840705 0.6686360 0.0395846 0.4931847 -1.3416396 -0.1304133 -0.0891403 -0.1069661 -1.1980498 36 O -2.7840705 0.6686360 -0.0395846 0.4931847 -1.3416396 0.1304133 0.0891403 0.1069661 -1.1980498 37 O -2.8479806 0.6987612 0.0125839 0.4841415 -1.2505039 -0.1239628 -0.0911420 -0.1173546 -1.1249155 38 O -2.8479806 0.6987612 -0.0125839 0.4841415 -1.2505039 0.1239628 0.0911420 0.1173546 -1.1249155 39 O -2.8479806 -0.6987612 0.0125839 -0.4841415 -1.2505039 0.1239628 -0.0911420 0.1173546 -1.1249155 40 O -2.8479806 -0.6987612 -0.0125839 -0.4841415 -1.2505039 -0.1239628 0.0911420 -0.1173546 -1.1249155 41 O -1.3666284 -0.4455298 0.1015341 -0.6536376 -2.7505361 0.0621090 0.0788641 -0.1022944 -1.2262885 42 O -1.3666284 -0.4455298 -0.1015341 -0.6536376 -2.7505361 -0.0621090 -0.0788641 0.1022944 -1.2262885 43 O -1.3666284 0.4455298 0.1015341 0.6536376 -2.7505361 -0.0621090 0.0788641 0.1022944 -1.2262885 44 O -1.3666284 0.4455298 -0.1015341 0.6536376 -2.7505361 0.0621090 -0.0788641 -0.1022944 -1.2262885 45 O -1.2166909 0.4283886 -0.0917812 0.6610254 -2.8372769 0.0784080 -0.0584047 -0.0917438 -1.1331779 46 O -1.2166909 0.4283886 0.0917812 0.6610254 -2.8372769 -0.0784080 0.0584047 0.0917438 -1.1331779 47 O -1.2166909 -0.4283886 -0.0917812 -0.6610254 -2.8372769 -0.0784080 -0.0584047 0.0917438 -1.1331779 48 O -1.2166909 -0.4283886 0.0917812 -0.6610254 -2.8372769 0.0784080 0.0584047 -0.0917438 -1.1331779 49 O -1.2996535 -0.0532621 -0.5002138 -0.1854494 -1.5825850 -0.7382788 -0.6832768 -0.5636335 -2.4189157 50 O -1.2996535 -0.0532621 0.5002138 -0.1854494 -1.5825850 0.7382788 0.6832768 0.5636335 -2.4189157 51 O -1.2996535 0.0532621 -0.5002138 0.1854494 -1.5825850 0.7382788 -0.6832768 0.5636335 -2.4189157 52 O -1.2996535 0.0532621 0.5002138 0.1854494 -1.5825850 -0.7382788 0.6832768 -0.5636335 -2.4189157 53 O -1.3599123 0.0552060 0.5786879 0.2007808 -1.5453462 -0.6929242 0.8045305 -0.4984010 -2.3784790 54 O -1.3599123 0.0552060 -0.5786879 0.2007808 -1.5453462 0.6929242 -0.8045305 0.4984010 -2.3784790 55 O -1.3599123 -0.0552060 0.5786879 -0.2007808 -1.5453462 0.6929242 0.8045305 0.4984010 -2.3784790 56 O -1.3599123 -0.0552060 -0.5786879 -0.2007808 -1.5453462 -0.6929242 -0.8045305 -0.4984010 -2.3784790 57 O -1.5222450 -0.0636967 0.3156383 -0.1607312 -1.6477294 0.4699695 0.3593644 0.4460845 -2.0068930 58 O -1.5222450 -0.0636967 -0.3156383 -0.1607312 -1.6477294 -0.4699695 -0.3593644 -0.4460845 -2.0068930 59 O -1.5222450 0.0636967 0.3156383 0.1607312 -1.6477294 -0.4699695 0.3593644 -0.4460845 -2.0068930 60 O -1.5222450 0.0636967 -0.3156383 0.1607312 -1.6477294 0.4699695 -0.3593644 0.4460845 -2.0068930 61 O -1.5879508 -0.0762364 0.3850702 -0.1188899 -1.6182617 0.4364033 0.4568814 0.3989064 -2.0088889 62 O -1.5879508 -0.0762364 -0.3850702 -0.1188899 -1.6182617 -0.4364033 -0.4568814 -0.3989064 -2.0088889 63 O -1.5879508 0.0762364 0.3850702 0.1188899 -1.6182617 -0.4364033 0.4568814 -0.3989064 -2.0088889 64 O -1.5879508 0.0762364 -0.3850702 0.1188899 -1.6182617 0.4364033 -0.4568814 0.3989064 -2.0088889 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 37056/37056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 9360 Number of blocks in projector: 9360 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: 2048 Use submatrix version of eigh solver. (1) Block: 500 / 2048 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1000 / 2048 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1500 / 2048 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 2048 / 2048 (2) Block: 250 / 548 (2) 232 eigenvectors found. (2) Block: 548 / 548 (2) 276 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 523 eigenvectors found. (1) Complementary block size: 109 (1) Compute compressed projector. (1) Use standard solver. (1) 77 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2048 Use submatrix version of eigh solver. (1) Block: 500 / 2048 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 63 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1000 / 2048 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1500 / 2048 (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: 2048 / 2048 (2) Block: 250 / 548 (2) 232 eigenvectors found. (2) Block: 548 / 548 (2) 275 eigenvectors found. (2) Complementary block size: 41 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 523 eigenvectors found. (1) Complementary block size: 111 (1) Compute compressed projector. (1) Use standard solver. (1) 79 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2048 Use submatrix version of eigh solver. (1) Block: 500 / 2048 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 63 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1000 / 2048 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1500 / 2048 (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: 2048 / 2048 (2) Block: 250 / 548 (2) 232 eigenvectors found. (2) Block: 548 / 548 (2) 284 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 530 eigenvectors found. (1) Complementary block size: 104 (1) Compute compressed projector. (1) Use standard solver. (1) 72 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1072 Use submatrix version of eigh solver. (1) Block: 500 / 1072 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1072 / 1072 (2) Block: 250 / 572 (2) 237 eigenvectors found. (2) Block: 500 / 572 (2) 240 eigenvectors found. (2) Block: 572 / 572 (2) 67 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 559 eigenvectors found. (1) Complementary block size: 29 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1072 Use submatrix version of eigh solver. (1) Block: 500 / 1072 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1072 / 1072 (2) Block: 250 / 572 (2) 237 eigenvectors found. (2) Block: 500 / 572 (2) 240 eigenvectors found. (2) Block: 572 / 572 (2) 67 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 559 eigenvectors found. (1) Complementary block size: 29 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1072 Use submatrix version of eigh solver. (1) Block: 500 / 1072 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1072 / 1072 (2) Block: 250 / 572 (2) 237 eigenvectors found. (2) Block: 500 / 572 (2) 240 eigenvectors found. (2) Block: 572 / 572 (2) 67 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 559 eigenvectors found. (1) Complementary block size: 29 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. Tree of FC basis block matrices: - (9360, 9216), data: False |-- (1072, 1056), data: False |-- (1072, 13), data: (1072, 29) @ (29, 13) |-- (572, 559), data: False |-- (572, 15), data: (572, 28) @ (28, 15) |-- (72, 67), data: True |-- (250, 240), data: True |-- (250, 237), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True |-- (1072, 1056), data: False |-- (1072, 13), data: (1072, 29) @ (29, 13) |-- (572, 559), data: False |-- (572, 15), data: (572, 28) @ (28, 15) |-- (72, 67), data: True |-- (250, 240), data: True |-- (250, 237), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True |-- (1072, 1056), data: False |-- (1072, 13), data: (1072, 29) @ (29, 13) |-- (572, 559), data: False |-- (572, 15), data: (572, 28) @ (28, 15) |-- (72, 67), data: True |-- (250, 240), data: True |-- (250, 237), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True |-- (2048, 2016), data: False |-- (2048, 72), data: (2048, 104) @ (104, 72) |-- (548, 530), data: False |-- (548, 14), data: (548, 32) @ (32, 14) |-- (298, 284), 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 |-- (500, 470), data: False |-- (500, 26), data: (500, 56) @ (56, 26) |-- (250, 224), data: True |-- (250, 220), data: True |-- (500, 468), data: False |-- (500, 31), data: (500, 63) @ (63, 31) |-- (250, 218), data: True |-- (250, 219), data: True |-- (2048, 2016), data: False |-- (2048, 79), data: (2048, 111) @ (111, 79) |-- (548, 523), data: False |-- (548, 16), data: (548, 41) @ (41, 16) |-- (298, 275), 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 |-- (500, 470), data: False |-- (500, 26), data: (500, 56) @ (56, 26) |-- (250, 224), data: True |-- (250, 220), data: True |-- (500, 468), data: False |-- (500, 31), data: (500, 63) @ (63, 31) |-- (250, 218), data: True |-- (250, 219), data: True |-- (2048, 2016), data: False |-- (2048, 77), data: (2048, 109) @ (109, 77) |-- (548, 523), data: False |-- (548, 15), data: (548, 40) @ (40, 15) |-- (298, 276), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 20), data: (500, 44) @ (44, 20) |-- (250, 230), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True |-- (500, 468), data: False |-- (500, 30), data: (500, 62) @ (62, 30) |-- (250, 220), data: True |-- (250, 218), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 1920 - Time: 3.177 Solver_block: 200 / 1920 - Time: 2.863 Solver_block: 300 / 1920 - Time: 2.867 Solver_block: 400 / 1920 - Time: 2.867 Solver_block: 500 / 1920 - Time: 2.870 Solver_block: 600 / 1920 - Time: 2.867 Solver_block: 700 / 1920 - Time: 2.866 Solver_block: 800 / 1920 - Time: 2.868 Solver_block: 900 / 1920 - Time: 2.872 Solver_block: 1000 / 1920 - Time: 2.871 Solver_block: 1100 / 1920 - Time: 2.868 Solver_block: 1200 / 1920 - Time: 2.868 Solver_block: 1300 / 1920 - Time: 2.866 Solver_block: 1400 / 1920 - Time: 2.867 Solver_block: 1500 / 1920 - Time: 2.866 Solver_block: 1600 / 1920 - Time: 2.867 Solver_block: 1700 / 1920 - Time: 2.866 Solver_block: 1800 / 1920 - Time: 2.870 Solver_block: 1900 / 1920 - Time: 2.869 Solver_block: 1920 / 1920 - Time: 0.778 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 57.348 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 384/384 Permutation basis: 37056/37056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 9360 Number of blocks in projector: 9360 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: 2048 Use submatrix version of eigh solver. (1) Block: 500 / 2048 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1000 / 2048 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1500 / 2048 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 2048 / 2048 (2) Block: 250 / 548 (2) 232 eigenvectors found. (2) Block: 548 / 548 (2) 276 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 523 eigenvectors found. (1) Complementary block size: 109 (1) Compute compressed projector. (1) Use standard solver. (1) 77 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2048 Use submatrix version of eigh solver. (1) Block: 500 / 2048 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 63 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1000 / 2048 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1500 / 2048 (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: 2048 / 2048 (2) Block: 250 / 548 (2) 232 eigenvectors found. (2) Block: 548 / 548 (2) 275 eigenvectors found. (2) Complementary block size: 41 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 523 eigenvectors found. (1) Complementary block size: 111 (1) Compute compressed projector. (1) Use standard solver. (1) 79 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2048 Use submatrix version of eigh solver. (1) Block: 500 / 2048 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 63 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1000 / 2048 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1500 / 2048 (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: 2048 / 2048 (2) Block: 250 / 548 (2) 232 eigenvectors found. (2) Block: 548 / 548 (2) 284 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 530 eigenvectors found. (1) Complementary block size: 104 (1) Compute compressed projector. (1) Use standard solver. (1) 72 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1072 Use submatrix version of eigh solver. (1) Block: 500 / 1072 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1072 / 1072 (2) Block: 250 / 572 (2) 237 eigenvectors found. (2) Block: 500 / 572 (2) 240 eigenvectors found. (2) Block: 572 / 572 (2) 67 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 559 eigenvectors found. (1) Complementary block size: 29 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1072 Use submatrix version of eigh solver. (1) Block: 500 / 1072 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1072 / 1072 (2) Block: 250 / 572 (2) 237 eigenvectors found. (2) Block: 500 / 572 (2) 240 eigenvectors found. (2) Block: 572 / 572 (2) 67 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 559 eigenvectors found. (1) Complementary block size: 29 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1072 Use submatrix version of eigh solver. (1) Block: 500 / 1072 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1072 / 1072 (2) Block: 250 / 572 (2) 237 eigenvectors found. (2) Block: 500 / 572 (2) 240 eigenvectors found. (2) Block: 572 / 572 (2) 67 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 559 eigenvectors found. (1) Complementary block size: 29 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. Tree of FC basis block matrices: - (9360, 9216), data: False |-- (1072, 1056), data: False |-- (1072, 13), data: (1072, 29) @ (29, 13) |-- (572, 559), data: False |-- (572, 15), data: (572, 28) @ (28, 15) |-- (72, 67), data: True |-- (250, 240), data: True |-- (250, 237), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True |-- (1072, 1056), data: False |-- (1072, 13), data: (1072, 29) @ (29, 13) |-- (572, 559), data: False |-- (572, 15), data: (572, 28) @ (28, 15) |-- (72, 67), data: True |-- (250, 240), data: True |-- (250, 237), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True |-- (1072, 1056), data: False |-- (1072, 13), data: (1072, 29) @ (29, 13) |-- (572, 559), data: False |-- (572, 15), data: (572, 28) @ (28, 15) |-- (72, 67), data: True |-- (250, 240), data: True |-- (250, 237), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True |-- (2048, 2016), data: False |-- (2048, 72), data: (2048, 104) @ (104, 72) |-- (548, 530), data: False |-- (548, 14), data: (548, 32) @ (32, 14) |-- (298, 284), 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 |-- (500, 470), data: False |-- (500, 26), data: (500, 56) @ (56, 26) |-- (250, 224), data: True |-- (250, 220), data: True |-- (500, 468), data: False |-- (500, 31), data: (500, 63) @ (63, 31) |-- (250, 218), data: True |-- (250, 219), data: True |-- (2048, 2016), data: False |-- (2048, 79), data: (2048, 111) @ (111, 79) |-- (548, 523), data: False |-- (548, 16), data: (548, 41) @ (41, 16) |-- (298, 275), 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 |-- (500, 470), data: False |-- (500, 26), data: (500, 56) @ (56, 26) |-- (250, 224), data: True |-- (250, 220), data: True |-- (500, 468), data: False |-- (500, 31), data: (500, 63) @ (63, 31) |-- (250, 218), data: True |-- (250, 219), data: True |-- (2048, 2016), data: False |-- (2048, 77), data: (2048, 109) @ (109, 77) |-- (548, 523), data: False |-- (548, 15), data: (548, 40) @ (40, 15) |-- (298, 276), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 20), data: (500, 44) @ (44, 20) |-- (250, 230), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True |-- (500, 468), data: False |-- (500, 30), data: (500, 62) @ (62, 30) |-- (250, 220), data: True |-- (250, 218), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 10:16:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:16:49]------------------------- Compiled with OpenMP support (max 48 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: Pna2_1 (33) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 13.239256169999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.575432980000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.808296110000001 Atomic positions (fractional): 1 K 0.37347587036632 0.77511791962704 0.30848204450822 39.098 2 K 0.62652412963368 0.22488208037297 0.80848204450822 39.098 3 K 0.87347587036632 0.72488208037296 0.30848204450822 39.098 4 K 0.12652412963369 0.27511791962704 0.80848204450822 39.098 5 K 0.10998872103435 0.69579802779940 0.06607583478506 39.098 6 K 0.89001127896565 0.30420197220060 0.56607583478505 39.098 7 K 0.60998872103435 0.80420197220060 0.06607583478506 39.098 8 K 0.39001127896565 0.19579802779940 0.56607583478505 39.098 9 Sn 0.37245306766597 0.49784128174382 0.01210651729007 118.710 10 Sn 0.62754693233403 0.50215871825618 0.51210651729007 118.710 11 Sn 0.87245306766597 0.00215871825618 0.01210651729007 118.710 12 Sn 0.12754693233403 0.99784128174382 0.51210651729007 118.710 13 Sn 0.24867796208491 0.25503237141747 0.26312379579323 118.710 14 Sn 0.75132203791509 0.74496762858253 0.76312379579323 118.710 15 Sn 0.74867796208491 0.24496762858253 0.26312379579323 118.710 16 Sn 0.25132203791509 0.75503237141747 0.76312379579323 118.710 17 P 0.50144744328816 0.34272468369275 0.26175912840147 30.974 18 P 0.49855255671184 0.65727531630725 0.76175912840147 30.974 19 P 0.00144744328816 0.15727531630725 0.26175912840147 30.974 20 P 0.99855255671184 0.84272468369275 0.76175912840147 30.974 21 P 0.17588306765778 0.50128395381530 0.51511283730497 30.974 22 P 0.82411693234223 0.49871604618470 0.01511283730497 30.974 23 P 0.67588306765777 0.99871604618470 0.51511283730497 30.974 24 P 0.32411693234222 0.00128395381529 0.01511283730497 30.974 25 O 0.48698753099595 0.48917879881843 0.14982218517014 15.999 26 O 0.51301246900405 0.51082120118157 0.64982218517014 15.999 27 O 0.98698753099595 0.01082120118157 0.14982218517014 15.999 28 O 0.01301246900405 0.98917879881843 0.64982218517014 15.999 29 O 0.51437573366639 0.48070511045826 0.37822332605014 15.999 30 O 0.48562426633361 0.51929488954174 0.87822332605014 15.999 31 O 0.01437573366639 0.01929488954174 0.37822332605014 15.999 32 O 0.98562426633361 0.98070511045826 0.87822332605014 15.999 33 O 0.40831963699516 0.20557871208283 0.28371040916550 15.999 34 O 0.59168036300484 0.79442128791717 0.78371040916550 15.999 35 O 0.90831963699516 0.29442128791717 0.28371040916550 15.999 36 O 0.09168036300484 0.70557871208283 0.78371040916550 15.999 37 O 0.59287815703494 0.20223746735417 0.23956314416155 15.999 38 O 0.40712184296506 0.79776253264583 0.73956314416155 15.999 39 O 0.09287815703494 0.29776253264583 0.23956314416155 15.999 40 O 0.90712184296506 0.70223746735417 0.73956314416155 15.999 41 O 0.10500275162008 0.31658005609323 0.53637728979994 15.999 42 O 0.89499724837992 0.68341994390677 0.03637728979994 15.999 43 O 0.60500275162008 0.18341994390677 0.53637728979994 15.999 44 O 0.39499724837992 0.81658005609323 0.03637728979994 15.999 45 O 0.10670715562581 0.68603925116787 0.49177647440518 15.999 46 O 0.89329284437418 0.31396074883213 0.99177647440518 15.999 47 O 0.60670715562582 0.81396074883213 0.49177647440518 15.999 48 O 0.39329284437418 0.18603925116787 0.99177647440518 15.999 49 O 0.24470350488818 0.52657707859453 0.63017430902144 15.999 50 O 0.75529649511182 0.47342292140547 0.13017430902144 15.999 51 O 0.74470350488818 0.97342292140547 0.63017430902144 15.999 52 O 0.25529649511182 0.02657707859453 0.13017430902144 15.999 53 O 0.24993602189128 0.46928344345039 0.40626349678523 15.999 54 O 0.75006397810872 0.53071655654961 0.90626349678523 15.999 55 O 0.74993602189128 0.03071655654961 0.40626349678523 15.999 56 O 0.25006397810872 0.96928344345039 0.90626349678523 15.999 57 O 0.27164436433914 0.48679897958898 0.14993268564324 15.999 58 O 0.72835563566086 0.51320102041102 0.64993268564324 15.999 59 O 0.77164436433914 0.01320102041102 0.14993268564324 15.999 60 O 0.22835563566086 0.98679897958898 0.64993268564324 15.999 61 O 0.23760486987227 0.03553723457562 0.38879648171462 15.999 62 O 0.76239513012773 0.96446276542438 0.88879648171462 15.999 63 O 0.73760486987227 0.46446276542438 0.38879648171462 15.999 64 O 0.26239513012773 0.53553723457562 0.88879648171462 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.239256169999999 0.000000000000000 0.000000000000000 b 0.000000000000000 13.150865960000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.808296110000001 Atomic positions (fractional): 1 K 0.37347587036632 0.38755895981352 0.30848204450822 39.098 > 1 2 K 0.37347587036632 0.88755895981352 0.30848204450822 39.098 > 1 3 K 0.62652412963368 0.11244104018648 0.80848204450822 39.098 > 3 4 K 0.62652412963368 0.61244104018648 0.80848204450822 39.098 > 3 5 K 0.87347587036632 0.36244104018648 0.30848204450822 39.098 > 5 6 K 0.87347587036632 0.86244104018648 0.30848204450822 39.098 > 5 7 K 0.12652412963369 0.13755895981352 0.80848204450822 39.098 > 7 8 K 0.12652412963369 0.63755895981352 0.80848204450822 39.098 > 7 9 K 0.10998872103435 0.34789901389970 0.06607583478506 39.098 > 9 10 K 0.10998872103435 0.84789901389970 0.06607583478506 39.098 > 9 11 K 0.89001127896565 0.15210098610030 0.56607583478505 39.098 > 11 12 K 0.89001127896565 0.65210098610030 0.56607583478505 39.098 > 11 13 K 0.60998872103435 0.40210098610030 0.06607583478506 39.098 > 13 14 K 0.60998872103435 0.90210098610030 0.06607583478506 39.098 > 13 15 K 0.39001127896565 0.09789901389970 0.56607583478505 39.098 > 15 16 K 0.39001127896565 0.59789901389970 0.56607583478505 39.098 > 15 17 Sn 0.37245306766597 0.24892064087191 0.01210651729007 118.710 > 17 18 Sn 0.37245306766597 0.74892064087191 0.01210651729007 118.710 > 17 19 Sn 0.62754693233403 0.25107935912809 0.51210651729007 118.710 > 19 20 Sn 0.62754693233403 0.75107935912809 0.51210651729007 118.710 > 19 21 Sn 0.87245306766597 0.00107935912809 0.01210651729007 118.710 > 21 22 Sn 0.87245306766597 0.50107935912809 0.01210651729007 118.710 > 21 23 Sn 0.12754693233403 0.49892064087191 0.51210651729007 118.710 > 23 24 Sn 0.12754693233403 0.99892064087191 0.51210651729007 118.710 > 23 25 Sn 0.24867796208491 0.12751618570873 0.26312379579323 118.710 > 25 26 Sn 0.24867796208491 0.62751618570873 0.26312379579323 118.710 > 25 27 Sn 0.75132203791509 0.37248381429127 0.76312379579323 118.710 > 27 28 Sn 0.75132203791509 0.87248381429127 0.76312379579323 118.710 > 27 29 Sn 0.74867796208491 0.12248381429127 0.26312379579323 118.710 > 29 30 Sn 0.74867796208491 0.62248381429127 0.26312379579323 118.710 > 29 31 Sn 0.25132203791509 0.37751618570873 0.76312379579323 118.710 > 31 32 Sn 0.25132203791509 0.87751618570873 0.76312379579323 118.710 > 31 33 P 0.50144744328816 0.17136234184638 0.26175912840147 30.974 > 33 34 P 0.50144744328816 0.67136234184638 0.26175912840147 30.974 > 33 35 P 0.49855255671184 0.32863765815362 0.76175912840147 30.974 > 35 36 P 0.49855255671184 0.82863765815362 0.76175912840147 30.974 > 35 37 P 0.00144744328816 0.07863765815362 0.26175912840147 30.974 > 37 38 P 0.00144744328816 0.57863765815362 0.26175912840147 30.974 > 37 39 P 0.99855255671184 0.42136234184638 0.76175912840147 30.974 > 39 40 P 0.99855255671184 0.92136234184638 0.76175912840147 30.974 > 39 41 P 0.17588306765778 0.25064197690765 0.51511283730497 30.974 > 41 42 P 0.17588306765778 0.75064197690765 0.51511283730497 30.974 > 41 43 P 0.82411693234223 0.24935802309235 0.01511283730497 30.974 > 43 44 P 0.82411693234223 0.74935802309235 0.01511283730497 30.974 > 43 45 P 0.67588306765777 0.49935802309235 0.51511283730497 30.974 > 45 46 P 0.67588306765777 0.99935802309235 0.51511283730497 30.974 > 45 47 P 0.32411693234222 0.00064197690765 0.01511283730497 30.974 > 47 48 P 0.32411693234222 0.50064197690765 0.01511283730497 30.974 > 47 49 O 0.48698753099595 0.24458939940921 0.14982218517014 15.999 > 49 50 O 0.48698753099595 0.74458939940921 0.14982218517014 15.999 > 49 51 O 0.51301246900405 0.25541060059079 0.64982218517014 15.999 > 51 52 O 0.51301246900405 0.75541060059079 0.64982218517014 15.999 > 51 53 O 0.98698753099595 0.00541060059079 0.14982218517014 15.999 > 53 54 O 0.98698753099595 0.50541060059079 0.14982218517014 15.999 > 53 55 O 0.01301246900405 0.49458939940921 0.64982218517014 15.999 > 55 56 O 0.01301246900405 0.99458939940921 0.64982218517014 15.999 > 55 57 O 0.51437573366639 0.24035255522913 0.37822332605014 15.999 > 57 58 O 0.51437573366639 0.74035255522913 0.37822332605014 15.999 > 57 59 O 0.48562426633361 0.25964744477087 0.87822332605014 15.999 > 59 60 O 0.48562426633361 0.75964744477087 0.87822332605014 15.999 > 59 61 O 0.01437573366639 0.00964744477087 0.37822332605014 15.999 > 61 62 O 0.01437573366639 0.50964744477087 0.37822332605014 15.999 > 61 63 O 0.98562426633361 0.49035255522913 0.87822332605014 15.999 > 63 64 O 0.98562426633361 0.99035255522913 0.87822332605014 15.999 > 63 65 O 0.40831963699516 0.10278935604142 0.28371040916550 15.999 > 65 66 O 0.40831963699516 0.60278935604142 0.28371040916550 15.999 > 65 67 O 0.59168036300484 0.39721064395858 0.78371040916550 15.999 > 67 68 O 0.59168036300484 0.89721064395858 0.78371040916550 15.999 > 67 69 O 0.90831963699516 0.14721064395858 0.28371040916550 15.999 > 69 70 O 0.90831963699516 0.64721064395858 0.28371040916550 15.999 > 69 71 O 0.09168036300484 0.35278935604142 0.78371040916550 15.999 > 71 72 O 0.09168036300484 0.85278935604142 0.78371040916550 15.999 > 71 73 O 0.59287815703494 0.10111873367708 0.23956314416155 15.999 > 73 74 O 0.59287815703494 0.60111873367708 0.23956314416155 15.999 > 73 75 O 0.40712184296506 0.39888126632292 0.73956314416155 15.999 > 75 76 O 0.40712184296506 0.89888126632292 0.73956314416155 15.999 > 75 77 O 0.09287815703494 0.14888126632292 0.23956314416155 15.999 > 77 78 O 0.09287815703494 0.64888126632292 0.23956314416155 15.999 > 77 79 O 0.90712184296506 0.35111873367708 0.73956314416155 15.999 > 79 80 O 0.90712184296506 0.85111873367708 0.73956314416155 15.999 > 79 81 O 0.10500275162008 0.15829002804661 0.53637728979994 15.999 > 81 82 O 0.10500275162008 0.65829002804661 0.53637728979994 15.999 > 81 83 O 0.89499724837992 0.34170997195339 0.03637728979994 15.999 > 83 84 O 0.89499724837992 0.84170997195339 0.03637728979994 15.999 > 83 85 O 0.60500275162008 0.09170997195339 0.53637728979994 15.999 > 85 86 O 0.60500275162008 0.59170997195339 0.53637728979994 15.999 > 85 87 O 0.39499724837992 0.40829002804661 0.03637728979994 15.999 > 87 88 O 0.39499724837992 0.90829002804661 0.03637728979994 15.999 > 87 89 O 0.10670715562581 0.34301962558394 0.49177647440518 15.999 > 89 90 O 0.10670715562581 0.84301962558394 0.49177647440518 15.999 > 89 91 O 0.89329284437418 0.15698037441606 0.99177647440518 15.999 > 91 92 O 0.89329284437418 0.65698037441606 0.99177647440518 15.999 > 91 93 O 0.60670715562582 0.40698037441606 0.49177647440518 15.999 > 93 94 O 0.60670715562582 0.90698037441606 0.49177647440518 15.999 > 93 95 O 0.39329284437418 0.09301962558394 0.99177647440518 15.999 > 95 96 O 0.39329284437418 0.59301962558394 0.99177647440518 15.999 > 95 97 O 0.24470350488818 0.26328853929726 0.63017430902144 15.999 > 97 98 O 0.24470350488818 0.76328853929726 0.63017430902144 15.999 > 97 99 O 0.75529649511182 0.23671146070274 0.13017430902144 15.999 > 99 100 O 0.75529649511182 0.73671146070274 0.13017430902144 15.999 > 99 101 O 0.74470350488818 0.48671146070274 0.63017430902144 15.999 > 101 102 O 0.74470350488818 0.98671146070274 0.63017430902144 15.999 > 101 103 O 0.25529649511182 0.01328853929726 0.13017430902144 15.999 > 103 104 O 0.25529649511182 0.51328853929726 0.13017430902144 15.999 > 103 105 O 0.24993602189128 0.23464172172520 0.40626349678523 15.999 > 105 106 O 0.24993602189128 0.73464172172520 0.40626349678523 15.999 > 105 107 O 0.75006397810872 0.26535827827480 0.90626349678523 15.999 > 107 108 O 0.75006397810872 0.76535827827480 0.90626349678523 15.999 > 107 109 O 0.74993602189128 0.01535827827480 0.40626349678523 15.999 > 109 110 O 0.74993602189128 0.51535827827480 0.40626349678523 15.999 > 109 111 O 0.25006397810872 0.48464172172520 0.90626349678523 15.999 > 111 112 O 0.25006397810872 0.98464172172520 0.90626349678523 15.999 > 111 113 O 0.27164436433914 0.24339948979449 0.14993268564324 15.999 > 113 114 O 0.27164436433914 0.74339948979449 0.14993268564324 15.999 > 113 115 O 0.72835563566086 0.25660051020551 0.64993268564324 15.999 > 115 116 O 0.72835563566086 0.75660051020551 0.64993268564324 15.999 > 115 117 O 0.77164436433914 0.00660051020551 0.14993268564324 15.999 > 117 118 O 0.77164436433914 0.50660051020551 0.14993268564324 15.999 > 117 119 O 0.22835563566086 0.49339948979449 0.64993268564324 15.999 > 119 120 O 0.22835563566086 0.99339948979449 0.64993268564324 15.999 > 119 121 O 0.23760486987227 0.01776861728781 0.38879648171462 15.999 > 121 122 O 0.23760486987227 0.51776861728781 0.38879648171462 15.999 > 121 123 O 0.76239513012773 0.48223138271219 0.88879648171462 15.999 > 123 124 O 0.76239513012773 0.98223138271219 0.88879648171462 15.999 > 123 125 O 0.73760486987227 0.23223138271219 0.38879648171462 15.999 > 125 126 O 0.73760486987227 0.73223138271219 0.38879648171462 15.999 > 125 127 O 0.26239513012773 0.26776861728781 0.88879648171462 15.999 > 127 128 O 0.26239513012773 0.76776861728781 0.88879648171462 15.999 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8183058 0.0000000 0.0000000 0.0000000 2.8447062 0.0000000 0.0000000 0.0000000 2.9444303 -------------------------- Born effective charges -------------------------- 1 K 1.1424335 -0.0948882 -0.0149650 -0.0965632 1.4009564 0.0198358 -0.0198884 -0.0058020 1.1198419 2 K 1.1424335 -0.0948882 0.0149650 -0.0965632 1.4009564 -0.0198358 0.0198884 0.0058020 1.1198419 3 K 1.1424335 0.0948882 -0.0149650 0.0965632 1.4009564 -0.0198358 -0.0198884 0.0058020 1.1198419 4 K 1.1424335 0.0948882 0.0149650 0.0965632 1.4009564 0.0198358 0.0198884 -0.0058020 1.1198419 5 K 1.3992551 -0.1012527 0.0011474 -0.0933558 1.1829278 -0.0727698 -0.0018153 -0.0335755 1.1289555 6 K 1.3992551 -0.1012527 -0.0011474 -0.0933558 1.1829278 0.0727698 0.0018153 0.0335755 1.1289555 7 K 1.3992551 0.1012527 0.0011474 0.0933558 1.1829278 0.0727698 -0.0018153 0.0335755 1.1289555 8 K 1.3992551 0.1012527 -0.0011474 0.0933558 1.1829278 -0.0727698 0.0018153 -0.0335755 1.1289555 9 Sn 3.5346651 0.0075303 -0.0335355 -0.0123191 4.3101419 -0.7558157 0.0487074 -0.3166181 4.3853525 10 Sn 3.5346651 0.0075303 0.0335355 -0.0123191 4.3101419 0.7558157 -0.0487074 0.3166181 4.3853525 11 Sn 3.5346651 -0.0075303 -0.0335355 0.0123191 4.3101419 0.7558157 0.0487074 0.3166181 4.3853525 12 Sn 3.5346651 -0.0075303 0.0335355 0.0123191 4.3101419 -0.7558157 -0.0487074 -0.3166181 4.3853525 13 Sn 4.3269506 0.0590781 -0.6260800 0.3963824 3.5387580 0.2320836 -0.3246607 0.0789562 4.3179705 14 Sn 4.3269506 0.0590781 0.6260800 0.3963824 3.5387580 -0.2320836 0.3246607 -0.0789562 4.3179705 15 Sn 4.3269506 -0.0590781 -0.6260800 -0.3963824 3.5387580 -0.2320836 -0.3246607 -0.0789562 4.3179705 16 Sn 4.3269506 -0.0590781 0.6260800 -0.3963824 3.5387580 0.2320836 0.3246607 0.0789562 4.3179705 17 P 4.0386049 -0.1075184 0.7808023 -0.0256464 2.8314112 -0.0786390 0.2812249 -0.0672162 3.5540412 18 P 4.0386049 -0.1075184 -0.7808023 -0.0256464 2.8314112 0.0786390 -0.2812249 0.0672162 3.5540412 19 P 4.0386049 0.1075184 0.7808023 0.0256464 2.8314112 0.0786390 0.2812249 0.0672162 3.5540412 20 P 4.0386049 0.1075184 -0.7808023 0.0256464 2.8314112 -0.0786390 -0.2812249 -0.0672162 3.5540412 21 P 2.7954762 -0.0110344 -0.0598074 -0.0835243 4.0568840 0.5722785 -0.1187145 0.2858825 3.5567739 22 P 2.7954762 -0.0110344 0.0598074 -0.0835243 4.0568840 -0.5722785 0.1187145 -0.2858825 3.5567739 23 P 2.7954762 0.0110344 -0.0598074 0.0835243 4.0568840 -0.5722785 -0.1187145 -0.2858825 3.5567739 24 P 2.7954762 0.0110344 0.0598074 0.0835243 4.0568840 0.5722785 0.1187145 0.2858825 3.5567739 25 O -1.6143624 0.2771786 -0.8080474 0.0444280 -1.4251738 0.5851939 -0.4401018 0.7863933 -2.2395633 26 O -1.6143624 0.2771786 0.8080474 0.0444280 -1.4251738 -0.5851939 0.4401018 -0.7863933 -2.2395633 27 O -1.6143624 -0.2771786 -0.8080474 -0.0444280 -1.4251738 -0.5851939 -0.4401018 -0.7863933 -2.2395633 28 O -1.6143624 -0.2771786 0.8080474 -0.0444280 -1.4251738 0.5851939 0.4401018 0.7863933 -2.2395633 29 O -1.6378909 -0.2409651 -0.9115066 -0.0067501 -1.3220266 -0.4848795 -0.4946851 -0.6924486 -2.3277638 30 O -1.6378909 -0.2409651 0.9115066 -0.0067501 -1.3220266 0.4848795 0.4946851 0.6924486 -2.3277638 31 O -1.6378909 0.2409651 -0.9115066 0.0067501 -1.3220266 0.4848795 -0.4946851 0.6924486 -2.3277638 32 O -1.6378909 0.2409651 0.9115066 0.0067501 -1.3220266 -0.4848795 0.4946851 -0.6924486 -2.3277638 33 O -2.7840705 -0.6686360 0.0395846 -0.4931847 -1.3416396 0.1304133 -0.0891403 0.1069661 -1.1980498 34 O -2.7840705 -0.6686360 -0.0395846 -0.4931847 -1.3416396 -0.1304133 0.0891403 -0.1069661 -1.1980498 35 O -2.7840705 0.6686360 0.0395846 0.4931847 -1.3416396 -0.1304133 -0.0891403 -0.1069661 -1.1980498 36 O -2.7840705 0.6686360 -0.0395846 0.4931847 -1.3416396 0.1304133 0.0891403 0.1069661 -1.1980498 37 O -2.8479806 0.6987612 0.0125839 0.4841415 -1.2505039 -0.1239628 -0.0911420 -0.1173546 -1.1249155 38 O -2.8479806 0.6987612 -0.0125839 0.4841415 -1.2505039 0.1239628 0.0911420 0.1173546 -1.1249155 39 O -2.8479806 -0.6987612 0.0125839 -0.4841415 -1.2505039 0.1239628 -0.0911420 0.1173546 -1.1249155 40 O -2.8479806 -0.6987612 -0.0125839 -0.4841415 -1.2505039 -0.1239628 0.0911420 -0.1173546 -1.1249155 41 O -1.3666284 -0.4455298 0.1015341 -0.6536376 -2.7505361 0.0621090 0.0788641 -0.1022944 -1.2262885 42 O -1.3666284 -0.4455298 -0.1015341 -0.6536376 -2.7505361 -0.0621090 -0.0788641 0.1022944 -1.2262885 43 O -1.3666284 0.4455298 0.1015341 0.6536376 -2.7505361 -0.0621090 0.0788641 0.1022944 -1.2262885 44 O -1.3666284 0.4455298 -0.1015341 0.6536376 -2.7505361 0.0621090 -0.0788641 -0.1022944 -1.2262885 45 O -1.2166909 0.4283886 -0.0917812 0.6610254 -2.8372769 0.0784080 -0.0584047 -0.0917438 -1.1331779 46 O -1.2166909 0.4283886 0.0917812 0.6610254 -2.8372769 -0.0784080 0.0584047 0.0917438 -1.1331779 47 O -1.2166909 -0.4283886 -0.0917812 -0.6610254 -2.8372769 -0.0784080 -0.0584047 0.0917438 -1.1331779 48 O -1.2166909 -0.4283886 0.0917812 -0.6610254 -2.8372769 0.0784080 0.0584047 -0.0917438 -1.1331779 49 O -1.2996535 -0.0532621 -0.5002138 -0.1854494 -1.5825850 -0.7382788 -0.6832768 -0.5636335 -2.4189157 50 O -1.2996535 -0.0532621 0.5002138 -0.1854494 -1.5825850 0.7382788 0.6832768 0.5636335 -2.4189157 51 O -1.2996535 0.0532621 -0.5002138 0.1854494 -1.5825850 0.7382788 -0.6832768 0.5636335 -2.4189157 52 O -1.2996535 0.0532621 0.5002138 0.1854494 -1.5825850 -0.7382788 0.6832768 -0.5636335 -2.4189157 53 O -1.3599123 0.0552060 0.5786879 0.2007808 -1.5453462 -0.6929242 0.8045305 -0.4984010 -2.3784790 54 O -1.3599123 0.0552060 -0.5786879 0.2007808 -1.5453462 0.6929242 -0.8045305 0.4984010 -2.3784790 55 O -1.3599123 -0.0552060 0.5786879 -0.2007808 -1.5453462 0.6929242 0.8045305 0.4984010 -2.3784790 56 O -1.3599123 -0.0552060 -0.5786879 -0.2007808 -1.5453462 -0.6929242 -0.8045305 -0.4984010 -2.3784790 57 O -1.5222450 -0.0636967 0.3156383 -0.1607312 -1.6477294 0.4699695 0.3593644 0.4460845 -2.0068930 58 O -1.5222450 -0.0636967 -0.3156383 -0.1607312 -1.6477294 -0.4699695 -0.3593644 -0.4460845 -2.0068930 59 O -1.5222450 0.0636967 0.3156383 0.1607312 -1.6477294 -0.4699695 0.3593644 -0.4460845 -2.0068930 60 O -1.5222450 0.0636967 -0.3156383 0.1607312 -1.6477294 0.4699695 -0.3593644 0.4460845 -2.0068930 61 O -1.5879508 -0.0762364 0.3850702 -0.1188899 -1.6182617 0.4364033 0.4568814 0.3989064 -2.0088889 62 O -1.5879508 -0.0762364 -0.3850702 -0.1188899 -1.6182617 -0.4364033 -0.4568814 -0.3989064 -2.0088889 63 O -1.5879508 0.0762364 0.3850702 0.1188899 -1.6182617 -0.4364033 0.4568814 -0.3989064 -2.0088889 64 O -1.5879508 0.0762364 -0.3850702 0.1188899 -1.6182617 0.4364033 -0.4568814 0.3989064 -2.0088889 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 105, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 121, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yx) 0.00000000 (yx) 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 10:18:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:18:01]------------------------- Compiled with OpenMP support (max 48 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: Pna2_1 (33) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 13.239256169999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.575432980000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.808296110000001 Atomic positions (fractional): 1 K 0.37347587036632 0.77511791962704 0.30848204450822 39.098 2 K 0.62652412963368 0.22488208037297 0.80848204450822 39.098 3 K 0.87347587036632 0.72488208037296 0.30848204450822 39.098 4 K 0.12652412963369 0.27511791962704 0.80848204450822 39.098 5 K 0.10998872103435 0.69579802779940 0.06607583478506 39.098 6 K 0.89001127896565 0.30420197220060 0.56607583478505 39.098 7 K 0.60998872103435 0.80420197220060 0.06607583478506 39.098 8 K 0.39001127896565 0.19579802779940 0.56607583478505 39.098 9 Sn 0.37245306766597 0.49784128174382 0.01210651729007 118.710 10 Sn 0.62754693233403 0.50215871825618 0.51210651729007 118.710 11 Sn 0.87245306766597 0.00215871825618 0.01210651729007 118.710 12 Sn 0.12754693233403 0.99784128174382 0.51210651729007 118.710 13 Sn 0.24867796208491 0.25503237141747 0.26312379579323 118.710 14 Sn 0.75132203791509 0.74496762858253 0.76312379579323 118.710 15 Sn 0.74867796208491 0.24496762858253 0.26312379579323 118.710 16 Sn 0.25132203791509 0.75503237141747 0.76312379579323 118.710 17 P 0.50144744328816 0.34272468369275 0.26175912840147 30.974 18 P 0.49855255671184 0.65727531630725 0.76175912840147 30.974 19 P 0.00144744328816 0.15727531630725 0.26175912840147 30.974 20 P 0.99855255671184 0.84272468369275 0.76175912840147 30.974 21 P 0.17588306765778 0.50128395381530 0.51511283730497 30.974 22 P 0.82411693234223 0.49871604618470 0.01511283730497 30.974 23 P 0.67588306765777 0.99871604618470 0.51511283730497 30.974 24 P 0.32411693234222 0.00128395381529 0.01511283730497 30.974 25 O 0.48698753099595 0.48917879881843 0.14982218517014 15.999 26 O 0.51301246900405 0.51082120118157 0.64982218517014 15.999 27 O 0.98698753099595 0.01082120118157 0.14982218517014 15.999 28 O 0.01301246900405 0.98917879881843 0.64982218517014 15.999 29 O 0.51437573366639 0.48070511045826 0.37822332605014 15.999 30 O 0.48562426633361 0.51929488954174 0.87822332605014 15.999 31 O 0.01437573366639 0.01929488954174 0.37822332605014 15.999 32 O 0.98562426633361 0.98070511045826 0.87822332605014 15.999 33 O 0.40831963699516 0.20557871208283 0.28371040916550 15.999 34 O 0.59168036300484 0.79442128791717 0.78371040916550 15.999 35 O 0.90831963699516 0.29442128791717 0.28371040916550 15.999 36 O 0.09168036300484 0.70557871208283 0.78371040916550 15.999 37 O 0.59287815703494 0.20223746735417 0.23956314416155 15.999 38 O 0.40712184296506 0.79776253264583 0.73956314416155 15.999 39 O 0.09287815703494 0.29776253264583 0.23956314416155 15.999 40 O 0.90712184296506 0.70223746735417 0.73956314416155 15.999 41 O 0.10500275162008 0.31658005609323 0.53637728979994 15.999 42 O 0.89499724837992 0.68341994390677 0.03637728979994 15.999 43 O 0.60500275162008 0.18341994390677 0.53637728979994 15.999 44 O 0.39499724837992 0.81658005609323 0.03637728979994 15.999 45 O 0.10670715562581 0.68603925116787 0.49177647440518 15.999 46 O 0.89329284437418 0.31396074883213 0.99177647440518 15.999 47 O 0.60670715562582 0.81396074883213 0.49177647440518 15.999 48 O 0.39329284437418 0.18603925116787 0.99177647440518 15.999 49 O 0.24470350488818 0.52657707859453 0.63017430902144 15.999 50 O 0.75529649511182 0.47342292140547 0.13017430902144 15.999 51 O 0.74470350488818 0.97342292140547 0.63017430902144 15.999 52 O 0.25529649511182 0.02657707859453 0.13017430902144 15.999 53 O 0.24993602189128 0.46928344345039 0.40626349678523 15.999 54 O 0.75006397810872 0.53071655654961 0.90626349678523 15.999 55 O 0.74993602189128 0.03071655654961 0.40626349678523 15.999 56 O 0.25006397810872 0.96928344345039 0.90626349678523 15.999 57 O 0.27164436433914 0.48679897958898 0.14993268564324 15.999 58 O 0.72835563566086 0.51320102041102 0.64993268564324 15.999 59 O 0.77164436433914 0.01320102041102 0.14993268564324 15.999 60 O 0.22835563566086 0.98679897958898 0.64993268564324 15.999 61 O 0.23760486987227 0.03553723457562 0.38879648171462 15.999 62 O 0.76239513012773 0.96446276542438 0.88879648171462 15.999 63 O 0.73760486987227 0.46446276542438 0.38879648171462 15.999 64 O 0.26239513012773 0.53553723457562 0.88879648171462 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.239256169999999 0.000000000000000 0.000000000000000 b 0.000000000000000 13.150865960000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.808296110000001 Atomic positions (fractional): 1 K 0.37347587036632 0.38755895981352 0.30848204450822 39.098 > 1 2 K 0.37347587036632 0.88755895981352 0.30848204450822 39.098 > 1 3 K 0.62652412963368 0.11244104018648 0.80848204450822 39.098 > 3 4 K 0.62652412963368 0.61244104018648 0.80848204450822 39.098 > 3 5 K 0.87347587036632 0.36244104018648 0.30848204450822 39.098 > 5 6 K 0.87347587036632 0.86244104018648 0.30848204450822 39.098 > 5 7 K 0.12652412963369 0.13755895981352 0.80848204450822 39.098 > 7 8 K 0.12652412963369 0.63755895981352 0.80848204450822 39.098 > 7 9 K 0.10998872103435 0.34789901389970 0.06607583478506 39.098 > 9 10 K 0.10998872103435 0.84789901389970 0.06607583478506 39.098 > 9 11 K 0.89001127896565 0.15210098610030 0.56607583478505 39.098 > 11 12 K 0.89001127896565 0.65210098610030 0.56607583478505 39.098 > 11 13 K 0.60998872103435 0.40210098610030 0.06607583478506 39.098 > 13 14 K 0.60998872103435 0.90210098610030 0.06607583478506 39.098 > 13 15 K 0.39001127896565 0.09789901389970 0.56607583478505 39.098 > 15 16 K 0.39001127896565 0.59789901389970 0.56607583478505 39.098 > 15 17 Sn 0.37245306766597 0.24892064087191 0.01210651729007 118.710 > 17 18 Sn 0.37245306766597 0.74892064087191 0.01210651729007 118.710 > 17 19 Sn 0.62754693233403 0.25107935912809 0.51210651729007 118.710 > 19 20 Sn 0.62754693233403 0.75107935912809 0.51210651729007 118.710 > 19 21 Sn 0.87245306766597 0.00107935912809 0.01210651729007 118.710 > 21 22 Sn 0.87245306766597 0.50107935912809 0.01210651729007 118.710 > 21 23 Sn 0.12754693233403 0.49892064087191 0.51210651729007 118.710 > 23 24 Sn 0.12754693233403 0.99892064087191 0.51210651729007 118.710 > 23 25 Sn 0.24867796208491 0.12751618570873 0.26312379579323 118.710 > 25 26 Sn 0.24867796208491 0.62751618570873 0.26312379579323 118.710 > 25 27 Sn 0.75132203791509 0.37248381429127 0.76312379579323 118.710 > 27 28 Sn 0.75132203791509 0.87248381429127 0.76312379579323 118.710 > 27 29 Sn 0.74867796208491 0.12248381429127 0.26312379579323 118.710 > 29 30 Sn 0.74867796208491 0.62248381429127 0.26312379579323 118.710 > 29 31 Sn 0.25132203791509 0.37751618570873 0.76312379579323 118.710 > 31 32 Sn 0.25132203791509 0.87751618570873 0.76312379579323 118.710 > 31 33 P 0.50144744328816 0.17136234184638 0.26175912840147 30.974 > 33 34 P 0.50144744328816 0.67136234184638 0.26175912840147 30.974 > 33 35 P 0.49855255671184 0.32863765815362 0.76175912840147 30.974 > 35 36 P 0.49855255671184 0.82863765815362 0.76175912840147 30.974 > 35 37 P 0.00144744328816 0.07863765815362 0.26175912840147 30.974 > 37 38 P 0.00144744328816 0.57863765815362 0.26175912840147 30.974 > 37 39 P 0.99855255671184 0.42136234184638 0.76175912840147 30.974 > 39 40 P 0.99855255671184 0.92136234184638 0.76175912840147 30.974 > 39 41 P 0.17588306765778 0.25064197690765 0.51511283730497 30.974 > 41 42 P 0.17588306765778 0.75064197690765 0.51511283730497 30.974 > 41 43 P 0.82411693234223 0.24935802309235 0.01511283730497 30.974 > 43 44 P 0.82411693234223 0.74935802309235 0.01511283730497 30.974 > 43 45 P 0.67588306765777 0.49935802309235 0.51511283730497 30.974 > 45 46 P 0.67588306765777 0.99935802309235 0.51511283730497 30.974 > 45 47 P 0.32411693234222 0.00064197690765 0.01511283730497 30.974 > 47 48 P 0.32411693234222 0.50064197690765 0.01511283730497 30.974 > 47 49 O 0.48698753099595 0.24458939940921 0.14982218517014 15.999 > 49 50 O 0.48698753099595 0.74458939940921 0.14982218517014 15.999 > 49 51 O 0.51301246900405 0.25541060059079 0.64982218517014 15.999 > 51 52 O 0.51301246900405 0.75541060059079 0.64982218517014 15.999 > 51 53 O 0.98698753099595 0.00541060059079 0.14982218517014 15.999 > 53 54 O 0.98698753099595 0.50541060059079 0.14982218517014 15.999 > 53 55 O 0.01301246900405 0.49458939940921 0.64982218517014 15.999 > 55 56 O 0.01301246900405 0.99458939940921 0.64982218517014 15.999 > 55 57 O 0.51437573366639 0.24035255522913 0.37822332605014 15.999 > 57 58 O 0.51437573366639 0.74035255522913 0.37822332605014 15.999 > 57 59 O 0.48562426633361 0.25964744477087 0.87822332605014 15.999 > 59 60 O 0.48562426633361 0.75964744477087 0.87822332605014 15.999 > 59 61 O 0.01437573366639 0.00964744477087 0.37822332605014 15.999 > 61 62 O 0.01437573366639 0.50964744477087 0.37822332605014 15.999 > 61 63 O 0.98562426633361 0.49035255522913 0.87822332605014 15.999 > 63 64 O 0.98562426633361 0.99035255522913 0.87822332605014 15.999 > 63 65 O 0.40831963699516 0.10278935604142 0.28371040916550 15.999 > 65 66 O 0.40831963699516 0.60278935604142 0.28371040916550 15.999 > 65 67 O 0.59168036300484 0.39721064395858 0.78371040916550 15.999 > 67 68 O 0.59168036300484 0.89721064395858 0.78371040916550 15.999 > 67 69 O 0.90831963699516 0.14721064395858 0.28371040916550 15.999 > 69 70 O 0.90831963699516 0.64721064395858 0.28371040916550 15.999 > 69 71 O 0.09168036300484 0.35278935604142 0.78371040916550 15.999 > 71 72 O 0.09168036300484 0.85278935604142 0.78371040916550 15.999 > 71 73 O 0.59287815703494 0.10111873367708 0.23956314416155 15.999 > 73 74 O 0.59287815703494 0.60111873367708 0.23956314416155 15.999 > 73 75 O 0.40712184296506 0.39888126632292 0.73956314416155 15.999 > 75 76 O 0.40712184296506 0.89888126632292 0.73956314416155 15.999 > 75 77 O 0.09287815703494 0.14888126632292 0.23956314416155 15.999 > 77 78 O 0.09287815703494 0.64888126632292 0.23956314416155 15.999 > 77 79 O 0.90712184296506 0.35111873367708 0.73956314416155 15.999 > 79 80 O 0.90712184296506 0.85111873367708 0.73956314416155 15.999 > 79 81 O 0.10500275162008 0.15829002804661 0.53637728979994 15.999 > 81 82 O 0.10500275162008 0.65829002804661 0.53637728979994 15.999 > 81 83 O 0.89499724837992 0.34170997195339 0.03637728979994 15.999 > 83 84 O 0.89499724837992 0.84170997195339 0.03637728979994 15.999 > 83 85 O 0.60500275162008 0.09170997195339 0.53637728979994 15.999 > 85 86 O 0.60500275162008 0.59170997195339 0.53637728979994 15.999 > 85 87 O 0.39499724837992 0.40829002804661 0.03637728979994 15.999 > 87 88 O 0.39499724837992 0.90829002804661 0.03637728979994 15.999 > 87 89 O 0.10670715562581 0.34301962558394 0.49177647440518 15.999 > 89 90 O 0.10670715562581 0.84301962558394 0.49177647440518 15.999 > 89 91 O 0.89329284437418 0.15698037441606 0.99177647440518 15.999 > 91 92 O 0.89329284437418 0.65698037441606 0.99177647440518 15.999 > 91 93 O 0.60670715562582 0.40698037441606 0.49177647440518 15.999 > 93 94 O 0.60670715562582 0.90698037441606 0.49177647440518 15.999 > 93 95 O 0.39329284437418 0.09301962558394 0.99177647440518 15.999 > 95 96 O 0.39329284437418 0.59301962558394 0.99177647440518 15.999 > 95 97 O 0.24470350488818 0.26328853929726 0.63017430902144 15.999 > 97 98 O 0.24470350488818 0.76328853929726 0.63017430902144 15.999 > 97 99 O 0.75529649511182 0.23671146070274 0.13017430902144 15.999 > 99 100 O 0.75529649511182 0.73671146070274 0.13017430902144 15.999 > 99 101 O 0.74470350488818 0.48671146070274 0.63017430902144 15.999 > 101 102 O 0.74470350488818 0.98671146070274 0.63017430902144 15.999 > 101 103 O 0.25529649511182 0.01328853929726 0.13017430902144 15.999 > 103 104 O 0.25529649511182 0.51328853929726 0.13017430902144 15.999 > 103 105 O 0.24993602189128 0.23464172172520 0.40626349678523 15.999 > 105 106 O 0.24993602189128 0.73464172172520 0.40626349678523 15.999 > 105 107 O 0.75006397810872 0.26535827827480 0.90626349678523 15.999 > 107 108 O 0.75006397810872 0.76535827827480 0.90626349678523 15.999 > 107 109 O 0.74993602189128 0.01535827827480 0.40626349678523 15.999 > 109 110 O 0.74993602189128 0.51535827827480 0.40626349678523 15.999 > 109 111 O 0.25006397810872 0.48464172172520 0.90626349678523 15.999 > 111 112 O 0.25006397810872 0.98464172172520 0.90626349678523 15.999 > 111 113 O 0.27164436433914 0.24339948979449 0.14993268564324 15.999 > 113 114 O 0.27164436433914 0.74339948979449 0.14993268564324 15.999 > 113 115 O 0.72835563566086 0.25660051020551 0.64993268564324 15.999 > 115 116 O 0.72835563566086 0.75660051020551 0.64993268564324 15.999 > 115 117 O 0.77164436433914 0.00660051020551 0.14993268564324 15.999 > 117 118 O 0.77164436433914 0.50660051020551 0.14993268564324 15.999 > 117 119 O 0.22835563566086 0.49339948979449 0.64993268564324 15.999 > 119 120 O 0.22835563566086 0.99339948979449 0.64993268564324 15.999 > 119 121 O 0.23760486987227 0.01776861728781 0.38879648171462 15.999 > 121 122 O 0.23760486987227 0.51776861728781 0.38879648171462 15.999 > 121 123 O 0.76239513012773 0.48223138271219 0.88879648171462 15.999 > 123 124 O 0.76239513012773 0.98223138271219 0.88879648171462 15.999 > 123 125 O 0.73760486987227 0.23223138271219 0.38879648171462 15.999 > 125 126 O 0.73760486987227 0.73223138271219 0.38879648171462 15.999 > 125 127 O 0.26239513012773 0.26776861728781 0.88879648171462 15.999 > 127 128 O 0.26239513012773 0.76776861728781 0.88879648171462 15.999 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.8183058 0.0000000 0.0000000 0.0000000 2.8447062 0.0000000 0.0000000 0.0000000 2.9444303 -------------------------- Born effective charges -------------------------- 1 K 1.1424335 -0.0948882 -0.0149650 -0.0965632 1.4009564 0.0198358 -0.0198884 -0.0058020 1.1198419 2 K 1.1424335 -0.0948882 0.0149650 -0.0965632 1.4009564 -0.0198358 0.0198884 0.0058020 1.1198419 3 K 1.1424335 0.0948882 -0.0149650 0.0965632 1.4009564 -0.0198358 -0.0198884 0.0058020 1.1198419 4 K 1.1424335 0.0948882 0.0149650 0.0965632 1.4009564 0.0198358 0.0198884 -0.0058020 1.1198419 5 K 1.3992551 -0.1012527 0.0011474 -0.0933558 1.1829278 -0.0727698 -0.0018153 -0.0335755 1.1289555 6 K 1.3992551 -0.1012527 -0.0011474 -0.0933558 1.1829278 0.0727698 0.0018153 0.0335755 1.1289555 7 K 1.3992551 0.1012527 0.0011474 0.0933558 1.1829278 0.0727698 -0.0018153 0.0335755 1.1289555 8 K 1.3992551 0.1012527 -0.0011474 0.0933558 1.1829278 -0.0727698 0.0018153 -0.0335755 1.1289555 9 Sn 3.5346651 0.0075303 -0.0335355 -0.0123191 4.3101419 -0.7558157 0.0487074 -0.3166181 4.3853525 10 Sn 3.5346651 0.0075303 0.0335355 -0.0123191 4.3101419 0.7558157 -0.0487074 0.3166181 4.3853525 11 Sn 3.5346651 -0.0075303 -0.0335355 0.0123191 4.3101419 0.7558157 0.0487074 0.3166181 4.3853525 12 Sn 3.5346651 -0.0075303 0.0335355 0.0123191 4.3101419 -0.7558157 -0.0487074 -0.3166181 4.3853525 13 Sn 4.3269506 0.0590781 -0.6260800 0.3963824 3.5387580 0.2320836 -0.3246607 0.0789562 4.3179705 14 Sn 4.3269506 0.0590781 0.6260800 0.3963824 3.5387580 -0.2320836 0.3246607 -0.0789562 4.3179705 15 Sn 4.3269506 -0.0590781 -0.6260800 -0.3963824 3.5387580 -0.2320836 -0.3246607 -0.0789562 4.3179705 16 Sn 4.3269506 -0.0590781 0.6260800 -0.3963824 3.5387580 0.2320836 0.3246607 0.0789562 4.3179705 17 P 4.0386049 -0.1075184 0.7808023 -0.0256464 2.8314112 -0.0786390 0.2812249 -0.0672162 3.5540412 18 P 4.0386049 -0.1075184 -0.7808023 -0.0256464 2.8314112 0.0786390 -0.2812249 0.0672162 3.5540412 19 P 4.0386049 0.1075184 0.7808023 0.0256464 2.8314112 0.0786390 0.2812249 0.0672162 3.5540412 20 P 4.0386049 0.1075184 -0.7808023 0.0256464 2.8314112 -0.0786390 -0.2812249 -0.0672162 3.5540412 21 P 2.7954762 -0.0110344 -0.0598074 -0.0835243 4.0568840 0.5722785 -0.1187145 0.2858825 3.5567739 22 P 2.7954762 -0.0110344 0.0598074 -0.0835243 4.0568840 -0.5722785 0.1187145 -0.2858825 3.5567739 23 P 2.7954762 0.0110344 -0.0598074 0.0835243 4.0568840 -0.5722785 -0.1187145 -0.2858825 3.5567739 24 P 2.7954762 0.0110344 0.0598074 0.0835243 4.0568840 0.5722785 0.1187145 0.2858825 3.5567739 25 O -1.6143624 0.2771786 -0.8080474 0.0444280 -1.4251738 0.5851939 -0.4401018 0.7863933 -2.2395633 26 O -1.6143624 0.2771786 0.8080474 0.0444280 -1.4251738 -0.5851939 0.4401018 -0.7863933 -2.2395633 27 O -1.6143624 -0.2771786 -0.8080474 -0.0444280 -1.4251738 -0.5851939 -0.4401018 -0.7863933 -2.2395633 28 O -1.6143624 -0.2771786 0.8080474 -0.0444280 -1.4251738 0.5851939 0.4401018 0.7863933 -2.2395633 29 O -1.6378909 -0.2409651 -0.9115066 -0.0067501 -1.3220266 -0.4848795 -0.4946851 -0.6924486 -2.3277638 30 O -1.6378909 -0.2409651 0.9115066 -0.0067501 -1.3220266 0.4848795 0.4946851 0.6924486 -2.3277638 31 O -1.6378909 0.2409651 -0.9115066 0.0067501 -1.3220266 0.4848795 -0.4946851 0.6924486 -2.3277638 32 O -1.6378909 0.2409651 0.9115066 0.0067501 -1.3220266 -0.4848795 0.4946851 -0.6924486 -2.3277638 33 O -2.7840705 -0.6686360 0.0395846 -0.4931847 -1.3416396 0.1304133 -0.0891403 0.1069661 -1.1980498 34 O -2.7840705 -0.6686360 -0.0395846 -0.4931847 -1.3416396 -0.1304133 0.0891403 -0.1069661 -1.1980498 35 O -2.7840705 0.6686360 0.0395846 0.4931847 -1.3416396 -0.1304133 -0.0891403 -0.1069661 -1.1980498 36 O -2.7840705 0.6686360 -0.0395846 0.4931847 -1.3416396 0.1304133 0.0891403 0.1069661 -1.1980498 37 O -2.8479806 0.6987612 0.0125839 0.4841415 -1.2505039 -0.1239628 -0.0911420 -0.1173546 -1.1249155 38 O -2.8479806 0.6987612 -0.0125839 0.4841415 -1.2505039 0.1239628 0.0911420 0.1173546 -1.1249155 39 O -2.8479806 -0.6987612 0.0125839 -0.4841415 -1.2505039 0.1239628 -0.0911420 0.1173546 -1.1249155 40 O -2.8479806 -0.6987612 -0.0125839 -0.4841415 -1.2505039 -0.1239628 0.0911420 -0.1173546 -1.1249155 41 O -1.3666284 -0.4455298 0.1015341 -0.6536376 -2.7505361 0.0621090 0.0788641 -0.1022944 -1.2262885 42 O -1.3666284 -0.4455298 -0.1015341 -0.6536376 -2.7505361 -0.0621090 -0.0788641 0.1022944 -1.2262885 43 O -1.3666284 0.4455298 0.1015341 0.6536376 -2.7505361 -0.0621090 0.0788641 0.1022944 -1.2262885 44 O -1.3666284 0.4455298 -0.1015341 0.6536376 -2.7505361 0.0621090 -0.0788641 -0.1022944 -1.2262885 45 O -1.2166909 0.4283886 -0.0917812 0.6610254 -2.8372769 0.0784080 -0.0584047 -0.0917438 -1.1331779 46 O -1.2166909 0.4283886 0.0917812 0.6610254 -2.8372769 -0.0784080 0.0584047 0.0917438 -1.1331779 47 O -1.2166909 -0.4283886 -0.0917812 -0.6610254 -2.8372769 -0.0784080 -0.0584047 0.0917438 -1.1331779 48 O -1.2166909 -0.4283886 0.0917812 -0.6610254 -2.8372769 0.0784080 0.0584047 -0.0917438 -1.1331779 49 O -1.2996535 -0.0532621 -0.5002138 -0.1854494 -1.5825850 -0.7382788 -0.6832768 -0.5636335 -2.4189157 50 O -1.2996535 -0.0532621 0.5002138 -0.1854494 -1.5825850 0.7382788 0.6832768 0.5636335 -2.4189157 51 O -1.2996535 0.0532621 -0.5002138 0.1854494 -1.5825850 0.7382788 -0.6832768 0.5636335 -2.4189157 52 O -1.2996535 0.0532621 0.5002138 0.1854494 -1.5825850 -0.7382788 0.6832768 -0.5636335 -2.4189157 53 O -1.3599123 0.0552060 0.5786879 0.2007808 -1.5453462 -0.6929242 0.8045305 -0.4984010 -2.3784790 54 O -1.3599123 0.0552060 -0.5786879 0.2007808 -1.5453462 0.6929242 -0.8045305 0.4984010 -2.3784790 55 O -1.3599123 -0.0552060 0.5786879 -0.2007808 -1.5453462 0.6929242 0.8045305 0.4984010 -2.3784790 56 O -1.3599123 -0.0552060 -0.5786879 -0.2007808 -1.5453462 -0.6929242 -0.8045305 -0.4984010 -2.3784790 57 O -1.5222450 -0.0636967 0.3156383 -0.1607312 -1.6477294 0.4699695 0.3593644 0.4460845 -2.0068930 58 O -1.5222450 -0.0636967 -0.3156383 -0.1607312 -1.6477294 -0.4699695 -0.3593644 -0.4460845 -2.0068930 59 O -1.5222450 0.0636967 0.3156383 0.1607312 -1.6477294 -0.4699695 0.3593644 -0.4460845 -2.0068930 60 O -1.5222450 0.0636967 -0.3156383 0.1607312 -1.6477294 0.4699695 -0.3593644 0.4460845 -2.0068930 61 O -1.5879508 -0.0762364 0.3850702 -0.1188899 -1.6182617 0.4364033 0.4568814 0.3989064 -2.0088889 62 O -1.5879508 -0.0762364 -0.3850702 -0.1188899 -1.6182617 -0.4364033 -0.4568814 -0.3989064 -2.0088889 63 O -1.5879508 0.0762364 0.3850702 0.1188899 -1.6182617 -0.4364033 0.4568814 -0.3989064 -2.0088889 64 O -1.5879508 0.0762364 -0.3850702 0.1188899 -1.6182617 0.4364033 -0.4568814 0.3989064 -2.0088889 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 4 8 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: 0.42, Number of G-points: 307, Lambda: 0.07 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/45) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 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 1.305 ( 0.000 0.000 -0.000) 0.000 1.652 ( 0.000 0.000 -0.000) 0.000 1.853 ( 0.000 0.000 0.000) 0.000 1.869 ( 0.000 0.000 -0.000) 0.000 2.217 ( 0.000 0.000 0.000) 0.000 2.247 ( 0.000 0.000 -0.000) 0.000 2.277 ( 0.000 0.000 0.000) 0.000 2.333 ( 0.000 0.000 -0.000) 0.000 2.365 ( 0.000 0.000 0.000) 0.000 2.392 ( 0.000 0.000 0.000) 0.000 2.447 ( 0.000 0.000 0.000) 0.000 2.450 ( 0.000 0.000 0.000) 0.000 2.467 ( 0.000 0.000 -0.000) 0.000 2.498 ( 0.000 0.000 -0.000) 0.000 2.721 ( 0.000 0.000 0.000) 0.000 2.862 ( 0.000 0.000 -0.000) 0.000 2.892 ( 0.000 0.000 0.000) 0.000 2.896 ( 0.000 0.000 0.000) 0.000 2.952 ( 0.000 0.000 0.000) 0.000 3.069 ( 0.000 0.000 -0.000) 0.000 3.182 ( 0.000 0.000 0.000) 0.000 3.238 ( 0.000 0.000 -0.000) 0.000 3.273 ( 0.000 0.000 0.000) 0.000 3.277 ( 0.000 0.000 0.000) 0.000 3.390 ( 0.000 0.000 0.000) 0.000 3.403 ( 0.000 0.000 -0.000) 0.000 3.422 ( 0.000 0.000 -0.000) 0.000 3.549 ( 0.000 0.000 -0.000) 0.000 3.549 ( 0.000 0.000 0.000) 0.000 3.646 ( 0.000 0.000 0.000) 0.000 3.782 ( 0.000 0.000 -0.000) 0.000 3.787 ( 0.000 0.000 0.000) 0.000 3.847 ( 0.000 0.000 0.000) 0.000 4.012 ( 0.000 0.000 0.000) 0.000 4.155 ( 0.000 0.000 0.000) 0.000 4.159 ( 0.000 0.000 -0.000) 0.000 4.225 ( 0.000 0.000 0.000) 0.000 4.235 ( 0.000 0.000 -0.000) 0.000 4.364 ( 0.000 0.000 0.000) 0.000 4.406 ( 0.000 0.000 -0.000) 0.000 4.439 ( 0.000 0.000 -0.000) 0.000 4.452 ( 0.000 0.000 0.000) 0.000 4.459 ( 0.000 0.000 0.000) 0.000 4.597 ( 0.000 0.000 0.000) 0.000 4.679 ( 0.000 0.000 0.000) 0.000 4.754 ( 0.000 0.000 -0.000) 0.000 4.804 ( 0.000 0.000 0.000) 0.000 4.881 ( 0.000 0.000 0.000) 0.000 4.898 ( 0.000 0.000 -0.000) 0.000 4.994 ( 0.000 0.000 0.000) 0.000 4.997 ( 0.000 0.000 -0.000) 0.000 5.082 ( 0.000 0.000 0.000) 0.000 5.114 ( 0.000 0.000 0.000) 0.000 5.237 ( 0.000 0.000 0.000) 0.000 5.326 ( 0.000 0.000 -0.000) 0.000 5.365 ( 0.000 0.000 0.000) 0.000 5.447 ( 0.000 0.000 -0.000) 0.000 5.451 ( 0.000 0.000 0.000) 0.000 5.508 ( 0.000 0.000 -0.000) 0.000 5.576 ( 0.000 0.000 -0.000) 0.000 5.741 ( 0.000 0.000 0.000) 0.000 5.835 ( 0.000 0.000 0.000) 0.000 5.886 ( 0.000 0.000 -0.000) 0.000 6.000 ( 0.000 0.000 0.000) 0.000 6.027 ( 0.000 0.000 0.000) 0.000 6.176 ( 0.000 0.000 0.000) 0.000 6.190 ( 0.000 0.000 0.000) 0.000 6.289 ( 0.000 0.000 0.000) 0.000 6.578 ( 0.000 0.000 0.000) 0.000 6.628 ( 0.000 0.000 0.000) 0.000 6.693 ( 0.000 0.000 0.000) 0.000 6.717 ( 0.000 0.000 0.000) 0.000 6.728 ( 0.000 0.000 -0.000) 0.000 6.821 ( 0.000 0.000 -0.000) 0.000 6.870 ( 0.000 0.000 0.000) 0.000 7.214 ( 0.000 0.000 0.000) 0.000 7.270 ( 0.000 0.000 0.000) 0.000 7.285 ( 0.000 0.000 0.000) 0.000 7.389 ( 0.000 0.000 0.000) 0.000 7.414 ( 0.000 0.000 0.000) 0.000 7.574 ( 0.000 0.000 0.000) 0.000 7.670 ( 0.000 0.000 -0.000) 0.000 8.158 ( 0.000 0.000 0.000) 0.000 8.201 ( 0.000 0.000 0.000) 0.000 8.463 ( 0.000 0.000 -0.000) 0.000 8.737 ( 0.000 0.000 0.000) 0.000 8.845 ( 0.000 0.000 0.000) 0.000 9.084 ( 0.000 0.000 0.000) 0.000 9.206 ( 0.000 0.000 0.000) 0.000 9.240 ( 0.000 0.000 0.000) 0.000 9.415 ( 0.000 0.000 0.000) 0.000 9.654 ( 0.000 0.000 0.000) 0.000 9.750 ( 0.000 0.000 0.000) 0.000 10.022 ( 0.000 0.000 -0.000) 0.000 10.310 ( 0.000 0.000 0.000) 0.000 10.449 ( 0.000 0.000 -0.000) 0.000 10.628 ( 0.000 0.000 0.000) 0.000 10.639 ( 0.000 0.000 0.000) 0.000 10.658 ( 0.000 0.000 0.000) 0.000 10.690 ( 0.000 0.000 -0.000) 0.000 10.761 ( 0.000 0.000 0.000) 0.000 10.764 ( 0.000 0.000 0.000) 0.000 10.852 ( 0.000 0.000 0.000) 0.000 10.872 ( 0.000 0.000 -0.000) 0.000 10.900 ( 0.000 0.000 0.000) 0.000 11.018 ( 0.000 0.000 0.000) 0.000 11.141 ( 0.000 0.000 0.000) 0.000 11.170 ( 0.000 0.000 0.000) 0.000 11.259 ( 0.000 0.000 -0.000) 0.000 12.574 ( 0.000 0.000 0.000) 0.000 12.971 ( 0.000 0.000 -0.000) 0.000 13.019 ( 0.000 0.000 -0.000) 0.000 13.065 ( 0.000 0.000 0.000) 0.000 13.615 ( 0.000 0.000 0.000) 0.000 13.757 ( 0.000 0.000 -0.000) 0.000 13.805 ( 0.000 0.000 -0.000) 0.000 13.885 ( 0.000 0.000 0.000) 0.000 13.916 ( 0.000 0.000 -0.000) 0.000 14.206 ( 0.000 0.000 0.000) 0.000 14.293 ( 0.000 0.000 0.000) 0.000 14.332 ( 0.000 0.000 0.000) 0.000 14.352 ( 0.000 0.000 0.000) 0.000 14.454 ( 0.000 0.000 0.000) 0.000 14.560 ( 0.000 0.000 0.000) 0.000 14.700 ( 0.000 0.000 0.000) 0.000 15.218 ( 0.000 0.000 0.000) 0.000 15.292 ( 0.000 0.000 0.000) 0.000 15.586 ( 0.000 0.000 -0.000) 0.000 15.670 ( 0.000 0.000 -0.000) 0.000 15.761 ( 0.000 0.000 -0.000) 0.000 15.766 ( 0.000 0.000 -0.000) 0.000 15.776 ( 0.000 0.000 0.000) 0.000 15.784 ( 0.000 0.000 0.000) 0.000 16.470 ( 0.000 0.000 -0.000) 0.000 16.557 ( 0.000 0.000 0.000) 0.000 16.623 ( 0.000 0.000 0.000) 0.000 16.629 ( 0.000 0.000 0.000) 0.000 16.648 ( 0.000 0.000 0.000) 0.000 16.679 ( 0.000 0.000 -0.000) 0.000 16.692 ( 0.000 0.000 -0.000) 0.000 16.726 ( 0.000 0.000 0.000) 0.000 17.778 ( 0.000 0.000 0.000) 0.000 17.885 ( 0.000 0.000 0.000) 0.000 17.999 ( 0.000 0.000 0.000) 0.000 18.008 ( 0.000 0.000 -0.000) 0.000 18.341 ( 0.000 0.000 -0.000) 0.000 18.389 ( 0.000 0.000 -0.000) 0.000 18.399 ( 0.000 0.000 0.000) 0.000 18.684 ( 0.000 0.000 -0.000) 0.000 19.598 ( 0.000 0.000 -0.000) 0.000 19.745 ( 0.000 0.000 -0.000) 0.000 20.287 ( 0.000 0.000 0.000) 0.000 20.311 ( 0.000 0.000 0.000) 0.000 20.970 ( 0.000 0.000 0.000) 0.000 20.979 ( 0.000 0.000 0.000) 0.000 21.959 ( 0.000 0.000 0.000) 0.000 22.168 ( 0.000 0.000 -0.000) 0.000 27.876 ( 0.000 0.000 0.000) 0.000 27.961 ( 0.000 0.000 0.000) 0.000 28.027 ( 0.000 0.000 0.000) 0.000 28.066 ( 0.000 0.000 -0.000) 0.000 28.139 ( 0.000 0.000 -0.000) 0.000 28.185 ( 0.000 0.000 0.000) 0.000 28.452 ( 0.000 0.000 0.000) 0.000 28.579 ( 0.000 0.000 0.000) 0.000 28.684 ( 0.000 0.000 0.000) 0.000 28.719 ( 0.000 0.000 0.000) 0.000 29.130 ( 0.000 0.000 0.000) 0.000 29.169 ( 0.000 0.000 0.000) 0.000 29.304 ( 0.000 0.000 -0.000) 0.000 29.338 ( 0.000 0.000 -0.000) 0.000 29.450 ( 0.000 0.000 0.000) 0.000 29.641 ( 0.000 0.000 -0.000) 0.000 29.878 ( 0.000 0.000 0.000) 0.000 29.919 ( 0.000 0.000 0.000) 0.000 29.957 ( 0.000 0.000 0.000) 0.000 30.190 ( 0.000 0.000 0.000) 0.000 30.216 ( 0.000 0.000 0.000) 0.000 30.224 ( 0.000 0.000 0.000) 0.000 30.238 ( 0.000 0.000 0.000) 0.000 30.467 ( 0.000 0.000 0.000) 0.000 30.550 ( 0.000 0.000 0.000) 0.000 31.558 ( 0.000 0.000 -0.000) 0.000 31.653 ( 0.000 0.000 -0.000) 0.000 31.788 ( 0.000 0.000 0.000) 0.000 31.953 ( 0.000 0.000 0.000) 0.000 31.959 ( 0.000 0.000 -0.000) 0.000 32.433 ( 0.000 0.000 0.000) 0.000 32.663 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 1 (2/45) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.585 ( 30.202 0.000 0.000) 30.202 0.646 ( 33.859 0.000 0.000) 33.859 1.153 ( 56.454 0.000 0.000) 56.454 1.434 ( -0.854 0.000 0.000) 0.854 1.666 ( -10.674 0.000 0.000) 10.674 1.770 ( 2.482 0.000 0.000) 2.482 1.859 ( 7.664 0.000 0.000) 7.664 2.227 ( -2.293 0.000 0.000) 2.293 2.232 ( -1.979 0.000 0.000) 1.979 2.274 ( 0.101 0.000 0.000) 0.101 2.276 ( -4.344 0.000 0.000) 4.344 2.299 ( -7.663 0.000 0.000) 7.663 2.323 ( -1.215 0.000 0.000) 1.215 2.431 ( -6.208 0.000 0.000) 6.208 2.447 ( 5.635 0.000 0.000) 5.635 2.511 ( 3.122 0.000 0.000) 3.122 2.582 ( 4.019 0.000 0.000) 4.019 2.729 ( 1.173 0.000 0.000) 1.173 2.866 ( -0.680 0.000 0.000) 0.680 2.889 ( -1.591 0.000 0.000) 1.591 2.955 ( 2.275 0.000 0.000) 2.275 2.966 ( -0.686 0.000 0.000) 0.686 3.054 ( -10.582 0.000 0.000) 10.582 3.090 ( 1.394 0.000 0.000) 1.394 3.171 ( -5.093 0.000 0.000) 5.093 3.215 ( -3.804 0.000 0.000) 3.804 3.217 ( -5.936 0.000 0.000) 5.936 3.381 ( 2.331 0.000 0.000) 2.331 3.386 ( -6.725 0.000 0.000) 6.725 3.476 ( 4.057 0.000 0.000) 4.057 3.593 ( -4.816 0.000 0.000) 4.816 3.609 ( 6.360 0.000 0.000) 6.360 3.633 ( 6.047 0.000 0.000) 6.047 3.673 ( -7.912 0.000 0.000) 7.912 3.818 ( -1.898 0.000 0.000) 1.898 3.917 ( -7.477 0.000 0.000) 7.477 3.926 ( 6.904 0.000 0.000) 6.904 4.129 ( -0.025 0.000 0.000) 0.025 4.180 ( -0.417 0.000 0.000) 0.417 4.261 ( -4.590 0.000 0.000) 4.590 4.342 ( 3.821 0.000 0.000) 3.821 4.350 ( 0.494 0.000 0.000) 0.494 4.429 ( 4.594 0.000 0.000) 4.594 4.484 ( 4.341 0.000 0.000) 4.341 4.499 ( 3.940 0.000 0.000) 3.940 4.528 ( 6.471 0.000 0.000) 6.471 4.601 ( -0.377 0.000 0.000) 0.377 4.659 ( -7.313 0.000 0.000) 7.313 4.745 ( -4.861 0.000 0.000) 4.861 4.747 ( 3.436 0.000 0.000) 3.436 4.847 ( -6.936 0.000 0.000) 6.936 4.891 ( -0.188 0.000 0.000) 0.188 4.956 ( 2.075 0.000 0.000) 2.075 5.017 ( -2.016 0.000 0.000) 2.016 5.070 ( 0.800 0.000 0.000) 0.800 5.088 ( -2.119 0.000 0.000) 2.119 5.278 ( -2.298 0.000 0.000) 2.298 5.286 ( 3.559 0.000 0.000) 3.559 5.388 ( -2.193 0.000 0.000) 2.193 5.438 ( -6.678 0.000 0.000) 6.678 5.547 ( 6.711 0.000 0.000) 6.711 5.584 ( 2.593 0.000 0.000) 2.593 5.635 ( -2.961 0.000 0.000) 2.961 5.750 ( -4.419 0.000 0.000) 4.419 5.781 ( -1.144 0.000 0.000) 1.144 5.937 ( 2.976 0.000 0.000) 2.976 6.001 ( -2.551 0.000 0.000) 2.551 6.044 ( 4.750 0.000 0.000) 4.750 6.074 ( -7.739 0.000 0.000) 7.739 6.218 ( 1.733 0.000 0.000) 1.733 6.274 ( -0.925 0.000 0.000) 0.925 6.400 ( -11.536 0.000 0.000) 11.536 6.729 ( 2.348 0.000 0.000) 2.348 6.758 ( 5.118 0.000 0.000) 5.118 6.824 ( 11.625 0.000 0.000) 11.625 6.851 ( -1.639 0.000 0.000) 1.639 6.875 ( 2.662 0.000 0.000) 2.662 7.168 ( -4.478 0.000 0.000) 4.478 7.246 ( -2.084 0.000 0.000) 2.084 7.251 ( -1.858 0.000 0.000) 1.858 7.346 ( 1.992 0.000 0.000) 1.992 7.377 ( -0.521 0.000 0.000) 0.521 7.442 ( 2.072 0.000 0.000) 2.072 7.542 ( -2.830 0.000 0.000) 2.830 7.784 ( 6.022 0.000 0.000) 6.022 8.116 ( -8.118 0.000 0.000) 8.118 8.389 ( 1.345 0.000 0.000) 1.345 8.450 ( -1.262 0.000 0.000) 1.262 8.742 ( 0.644 0.000 0.000) 0.644 8.814 ( -2.679 0.000 0.000) 2.679 9.149 ( 5.997 0.000 0.000) 5.997 9.248 ( 3.590 0.000 0.000) 3.590 9.273 ( 2.407 0.000 0.000) 2.407 9.379 ( -3.821 0.000 0.000) 3.821 9.668 ( 1.444 0.000 0.000) 1.444 9.738 ( -1.298 0.000 0.000) 1.298 10.058 ( 3.801 0.000 0.000) 3.801 10.266 ( -4.554 0.000 0.000) 4.554 10.480 ( 3.416 0.000 0.000) 3.416 10.618 ( -0.364 0.000 0.000) 0.364 10.651 ( -0.305 0.000 0.000) 0.305 10.704 ( -4.749 0.000 0.000) 4.749 10.757 ( 5.693 0.000 0.000) 5.693 10.790 ( 2.639 0.000 0.000) 2.639 10.835 ( -1.314 0.000 0.000) 1.314 10.871 ( -0.689 0.000 0.000) 0.689 10.886 ( 5.438 0.000 0.000) 5.438 11.088 ( 5.366 0.000 0.000) 5.366 11.144 ( 0.314 0.000 0.000) 0.314 11.167 ( -0.213 0.000 0.000) 0.213 11.235 ( -2.757 0.000 0.000) 2.757 11.389 ( -9.721 0.000 0.000) 9.721 12.626 ( 5.126 0.000 0.000) 5.126 12.896 ( -6.611 0.000 0.000) 6.611 13.033 ( 1.362 0.000 0.000) 1.362 13.075 ( 0.145 0.000 0.000) 0.145 13.646 ( 3.061 0.000 0.000) 3.061 13.781 ( -2.494 0.000 0.000) 2.494 13.883 ( -0.049 0.000 0.000) 0.049 13.906 ( -0.889 0.000 0.000) 0.889 14.134 ( 1.429 0.000 0.000) 1.429 14.195 ( -1.156 0.000 0.000) 1.156 14.333 ( 0.083 0.000 0.000) 0.083 14.346 ( -0.495 0.000 0.000) 0.495 14.460 ( 0.629 0.000 0.000) 0.629 14.494 ( -0.782 0.000 0.000) 0.782 14.582 ( 2.177 0.000 0.000) 2.177 14.681 ( -1.948 0.000 0.000) 1.948 15.228 ( 1.004 0.000 0.000) 1.004 15.280 ( -1.180 0.000 0.000) 1.180 15.603 ( 1.560 0.000 0.000) 1.560 15.662 ( -0.889 0.000 0.000) 0.889 15.767 ( 0.147 0.000 0.000) 0.147 15.775 ( -0.143 0.000 0.000) 0.143 15.787 ( 0.286 0.000 0.000) 0.286 15.801 ( -0.298 0.000 0.000) 0.298 16.475 ( 0.564 0.000 0.000) 0.564 16.534 ( -2.035 0.000 0.000) 2.035 16.626 ( 0.322 0.000 0.000) 0.322 16.633 ( 0.208 0.000 0.000) 0.208 16.653 ( 0.419 0.000 0.000) 0.419 16.674 ( -0.498 0.000 0.000) 0.498 16.746 ( 1.978 0.000 0.000) 1.978 16.839 ( -1.877 0.000 0.000) 1.877 17.813 ( 3.452 0.000 0.000) 3.452 17.910 ( 2.225 0.000 0.000) 2.225 17.965 ( -3.033 0.000 0.000) 3.033 17.999 ( -1.356 0.000 0.000) 1.356 18.345 ( 0.499 0.000 0.000) 0.499 18.379 ( -0.929 0.000 0.000) 0.929 18.647 ( 0.735 0.000 0.000) 0.735 18.679 ( -0.587 0.000 0.000) 0.587 19.617 ( 2.023 0.000 0.000) 2.023 19.722 ( -2.350 0.000 0.000) 2.350 20.290 ( 0.302 0.000 0.000) 0.302 20.307 ( -0.395 0.000 0.000) 0.395 20.971 ( 0.123 0.000 0.000) 0.123 20.977 ( -0.147 0.000 0.000) 0.147 22.170 ( 0.206 0.000 0.000) 0.206 22.180 ( -0.187 0.000 0.000) 0.187 27.887 ( 1.072 0.000 0.000) 1.072 27.946 ( -1.439 0.000 0.000) 1.439 28.035 ( 0.723 0.000 0.000) 0.723 28.063 ( -0.419 0.000 0.000) 0.419 28.142 ( 0.413 0.000 0.000) 0.413 28.174 ( -0.983 0.000 0.000) 0.983 28.477 ( 2.376 0.000 0.000) 2.376 28.576 ( -1.905 0.000 0.000) 1.905 28.691 ( 0.735 0.000 0.000) 0.735 28.717 ( -0.263 0.000 0.000) 0.263 29.164 ( 3.508 0.000 0.000) 3.508 29.204 ( 3.409 0.000 0.000) 3.409 29.316 ( -2.021 0.000 0.000) 2.021 29.391 ( -5.509 0.000 0.000) 5.509 29.672 ( 3.143 0.000 0.000) 3.143 29.768 ( -0.502 0.000 0.000) 0.502 29.891 ( 1.127 0.000 0.000) 1.127 29.920 ( -0.034 0.000 0.000) 0.034 29.965 ( 1.235 0.000 0.000) 1.235 30.177 ( -5.595 0.000 0.000) 5.595 30.196 ( -0.158 0.000 0.000) 0.158 30.211 ( -0.409 0.000 0.000) 0.409 30.250 ( 1.196 0.000 0.000) 1.196 30.368 ( -6.901 0.000 0.000) 6.901 31.596 ( 5.661 0.000 0.000) 5.661 31.652 ( -0.114 0.000 0.000) 0.114 31.719 ( 2.366 0.000 0.000) 2.366 31.898 ( 10.609 0.000 0.000) 10.609 31.919 ( -4.058 0.000 0.000) 4.058 32.347 ( -8.471 0.000 0.000) 8.471 32.693 ( 2.528 0.000 0.000) 2.528 32.781 ( -1.506 0.000 0.000) 1.506 ======================= Grid point 2 (3/45) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( -24.654 0.000 0.000) 24.654 1.117 ( 24.654 0.000 0.000) 24.654 1.245 ( -28.110 0.000 0.000) 28.110 1.245 ( 28.110 0.000 0.000) 28.110 1.932 ( -5.160 0.000 0.000) 5.160 1.932 ( 5.160 0.000 0.000) 5.160 2.064 ( -29.237 0.000 0.000) 29.237 2.064 ( 29.237 0.000 0.000) 29.237 2.188 ( -5.959 0.000 0.000) 5.959 2.188 ( 5.959 0.000 0.000) 5.959 2.247 ( -0.694 0.000 0.000) 0.694 2.247 ( 0.694 0.000 0.000) 0.694 2.299 ( -1.311 0.000 0.000) 1.311 2.299 ( 1.311 0.000 0.000) 1.311 2.542 ( -3.789 0.000 0.000) 3.789 2.542 ( 3.789 0.000 0.000) 3.789 2.709 ( -14.186 0.000 0.000) 14.186 2.709 ( 14.186 0.000 0.000) 14.186 2.853 ( -5.992 0.000 0.000) 5.992 2.853 ( 5.992 0.000 0.000) 5.992 2.921 ( -5.103 0.000 0.000) 5.103 2.921 ( 5.103 0.000 0.000) 5.103 3.032 ( -5.993 0.000 0.000) 5.993 3.032 ( 5.993 0.000 0.000) 5.993 3.120 ( -2.476 0.000 0.000) 2.476 3.120 ( 2.476 0.000 0.000) 2.476 3.228 ( -5.497 0.000 0.000) 5.497 3.228 ( 5.497 0.000 0.000) 5.497 3.491 ( -8.696 0.000 0.000) 8.696 3.491 ( 8.696 0.000 0.000) 8.696 3.539 ( -2.948 0.000 0.000) 2.948 3.539 ( 2.948 0.000 0.000) 2.948 3.732 ( -5.536 0.000 0.000) 5.536 3.732 ( 5.536 0.000 0.000) 5.536 3.770 ( -8.489 0.000 0.000) 8.489 3.770 ( 8.489 0.000 0.000) 8.489 4.045 ( -5.170 0.000 0.000) 5.170 4.045 ( 5.170 0.000 0.000) 5.170 4.248 ( -4.796 0.000 0.000) 4.796 4.248 ( 4.796 0.000 0.000) 4.796 4.361 ( -2.093 0.000 0.000) 2.093 4.361 ( 2.093 0.000 0.000) 2.093 4.482 ( -2.269 0.000 0.000) 2.269 4.482 ( 2.269 0.000 0.000) 2.269 4.572 ( -0.998 0.000 0.000) 0.998 4.572 ( 0.998 0.000 0.000) 0.998 4.611 ( -3.972 0.000 0.000) 3.972 4.611 ( 3.972 0.000 0.000) 3.972 4.709 ( -5.697 0.000 0.000) 5.697 4.709 ( 5.697 0.000 0.000) 5.697 4.856 ( -5.096 0.000 0.000) 5.096 4.856 ( 5.096 0.000 0.000) 5.096 4.994 ( -1.613 0.000 0.000) 1.613 4.994 ( 1.613 0.000 0.000) 1.613 5.062 ( -2.944 0.000 0.000) 2.944 5.062 ( 2.944 0.000 0.000) 2.944 5.291 ( -4.475 0.000 0.000) 4.475 5.291 ( 4.475 0.000 0.000) 4.475 5.348 ( -0.869 0.000 0.000) 0.869 5.348 ( 0.869 0.000 0.000) 0.869 5.603 ( -0.015 0.000 0.000) 0.015 5.603 ( 0.015 0.000 0.000) 0.015 5.647 ( -5.621 0.000 0.000) 5.621 5.647 ( 5.621 0.000 0.000) 5.621 5.887 ( -9.132 0.000 0.000) 9.132 5.887 ( 9.132 0.000 0.000) 9.132 5.981 ( -2.176 0.000 0.000) 2.176 5.981 ( 2.176 0.000 0.000) 2.176 6.177 ( -8.413 0.000 0.000) 8.413 6.177 ( 8.413 0.000 0.000) 8.413 6.263 ( -0.101 0.000 0.000) 0.101 6.263 ( 0.101 0.000 0.000) 0.101 6.778 ( -2.607 0.000 0.000) 2.607 6.778 ( 2.607 0.000 0.000) 2.607 6.870 ( -2.711 0.000 0.000) 2.711 6.870 ( 2.711 0.000 0.000) 2.711 7.038 ( -9.546 0.000 0.000) 9.546 7.038 ( 9.546 0.000 0.000) 9.546 7.226 ( -0.182 0.000 0.000) 0.182 7.226 ( 0.182 0.000 0.000) 0.182 7.370 ( -0.555 0.000 0.000) 0.555 7.370 ( 0.555 0.000 0.000) 0.555 7.487 ( -2.722 0.000 0.000) 2.722 7.487 ( 2.722 0.000 0.000) 2.722 7.938 ( -9.642 0.000 0.000) 9.642 7.938 ( 9.642 0.000 0.000) 9.642 8.420 ( -1.802 0.000 0.000) 1.802 8.420 ( 1.802 0.000 0.000) 1.802 8.766 ( -1.997 0.000 0.000) 1.997 8.766 ( 1.997 0.000 0.000) 1.997 9.272 ( -5.740 0.000 0.000) 5.740 9.272 ( 5.740 0.000 0.000) 5.740 9.299 ( -1.569 0.000 0.000) 1.569 9.299 ( 1.569 0.000 0.000) 1.569 9.704 ( -2.094 0.000 0.000) 2.094 9.704 ( 2.094 0.000 0.000) 2.094 10.157 ( -6.197 0.000 0.000) 6.197 10.157 ( 6.197 0.000 0.000) 6.197 10.569 ( -5.254 0.000 0.000) 5.254 10.569 ( 5.254 0.000 0.000) 5.254 10.647 ( -0.214 0.000 0.000) 0.214 10.647 ( 0.214 0.000 0.000) 0.214 10.805 ( -1.748 0.000 0.000) 1.748 10.805 ( 1.748 0.000 0.000) 1.748 10.846 ( -2.083 0.000 0.000) 2.083 10.846 ( 2.083 0.000 0.000) 2.083 11.104 ( -12.916 0.000 0.000) 12.916 11.104 ( 12.916 0.000 0.000) 12.916 11.151 ( -0.183 0.000 0.000) 0.183 11.151 ( 0.183 0.000 0.000) 0.183 11.204 ( -6.032 0.000 0.000) 6.032 11.204 ( 6.032 0.000 0.000) 6.032 12.754 ( -7.808 0.000 0.000) 7.808 12.754 ( 7.808 0.000 0.000) 7.808 13.062 ( -1.397 0.000 0.000) 1.397 13.062 ( 1.397 0.000 0.000) 1.397 13.717 ( -3.980 0.000 0.000) 3.980 13.717 ( 3.980 0.000 0.000) 3.980 13.889 ( -0.720 0.000 0.000) 0.720 13.889 ( 0.720 0.000 0.000) 0.720 14.166 ( -1.746 0.000 0.000) 1.746 14.166 ( 1.746 0.000 0.000) 1.746 14.337 ( -0.381 0.000 0.000) 0.381 14.337 ( 0.381 0.000 0.000) 0.381 14.476 ( -0.994 0.000 0.000) 0.994 14.476 ( 0.994 0.000 0.000) 0.994 14.633 ( -2.879 0.000 0.000) 2.879 14.633 ( 2.879 0.000 0.000) 2.879 15.253 ( -1.518 0.000 0.000) 1.518 15.253 ( 1.518 0.000 0.000) 1.518 15.636 ( -1.746 0.000 0.000) 1.746 15.636 ( 1.746 0.000 0.000) 1.746 15.771 ( -0.215 0.000 0.000) 0.215 15.771 ( 0.215 0.000 0.000) 0.215 15.794 ( -0.419 0.000 0.000) 0.419 15.794 ( 0.419 0.000 0.000) 0.419 16.496 ( -1.684 0.000 0.000) 1.684 16.496 ( 1.684 0.000 0.000) 1.684 16.632 ( -0.233 0.000 0.000) 0.233 16.632 ( 0.233 0.000 0.000) 0.233 16.663 ( -0.610 0.000 0.000) 0.610 16.663 ( 0.610 0.000 0.000) 0.610 16.793 ( -2.742 0.000 0.000) 2.742 16.793 ( 2.742 0.000 0.000) 2.742 17.892 ( -4.440 0.000 0.000) 4.440 17.892 ( 4.440 0.000 0.000) 4.440 17.959 ( -2.638 0.000 0.000) 2.638 17.959 ( 2.638 0.000 0.000) 2.638 18.360 ( -1.001 0.000 0.000) 1.001 18.360 ( 1.001 0.000 0.000) 1.001 18.664 ( -0.926 0.000 0.000) 0.926 18.664 ( 0.926 0.000 0.000) 0.926 19.668 ( -3.085 0.000 0.000) 3.085 19.668 ( 3.085 0.000 0.000) 3.085 20.298 ( -0.488 0.000 0.000) 0.488 20.298 ( 0.488 0.000 0.000) 0.488 20.974 ( -0.189 0.000 0.000) 0.189 20.974 ( 0.189 0.000 0.000) 0.189 22.175 ( -0.278 0.000 0.000) 0.278 22.175 ( 0.278 0.000 0.000) 0.278 27.914 ( -1.744 0.000 0.000) 1.744 27.914 ( 1.744 0.000 0.000) 1.744 28.051 ( -0.819 0.000 0.000) 0.819 28.051 ( 0.819 0.000 0.000) 0.819 28.155 ( -0.894 0.000 0.000) 0.894 28.155 ( 0.894 0.000 0.000) 0.894 28.529 ( -2.842 0.000 0.000) 2.842 28.529 ( 2.842 0.000 0.000) 2.842 28.707 ( -0.778 0.000 0.000) 0.778 28.707 ( 0.778 0.000 0.000) 0.778 29.252 ( -4.960 0.000 0.000) 4.960 29.252 ( 4.960 0.000 0.000) 4.960 29.282 ( -4.877 0.000 0.000) 4.877 29.282 ( 4.877 0.000 0.000) 4.877 29.738 ( -2.935 0.000 0.000) 2.935 29.738 ( 2.935 0.000 0.000) 2.935 29.912 ( -0.867 0.000 0.000) 0.867 29.912 ( 0.867 0.000 0.000) 0.867 30.034 ( -6.650 0.000 0.000) 6.650 30.034 ( 6.650 0.000 0.000) 6.650 30.202 ( -0.455 0.000 0.000) 0.455 30.202 ( 0.455 0.000 0.000) 0.455 30.284 ( -2.594 0.000 0.000) 2.594 30.284 ( 2.594 0.000 0.000) 2.594 31.646 ( -0.689 0.000 0.000) 0.689 31.646 ( 0.689 0.000 0.000) 0.689 31.816 ( -6.351 0.000 0.000) 6.351 31.816 ( 6.351 0.000 0.000) 6.351 32.137 ( -13.039 0.000 0.000) 13.039 32.137 ( 13.039 0.000 0.000) 13.039 32.742 ( -2.464 0.000 0.000) 2.464 32.742 ( 2.464 0.000 0.000) 2.464 ======================= Grid point 5 (4/45) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.559 ( 0.000 30.026 0.000) 30.026 0.649 ( 0.000 33.351 0.000) 33.351 1.126 ( 0.000 54.104 0.000) 54.104 1.420 ( 0.000 7.707 0.000) 7.707 1.844 ( 0.000 14.214 0.000) 14.214 1.848 ( 0.000 -0.525 0.000) 0.525 1.883 ( 0.000 2.843 0.000) 2.843 2.221 ( 0.000 -2.784 0.000) 2.784 2.230 ( 0.000 0.436 0.000) 0.436 2.262 ( 0.000 -1.602 0.000) 1.602 2.378 ( 0.000 1.849 0.000) 1.849 2.401 ( 0.000 -2.055 0.000) 2.055 2.411 ( 0.000 1.574 0.000) 1.574 2.483 ( 0.000 1.328 0.000) 1.328 2.488 ( 0.000 7.255 0.000) 7.255 2.601 ( 0.000 3.203 0.000) 3.203 2.669 ( 0.000 10.463 0.000) 10.463 2.707 ( 0.000 6.805 0.000) 6.805 2.788 ( 0.000 -8.756 0.000) 8.756 2.810 ( 0.000 -4.775 0.000) 4.775 2.921 ( 0.000 2.303 0.000) 2.303 2.993 ( 0.000 4.350 0.000) 4.350 3.079 ( 0.000 -5.484 0.000) 5.484 3.086 ( 0.000 -0.770 0.000) 0.770 3.177 ( 0.000 -0.736 0.000) 0.736 3.253 ( 0.000 1.249 0.000) 1.249 3.303 ( 0.000 -1.346 0.000) 1.346 3.345 ( 0.000 -1.013 0.000) 1.013 3.431 ( 0.000 -2.900 0.000) 2.900 3.483 ( 0.000 8.122 0.000) 8.122 3.501 ( 0.000 0.196 0.000) 0.196 3.532 ( 0.000 -0.996 0.000) 0.996 3.566 ( 0.000 -15.703 0.000) 15.703 3.770 ( 0.000 1.059 0.000) 1.059 3.813 ( 0.000 2.703 0.000) 2.703 4.007 ( 0.000 17.572 0.000) 17.572 4.067 ( 0.000 -0.799 0.000) 0.799 4.126 ( 0.000 -1.420 0.000) 1.420 4.161 ( 0.000 -4.409 0.000) 4.409 4.266 ( 0.000 7.616 0.000) 7.616 4.268 ( 0.000 2.848 0.000) 2.848 4.328 ( 0.000 -5.333 0.000) 5.333 4.351 ( 0.000 -9.250 0.000) 9.250 4.462 ( 0.000 2.893 0.000) 2.893 4.540 ( 0.000 3.206 0.000) 3.206 4.584 ( 0.000 3.000 0.000) 3.000 4.690 ( 0.000 13.950 0.000) 13.950 4.722 ( 0.000 5.205 0.000) 5.205 4.738 ( 0.000 -11.578 0.000) 11.578 4.797 ( 0.000 -2.807 0.000) 2.807 4.805 ( 0.000 1.656 0.000) 1.656 4.894 ( 0.000 -3.985 0.000) 3.985 4.904 ( 0.000 5.649 0.000) 5.649 5.071 ( 0.000 -2.929 0.000) 2.929 5.111 ( 0.000 5.251 0.000) 5.251 5.209 ( 0.000 4.922 0.000) 4.922 5.229 ( 0.000 -1.040 0.000) 1.040 5.316 ( 0.000 -3.063 0.000) 3.063 5.381 ( 0.000 2.706 0.000) 2.706 5.417 ( 0.000 -0.118 0.000) 0.118 5.501 ( 0.000 0.998 0.000) 0.998 5.528 ( 0.000 1.233 0.000) 1.233 5.605 ( 0.000 1.739 0.000) 1.739 5.778 ( 0.000 -5.655 0.000) 5.655 5.791 ( 0.000 -5.715 0.000) 5.715 5.850 ( 0.000 4.169 0.000) 4.169 6.063 ( 0.000 3.634 0.000) 3.634 6.140 ( 0.000 -4.276 0.000) 4.276 6.192 ( 0.000 0.086 0.000) 0.086 6.267 ( 0.000 3.019 0.000) 3.019 6.410 ( 0.000 0.273 0.000) 0.273 6.509 ( 0.000 -5.448 0.000) 5.448 6.656 ( 0.000 -5.979 0.000) 5.979 6.664 ( 0.000 2.731 0.000) 2.731 6.705 ( 0.000 0.742 0.000) 0.742 6.754 ( 0.000 1.676 0.000) 1.676 6.835 ( 0.000 -3.461 0.000) 3.461 6.863 ( 0.000 3.620 0.000) 3.620 7.273 ( 0.000 0.969 0.000) 0.969 7.273 ( 0.000 -0.403 0.000) 0.403 7.406 ( 0.000 2.258 0.000) 2.258 7.415 ( 0.000 5.868 0.000) 5.868 7.595 ( 0.000 2.179 0.000) 2.179 7.671 ( 0.000 -0.017 0.000) 0.017 7.816 ( 0.000 0.677 0.000) 0.677 8.116 ( 0.000 -3.723 0.000) 3.723 8.206 ( 0.000 0.423 0.000) 0.423 8.486 ( 0.000 1.710 0.000) 1.710 8.766 ( 0.000 2.852 0.000) 2.852 8.864 ( 0.000 1.918 0.000) 1.918 9.078 ( 0.000 -0.973 0.000) 0.973 9.209 ( 0.000 0.103 0.000) 0.103 9.267 ( 0.000 2.506 0.000) 2.506 9.396 ( 0.000 -1.410 0.000) 1.410 9.606 ( 0.000 -4.991 0.000) 4.991 9.737 ( 0.000 -4.724 0.000) 4.724 9.990 ( 0.000 -4.009 0.000) 4.009 10.289 ( 0.000 -4.417 0.000) 4.417 10.437 ( 0.000 -14.078 0.000) 14.078 10.475 ( 0.000 2.577 0.000) 2.577 10.504 ( 0.000 -6.456 0.000) 6.456 10.658 ( 0.000 0.231 0.000) 0.231 10.749 ( 0.000 2.631 0.000) 2.631 10.760 ( 0.000 -0.057 0.000) 0.057 10.798 ( 0.000 1.396 0.000) 1.396 10.848 ( 0.000 -0.734 0.000) 0.734 10.871 ( 0.000 0.096 0.000) 0.096 10.937 ( 0.000 5.556 0.000) 5.556 11.008 ( 0.000 -1.078 0.000) 1.078 11.245 ( 0.000 -0.643 0.000) 0.643 11.351 ( 0.000 11.866 0.000) 11.866 11.896 ( 0.000 -16.405 0.000) 16.405 12.583 ( 0.000 1.199 0.000) 1.199 12.955 ( 0.000 -1.309 0.000) 1.309 13.015 ( 0.000 -1.107 0.000) 1.107 13.024 ( 0.000 -4.557 0.000) 4.557 13.765 ( 0.000 -0.029 0.000) 0.029 13.772 ( 0.000 1.629 0.000) 1.629 13.874 ( 0.000 4.468 0.000) 4.468 13.928 ( 0.000 4.107 0.000) 4.107 13.938 ( 0.000 2.304 0.000) 2.304 14.231 ( 0.000 2.154 0.000) 2.154 14.263 ( 0.000 -5.495 0.000) 5.495 14.316 ( 0.000 -0.061 0.000) 0.061 14.446 ( 0.000 -2.364 0.000) 2.364 14.505 ( 0.000 -1.725 0.000) 1.725 14.558 ( 0.000 0.642 0.000) 0.642 14.684 ( 0.000 -1.447 0.000) 1.447 15.219 ( 0.000 0.046 0.000) 0.046 15.284 ( 0.000 -0.905 0.000) 0.905 15.595 ( 0.000 0.732 0.000) 0.732 15.689 ( 0.000 -1.615 0.000) 1.615 15.722 ( 0.000 -1.855 0.000) 1.855 15.722 ( 0.000 -2.604 0.000) 2.604 15.812 ( 0.000 2.526 0.000) 2.526 15.841 ( 0.000 2.859 0.000) 2.859 16.472 ( 0.000 0.261 0.000) 0.261 16.548 ( 0.000 -0.798 0.000) 0.798 16.622 ( 0.000 0.012 0.000) 0.012 16.626 ( 0.000 -0.252 0.000) 0.252 16.642 ( 0.000 -2.475 0.000) 2.475 16.688 ( 0.000 -0.402 0.000) 0.402 16.741 ( 0.000 -1.242 0.000) 1.242 16.770 ( 0.000 2.281 0.000) 2.281 17.800 ( 0.000 2.120 0.000) 2.120 17.893 ( 0.000 0.881 0.000) 0.881 18.040 ( 0.000 2.992 0.000) 2.992 18.235 ( 0.000 -0.450 0.000) 0.450 18.388 ( 0.000 4.150 0.000) 4.150 18.404 ( 0.000 0.576 0.000) 0.576 18.406 ( 0.000 1.542 0.000) 1.542 18.689 ( 0.000 0.424 0.000) 0.424 19.627 ( 0.000 3.046 0.000) 3.046 19.763 ( 0.000 1.875 0.000) 1.875 20.252 ( 0.000 -3.433 0.000) 3.433 20.517 ( 0.000 -6.407 0.000) 6.407 21.027 ( 0.000 5.124 0.000) 5.124 21.036 ( 0.000 5.630 0.000) 5.630 21.914 ( 0.000 -4.610 0.000) 4.610 22.101 ( 0.000 -6.740 0.000) 6.740 27.897 ( 0.000 1.911 0.000) 1.911 28.034 ( 0.000 0.630 0.000) 0.630 28.066 ( 0.000 -1.151 0.000) 1.151 28.066 ( 0.000 -0.031 0.000) 0.031 28.140 ( 0.000 0.155 0.000) 0.155 28.184 ( 0.000 -0.030 0.000) 0.030 28.472 ( 0.000 -0.026 0.000) 0.026 28.573 ( 0.000 -1.092 0.000) 1.092 28.677 ( 0.000 -0.556 0.000) 0.556 28.706 ( 0.000 -1.380 0.000) 1.380 29.066 ( 0.000 -8.764 0.000) 8.764 29.090 ( 0.000 -9.287 0.000) 9.287 29.257 ( 0.000 -1.239 0.000) 1.239 29.379 ( 0.000 3.918 0.000) 3.918 29.453 ( 0.000 -0.408 0.000) 0.408 29.772 ( 0.000 -7.645 0.000) 7.645 29.816 ( 0.000 -7.818 0.000) 7.818 29.931 ( 0.000 2.490 0.000) 2.490 30.096 ( 0.000 2.153 0.000) 2.153 30.234 ( 0.000 4.183 0.000) 4.183 30.261 ( 0.000 5.158 0.000) 5.158 30.400 ( 0.000 10.569 0.000) 10.569 30.473 ( 0.000 0.663 0.000) 0.663 30.554 ( 0.000 0.530 0.000) 0.530 31.433 ( 0.000 0.594 0.000) 0.594 31.536 ( 0.000 -2.339 0.000) 2.339 31.827 ( 0.000 4.262 0.000) 4.262 31.890 ( 0.000 -3.712 0.000) 3.712 32.032 ( 0.000 4.847 0.000) 4.847 32.410 ( 0.000 2.312 0.000) 2.312 32.441 ( 0.000 1.058 0.000) 1.058 32.631 ( 0.000 -5.803 0.000) 5.803 ======================= Grid point 6 (5/45) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( 22.473 22.004 0.000) 31.452 0.963 ( 23.890 22.442 0.000) 32.778 1.494 ( 35.729 33.588 0.000) 49.038 1.636 ( 4.900 15.964 0.000) 16.699 1.717 ( -11.545 3.446 0.000) 12.049 1.820 ( 5.944 -0.710 0.000) 5.986 1.957 ( 8.210 12.645 0.000) 15.077 2.210 ( -1.593 -1.215 0.000) 2.003 2.213 ( -1.173 -2.082 0.000) 2.390 2.273 ( -5.049 0.910 0.000) 5.131 2.286 ( 2.241 1.172 0.000) 2.529 2.360 ( -3.438 0.132 0.000) 3.441 2.403 ( -2.939 2.161 0.000) 3.648 2.496 ( 0.675 8.131 0.000) 8.159 2.519 ( 1.225 5.431 0.000) 5.568 2.552 ( -4.027 6.768 0.000) 7.875 2.650 ( -2.405 7.555 0.000) 7.929 2.690 ( 2.199 0.442 0.000) 2.243 2.767 ( -1.510 -8.751 0.000) 8.880 2.840 ( 1.840 -3.805 0.000) 4.226 2.932 ( -5.467 -1.954 0.000) 5.806 2.979 ( -1.153 0.640 0.000) 1.318 3.036 ( -0.124 1.191 0.000) 1.197 3.073 ( -1.216 -4.760 0.000) 4.913 3.156 ( -0.771 2.665 0.000) 2.774 3.198 ( -4.317 2.196 0.000) 4.843 3.263 ( -2.628 0.015 0.000) 2.628 3.339 ( -1.404 -0.834 0.000) 1.633 3.419 ( -2.674 -1.483 0.000) 3.058 3.462 ( -3.095 -2.053 0.000) 3.714 3.489 ( 1.648 0.478 0.000) 1.716 3.598 ( -2.146 -1.492 0.000) 2.614 3.639 ( 4.349 -5.800 0.000) 7.249 3.657 ( -3.057 -1.377 0.000) 3.353 3.906 ( 0.826 9.301 0.000) 9.338 3.990 ( 0.622 -1.211 0.000) 1.361 4.007 ( -0.512 13.819 0.000) 13.829 4.111 ( -2.203 -2.002 0.000) 2.976 4.209 ( 3.952 4.284 0.000) 5.828 4.224 ( -3.096 -1.132 0.000) 3.297 4.300 ( 0.965 -7.410 0.000) 7.473 4.355 ( 4.918 -2.531 0.000) 5.531 4.392 ( 2.849 -3.458 0.000) 4.481 4.457 ( 0.137 -0.819 0.000) 0.830 4.476 ( -1.172 4.753 0.000) 4.895 4.606 ( -1.530 0.181 0.000) 1.541 4.665 ( -1.524 -4.582 0.000) 4.828 4.689 ( -3.210 7.263 0.000) 7.941 4.709 ( -3.682 -1.258 0.000) 3.891 4.782 ( 1.430 4.811 0.000) 5.019 4.828 ( -4.460 -0.914 0.000) 4.552 4.866 ( 1.876 2.757 0.000) 3.335 4.934 ( 0.631 1.048 0.000) 1.223 5.028 ( 0.246 -1.643 0.000) 1.661 5.117 ( -1.658 4.771 0.000) 5.051 5.166 ( -3.680 3.274 0.000) 4.925 5.239 ( 0.113 -2.434 0.000) 2.437 5.325 ( 2.205 2.575 0.000) 3.390 5.420 ( 2.029 -0.638 0.000) 2.127 5.424 ( -2.273 0.605 0.000) 2.352 5.484 ( -0.145 -3.377 0.000) 3.380 5.551 ( 1.240 2.356 0.000) 2.662 5.636 ( 3.779 -0.201 0.000) 3.785 5.768 ( -0.371 -2.417 0.000) 2.445 5.807 ( -1.523 3.236 0.000) 3.577 5.853 ( 1.417 -4.655 0.000) 4.866 6.028 ( -2.563 3.443 0.000) 4.293 6.082 ( -3.398 -1.150 0.000) 3.587 6.142 ( -3.024 3.849 0.000) 4.895 6.252 ( -1.934 1.480 0.000) 2.435 6.328 ( -1.977 5.566 0.000) 5.907 6.426 ( -7.552 1.436 0.000) 7.688 6.669 ( 1.937 -5.507 0.000) 5.837 6.699 ( 4.212 -3.479 0.000) 5.463 6.795 ( -1.782 -4.929 0.000) 5.241 6.827 ( 7.187 -1.684 0.000) 7.382 6.844 ( 3.401 -4.558 0.000) 5.687 6.967 ( 4.427 -4.883 0.000) 6.591 7.252 ( -0.464 1.699 0.000) 1.762 7.308 ( 2.070 2.555 0.000) 3.288 7.383 ( -0.804 4.301 0.000) 4.375 7.448 ( 1.199 3.857 0.000) 4.039 7.520 ( -3.576 3.428 0.000) 4.954 7.649 ( -7.104 8.182 0.000) 10.836 7.782 ( 6.631 -0.109 0.000) 6.632 8.122 ( -7.967 0.664 0.000) 7.994 8.270 ( 8.147 -7.701 0.000) 11.211 8.465 ( -2.494 0.563 0.000) 2.556 8.770 ( 0.575 2.743 0.000) 2.802 8.837 ( -2.389 2.349 0.000) 3.350 9.132 ( 5.100 -1.644 0.000) 5.358 9.242 ( 2.337 -0.970 0.000) 2.530 9.298 ( 2.484 2.229 0.000) 3.338 9.370 ( -2.467 -0.244 0.000) 2.479 9.620 ( 1.525 -4.832 0.000) 5.067 9.705 ( -2.354 -3.856 0.000) 4.518 10.030 ( 4.195 -3.446 0.000) 5.428 10.253 ( -4.385 -1.577 0.000) 4.660 10.486 ( 4.994 -18.564 0.000) 19.224 10.506 ( 3.280 2.540 0.000) 4.149 10.561 ( 2.915 -12.440 0.000) 12.777 10.671 ( 1.192 0.673 0.000) 1.368 10.706 ( -4.575 0.756 0.000) 4.637 10.759 ( -0.612 -0.921 0.000) 1.106 10.795 ( -0.127 -0.117 0.000) 0.173 10.821 ( -0.813 -0.604 0.000) 1.013 10.865 ( -0.514 0.385 0.000) 0.642 10.906 ( -2.163 0.743 0.000) 2.287 11.073 ( 5.036 -1.078 0.000) 5.150 11.225 ( -2.212 -0.878 0.000) 2.379 11.398 ( 5.017 12.431 0.000) 13.405 11.743 ( -11.289 1.850 0.000) 11.439 12.631 ( 4.771 0.655 0.000) 4.816 12.868 ( -5.790 -2.934 0.000) 6.491 13.020 ( 0.138 -0.818 0.000) 0.830 13.041 ( 0.101 -1.693 0.000) 1.696 13.720 ( 1.248 6.149 0.000) 6.275 13.817 ( -1.750 2.509 0.000) 3.059 13.916 ( -0.161 3.082 0.000) 3.086 13.927 ( -0.426 1.915 0.000) 1.962 14.004 ( 7.671 -7.607 0.000) 10.803 14.194 ( -3.048 -2.260 0.000) 3.794 14.282 ( 0.914 -2.132 0.000) 2.320 14.306 ( -0.748 -0.337 0.000) 0.820 14.446 ( 0.323 -2.611 0.000) 2.631 14.483 ( -1.389 -1.359 0.000) 1.943 14.579 ( 1.818 0.021 0.000) 1.818 14.664 ( -1.902 -1.299 0.000) 2.303 15.229 ( 0.959 -0.020 0.000) 0.960 15.274 ( -0.947 -0.675 0.000) 1.162 15.608 ( 1.287 0.408 0.000) 1.350 15.664 ( -1.419 -0.525 0.000) 1.513 15.722 ( 0.329 -2.615 0.000) 2.635 15.737 ( 0.121 -2.108 0.000) 2.111 15.821 ( 0.631 1.990 0.000) 2.088 15.839 ( -0.258 2.713 0.000) 2.726 16.476 ( 0.473 0.159 0.000) 0.499 16.528 ( -1.791 -0.551 0.000) 1.874 16.623 ( 0.068 -0.509 0.000) 0.514 16.626 ( -0.016 -0.539 0.000) 0.540 16.643 ( 0.116 -2.105 0.000) 2.108 16.654 ( -0.920 -0.276 0.000) 0.961 16.784 ( 1.835 2.602 0.000) 3.184 16.821 ( 2.264 -1.317 0.000) 2.619 17.832 ( 3.338 2.105 0.000) 3.946 17.916 ( 2.093 1.035 0.000) 2.335 18.011 ( -2.975 3.019 0.000) 4.238 18.081 ( -6.826 5.188 0.000) 8.574 18.364 ( 0.357 2.047 0.000) 2.078 18.395 ( -0.837 1.542 0.000) 1.754 18.582 ( 6.492 -3.071 0.000) 7.182 18.682 ( -0.819 0.255 0.000) 0.858 19.646 ( 1.890 2.906 0.000) 3.467 19.742 ( -2.116 2.068 0.000) 2.958 20.260 ( 0.892 -3.007 0.000) 3.136 20.378 ( -7.466 1.012 0.000) 7.535 21.026 ( 0.003 5.282 0.000) 5.282 21.030 ( -0.231 5.431 0.000) 5.436 22.024 ( 5.459 -10.658 0.000) 11.974 22.098 ( -0.376 -7.170 0.000) 7.180 27.909 ( 1.284 2.007 0.000) 2.382 28.005 ( -3.930 2.514 0.000) 4.666 28.039 ( 0.501 0.402 0.000) 0.642 28.062 ( -0.425 -0.056 0.000) 0.429 28.145 ( 0.504 0.260 0.000) 0.567 28.176 ( -0.822 0.158 0.000) 0.837 28.483 ( 1.726 0.165 0.000) 1.734 28.566 ( -1.287 -1.096 0.000) 1.690 28.682 ( 0.547 -0.932 0.000) 1.081 28.704 ( -0.218 -1.306 0.000) 1.324 29.077 ( 1.876 -8.577 0.000) 8.780 29.148 ( 1.922 -14.798 0.000) 14.922 29.256 ( 1.025 1.852 0.000) 2.116 29.360 ( -1.837 3.492 0.000) 3.946 29.532 ( 6.443 -4.599 0.000) 7.916 29.743 ( -3.282 -6.804 0.000) 7.554 29.829 ( 1.554 -6.098 0.000) 6.292 29.918 ( -1.845 2.269 0.000) 2.925 30.019 ( -3.575 3.647 0.000) 5.107 30.198 ( -6.640 1.222 0.000) 6.752 30.238 ( 0.377 3.847 0.000) 3.865 30.342 ( -8.379 6.766 0.000) 10.770 30.394 ( -1.140 9.570 0.000) 9.637 30.440 ( -2.153 7.201 0.000) 7.516 31.570 ( 8.678 -0.650 0.000) 8.703 31.685 ( 9.484 -0.008 0.000) 9.484 31.806 ( -5.117 3.209 0.000) 6.040 31.905 ( 5.382 1.514 0.000) 5.591 31.980 ( -1.541 6.531 0.000) 6.711 32.351 ( -8.568 0.870 0.000) 8.612 32.557 ( 7.048 -9.963 0.000) 12.204 32.648 ( 0.711 -7.342 0.000) 7.376 ======================= Grid point 7 (6/45) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( -1.201 11.226 0.000) 11.290 1.310 ( 1.201 11.226 0.000) 11.290 1.427 ( -0.039 18.975 0.000) 18.975 1.427 ( 0.039 18.975 0.000) 18.975 2.019 ( -4.264 5.867 0.000) 7.253 2.019 ( 4.264 5.867 0.000) 7.253 2.150 ( -8.558 3.311 0.000) 9.176 2.150 ( 8.558 3.311 0.000) 9.176 2.243 ( -4.707 3.215 0.000) 5.700 2.243 ( 4.707 3.215 0.000) 5.700 2.286 ( -3.833 6.237 0.000) 7.320 2.286 ( 3.833 6.237 0.000) 7.320 2.373 ( -8.700 10.161 0.000) 13.376 2.373 ( 8.700 10.161 0.000) 13.376 2.565 ( -0.930 3.919 0.000) 4.028 2.565 ( 0.930 3.919 0.000) 4.028 2.644 ( -8.990 -4.499 0.000) 10.053 2.644 ( 8.990 -4.499 0.000) 10.053 2.788 ( -5.087 -3.581 0.000) 6.222 2.788 ( 5.087 -3.581 0.000) 6.222 2.940 ( -5.060 -0.018 0.000) 5.060 2.940 ( 5.060 -0.018 0.000) 5.060 3.052 ( -3.083 2.729 0.000) 4.117 3.052 ( 3.083 2.729 0.000) 4.117 3.141 ( -0.351 1.774 0.000) 1.809 3.141 ( 0.351 1.774 0.000) 1.809 3.239 ( -1.392 0.857 0.000) 1.635 3.239 ( 1.392 0.857 0.000) 1.635 3.401 ( -1.196 -4.890 0.000) 5.034 3.401 ( 1.196 -4.890 0.000) 5.034 3.519 ( -1.336 -1.699 0.000) 2.161 3.519 ( 1.336 -1.699 0.000) 2.161 3.665 ( -0.300 -4.480 0.000) 4.490 3.665 ( 0.300 -4.480 0.000) 4.490 3.941 ( -0.448 11.316 0.000) 11.325 3.941 ( 0.448 11.316 0.000) 11.325 4.067 ( -0.800 1.068 0.000) 1.334 4.067 ( 0.800 1.068 0.000) 1.334 4.274 ( -4.553 2.210 0.000) 5.061 4.274 ( 4.553 2.210 0.000) 5.061 4.293 ( -0.546 -4.602 0.000) 4.634 4.293 ( 0.546 -4.602 0.000) 4.634 4.468 ( -3.160 -3.427 0.000) 4.661 4.468 ( 3.160 -3.427 0.000) 4.661 4.546 ( -3.948 -2.508 0.000) 4.677 4.546 ( 3.948 -2.508 0.000) 4.677 4.624 ( -0.188 1.281 0.000) 1.295 4.624 ( 0.188 1.281 0.000) 1.295 4.714 ( -1.145 2.815 0.000) 3.039 4.714 ( 1.145 2.815 0.000) 3.039 4.860 ( -1.369 0.825 0.000) 1.599 4.860 ( 1.369 0.825 0.000) 1.599 4.990 ( -5.909 -0.665 0.000) 5.947 4.990 ( 5.909 -0.665 0.000) 5.947 5.088 ( -2.165 0.554 0.000) 2.234 5.088 ( 2.165 0.554 0.000) 2.234 5.314 ( -2.190 4.925 0.000) 5.390 5.314 ( 2.190 4.925 0.000) 5.390 5.409 ( -3.036 1.944 0.000) 3.605 5.409 ( 3.036 1.944 0.000) 3.605 5.519 ( -1.004 -2.709 0.000) 2.889 5.519 ( 1.004 -2.709 0.000) 2.889 5.732 ( -4.318 3.745 0.000) 5.716 5.732 ( 4.318 3.745 0.000) 5.716 5.820 ( -1.165 -3.301 0.000) 3.501 5.820 ( 1.165 -3.301 0.000) 3.501 6.032 ( -0.358 2.424 0.000) 2.450 6.032 ( 0.358 2.424 0.000) 2.450 6.162 ( -5.237 0.027 0.000) 5.237 6.162 ( 5.237 0.027 0.000) 5.237 6.334 ( -0.260 5.000 0.000) 5.007 6.334 ( 0.260 5.000 0.000) 5.007 6.718 ( -0.543 -5.473 0.000) 5.499 6.718 ( 0.543 -5.473 0.000) 5.499 6.816 ( -3.324 -4.942 0.000) 5.956 6.816 ( 3.324 -4.942 0.000) 5.956 6.963 ( -1.951 -5.550 0.000) 5.883 6.963 ( 1.951 -5.550 0.000) 5.883 7.281 ( -1.597 4.316 0.000) 4.602 7.281 ( 1.597 4.316 0.000) 4.602 7.416 ( -0.486 4.088 0.000) 4.117 7.416 ( 0.486 4.088 0.000) 4.117 7.542 ( -1.593 5.423 0.000) 5.652 7.542 ( 1.593 5.423 0.000) 5.652 7.945 ( -9.734 0.706 0.000) 9.760 7.945 ( 9.734 0.706 0.000) 9.760 8.391 ( -4.303 -2.788 0.000) 5.127 8.391 ( 4.303 -2.788 0.000) 5.127 8.793 ( -0.559 2.655 0.000) 2.713 8.793 ( 0.559 2.655 0.000) 2.713 9.232 ( -3.507 -3.014 0.000) 4.624 9.232 ( 3.507 -3.014 0.000) 4.624 9.333 ( -0.091 2.306 0.000) 2.308 9.333 ( 0.091 2.306 0.000) 2.308 9.659 ( -0.724 -4.428 0.000) 4.487 9.659 ( 0.724 -4.428 0.000) 4.487 10.139 ( -6.727 -2.060 0.000) 7.035 10.139 ( 6.727 -2.060 0.000) 7.035 10.567 ( -0.671 -14.210 0.000) 14.226 10.567 ( 0.671 -14.210 0.000) 14.226 10.596 ( -5.514 -0.339 0.000) 5.525 10.596 ( 5.514 -0.339 0.000) 5.525 10.720 ( -3.002 -2.554 0.000) 3.942 10.720 ( 3.002 -2.554 0.000) 3.942 10.805 ( -0.097 -0.435 0.000) 0.445 10.805 ( 0.097 -0.435 0.000) 0.445 10.873 ( -0.255 -0.349 0.000) 0.433 10.873 ( 0.255 -0.349 0.000) 0.433 11.163 ( -4.168 -0.981 0.000) 4.282 11.163 ( 4.168 -0.981 0.000) 4.282 11.539 ( -2.601 10.882 0.000) 11.188 11.539 ( 2.601 10.882 0.000) 11.188 12.746 ( -3.876 -1.010 0.000) 4.006 12.746 ( 3.876 -1.010 0.000) 4.006 13.030 ( -0.080 -1.522 0.000) 1.524 13.030 ( 0.080 -1.522 0.000) 1.524 13.767 ( -0.991 4.703 0.000) 4.806 13.767 ( 0.991 4.703 0.000) 4.806 13.916 ( -0.027 2.482 0.000) 2.482 13.916 ( 0.027 2.482 0.000) 2.482 14.120 ( -1.593 -5.841 0.000) 6.055 14.120 ( 1.593 -5.841 0.000) 6.055 14.294 ( -0.021 -1.125 0.000) 1.125 14.294 ( 0.021 -1.125 0.000) 1.125 14.460 ( -0.482 -2.106 0.000) 2.161 14.460 ( 0.482 -2.106 0.000) 2.161 14.621 ( -2.165 -0.778 0.000) 2.301 14.621 ( 2.165 -0.778 0.000) 2.301 15.252 ( -0.229 -0.258 0.000) 0.345 15.252 ( 0.229 -0.258 0.000) 0.345 15.636 ( -0.260 -0.187 0.000) 0.320 15.636 ( 0.260 -0.187 0.000) 0.320 15.731 ( -0.193 -2.222 0.000) 2.231 15.731 ( 0.193 -2.222 0.000) 2.231 15.832 ( -0.101 2.309 0.000) 2.311 15.832 ( 0.101 2.309 0.000) 2.311 16.494 ( -1.457 -0.119 0.000) 1.462 16.494 ( 1.457 -0.119 0.000) 1.462 16.625 ( -0.005 -0.750 0.000) 0.750 16.625 ( 0.005 -0.750 0.000) 0.750 16.646 ( -0.024 -1.333 0.000) 1.333 16.646 ( 0.024 -1.333 0.000) 1.333 16.820 ( -0.685 1.828 0.000) 1.952 16.820 ( 0.685 1.828 0.000) 1.952 17.910 ( -2.312 2.049 0.000) 3.089 17.910 ( 2.312 2.049 0.000) 3.089 17.995 ( -0.916 2.799 0.000) 2.945 17.995 ( 0.916 2.799 0.000) 2.945 18.377 ( -0.111 1.783 0.000) 1.786 18.377 ( 0.111 1.783 0.000) 1.786 18.655 ( -0.489 -0.661 0.000) 0.822 18.655 ( 0.489 -0.661 0.000) 0.822 19.693 ( -2.276 2.530 0.000) 3.403 19.693 ( 2.276 2.530 0.000) 3.403 20.290 ( -1.659 -1.374 0.000) 2.154 20.290 ( 1.659 -1.374 0.000) 2.154 21.027 ( -0.000 5.279 0.000) 5.279 21.027 ( 0.000 5.279 0.000) 5.279 22.082 ( -0.175 -8.632 0.000) 8.634 22.082 ( 0.175 -8.632 0.000) 8.634 27.945 ( -1.734 2.376 0.000) 2.942 27.945 ( 1.734 2.376 0.000) 2.942 28.051 ( -0.081 0.056 0.000) 0.098 28.051 ( 0.081 0.056 0.000) 0.098 28.158 ( -0.150 0.345 0.000) 0.376 28.158 ( 0.150 0.345 0.000) 0.376 28.528 ( -2.346 -0.449 0.000) 2.389 28.528 ( 2.346 -0.449 0.000) 2.389 28.695 ( -0.374 -1.229 0.000) 1.285 28.695 ( 0.374 -1.229 0.000) 1.285 29.126 ( -2.316 -11.954 0.000) 12.176 29.126 ( 2.316 -11.954 0.000) 12.176 29.309 ( -1.672 3.325 0.000) 3.722 29.309 ( 1.672 3.325 0.000) 3.722 29.653 ( -2.146 -6.248 0.000) 6.606 29.653 ( 2.146 -6.248 0.000) 6.606 29.873 ( -2.133 -2.426 0.000) 3.230 29.873 ( 2.133 -2.426 0.000) 3.230 30.047 ( -6.058 1.748 0.000) 6.305 30.047 ( 6.058 1.748 0.000) 6.305 30.257 ( -0.490 4.266 0.000) 4.294 30.257 ( 0.490 4.266 0.000) 4.294 30.406 ( -0.848 9.200 0.000) 9.239 30.406 ( 0.848 9.200 0.000) 9.239 31.703 ( -3.585 3.010 0.000) 4.681 31.703 ( 3.585 3.010 0.000) 4.681 31.843 ( -6.857 2.847 0.000) 7.425 31.843 ( 6.857 2.847 0.000) 7.425 32.145 ( -9.795 1.542 0.000) 9.916 32.145 ( 9.795 1.542 0.000) 9.916 32.635 ( -0.256 -8.992 0.000) 8.996 32.635 ( 0.256 -8.992 0.000) 8.996 ======================= Grid point 10 (7/45) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( 0.000 28.324 0.000) 28.324 1.221 ( 0.000 24.811 0.000) 24.811 1.513 ( 0.000 4.331 0.000) 4.331 1.748 ( 0.000 3.971 0.000) 3.971 1.917 ( 0.000 -7.630 0.000) 7.630 1.989 ( 0.000 8.250 0.000) 8.250 2.059 ( 0.000 22.839 0.000) 22.839 2.161 ( 0.000 -2.088 0.000) 2.088 2.230 ( 0.000 -1.382 0.000) 1.382 2.256 ( 0.000 4.736 0.000) 4.736 2.343 ( 0.000 -5.622 0.000) 5.622 2.378 ( 0.000 -4.403 0.000) 4.403 2.428 ( 0.000 0.877 0.000) 0.877 2.499 ( 0.000 0.521 0.000) 0.521 2.592 ( 0.000 2.268 0.000) 2.268 2.595 ( 0.000 0.362 0.000) 0.362 2.629 ( 0.000 -0.353 0.000) 0.353 2.739 ( 0.000 -2.067 0.000) 2.067 2.847 ( 0.000 5.969 0.000) 5.969 2.866 ( 0.000 0.103 0.000) 0.103 3.017 ( 0.000 4.081 0.000) 4.081 3.033 ( 0.000 2.211 0.000) 2.211 3.058 ( 0.000 1.937 0.000) 1.937 3.115 ( 0.000 1.653 0.000) 1.653 3.178 ( 0.000 -0.471 0.000) 0.471 3.256 ( 0.000 -10.598 0.000) 10.598 3.285 ( 0.000 -0.288 0.000) 0.288 3.365 ( 0.000 6.726 0.000) 6.726 3.424 ( 0.000 4.084 0.000) 4.084 3.467 ( 0.000 4.711 0.000) 4.711 3.526 ( 0.000 9.535 0.000) 9.535 3.544 ( 0.000 2.438 0.000) 2.438 3.672 ( 0.000 12.121 0.000) 12.121 3.750 ( 0.000 -3.739 0.000) 3.739 3.859 ( 0.000 1.506 0.000) 1.506 3.952 ( 0.000 -6.840 0.000) 6.840 4.108 ( 0.000 -0.036 0.000) 0.036 4.141 ( 0.000 1.811 0.000) 1.811 4.164 ( 0.000 -5.652 0.000) 5.652 4.206 ( 0.000 -2.048 0.000) 2.048 4.343 ( 0.000 4.453 0.000) 4.453 4.347 ( 0.000 9.256 0.000) 9.256 4.450 ( 0.000 -7.841 0.000) 7.841 4.478 ( 0.000 13.032 0.000) 13.032 4.577 ( 0.000 2.947 0.000) 2.947 4.577 ( 0.000 -2.427 0.000) 2.427 4.659 ( 0.000 6.840 0.000) 6.840 4.743 ( 0.000 -3.733 0.000) 3.733 4.783 ( 0.000 4.462 0.000) 4.462 4.863 ( 0.000 1.747 0.000) 1.747 4.868 ( 0.000 -1.871 0.000) 1.871 4.921 ( 0.000 6.232 0.000) 6.232 4.959 ( 0.000 3.685 0.000) 3.685 5.078 ( 0.000 3.556 0.000) 3.556 5.160 ( 0.000 -1.194 0.000) 1.194 5.181 ( 0.000 -2.693 0.000) 2.693 5.305 ( 0.000 3.524 0.000) 3.524 5.312 ( 0.000 5.397 0.000) 5.397 5.432 ( 0.000 2.100 0.000) 2.100 5.493 ( 0.000 -2.178 0.000) 2.178 5.498 ( 0.000 7.993 0.000) 7.993 5.559 ( 0.000 -11.040 0.000) 11.040 5.574 ( 0.000 3.014 0.000) 3.014 5.659 ( 0.000 0.239 0.000) 0.239 5.688 ( 0.000 -3.526 0.000) 3.526 5.930 ( 0.000 -0.957 0.000) 0.957 6.025 ( 0.000 -5.068 0.000) 5.068 6.137 ( 0.000 0.030 0.000) 0.030 6.201 ( 0.000 4.002 0.000) 4.002 6.326 ( 0.000 3.174 0.000) 3.174 6.415 ( 0.000 -3.995 0.000) 3.995 6.428 ( 0.000 1.629 0.000) 1.629 6.529 ( 0.000 -6.166 0.000) 6.166 6.686 ( 0.000 -4.817 0.000) 4.817 6.708 ( 0.000 1.917 0.000) 1.917 6.759 ( 0.000 1.420 0.000) 1.420 6.794 ( 0.000 -0.672 0.000) 0.672 6.893 ( 0.000 -1.591 0.000) 1.591 7.324 ( 0.000 6.654 0.000) 6.654 7.340 ( 0.000 6.152 0.000) 6.152 7.478 ( 0.000 5.383 0.000) 5.383 7.544 ( 0.000 6.714 0.000) 6.714 7.650 ( 0.000 3.356 0.000) 3.356 7.671 ( 0.000 0.242 0.000) 0.242 7.836 ( 0.000 1.270 0.000) 1.270 8.040 ( 0.000 -4.023 0.000) 4.023 8.225 ( 0.000 1.857 0.000) 1.857 8.502 ( 0.000 -0.408 0.000) 0.408 8.835 ( 0.000 4.049 0.000) 4.049 8.915 ( 0.000 3.380 0.000) 3.380 9.054 ( 0.000 -1.485 0.000) 1.485 9.186 ( 0.000 -2.996 0.000) 2.996 9.322 ( 0.000 3.152 0.000) 3.152 9.390 ( 0.000 1.143 0.000) 1.143 9.478 ( 0.000 -7.834 0.000) 7.834 9.622 ( 0.000 -7.024 0.000) 7.024 9.852 ( 0.000 -10.198 0.000) 10.198 10.054 ( 0.000 -14.424 0.000) 14.424 10.340 ( 0.000 -0.906 0.000) 0.906 10.410 ( 0.000 -3.690 0.000) 3.690 10.544 ( 0.000 4.402 0.000) 4.402 10.636 ( 0.000 -2.730 0.000) 2.730 10.758 ( 0.000 -0.110 0.000) 0.110 10.790 ( 0.000 1.242 0.000) 1.242 10.813 ( 0.000 0.806 0.000) 0.806 10.841 ( 0.000 -0.185 0.000) 0.185 10.854 ( 0.000 -1.373 0.000) 1.373 10.982 ( 0.000 -1.014 0.000) 1.014 11.049 ( 0.000 4.812 0.000) 4.812 11.215 ( 0.000 -2.405 0.000) 2.405 11.461 ( 0.000 -5.711 0.000) 5.711 11.498 ( 0.000 -19.273 0.000) 19.273 12.631 ( 0.000 4.027 0.000) 4.027 12.936 ( 0.000 -3.092 0.000) 3.092 12.939 ( 0.000 -0.121 0.000) 0.121 12.992 ( 0.000 -2.000 0.000) 2.000 13.789 ( 0.000 2.361 0.000) 2.361 13.821 ( 0.000 3.519 0.000) 3.519 13.954 ( 0.000 3.702 0.000) 3.702 13.999 ( 0.000 3.890 0.000) 3.890 14.021 ( 0.000 5.112 0.000) 5.112 14.141 ( 0.000 -6.089 0.000) 6.089 14.275 ( 0.000 2.031 0.000) 2.031 14.317 ( 0.000 -1.251 0.000) 1.251 14.384 ( 0.000 -2.471 0.000) 2.471 14.456 ( 0.000 -3.262 0.000) 3.262 14.582 ( 0.000 1.414 0.000) 1.414 14.655 ( 0.000 -1.471 0.000) 1.471 15.218 ( 0.000 -0.174 0.000) 0.174 15.260 ( 0.000 -1.489 0.000) 1.489 15.608 ( 0.000 0.537 0.000) 0.537 15.659 ( 0.000 -1.446 0.000) 1.446 15.681 ( 0.000 -1.650 0.000) 1.650 15.694 ( 0.000 -1.077 0.000) 1.077 15.857 ( 0.000 2.146 0.000) 2.146 15.885 ( 0.000 1.749 0.000) 1.749 16.482 ( 0.000 0.721 0.000) 0.721 16.532 ( 0.000 -0.730 0.000) 0.730 16.600 ( 0.000 -1.854 0.000) 1.854 16.621 ( 0.000 -0.492 0.000) 0.492 16.622 ( 0.000 -0.108 0.000) 0.108 16.685 ( 0.000 0.470 0.000) 0.470 16.705 ( 0.000 -2.086 0.000) 2.086 16.808 ( 0.000 1.185 0.000) 1.185 17.849 ( 0.000 2.816 0.000) 2.816 17.914 ( 0.000 1.149 0.000) 1.149 18.105 ( 0.000 3.500 0.000) 3.500 18.231 ( 0.000 -0.029 0.000) 0.029 18.421 ( 0.000 1.149 0.000) 1.149 18.435 ( 0.000 1.591 0.000) 1.591 18.484 ( 0.000 5.196 0.000) 5.196 18.695 ( 0.000 -0.032 0.000) 0.032 19.708 ( 0.000 5.280 0.000) 5.280 19.817 ( 0.000 3.824 0.000) 3.824 20.168 ( 0.000 -5.085 0.000) 5.085 20.371 ( 0.000 -8.595 0.000) 8.595 21.148 ( 0.000 7.388 0.000) 7.388 21.169 ( 0.000 7.972 0.000) 7.972 21.794 ( 0.000 -7.706 0.000) 7.706 21.933 ( 0.000 -10.317 0.000) 10.317 27.936 ( 0.000 1.965 0.000) 1.965 28.037 ( 0.000 -1.379 0.000) 1.379 28.050 ( 0.000 0.593 0.000) 0.593 28.066 ( 0.000 0.029 0.000) 0.029 28.146 ( 0.000 0.479 0.000) 0.479 28.184 ( 0.000 0.071 0.000) 0.071 28.446 ( 0.000 -3.327 0.000) 3.327 28.511 ( 0.000 -5.861 0.000) 5.861 28.673 ( 0.000 0.243 0.000) 0.243 28.674 ( 0.000 -1.323 0.000) 1.323 28.908 ( 0.000 -7.519 0.000) 7.519 28.910 ( 0.000 -6.380 0.000) 6.380 29.270 ( 0.000 1.860 0.000) 1.860 29.429 ( 0.000 -1.817 0.000) 1.817 29.453 ( 0.000 2.395 0.000) 2.395 29.623 ( 0.000 -7.454 0.000) 7.454 29.705 ( 0.000 -2.237 0.000) 2.237 29.963 ( 0.000 0.271 0.000) 0.271 30.162 ( 0.000 4.742 0.000) 4.742 30.333 ( 0.000 5.860 0.000) 5.860 30.344 ( 0.000 2.720 0.000) 2.720 30.495 ( 0.000 1.810 0.000) 1.810 30.567 ( 0.000 1.784 0.000) 1.784 30.574 ( 0.000 5.715 0.000) 5.715 31.404 ( 0.000 -3.204 0.000) 3.204 31.467 ( 0.000 -4.783 0.000) 4.783 31.820 ( 0.000 -3.226 0.000) 3.226 31.913 ( 0.000 2.810 0.000) 2.810 32.141 ( 0.000 6.446 0.000) 6.446 32.460 ( 0.000 2.533 0.000) 2.533 32.479 ( 0.000 2.839 0.000) 2.839 32.515 ( 0.000 -4.861 0.000) 4.861 ======================= Grid point 11 (8/45) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( 12.359 19.888 0.000) 23.416 1.374 ( 15.950 21.813 0.000) 27.022 1.724 ( 8.331 0.893 0.000) 8.379 1.794 ( 3.630 1.321 0.000) 3.863 1.880 ( 4.482 4.357 0.000) 6.251 2.021 ( 2.589 2.263 0.000) 3.438 2.095 ( 1.771 6.664 0.000) 6.895 2.175 ( 1.344 -0.177 0.000) 1.355 2.201 ( 1.118 -0.025 0.000) 1.119 2.299 ( -2.081 0.208 0.000) 2.092 2.328 ( -3.326 -1.749 0.000) 3.758 2.377 ( 8.247 9.488 0.000) 12.571 2.439 ( -0.993 3.396 0.000) 3.539 2.495 ( 1.733 -4.666 0.000) 4.977 2.574 ( -0.928 1.107 0.000) 1.444 2.611 ( 1.556 0.049 0.000) 1.557 2.672 ( 3.322 0.028 0.000) 3.322 2.736 ( 0.104 0.378 0.000) 0.392 2.829 ( -1.797 1.998 0.000) 2.687 2.883 ( 1.339 2.441 0.000) 2.784 2.941 ( -3.248 8.208 0.000) 8.828 3.010 ( -4.392 3.092 0.000) 5.371 3.062 ( -1.476 2.613 0.000) 3.001 3.107 ( 1.646 3.259 0.000) 3.651 3.175 ( 0.203 0.704 0.000) 0.733 3.203 ( 0.253 -5.816 0.000) 5.822 3.272 ( -4.685 6.192 0.000) 7.765 3.364 ( -2.639 2.178 0.000) 3.422 3.387 ( -0.593 -2.032 0.000) 2.117 3.466 ( -2.219 5.584 0.000) 6.009 3.556 ( -2.235 3.073 0.000) 3.800 3.570 ( 5.110 5.212 0.000) 7.299 3.660 ( -8.179 0.558 0.000) 8.198 3.711 ( 2.273 14.168 0.000) 14.350 3.917 ( -0.853 -4.946 0.000) 5.019 4.001 ( 1.566 -2.904 0.000) 3.299 4.069 ( 5.627 1.682 0.000) 5.873 4.139 ( 0.033 -3.832 0.000) 3.832 4.210 ( -1.950 -3.129 0.000) 3.687 4.248 ( -5.715 3.075 0.000) 6.490 4.276 ( 5.450 -0.750 0.000) 5.502 4.303 ( 2.143 6.489 0.000) 6.834 4.400 ( -4.150 0.482 0.000) 4.178 4.493 ( -0.157 0.872 0.000) 0.886 4.541 ( -1.238 3.154 0.000) 3.388 4.576 ( -2.331 2.524 0.000) 3.436 4.617 ( -2.237 2.320 0.000) 3.223 4.673 ( -2.545 -0.347 0.000) 2.568 4.773 ( -4.952 0.101 0.000) 4.953 4.845 ( -6.724 1.083 0.000) 6.811 4.888 ( 1.810 6.191 0.000) 6.450 4.920 ( 1.014 -2.998 0.000) 3.165 4.956 ( 0.667 2.633 0.000) 2.716 5.041 ( 0.286 2.800 0.000) 2.815 5.117 ( -6.488 -1.660 0.000) 6.697 5.187 ( -2.246 1.574 0.000) 2.743 5.283 ( 2.251 1.389 0.000) 2.645 5.340 ( 3.008 3.170 0.000) 4.370 5.444 ( -1.401 -0.075 0.000) 1.403 5.476 ( -0.477 1.616 0.000) 1.685 5.487 ( 1.252 5.057 0.000) 5.210 5.584 ( 0.741 1.873 0.000) 2.015 5.627 ( 2.100 -3.554 0.000) 4.129 5.663 ( 2.706 -6.092 0.000) 6.666 5.752 ( 6.189 2.264 0.000) 6.590 5.944 ( 0.055 2.823 0.000) 2.824 6.009 ( -0.122 -4.623 0.000) 4.624 6.111 ( -3.033 2.034 0.000) 3.652 6.178 ( -1.744 2.738 0.000) 3.247 6.286 ( -4.841 2.504 0.000) 5.450 6.404 ( -0.940 2.014 0.000) 2.223 6.424 ( -0.073 -0.755 0.000) 0.759 6.549 ( 1.927 -6.090 0.000) 6.387 6.662 ( -2.177 -4.438 0.000) 4.943 6.697 ( -1.100 -1.016 0.000) 1.497 6.780 ( 0.100 -0.945 0.000) 0.950 6.794 ( 3.590 -1.554 0.000) 3.912 6.893 ( -1.161 -4.735 0.000) 4.876 7.329 ( 1.552 6.495 0.000) 6.678 7.393 ( 2.776 5.787 0.000) 6.418 7.487 ( 0.038 6.327 0.000) 6.327 7.541 ( -1.246 5.060 0.000) 5.211 7.592 ( 0.340 4.700 0.000) 4.712 7.767 ( -5.253 4.207 0.000) 6.730 7.788 ( 8.088 1.348 0.000) 8.200 8.142 ( -0.125 -1.455 0.000) 1.460 8.151 ( 1.416 -1.831 0.000) 2.314 8.459 ( -4.772 -1.423 0.000) 4.979 8.837 ( 0.494 4.013 0.000) 4.043 8.897 ( -1.849 3.716 0.000) 4.151 9.094 ( 3.807 -2.158 0.000) 4.376 9.195 ( 0.117 -3.931 0.000) 3.933 9.344 ( 1.837 2.277 0.000) 2.925 9.387 ( -0.307 1.624 0.000) 1.652 9.501 ( 2.263 -6.946 0.000) 7.305 9.600 ( -2.031 -6.622 0.000) 6.926 9.911 ( 6.263 -8.774 0.000) 10.780 10.121 ( 6.244 -13.364 0.000) 14.750 10.256 ( -7.786 -3.381 0.000) 8.488 10.374 ( -3.956 -6.608 0.000) 7.701 10.569 ( 2.610 3.826 0.000) 4.631 10.672 ( 3.228 -1.217 0.000) 3.449 10.729 ( -3.876 0.726 0.000) 3.943 10.788 ( -0.379 1.530 0.000) 1.576 10.789 ( -1.400 0.297 0.000) 1.431 10.820 ( -0.850 -0.115 0.000) 0.857 10.859 ( 0.171 -0.353 0.000) 0.392 10.944 ( -6.864 1.251 0.000) 6.978 11.043 ( 4.778 -1.928 0.000) 5.152 11.193 ( -2.310 -2.480 0.000) 3.389 11.493 ( 2.566 -2.798 0.000) 3.796 11.542 ( 2.299 -17.187 0.000) 17.340 12.658 ( 2.710 2.339 0.000) 3.580 12.824 ( -5.945 -1.312 0.000) 6.088 12.980 ( 3.051 -0.507 0.000) 3.093 13.064 ( 2.201 1.405 0.000) 2.611 13.812 ( 2.526 0.251 0.000) 2.538 13.846 ( 1.965 4.211 0.000) 4.647 13.948 ( -0.469 2.586 0.000) 2.628 13.989 ( -2.143 2.562 0.000) 3.340 14.001 ( -0.296 4.419 0.000) 4.429 14.096 ( -3.893 -4.938 0.000) 6.288 14.290 ( 1.036 1.234 0.000) 1.612 14.330 ( 0.304 1.665 0.000) 1.693 14.372 ( -0.020 -4.232 0.000) 4.232 14.438 ( -1.650 -3.076 0.000) 3.490 14.589 ( 0.795 0.784 0.000) 1.117 14.639 ( -1.386 -1.145 0.000) 1.798 15.226 ( 0.733 -0.337 0.000) 0.807 15.255 ( -0.498 -1.237 0.000) 1.333 15.613 ( 0.561 0.093 0.000) 0.569 15.645 ( -1.009 -1.146 0.000) 1.526 15.686 ( 0.667 -1.237 0.000) 1.405 15.705 ( 0.348 -1.257 0.000) 1.304 15.862 ( 0.454 2.044 0.000) 2.094 15.882 ( -0.369 1.769 0.000) 1.808 16.482 ( 0.183 0.508 0.000) 0.540 16.517 ( -1.326 -0.455 0.000) 1.402 16.603 ( 0.320 -1.576 0.000) 1.608 16.615 ( -0.363 -0.627 0.000) 0.724 16.617 ( -0.274 -0.392 0.000) 0.478 16.641 ( -1.519 -0.824 0.000) 1.728 16.791 ( 4.469 -1.144 0.000) 4.613 16.825 ( 1.395 0.967 0.000) 1.698 17.883 ( 3.460 2.949 0.000) 4.546 17.943 ( 2.861 1.521 0.000) 3.240 18.071 ( -3.412 3.089 0.000) 4.603 18.145 ( -6.512 1.923 0.000) 6.790 18.414 ( 0.094 2.745 0.000) 2.747 18.431 ( -0.414 1.973 0.000) 2.016 18.566 ( 5.435 0.945 0.000) 5.517 18.684 ( -1.171 -0.124 0.000) 1.177 19.723 ( 1.540 5.080 0.000) 5.308 19.800 ( -1.675 4.058 0.000) 4.390 20.183 ( 1.596 -4.888 0.000) 5.142 20.315 ( -4.718 -6.221 0.000) 7.808 21.150 ( 0.193 7.504 0.000) 7.507 21.163 ( -0.439 8.008 0.000) 8.020 21.834 ( 3.353 -9.626 0.000) 10.193 21.923 ( -1.052 -10.508 0.000) 10.561 27.947 ( 1.175 1.746 0.000) 2.104 28.019 ( -1.881 -0.487 0.000) 1.942 28.049 ( 0.062 0.542 0.000) 0.545 28.061 ( -0.426 0.012 0.000) 0.426 28.152 ( 0.653 0.556 0.000) 0.858 28.180 ( -0.502 0.274 0.000) 0.572 28.457 ( 1.199 -3.585 0.000) 3.780 28.508 ( -0.519 -5.637 0.000) 5.661 28.665 ( -0.190 -0.545 0.000) 0.577 28.676 ( -0.192 -0.909 0.000) 0.929 28.914 ( 0.467 -7.269 0.000) 7.284 28.917 ( 0.572 -7.563 0.000) 7.584 29.300 ( 2.943 2.123 0.000) 3.629 29.414 ( -1.837 0.704 0.000) 1.967 29.479 ( 3.017 -1.389 0.000) 3.321 29.606 ( -1.766 -5.936 0.000) 6.193 29.747 ( 4.269 -1.704 0.000) 4.597 29.957 ( -1.354 0.761 0.000) 1.553 30.097 ( -5.745 4.837 0.000) 7.510 30.220 ( -8.947 1.042 0.000) 9.008 30.330 ( -0.135 5.579 0.000) 5.581 30.425 ( -6.597 3.051 0.000) 7.268 30.532 ( 0.166 4.715 0.000) 4.718 30.577 ( -0.643 5.777 0.000) 5.813 31.529 ( 10.211 -3.518 0.000) 10.800 31.638 ( 13.074 -5.103 0.000) 14.035 31.797 ( -2.310 -2.038 0.000) 3.081 31.943 ( 1.489 0.496 0.000) 1.570 32.125 ( -0.078 7.992 0.000) 7.992 32.390 ( -7.669 2.898 0.000) 8.198 32.470 ( 0.846 -0.102 0.000) 0.852 32.519 ( -0.710 -5.029 0.000) 5.079 ======================= Grid point 12 (9/45) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( -2.717 11.596 0.000) 11.910 1.532 ( 2.717 11.596 0.000) 11.910 1.726 ( -0.521 11.167 0.000) 11.179 1.726 ( 0.521 11.167 0.000) 11.179 2.068 ( -0.436 -3.019 0.000) 3.050 2.068 ( 0.436 -3.019 0.000) 3.050 2.140 ( -2.147 -0.152 0.000) 2.153 2.140 ( 2.147 -0.152 0.000) 2.153 2.258 ( -0.594 -0.481 0.000) 0.764 2.258 ( 0.594 -0.481 0.000) 0.764 2.337 ( -5.177 -0.344 0.000) 5.189 2.337 ( 5.177 -0.344 0.000) 5.189 2.499 ( -2.905 -1.308 0.000) 3.186 2.499 ( 2.905 -1.308 0.000) 3.186 2.653 ( -0.318 2.000 0.000) 2.025 2.653 ( 0.318 2.000 0.000) 2.025 2.719 ( -1.238 3.833 0.000) 4.028 2.719 ( 1.238 3.833 0.000) 4.028 2.866 ( -3.563 13.604 0.000) 14.063 2.866 ( 3.563 13.604 0.000) 14.063 2.937 ( -2.418 2.561 0.000) 3.522 2.937 ( 2.418 2.561 0.000) 3.522 3.095 ( -5.379 -0.284 0.000) 5.387 3.095 ( 5.379 -0.284 0.000) 5.387 3.197 ( -3.075 4.741 0.000) 5.650 3.197 ( 3.075 4.741 0.000) 5.650 3.300 ( -1.183 -4.539 0.000) 4.691 3.300 ( 1.183 -4.539 0.000) 4.691 3.318 ( -1.520 7.332 0.000) 7.488 3.318 ( 1.520 7.332 0.000) 7.488 3.538 ( -1.463 2.995 0.000) 3.333 3.538 ( 1.463 2.995 0.000) 3.333 3.668 ( -1.151 8.135 0.000) 8.216 3.668 ( 1.151 8.135 0.000) 8.216 4.010 ( -4.884 -3.165 0.000) 5.820 4.010 ( 4.884 -3.165 0.000) 5.820 4.060 ( -2.004 -0.251 0.000) 2.019 4.060 ( 2.004 -0.251 0.000) 2.019 4.238 ( -0.918 -3.445 0.000) 3.565 4.238 ( 0.918 -3.445 0.000) 3.565 4.345 ( -3.619 2.636 0.000) 4.477 4.345 ( 3.619 2.636 0.000) 4.477 4.431 ( -6.865 2.319 0.000) 7.246 4.431 ( 6.865 2.319 0.000) 7.246 4.536 ( -2.483 0.859 0.000) 2.628 4.536 ( 2.483 0.859 0.000) 2.628 4.617 ( -1.569 -1.083 0.000) 1.906 4.617 ( 1.569 -1.083 0.000) 1.906 4.724 ( -1.322 -0.941 0.000) 1.622 4.724 ( 1.322 -0.941 0.000) 1.622 4.928 ( -0.799 3.863 0.000) 3.944 4.928 ( 0.799 3.863 0.000) 3.944 4.973 ( -5.321 1.435 0.000) 5.511 4.973 ( 5.321 1.435 0.000) 5.511 5.116 ( -4.347 1.237 0.000) 4.520 5.116 ( 4.347 1.237 0.000) 4.520 5.349 ( -0.748 -1.651 0.000) 1.813 5.349 ( 0.748 -1.651 0.000) 1.813 5.443 ( -0.291 4.321 0.000) 4.331 5.443 ( 0.291 4.321 0.000) 4.331 5.548 ( -2.870 1.732 0.000) 3.352 5.548 ( 2.870 1.732 0.000) 3.352 5.679 ( -0.153 -3.908 0.000) 3.911 5.679 ( 0.153 -3.908 0.000) 3.911 5.889 ( -5.506 5.077 0.000) 7.490 5.889 ( 5.506 5.077 0.000) 7.490 6.044 ( -0.428 -0.345 0.000) 0.550 6.044 ( 0.428 -0.345 0.000) 0.550 6.182 ( -0.703 2.009 0.000) 2.129 6.182 ( 0.703 2.009 0.000) 2.129 6.408 ( -0.069 2.553 0.000) 2.554 6.408 ( 0.069 2.553 0.000) 2.554 6.602 ( -0.603 -6.173 0.000) 6.203 6.602 ( 0.603 -6.173 0.000) 6.203 6.737 ( -1.597 -2.293 0.000) 2.794 6.737 ( 1.597 -2.293 0.000) 2.794 6.860 ( -0.250 -4.852 0.000) 4.858 6.860 ( 0.250 -4.852 0.000) 4.858 7.382 ( -1.241 6.190 0.000) 6.313 7.382 ( 1.241 6.190 0.000) 6.313 7.500 ( -0.166 4.518 0.000) 4.521 7.500 ( 0.166 4.518 0.000) 4.521 7.665 ( -1.488 6.769 0.000) 6.930 7.665 ( 1.488 6.769 0.000) 6.930 7.967 ( -10.310 1.907 0.000) 10.485 7.967 ( 10.310 1.907 0.000) 10.485 8.325 ( -7.756 -3.985 0.000) 8.720 8.325 ( 7.756 -3.985 0.000) 8.720 8.859 ( -0.320 4.026 0.000) 4.039 8.859 ( 0.320 4.026 0.000) 4.039 9.167 ( -1.290 -3.715 0.000) 3.932 9.167 ( 1.290 -3.715 0.000) 3.932 9.375 ( -0.056 1.583 0.000) 1.584 9.375 ( 0.056 1.583 0.000) 1.584 9.552 ( -0.568 -6.205 0.000) 6.231 9.552 ( 0.568 -6.205 0.000) 6.231 10.073 ( -8.354 -4.997 0.000) 9.734 10.073 ( 8.354 -4.997 0.000) 9.734 10.264 ( -4.519 -12.324 0.000) 13.127 10.264 ( 4.519 -12.324 0.000) 13.127 10.640 ( -4.189 2.480 0.000) 4.868 10.640 ( 4.189 2.480 0.000) 4.868 10.743 ( -1.405 1.480 0.000) 2.041 10.743 ( 1.405 1.480 0.000) 2.041 10.793 ( -0.095 -0.761 0.000) 0.767 10.793 ( 0.095 -0.761 0.000) 0.767 10.872 ( -0.253 -0.181 0.000) 0.311 10.872 ( 0.253 -0.181 0.000) 0.311 11.131 ( -4.072 -2.427 0.000) 4.740 11.131 ( 4.072 -2.427 0.000) 4.740 11.542 ( -0.155 -8.496 0.000) 8.497 11.542 ( 0.155 -8.496 0.000) 8.497 12.727 ( -1.632 -0.328 0.000) 1.665 12.727 ( 1.632 -0.328 0.000) 1.665 13.047 ( -0.781 2.790 0.000) 2.897 13.047 ( 0.781 2.790 0.000) 2.897 13.860 ( -0.231 3.639 0.000) 3.647 13.860 ( 0.231 3.639 0.000) 3.647 13.950 ( -0.377 -0.842 0.000) 0.922 13.950 ( 0.377 -0.842 0.000) 0.922 14.024 ( -1.037 0.068 0.000) 1.039 14.024 ( 1.037 0.068 0.000) 1.039 14.312 ( -0.116 1.507 0.000) 1.512 14.312 ( 0.116 1.507 0.000) 1.512 14.401 ( -0.606 -3.446 0.000) 3.499 14.401 ( 0.606 -3.446 0.000) 3.499 14.611 ( -1.071 -0.309 0.000) 1.114 14.611 ( 1.071 -0.309 0.000) 1.114 15.242 ( -0.075 -0.732 0.000) 0.736 15.242 ( 0.075 -0.732 0.000) 0.736 15.627 ( -0.050 -0.673 0.000) 0.675 15.627 ( 0.050 -0.673 0.000) 0.675 15.700 ( -0.122 -1.036 0.000) 1.043 15.700 ( 0.122 -1.036 0.000) 1.043 15.872 ( -0.085 1.862 0.000) 1.864 15.872 ( 0.085 1.862 0.000) 1.864 16.493 ( -0.914 0.056 0.000) 0.916 16.493 ( 0.914 0.056 0.000) 0.916 16.609 ( -0.016 -0.833 0.000) 0.833 16.609 ( 0.016 -0.833 0.000) 0.833 16.621 ( -0.241 -1.087 0.000) 1.114 16.621 ( 0.241 -1.087 0.000) 1.114 16.839 ( -0.065 0.082 0.000) 0.105 16.839 ( 0.065 0.082 0.000) 0.105 17.965 ( -1.432 3.353 0.000) 3.646 17.965 ( 1.432 3.353 0.000) 3.646 18.039 ( -0.948 1.619 0.000) 1.876 18.039 ( 0.948 1.619 0.000) 1.876 18.421 ( -0.022 2.578 0.000) 2.578 18.421 ( 0.022 2.578 0.000) 2.578 18.646 ( -0.761 -0.224 0.000) 0.793 18.646 ( 0.761 -0.224 0.000) 0.793 19.761 ( -0.967 4.589 0.000) 4.690 19.761 ( 0.967 4.589 0.000) 4.690 20.232 ( -1.258 -4.709 0.000) 4.874 20.232 ( 1.258 -4.709 0.000) 4.874 21.156 ( -0.003 7.785 0.000) 7.785 21.156 ( 0.003 7.785 0.000) 7.785 21.891 ( -0.262 -10.730 0.000) 10.733 21.891 ( 0.262 -10.730 0.000) 10.733 27.979 ( -0.793 0.995 0.000) 1.272 27.979 ( 0.793 0.995 0.000) 1.272 28.053 ( -0.016 0.140 0.000) 0.141 28.053 ( 0.016 0.140 0.000) 0.141 28.167 ( -0.068 0.543 0.000) 0.547 28.167 ( 0.068 0.543 0.000) 0.547 28.486 ( -1.235 -4.595 0.000) 4.758 28.486 ( 1.235 -4.595 0.000) 4.758 28.669 ( -0.114 -0.946 0.000) 0.952 28.669 ( 0.114 -0.946 0.000) 0.952 28.921 ( -0.023 -7.704 0.000) 7.704 28.921 ( 0.023 -7.704 0.000) 7.704 29.364 ( -0.884 1.624 0.000) 1.849 29.364 ( 0.884 1.624 0.000) 1.849 29.551 ( -0.754 -3.854 0.000) 3.927 29.551 ( 0.754 -3.854 0.000) 3.927 29.860 ( -6.295 0.783 0.000) 6.344 29.860 ( 6.295 0.783 0.000) 6.344 30.081 ( -4.419 1.690 0.000) 4.732 30.081 ( 4.419 1.690 0.000) 4.732 30.344 ( -0.315 4.810 0.000) 4.820 30.344 ( 0.315 4.810 0.000) 4.820 30.553 ( -0.415 5.439 0.000) 5.455 30.553 ( 0.415 5.439 0.000) 5.455 31.697 ( -6.074 -3.020 0.000) 6.784 31.697 ( 6.074 -3.020 0.000) 6.784 31.874 ( -8.517 -1.151 0.000) 8.595 31.874 ( 8.517 -1.151 0.000) 8.595 32.219 ( -6.563 5.931 0.000) 8.846 32.219 ( 6.563 5.931 0.000) 8.846 32.494 ( -0.157 -4.417 0.000) 4.420 32.494 ( 0.157 -4.417 0.000) 4.420 ======================= Grid point 15 (10/45) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( 0.000 5.614 0.000) 5.614 1.568 ( 0.000 15.717 0.000) 15.717 1.706 ( 0.000 7.915 0.000) 7.915 1.722 ( 0.000 -9.824 0.000) 9.824 1.757 ( 0.000 4.252 0.000) 4.252 2.058 ( 0.000 -7.380 0.000) 7.380 2.110 ( 0.000 2.774 0.000) 2.774 2.207 ( 0.000 -0.408 0.000) 0.408 2.215 ( 0.000 4.666 0.000) 4.666 2.241 ( 0.000 -2.857 0.000) 2.857 2.353 ( 0.000 1.478 0.000) 1.478 2.421 ( 0.000 0.115 0.000) 0.115 2.445 ( 0.000 5.019 0.000) 5.019 2.530 ( 0.000 -2.061 0.000) 2.061 2.576 ( 0.000 5.605 0.000) 5.605 2.626 ( 0.000 3.258 0.000) 3.258 2.680 ( 0.000 -1.039 0.000) 1.039 2.748 ( 0.000 3.153 0.000) 3.153 2.886 ( 0.000 2.501 0.000) 2.501 2.901 ( 0.000 -8.879 0.000) 8.879 2.926 ( 0.000 3.526 0.000) 3.526 3.056 ( 0.000 -6.351 0.000) 6.351 3.091 ( 0.000 -0.543 0.000) 0.543 3.096 ( 0.000 -0.092 0.000) 0.092 3.148 ( 0.000 -1.839 0.000) 1.839 3.185 ( 0.000 -0.521 0.000) 0.521 3.295 ( 0.000 0.202 0.000) 0.202 3.362 ( 0.000 -2.488 0.000) 2.488 3.392 ( 0.000 -3.809 0.000) 3.809 3.582 ( 0.000 -5.986 0.000) 5.986 3.598 ( 0.000 3.937 0.000) 3.937 3.677 ( 0.000 1.018 0.000) 1.018 3.802 ( 0.000 8.996 0.000) 8.996 3.815 ( 0.000 2.414 0.000) 2.414 3.877 ( 0.000 6.198 0.000) 6.198 3.885 ( 0.000 1.925 0.000) 1.925 4.156 ( 0.000 -1.159 0.000) 1.159 4.163 ( 0.000 7.592 0.000) 7.592 4.223 ( 0.000 4.126 0.000) 4.126 4.266 ( 0.000 8.893 0.000) 8.893 4.307 ( 0.000 -5.379 0.000) 5.379 4.469 ( 0.000 -0.926 0.000) 0.926 4.485 ( 0.000 10.619 0.000) 10.619 4.530 ( 0.000 2.993 0.000) 2.993 4.634 ( 0.000 -2.840 0.000) 2.840 4.634 ( 0.000 2.326 0.000) 2.326 4.730 ( 0.000 6.783 0.000) 6.783 4.771 ( 0.000 0.842 0.000) 0.842 4.805 ( 0.000 6.570 0.000) 6.570 4.920 ( 0.000 0.029 0.000) 0.029 4.936 ( 0.000 4.001 0.000) 4.001 4.991 ( 0.000 1.985 0.000) 1.985 5.023 ( 0.000 3.859 0.000) 3.859 5.095 ( 0.000 -3.030 0.000) 3.030 5.123 ( 0.000 1.229 0.000) 1.229 5.141 ( 0.000 -2.252 0.000) 2.252 5.334 ( 0.000 -8.604 0.000) 8.604 5.353 ( 0.000 -3.467 0.000) 3.467 5.418 ( 0.000 0.128 0.000) 0.128 5.428 ( 0.000 5.801 0.000) 5.801 5.481 ( 0.000 1.799 0.000) 1.799 5.602 ( 0.000 1.230 0.000) 1.230 5.634 ( 0.000 3.063 0.000) 3.063 5.698 ( 0.000 0.415 0.000) 0.415 5.703 ( 0.000 4.087 0.000) 4.087 5.800 ( 0.000 -5.368 0.000) 5.368 5.984 ( 0.000 -2.785 0.000) 2.785 6.056 ( 0.000 -6.391 0.000) 6.391 6.297 ( 0.000 3.534 0.000) 3.534 6.360 ( 0.000 -1.904 0.000) 1.904 6.397 ( 0.000 3.758 0.000) 3.758 6.457 ( 0.000 -1.308 0.000) 1.308 6.469 ( 0.000 2.900 0.000) 2.900 6.591 ( 0.000 -4.056 0.000) 4.056 6.741 ( 0.000 1.600 0.000) 1.600 6.774 ( 0.000 -1.293 0.000) 1.293 6.801 ( 0.000 1.940 0.000) 1.940 6.833 ( 0.000 -3.129 0.000) 3.129 7.472 ( 0.000 6.614 0.000) 6.614 7.487 ( 0.000 8.437 0.000) 8.437 7.611 ( 0.000 7.966 0.000) 7.966 7.642 ( 0.000 3.350 0.000) 3.350 7.687 ( 0.000 1.510 0.000) 1.510 7.714 ( 0.000 3.154 0.000) 3.154 7.856 ( 0.000 0.793 0.000) 0.793 7.963 ( 0.000 -4.252 0.000) 4.252 8.286 ( 0.000 4.584 0.000) 4.584 8.466 ( 0.000 -3.274 0.000) 3.274 8.908 ( 0.000 3.575 0.000) 3.575 8.979 ( 0.000 2.495 0.000) 2.495 9.026 ( 0.000 -1.041 0.000) 1.041 9.107 ( 0.000 -4.529 0.000) 4.529 9.345 ( 0.000 -4.796 0.000) 4.796 9.371 ( 0.000 1.349 0.000) 1.349 9.418 ( 0.000 0.195 0.000) 0.195 9.487 ( 0.000 -6.506 0.000) 6.506 9.655 ( 0.000 -7.600 0.000) 7.600 9.819 ( 0.000 -10.387 0.000) 10.387 10.330 ( 0.000 -0.270 0.000) 0.270 10.354 ( 0.000 -2.133 0.000) 2.133 10.585 ( 0.000 -0.940 0.000) 0.940 10.636 ( 0.000 5.075 0.000) 5.075 10.758 ( 0.000 0.159 0.000) 0.159 10.787 ( 0.000 -1.098 0.000) 1.098 10.814 ( 0.000 -3.138 0.000) 3.138 10.828 ( 0.000 0.473 0.000) 0.473 10.837 ( 0.000 -0.394 0.000) 0.394 11.001 ( 0.000 3.239 0.000) 3.239 11.015 ( 0.000 -22.288 0.000) 22.288 11.124 ( 0.000 3.853 0.000) 3.853 11.163 ( 0.000 -4.098 0.000) 4.098 11.372 ( 0.000 -8.160 0.000) 8.160 12.728 ( 0.000 5.721 0.000) 5.721 12.901 ( 0.000 -1.816 0.000) 1.816 12.945 ( 0.000 0.377 0.000) 0.377 12.950 ( 0.000 -1.613 0.000) 1.613 13.845 ( 0.000 3.367 0.000) 3.367 13.896 ( 0.000 3.779 0.000) 3.779 14.005 ( 0.000 1.344 0.000) 1.344 14.021 ( 0.000 -3.234 0.000) 3.234 14.108 ( 0.000 3.943 0.000) 3.943 14.108 ( 0.000 4.196 0.000) 4.196 14.258 ( 0.000 -3.676 0.000) 3.676 14.286 ( 0.000 -1.550 0.000) 1.550 14.374 ( 0.000 0.354 0.000) 0.354 14.398 ( 0.000 -2.078 0.000) 2.078 14.604 ( 0.000 0.956 0.000) 0.956 14.633 ( 0.000 -0.861 0.000) 0.861 15.214 ( 0.000 -0.135 0.000) 0.135 15.233 ( 0.000 -1.213 0.000) 1.213 15.614 ( 0.000 0.220 0.000) 0.220 15.634 ( 0.000 -1.089 0.000) 1.089 15.663 ( 0.000 -0.250 0.000) 0.250 15.678 ( 0.000 -0.703 0.000) 0.703 15.891 ( 0.000 1.431 0.000) 1.431 15.908 ( 0.000 0.635 0.000) 0.635 16.498 ( 0.000 0.948 0.000) 0.948 16.523 ( 0.000 -0.298 0.000) 0.298 16.574 ( 0.000 -0.775 0.000) 0.775 16.600 ( 0.000 -1.487 0.000) 1.487 16.625 ( 0.000 0.495 0.000) 0.495 16.668 ( 0.000 -1.725 0.000) 1.725 16.714 ( 0.000 2.460 0.000) 2.460 16.808 ( 0.000 -1.233 0.000) 1.233 17.898 ( 0.000 2.098 0.000) 2.098 17.930 ( 0.000 0.357 0.000) 0.357 18.166 ( 0.000 2.829 0.000) 2.829 18.228 ( 0.000 -0.462 0.000) 0.462 18.444 ( 0.000 1.208 0.000) 1.208 18.458 ( 0.000 0.749 0.000) 0.749 18.576 ( 0.000 4.350 0.000) 4.350 18.683 ( 0.000 -1.259 0.000) 1.259 19.821 ( 0.000 6.394 0.000) 6.394 19.910 ( 0.000 5.938 0.000) 5.938 20.063 ( 0.000 -5.934 0.000) 5.934 20.202 ( 0.000 -8.866 0.000) 8.866 21.299 ( 0.000 8.330 0.000) 8.330 21.333 ( 0.000 9.300 0.000) 9.300 21.633 ( 0.000 -8.909 0.000) 8.909 21.727 ( 0.000 -11.058 0.000) 11.058 27.967 ( 0.000 1.268 0.000) 1.268 28.010 ( 0.000 -1.334 0.000) 1.334 28.061 ( 0.000 0.421 0.000) 0.421 28.067 ( 0.000 0.019 0.000) 0.019 28.161 ( 0.000 1.142 0.000) 1.142 28.187 ( 0.000 0.204 0.000) 0.204 28.358 ( 0.000 -4.703 0.000) 4.703 28.380 ( 0.000 -6.422 0.000) 6.422 28.669 ( 0.000 0.537 0.000) 0.537 28.681 ( 0.000 0.366 0.000) 0.366 28.821 ( 0.000 -2.226 0.000) 2.226 28.830 ( 0.000 -2.461 0.000) 2.461 29.318 ( 0.000 3.037 0.000) 3.037 29.399 ( 0.000 -1.109 0.000) 1.109 29.445 ( 0.000 -2.023 0.000) 2.023 29.498 ( 0.000 -5.622 0.000) 5.622 29.749 ( 0.000 5.340 0.000) 5.340 29.936 ( 0.000 -2.934 0.000) 2.934 30.259 ( 0.000 4.924 0.000) 4.924 30.364 ( 0.000 -0.377 0.000) 0.377 30.442 ( 0.000 5.162 0.000) 5.162 30.547 ( 0.000 3.732 0.000) 3.732 30.567 ( 0.000 -1.084 0.000) 1.084 30.648 ( 0.000 1.104 0.000) 1.104 31.340 ( 0.000 -2.856 0.000) 2.856 31.371 ( 0.000 -4.638 0.000) 4.638 31.784 ( 0.000 -0.268 0.000) 0.268 31.896 ( 0.000 -3.864 0.000) 3.864 32.268 ( 0.000 6.567 0.000) 6.567 32.442 ( 0.000 -2.593 0.000) 2.593 32.521 ( 0.000 2.610 0.000) 2.610 32.534 ( 0.000 2.361 0.000) 2.361 ======================= Grid point 16 (11/45) ======================= q-point: ( 0.25 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( 8.014 5.834 0.000) 9.913 1.722 ( 6.838 9.561 0.000) 11.755 1.734 ( 2.109 -4.749 0.000) 5.196 1.814 ( 7.476 5.555 0.000) 9.314 1.887 ( 13.754 3.704 0.000) 14.244 2.046 ( -0.732 -2.556 0.000) 2.658 2.097 ( -1.968 0.911 0.000) 2.169 2.168 ( -2.072 1.911 0.000) 2.819 2.241 ( 2.287 1.806 0.000) 2.914 2.254 ( 1.759 -3.463 0.000) 3.884 2.319 ( -1.387 2.474 0.000) 2.836 2.418 ( -2.083 -2.214 0.000) 3.040 2.440 ( -2.856 2.710 0.000) 3.937 2.538 ( 0.601 -2.273 0.000) 2.351 2.580 ( -4.754 0.795 0.000) 4.820 2.627 ( 5.433 0.737 0.000) 5.482 2.680 ( 2.140 0.349 0.000) 2.168 2.768 ( 4.670 3.066 0.000) 5.586 2.826 ( -1.977 -2.651 0.000) 3.307 2.900 ( 0.638 -5.532 0.000) 5.568 2.954 ( 2.623 5.325 0.000) 5.936 3.048 ( -1.489 -1.037 0.000) 1.815 3.082 ( -0.103 -2.308 0.000) 2.310 3.125 ( 0.358 -1.126 0.000) 1.182 3.133 ( 1.752 -1.082 0.000) 2.060 3.191 ( -0.047 -1.839 0.000) 1.839 3.335 ( -2.118 1.129 0.000) 2.400 3.397 ( 2.830 4.900 0.000) 5.658 3.442 ( 3.492 -0.574 0.000) 3.539 3.555 ( -1.800 3.887 0.000) 4.283 3.618 ( 2.676 2.661 0.000) 3.773 3.676 ( -4.175 4.804 0.000) 6.365 3.797 ( 4.372 5.370 0.000) 6.924 3.822 ( 2.375 0.987 0.000) 2.572 3.934 ( -1.579 -0.167 0.000) 1.588 3.956 ( 3.002 0.716 0.000) 3.086 4.061 ( 3.251 6.726 0.000) 7.471 4.161 ( -5.698 0.930 0.000) 5.774 4.193 ( -2.936 -0.229 0.000) 2.944 4.254 ( -0.575 1.066 0.000) 1.211 4.329 ( 0.990 -1.613 0.000) 1.892 4.368 ( -3.600 10.239 0.000) 10.854 4.440 ( -5.326 -4.133 0.000) 6.741 4.543 ( -7.309 7.386 0.000) 10.391 4.566 ( 0.250 3.901 0.000) 3.909 4.639 ( -4.887 3.460 0.000) 5.988 4.703 ( -0.996 1.998 0.000) 2.232 4.724 ( -3.136 3.322 0.000) 4.568 4.767 ( -2.727 -0.163 0.000) 2.732 4.811 ( -9.869 -1.045 0.000) 9.925 4.920 ( 0.992 1.970 0.000) 2.206 4.969 ( 0.745 1.675 0.000) 1.833 5.010 ( -0.847 3.647 0.000) 3.744 5.062 ( -0.172 1.086 0.000) 1.100 5.129 ( -1.134 0.628 0.000) 1.296 5.178 ( -1.081 0.164 0.000) 1.094 5.302 ( -0.075 -4.098 0.000) 4.099 5.375 ( -0.531 -1.489 0.000) 1.581 5.435 ( 1.343 3.721 0.000) 3.956 5.449 ( -0.500 -4.848 0.000) 4.874 5.492 ( 4.787 -3.938 0.000) 6.199 5.599 ( -1.624 4.660 0.000) 4.934 5.617 ( 1.537 2.405 0.000) 2.854 5.703 ( -0.180 3.879 0.000) 3.884 5.809 ( 6.942 1.183 0.000) 7.042 5.862 ( 5.127 -3.840 0.000) 6.405 6.003 ( 1.890 -1.056 0.000) 2.165 6.055 ( 0.487 -4.784 0.000) 4.809 6.269 ( -2.799 4.248 0.000) 5.088 6.348 ( -3.236 2.355 0.000) 4.002 6.408 ( 1.716 1.220 0.000) 2.106 6.445 ( -0.534 1.227 0.000) 1.338 6.471 ( 0.724 -1.455 0.000) 1.625 6.556 ( -3.161 -4.713 0.000) 5.675 6.726 ( -2.995 1.204 0.000) 3.228 6.755 ( -0.168 -1.078 0.000) 1.091 6.803 ( -1.436 0.008 0.000) 1.436 6.809 ( 0.084 -1.481 0.000) 1.483 7.472 ( 0.874 7.249 0.000) 7.302 7.510 ( 1.352 6.269 0.000) 6.413 7.589 ( -2.074 3.192 0.000) 3.807 7.618 ( -3.007 2.995 0.000) 4.244 7.703 ( 4.323 6.436 0.000) 7.753 7.804 ( 2.262 1.221 0.000) 2.571 7.854 ( 4.167 4.181 0.000) 5.903 8.052 ( 8.494 -4.856 0.000) 9.784 8.214 ( -7.303 4.973 0.000) 8.835 8.409 ( -6.198 -3.760 0.000) 7.249 8.913 ( 0.666 3.767 0.000) 3.826 8.966 ( -1.329 2.946 0.000) 3.232 9.054 ( 2.455 -1.770 0.000) 3.026 9.110 ( -0.012 -4.424 0.000) 4.424 9.335 ( 0.014 -3.683 0.000) 3.683 9.389 ( -0.903 -2.253 0.000) 2.428 9.421 ( 1.829 -1.249 0.000) 2.215 9.483 ( -0.363 -4.409 0.000) 4.423 9.750 ( 9.450 -5.754 0.000) 11.064 9.895 ( 7.485 -9.825 0.000) 12.351 10.219 ( -9.754 -0.834 0.000) 9.790 10.284 ( -7.461 -3.424 0.000) 8.209 10.628 ( 2.774 0.286 0.000) 2.788 10.655 ( 2.795 2.708 0.000) 3.891 10.734 ( -2.807 -0.351 0.000) 2.829 10.777 ( -0.142 -0.769 0.000) 0.782 10.792 ( -0.752 -1.505 0.000) 1.682 10.830 ( -0.979 -0.032 0.000) 0.979 10.868 ( 0.324 0.693 0.000) 0.765 10.899 ( -4.775 -6.587 0.000) 8.135 11.021 ( 2.191 0.443 0.000) 2.236 11.129 ( -1.872 -3.908 0.000) 4.333 11.252 ( 6.242 -8.431 0.000) 10.490 11.368 ( -0.674 -8.866 0.000) 8.891 12.717 ( -0.244 3.488 0.000) 3.496 12.807 ( -5.000 -0.940 0.000) 5.088 13.004 ( 6.160 2.346 0.000) 6.592 13.073 ( 5.587 -0.457 0.000) 5.605 13.823 ( -0.841 1.835 0.000) 2.019 13.928 ( 2.085 2.197 0.000) 3.028 13.957 ( -5.249 -2.208 0.000) 5.694 13.997 ( -1.063 1.313 0.000) 1.689 14.095 ( -0.756 5.165 0.000) 5.220 14.104 ( -0.717 3.768 0.000) 3.835 14.266 ( 0.788 -3.759 0.000) 3.841 14.298 ( 0.311 -3.460 0.000) 3.474 14.368 ( -0.049 1.454 0.000) 1.454 14.394 ( -0.416 -0.826 0.000) 0.925 14.603 ( -0.062 0.587 0.000) 0.591 14.622 ( -0.899 -0.671 0.000) 1.122 15.219 ( 0.450 -0.269 0.000) 0.524 15.232 ( -0.089 -1.025 0.000) 1.029 15.613 ( -0.052 -0.055 0.000) 0.075 15.625 ( -0.656 -0.869 0.000) 1.089 15.674 ( 0.906 -0.127 0.000) 0.915 15.687 ( 0.543 -0.685 0.000) 0.874 15.894 ( 0.235 1.296 0.000) 1.317 15.906 ( -0.242 0.723 0.000) 0.763 16.495 ( -0.190 0.772 0.000) 0.795 16.512 ( -0.911 -0.071 0.000) 0.914 16.578 ( 0.425 -0.899 0.000) 0.995 16.596 ( -0.328 -1.357 0.000) 1.396 16.618 ( -0.511 0.386 0.000) 0.640 16.633 ( -1.651 -0.110 0.000) 1.655 16.778 ( 4.016 0.081 0.000) 4.017 16.824 ( 1.171 -1.041 0.000) 1.567 17.933 ( 3.654 2.152 0.000) 4.240 17.964 ( 3.500 0.524 0.000) 3.539 18.125 ( -4.153 2.420 0.000) 4.806 18.166 ( -5.497 0.360 0.000) 5.508 18.456 ( 0.758 1.587 0.000) 1.758 18.463 ( 0.342 1.228 0.000) 1.275 18.602 ( 2.312 2.443 0.000) 3.364 18.674 ( -0.973 -0.977 0.000) 1.379 19.833 ( 1.251 6.312 0.000) 6.435 19.896 ( -1.371 5.986 0.000) 6.141 20.078 ( 1.588 -6.031 0.000) 6.236 20.175 ( -2.554 -7.958 0.000) 8.358 21.303 ( 0.444 8.485 0.000) 8.496 21.327 ( -0.581 9.176 0.000) 9.195 21.651 ( 1.737 -9.553 0.000) 9.709 21.716 ( -1.069 -10.957 0.000) 11.009 27.972 ( 0.513 0.865 0.000) 1.006 28.002 ( -0.757 -1.002 0.000) 1.256 28.057 ( -0.256 0.342 0.000) 0.427 28.062 ( -0.405 0.023 0.000) 0.405 28.168 ( 0.625 1.060 0.000) 1.231 28.186 ( -0.169 0.400 0.000) 0.434 28.363 ( 0.541 -4.943 0.000) 4.972 28.381 ( -0.026 -6.224 0.000) 6.224 28.666 ( -0.188 0.557 0.000) 0.588 28.676 ( -0.472 0.287 0.000) 0.552 28.826 ( 0.491 -2.216 0.000) 2.270 28.833 ( 0.222 -2.417 0.000) 2.427 29.335 ( 1.566 1.611 0.000) 2.247 29.395 ( -1.096 -1.699 0.000) 2.022 29.453 ( 2.318 -0.944 0.000) 2.503 29.523 ( 1.300 -3.516 0.000) 3.748 29.780 ( 3.510 4.275 0.000) 5.532 29.938 ( -0.134 -2.509 0.000) 2.512 30.188 ( -7.565 3.981 0.000) 8.549 30.237 ( -9.125 0.619 0.000) 9.146 30.435 ( -0.648 5.028 0.000) 5.070 30.485 ( -3.707 3.559 0.000) 5.139 30.578 ( 0.855 0.407 0.000) 0.947 30.635 ( -1.383 0.283 0.000) 1.412 31.464 ( 10.547 -2.539 0.000) 10.848 31.525 ( 12.056 -5.592 0.000) 13.290 31.773 ( -0.941 0.001 0.000) 0.941 31.893 ( -1.136 -4.772 0.000) 4.905 32.271 ( 0.975 6.979 0.000) 7.047 32.427 ( -1.994 -0.442 0.000) 2.042 32.483 ( -3.957 1.324 0.000) 4.173 32.497 ( -2.446 1.726 0.000) 2.994 ======================= Grid point 17 (12/45) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( -1.682 6.120 0.000) 6.347 1.710 ( 1.682 6.120 0.000) 6.347 1.827 ( -4.235 -1.041 0.000) 4.361 1.827 ( 4.235 -1.041 0.000) 4.361 2.027 ( -0.202 2.305 0.000) 2.314 2.027 ( 0.202 2.305 0.000) 2.314 2.156 ( -3.351 2.096 0.000) 3.953 2.156 ( 3.351 2.096 0.000) 3.953 2.250 ( -3.172 -0.795 0.000) 3.270 2.250 ( 3.172 -0.795 0.000) 3.270 2.348 ( -0.690 0.725 0.000) 1.000 2.348 ( 0.690 0.725 0.000) 1.000 2.435 ( -0.583 -4.183 0.000) 4.224 2.435 ( 0.583 -4.183 0.000) 4.224 2.615 ( -1.856 -1.423 0.000) 2.338 2.615 ( 1.856 -1.423 0.000) 2.338 2.790 ( -2.334 0.712 0.000) 2.440 2.790 ( 2.334 0.712 0.000) 2.440 2.932 ( -0.820 1.173 0.000) 1.431 2.932 ( 0.820 1.173 0.000) 1.431 3.036 ( -3.734 0.750 0.000) 3.809 3.036 ( 3.734 0.750 0.000) 3.809 3.083 ( -3.048 -1.040 0.000) 3.221 3.083 ( 3.048 -1.040 0.000) 3.221 3.194 ( -1.327 -4.421 0.000) 4.616 3.194 ( 1.327 -4.421 0.000) 4.616 3.281 ( -0.650 5.021 0.000) 5.063 3.281 ( 0.650 5.021 0.000) 5.063 3.512 ( -0.223 6.947 0.000) 6.950 3.512 ( 0.223 6.947 0.000) 6.950 3.630 ( -1.025 6.641 0.000) 6.720 3.630 ( 1.025 6.641 0.000) 6.720 3.856 ( -0.396 5.506 0.000) 5.520 3.856 ( 0.396 5.506 0.000) 5.520 3.991 ( -13.166 0.843 0.000) 13.193 3.991 ( 13.166 0.843 0.000) 13.193 4.056 ( -3.358 0.169 0.000) 3.362 4.056 ( 3.358 0.169 0.000) 3.362 4.234 ( -5.491 4.316 0.000) 6.984 4.234 ( 5.491 4.316 0.000) 6.984 4.290 ( -1.413 -7.196 0.000) 7.333 4.290 ( 1.413 -7.196 0.000) 7.333 4.460 ( -2.443 3.190 0.000) 4.018 4.460 ( 2.443 3.190 0.000) 4.018 4.552 ( -5.232 0.399 0.000) 5.247 4.552 ( 5.232 0.399 0.000) 5.247 4.643 ( -1.495 2.685 0.000) 3.073 4.643 ( 1.495 2.685 0.000) 3.073 4.756 ( -0.456 2.680 0.000) 2.719 4.756 ( 0.456 2.680 0.000) 2.719 4.973 ( -0.451 2.748 0.000) 2.784 4.973 ( 0.451 2.748 0.000) 2.784 5.026 ( -2.119 1.053 0.000) 2.366 5.026 ( 2.119 1.053 0.000) 2.366 5.126 ( -1.675 2.555 0.000) 3.055 5.126 ( 1.675 2.555 0.000) 3.055 5.331 ( -1.989 -2.921 0.000) 3.533 5.331 ( 1.989 -2.921 0.000) 3.533 5.459 ( -0.197 -3.210 0.000) 3.216 5.459 ( 0.197 -3.210 0.000) 3.216 5.562 ( -1.295 1.311 0.000) 1.843 5.562 ( 1.295 1.311 0.000) 1.843 5.667 ( -0.477 2.971 0.000) 3.009 5.667 ( 0.477 2.971 0.000) 3.009 5.903 ( -0.313 -3.140 0.000) 3.155 5.903 ( 0.313 -3.140 0.000) 3.155 6.056 ( -0.423 1.108 0.000) 1.186 6.056 ( 0.423 1.108 0.000) 1.186 6.253 ( -0.417 5.096 0.000) 5.113 6.253 ( 0.417 5.096 0.000) 5.113 6.443 ( -0.045 1.245 0.000) 1.246 6.443 ( 0.045 1.245 0.000) 1.246 6.497 ( -0.278 -4.574 0.000) 4.583 6.497 ( 0.278 -4.574 0.000) 4.583 6.713 ( -2.001 -1.180 0.000) 2.323 6.713 ( 2.001 -1.180 0.000) 2.323 6.807 ( -0.015 -0.247 0.000) 0.247 6.807 ( 0.015 -0.247 0.000) 0.247 7.505 ( -0.253 6.179 0.000) 6.184 7.505 ( 0.253 6.179 0.000) 6.184 7.577 ( -0.075 3.012 0.000) 3.013 7.577 ( 0.075 3.012 0.000) 3.013 7.771 ( -0.341 3.880 0.000) 3.895 7.771 ( 0.341 3.880 0.000) 3.895 8.033 ( -10.041 5.148 0.000) 11.284 8.033 ( 10.041 5.148 0.000) 11.284 8.243 ( -8.882 -4.641 0.000) 10.021 8.243 ( 8.882 -4.641 0.000) 10.021 8.936 ( -0.243 3.749 0.000) 3.757 8.936 ( 0.243 3.749 0.000) 3.757 9.096 ( -0.327 -3.436 0.000) 3.451 9.096 ( 0.327 -3.436 0.000) 3.451 9.354 ( -0.154 -4.076 0.000) 4.079 9.354 ( 0.154 -4.076 0.000) 4.079 9.464 ( -0.154 -2.469 0.000) 2.474 9.464 ( 0.154 -2.469 0.000) 2.474 9.962 ( -6.339 -5.246 0.000) 8.229 9.962 ( 6.339 -5.246 0.000) 8.229 10.112 ( -5.423 -4.452 0.000) 7.016 10.112 ( 5.423 -4.452 0.000) 7.016 10.674 ( -1.030 0.762 0.000) 1.282 10.674 ( 1.030 0.762 0.000) 1.282 10.741 ( -2.482 -1.028 0.000) 2.687 10.741 ( 2.482 -1.028 0.000) 2.687 10.783 ( -0.214 -0.677 0.000) 0.710 10.783 ( 0.214 -0.677 0.000) 0.710 10.875 ( -0.174 0.868 0.000) 0.885 10.875 ( 0.174 0.868 0.000) 0.885 11.078 ( -3.248 -2.746 0.000) 4.253 11.078 ( 3.248 -2.746 0.000) 4.253 11.337 ( -0.527 -10.001 0.000) 10.015 11.337 ( 0.527 -10.001 0.000) 10.015 12.737 ( -0.586 0.976 0.000) 1.138 12.737 ( 0.586 0.976 0.000) 1.138 13.103 ( -0.809 2.478 0.000) 2.607 13.103 ( 0.809 2.478 0.000) 2.607 13.853 ( -1.806 -2.043 0.000) 2.727 13.853 ( 1.806 -2.043 0.000) 2.727 13.970 ( -1.005 2.320 0.000) 2.528 13.970 ( 1.005 2.320 0.000) 2.528 14.091 ( -0.073 4.719 0.000) 4.720 14.091 ( 0.073 4.719 0.000) 4.720 14.285 ( -0.164 -4.157 0.000) 4.160 14.285 ( 0.164 -4.157 0.000) 4.160 14.381 ( -0.258 1.070 0.000) 1.101 14.381 ( 0.258 1.070 0.000) 1.101 14.607 ( -0.223 -0.145 0.000) 0.266 14.607 ( 0.223 -0.145 0.000) 0.266 15.228 ( -0.014 -0.616 0.000) 0.617 15.228 ( 0.014 -0.616 0.000) 0.617 15.615 ( -0.006 -0.497 0.000) 0.497 15.615 ( 0.006 -0.497 0.000) 0.497 15.688 ( -0.033 -0.315 0.000) 0.317 15.688 ( 0.033 -0.315 0.000) 0.317 15.900 ( -0.023 0.984 0.000) 0.984 15.900 ( 0.023 0.984 0.000) 0.984 16.497 ( -0.516 0.363 0.000) 0.631 16.497 ( 0.516 0.363 0.000) 0.631 16.588 ( -0.232 -1.186 0.000) 1.208 16.588 ( 0.232 -1.186 0.000) 1.208 16.615 ( -0.017 0.230 0.000) 0.231 16.615 ( 0.017 0.230 0.000) 0.231 16.829 ( -0.174 -0.790 0.000) 0.809 16.829 ( 0.174 -0.790 0.000) 0.809 18.023 ( -1.590 2.507 0.000) 2.969 18.023 ( 1.590 2.507 0.000) 2.969 18.057 ( -1.315 0.381 0.000) 1.369 18.057 ( 1.315 0.381 0.000) 1.369 18.465 ( -0.002 1.808 0.000) 1.808 18.465 ( 0.002 1.808 0.000) 1.808 18.646 ( -0.381 0.097 0.000) 0.393 18.646 ( 0.381 0.097 0.000) 0.393 19.864 ( -0.399 6.134 0.000) 6.147 19.864 ( 0.399 6.134 0.000) 6.147 20.121 ( -0.610 -6.617 0.000) 6.645 20.121 ( 0.610 -6.617 0.000) 6.645 21.315 ( -0.012 8.844 0.000) 8.844 21.315 ( 0.012 8.844 0.000) 8.844 21.688 ( -0.119 -10.504 0.000) 10.504 21.688 ( 0.119 -10.504 0.000) 10.504 27.985 ( -0.118 -0.087 0.000) 0.146 27.985 ( 0.118 -0.087 0.000) 0.146 28.056 ( -0.002 0.132 0.000) 0.132 28.056 ( 0.002 0.132 0.000) 0.132 28.180 ( -0.028 0.787 0.000) 0.787 28.180 ( 0.028 0.787 0.000) 0.787 28.375 ( -0.147 -5.599 0.000) 5.601 28.375 ( 0.147 -5.599 0.000) 5.601 28.667 ( -0.049 0.397 0.000) 0.400 28.667 ( 0.049 0.397 0.000) 0.400 28.834 ( -0.022 -2.294 0.000) 2.294 28.834 ( 0.022 -2.294 0.000) 2.294 29.367 ( -0.201 -0.764 0.000) 0.790 29.367 ( 0.201 -0.764 0.000) 0.790 29.512 ( -0.312 -0.731 0.000) 0.795 29.512 ( 0.312 -0.731 0.000) 0.795 29.882 ( -6.280 1.104 0.000) 6.376 29.882 ( 6.280 1.104 0.000) 6.376 30.110 ( -1.095 1.257 0.000) 1.667 30.110 ( 1.095 1.257 0.000) 1.667 30.440 ( -0.097 5.083 0.000) 5.083 30.440 ( 0.097 5.083 0.000) 5.083 30.603 ( -0.234 -0.040 0.000) 0.237 30.603 ( 0.234 -0.040 0.000) 0.237 31.628 ( -4.154 -3.257 0.000) 5.278 31.628 ( 4.154 -3.257 0.000) 5.278 31.817 ( -5.159 -3.521 0.000) 6.246 31.817 ( 5.159 -3.521 0.000) 6.246 32.335 ( -4.997 5.496 0.000) 7.428 32.335 ( 4.997 5.496 0.000) 7.428 32.458 ( -0.241 -0.603 0.000) 0.649 32.458 ( 0.241 -0.603 0.000) 0.649 ======================= Grid point 20 (13/45) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 27 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( 0.000 -5.696 0.000) 5.696 1.578 ( 0.000 5.696 0.000) 5.696 1.695 ( 0.000 -1.489 0.000) 1.489 1.695 ( 0.000 1.489 0.000) 1.489 1.937 ( 0.000 -7.285 0.000) 7.285 1.937 ( 0.000 7.285 0.000) 7.285 2.157 ( 0.000 -3.076 0.000) 3.076 2.157 ( 0.000 3.076 0.000) 3.076 2.249 ( 0.000 -0.759 0.000) 0.759 2.249 ( 0.000 0.759 0.000) 0.759 2.398 ( 0.000 -1.302 0.000) 1.302 2.398 ( 0.000 1.302 0.000) 1.302 2.534 ( 0.000 -0.309 0.000) 0.309 2.534 ( 0.000 0.309 0.000) 0.309 2.642 ( 0.000 -3.366 0.000) 3.366 2.642 ( 0.000 3.366 0.000) 3.366 2.717 ( 0.000 -5.213 0.000) 5.213 2.717 ( 0.000 5.213 0.000) 5.213 2.866 ( 0.000 -6.693 0.000) 6.693 2.866 ( 0.000 6.693 0.000) 6.693 2.975 ( 0.000 -4.752 0.000) 4.752 2.975 ( 0.000 4.752 0.000) 4.752 3.057 ( 0.000 -1.157 0.000) 1.157 3.057 ( 0.000 1.157 0.000) 1.157 3.153 ( 0.000 -1.840 0.000) 1.840 3.153 ( 0.000 1.840 0.000) 1.840 3.317 ( 0.000 -3.865 0.000) 3.865 3.317 ( 0.000 3.865 0.000) 3.865 3.411 ( 0.000 -6.881 0.000) 6.881 3.411 ( 0.000 6.881 0.000) 6.881 3.652 ( 0.000 -2.193 0.000) 2.193 3.652 ( 0.000 2.193 0.000) 2.193 3.853 ( 0.000 -0.916 0.000) 0.916 3.853 ( 0.000 0.916 0.000) 0.916 3.978 ( 0.000 -6.934 0.000) 6.934 3.978 ( 0.000 6.934 0.000) 6.934 4.185 ( 0.000 -8.120 0.000) 8.120 4.185 ( 0.000 8.120 0.000) 8.120 4.273 ( 0.000 -1.377 0.000) 1.377 4.273 ( 0.000 1.377 0.000) 1.377 4.365 ( 0.000 -4.407 0.000) 4.407 4.365 ( 0.000 4.407 0.000) 4.407 4.614 ( 0.000 -1.309 0.000) 1.309 4.614 ( 0.000 1.309 0.000) 1.309 4.687 ( 0.000 -1.870 0.000) 1.870 4.687 ( 0.000 1.870 0.000) 1.870 4.757 ( 0.000 -4.400 0.000) 4.400 4.757 ( 0.000 4.400 0.000) 4.400 4.919 ( 0.000 -5.880 0.000) 5.880 4.919 ( 0.000 5.880 0.000) 5.880 4.938 ( 0.000 -5.198 0.000) 5.198 4.938 ( 0.000 5.198 0.000) 5.198 5.066 ( 0.000 -1.294 0.000) 1.294 5.066 ( 0.000 1.294 0.000) 1.294 5.123 ( 0.000 -0.234 0.000) 0.234 5.123 ( 0.000 0.234 0.000) 0.234 5.298 ( 0.000 -2.723 0.000) 2.723 5.298 ( 0.000 2.723 0.000) 2.723 5.445 ( 0.000 -3.620 0.000) 3.620 5.445 ( 0.000 3.620 0.000) 3.620 5.576 ( 0.000 -6.999 0.000) 6.999 5.576 ( 0.000 6.999 0.000) 6.999 5.646 ( 0.000 -2.234 0.000) 2.234 5.646 ( 0.000 2.234 0.000) 2.234 5.784 ( 0.000 -2.729 0.000) 2.729 5.784 ( 0.000 2.729 0.000) 2.729 5.952 ( 0.000 -2.386 0.000) 2.386 5.952 ( 0.000 2.386 0.000) 2.386 6.337 ( 0.000 -1.055 0.000) 1.055 6.337 ( 0.000 1.055 0.000) 1.055 6.441 ( 0.000 -1.236 0.000) 1.236 6.441 ( 0.000 1.236 0.000) 1.236 6.531 ( 0.000 -2.932 0.000) 2.932 6.531 ( 0.000 2.932 0.000) 2.932 6.757 ( 0.000 -0.304 0.000) 0.304 6.757 ( 0.000 0.304 0.000) 0.304 6.813 ( 0.000 -0.387 0.000) 0.387 6.813 ( 0.000 0.387 0.000) 0.387 7.559 ( 0.000 -1.532 0.000) 1.532 7.559 ( 0.000 1.532 0.000) 1.532 7.689 ( 0.000 -0.969 0.000) 0.969 7.689 ( 0.000 0.969 0.000) 0.969 7.736 ( 0.000 -2.164 0.000) 2.164 7.736 ( 0.000 2.164 0.000) 2.164 7.884 ( 0.000 -3.149 0.000) 3.149 7.884 ( 0.000 3.149 0.000) 3.149 8.384 ( 0.000 -5.151 0.000) 5.151 8.384 ( 0.000 5.151 0.000) 5.151 8.968 ( 0.000 -2.537 0.000) 2.537 8.968 ( 0.000 2.537 0.000) 2.537 9.042 ( 0.000 -2.045 0.000) 2.045 9.042 ( 0.000 2.045 0.000) 2.045 9.340 ( 0.000 -4.085 0.000) 4.085 9.340 ( 0.000 4.085 0.000) 4.085 9.401 ( 0.000 -2.015 0.000) 2.015 9.401 ( 0.000 2.015 0.000) 2.015 9.659 ( 0.000 -6.050 0.000) 6.050 9.659 ( 0.000 6.050 0.000) 6.050 10.331 ( 0.000 -0.465 0.000) 0.465 10.331 ( 0.000 0.465 0.000) 0.465 10.671 ( 0.000 -11.006 0.000) 11.006 10.671 ( 0.000 11.006 0.000) 11.006 10.731 ( 0.000 -4.750 0.000) 4.750 10.731 ( 0.000 4.750 0.000) 4.750 10.772 ( 0.000 -0.634 0.000) 0.634 10.772 ( 0.000 0.634 0.000) 0.634 10.836 ( 0.000 -0.470 0.000) 0.470 10.836 ( 0.000 0.470 0.000) 0.470 11.081 ( 0.000 -4.551 0.000) 4.551 11.081 ( 0.000 4.551 0.000) 4.551 11.222 ( 0.000 -6.756 0.000) 6.756 11.222 ( 0.000 6.756 0.000) 6.756 12.832 ( 0.000 -4.941 0.000) 4.941 12.832 ( 0.000 4.941 0.000) 4.941 12.945 ( 0.000 -0.312 0.000) 0.312 12.945 ( 0.000 0.312 0.000) 0.312 13.909 ( 0.000 -2.786 0.000) 2.786 13.909 ( 0.000 2.786 0.000) 2.786 14.000 ( 0.000 -1.296 0.000) 1.296 14.000 ( 0.000 1.296 0.000) 1.296 14.167 ( 0.000 -1.335 0.000) 1.335 14.167 ( 0.000 1.335 0.000) 1.335 14.226 ( 0.000 -2.849 0.000) 2.849 14.226 ( 0.000 2.849 0.000) 2.849 14.380 ( 0.000 -0.351 0.000) 0.351 14.380 ( 0.000 0.351 0.000) 0.351 14.619 ( 0.000 -0.656 0.000) 0.656 14.619 ( 0.000 0.656 0.000) 0.656 15.217 ( 0.000 -0.453 0.000) 0.453 15.217 ( 0.000 0.453 0.000) 0.453 15.620 ( 0.000 -0.445 0.000) 0.445 15.620 ( 0.000 0.445 0.000) 0.445 15.666 ( 0.000 -0.461 0.000) 0.461 15.666 ( 0.000 0.461 0.000) 0.461 15.910 ( 0.000 -0.446 0.000) 0.446 15.910 ( 0.000 0.446 0.000) 0.446 16.515 ( 0.000 -0.689 0.000) 0.689 16.515 ( 0.000 0.689 0.000) 0.689 16.575 ( 0.000 -0.851 0.000) 0.851 16.575 ( 0.000 0.851 0.000) 0.851 16.641 ( 0.000 -1.151 0.000) 1.151 16.641 ( 0.000 1.151 0.000) 1.151 16.767 ( 0.000 -2.778 0.000) 2.778 16.767 ( 0.000 2.778 0.000) 2.778 17.926 ( 0.000 -0.838 0.000) 0.838 17.926 ( 0.000 0.838 0.000) 0.838 18.209 ( 0.000 -1.613 0.000) 1.613 18.209 ( 0.000 1.613 0.000) 1.613 18.461 ( 0.000 -0.426 0.000) 0.426 18.461 ( 0.000 0.426 0.000) 0.426 18.645 ( 0.000 -2.814 0.000) 2.814 18.645 ( 0.000 2.814 0.000) 2.814 19.945 ( 0.000 -6.479 0.000) 6.479 19.945 ( 0.000 6.479 0.000) 6.479 20.042 ( 0.000 -7.838 0.000) 7.838 20.042 ( 0.000 7.838 0.000) 7.838 21.463 ( 0.000 -8.860 0.000) 8.860 21.463 ( 0.000 8.860 0.000) 8.860 21.521 ( 0.000 -10.423 0.000) 10.423 21.521 ( 0.000 10.423 0.000) 10.423 27.988 ( 0.000 -1.056 0.000) 1.056 27.988 ( 0.000 1.056 0.000) 1.056 28.066 ( 0.000 -0.127 0.000) 0.127 28.066 ( 0.000 0.127 0.000) 0.127 28.184 ( 0.000 -0.888 0.000) 0.888 28.184 ( 0.000 0.888 0.000) 0.888 28.309 ( 0.000 -0.385 0.000) 0.385 28.309 ( 0.000 0.385 0.000) 0.385 28.681 ( 0.000 -0.411 0.000) 0.411 28.681 ( 0.000 0.411 0.000) 0.411 28.805 ( 0.000 -0.311 0.000) 0.311 28.805 ( 0.000 0.311 0.000) 0.311 29.377 ( 0.000 -2.380 0.000) 2.380 29.377 ( 0.000 2.380 0.000) 2.380 29.423 ( 0.000 -1.011 0.000) 1.011 29.423 ( 0.000 1.011 0.000) 1.011 29.856 ( 0.000 -5.284 0.000) 5.284 29.856 ( 0.000 5.284 0.000) 5.284 30.334 ( 0.000 -2.760 0.000) 2.760 30.334 ( 0.000 2.760 0.000) 2.760 30.523 ( 0.000 -3.417 0.000) 3.417 30.523 ( 0.000 3.417 0.000) 3.417 30.622 ( 0.000 -3.345 0.000) 3.345 30.622 ( 0.000 3.345 0.000) 3.345 31.316 ( 0.000 -0.757 0.000) 0.757 31.316 ( 0.000 0.757 0.000) 0.757 31.816 ( 0.000 -3.523 0.000) 3.523 31.816 ( 0.000 3.523 0.000) 3.523 32.377 ( 0.000 -4.600 0.000) 4.600 32.377 ( 0.000 4.600 0.000) 4.600 32.554 ( 0.000 -0.436 0.000) 0.436 32.554 ( 0.000 0.436 0.000) 0.436 ======================= Grid point 22 (14/45) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( 6.297 -2.513 0.000) 6.780 1.643 ( 6.297 2.513 0.000) 6.780 1.802 ( 5.017 -0.666 0.000) 5.061 1.802 ( 5.017 0.666 0.000) 5.061 2.009 ( 7.614 -3.573 0.000) 8.411 2.009 ( 7.614 3.573 0.000) 8.411 2.161 ( -0.812 -1.534 0.000) 1.736 2.161 ( -0.812 1.534 0.000) 1.736 2.232 ( 0.341 -0.977 0.000) 1.035 2.232 ( 0.341 0.977 0.000) 1.035 2.382 ( -1.792 -0.601 0.000) 1.891 2.382 ( -1.792 0.601 0.000) 1.891 2.514 ( -10.509 -0.698 0.000) 10.533 2.514 ( -10.509 0.698 0.000) 10.533 2.584 ( 3.964 -1.143 0.000) 4.125 2.584 ( 3.964 1.143 0.000) 4.125 2.713 ( 2.731 -4.532 0.000) 5.291 2.713 ( 2.731 4.532 0.000) 5.291 2.850 ( 1.306 -2.957 0.000) 3.232 2.850 ( 1.306 2.957 0.000) 3.232 3.016 ( 2.615 -1.356 0.000) 2.946 3.016 ( 2.615 1.356 0.000) 2.946 3.072 ( 0.409 -3.073 0.000) 3.100 3.072 ( 0.409 3.073 0.000) 3.100 3.140 ( -0.869 -2.015 0.000) 2.195 3.140 ( -0.869 2.015 0.000) 2.195 3.404 ( 0.702 -0.980 0.000) 1.205 3.404 ( 0.702 0.980 0.000) 1.205 3.476 ( 9.387 -4.874 0.000) 10.577 3.476 ( 9.387 4.874 0.000) 10.577 3.702 ( 2.551 -2.212 0.000) 3.376 3.702 ( 2.551 2.212 0.000) 3.376 3.822 ( -0.410 -0.707 0.000) 0.817 3.822 ( -0.410 0.707 0.000) 0.817 3.995 ( 1.889 -7.667 0.000) 7.896 3.995 ( 1.889 7.667 0.000) 7.896 4.118 ( -8.219 -5.523 0.000) 9.902 4.118 ( -8.219 5.523 0.000) 9.902 4.248 ( -0.298 -5.815 0.000) 5.823 4.248 ( -0.298 5.815 0.000) 5.823 4.334 ( -2.136 -4.343 0.000) 4.840 4.334 ( -2.136 4.343 0.000) 4.840 4.569 ( -7.856 -7.300 0.000) 10.725 4.569 ( -7.856 7.300 0.000) 10.725 4.666 ( -0.950 -0.139 0.000) 0.960 4.666 ( -0.950 0.139 0.000) 0.960 4.729 ( -3.728 -3.826 0.000) 5.342 4.729 ( -3.728 3.826 0.000) 5.342 4.770 ( -6.292 -1.486 0.000) 6.465 4.770 ( -6.292 1.486 0.000) 6.465 5.000 ( 3.387 -1.596 0.000) 3.745 5.000 ( 3.387 1.596 0.000) 3.745 5.044 ( -1.379 -2.315 0.000) 2.695 5.044 ( -1.379 2.315 0.000) 2.695 5.180 ( 1.472 -2.232 0.000) 2.674 5.180 ( 1.472 2.232 0.000) 2.674 5.267 ( -0.129 -5.340 0.000) 5.342 5.267 ( -0.129 5.340 0.000) 5.342 5.393 ( -4.048 -0.712 0.000) 4.110 5.393 ( -4.048 0.712 0.000) 4.110 5.587 ( 3.181 -2.682 0.000) 4.161 5.587 ( 3.181 2.682 0.000) 4.161 5.717 ( 0.996 -1.054 0.000) 1.450 5.717 ( 0.996 1.054 0.000) 1.450 5.812 ( 2.877 -0.812 0.000) 2.990 5.812 ( 2.877 0.812 0.000) 2.990 5.990 ( 4.662 -0.576 0.000) 4.698 5.990 ( 4.662 0.576 0.000) 4.698 6.333 ( -0.483 -1.039 0.000) 1.146 6.333 ( -0.483 1.039 0.000) 1.146 6.449 ( 0.593 -0.127 0.000) 0.607 6.449 ( 0.593 0.127 0.000) 0.607 6.488 ( -3.663 -2.586 0.000) 4.484 6.488 ( -3.663 2.586 0.000) 4.484 6.731 ( -2.570 -0.179 0.000) 2.576 6.731 ( -2.570 0.179 0.000) 2.576 6.811 ( 0.223 -0.083 0.000) 0.238 6.811 ( 0.223 0.083 0.000) 0.238 7.566 ( 0.788 -2.008 0.000) 2.157 7.566 ( 0.788 2.008 0.000) 2.157 7.632 ( -2.921 -1.158 0.000) 3.143 7.632 ( -2.921 1.158 0.000) 3.143 7.796 ( 1.962 -0.452 0.000) 2.014 7.796 ( 1.962 0.452 0.000) 2.014 7.952 ( 7.939 -5.574 0.000) 9.700 7.952 ( 7.939 5.574 0.000) 9.700 8.319 ( -6.786 -5.348 0.000) 8.640 8.319 ( -6.786 5.348 0.000) 8.640 8.973 ( 0.509 -1.152 0.000) 1.260 8.973 ( 0.509 1.152 0.000) 1.260 9.050 ( 0.583 -0.946 0.000) 1.111 9.050 ( 0.583 0.946 0.000) 1.111 9.316 ( -1.683 -0.839 0.000) 1.880 9.316 ( -1.683 0.839 0.000) 1.880 9.423 ( 1.406 -0.344 0.000) 1.448 9.423 ( 1.406 0.344 0.000) 1.448 9.751 ( 9.088 -4.329 0.000) 10.067 9.751 ( 9.088 4.329 0.000) 10.067 10.232 ( -9.329 -1.775 0.000) 9.497 10.232 ( -9.329 1.775 0.000) 9.497 10.675 ( -0.096 -4.608 0.000) 4.609 10.675 ( -0.096 4.608 0.000) 4.609 10.730 ( 0.404 -3.389 0.000) 3.413 10.730 ( 0.404 3.389 0.000) 3.413 10.771 ( -0.110 -0.422 0.000) 0.436 10.771 ( -0.110 0.422 0.000) 0.436 10.866 ( 2.189 -0.613 0.000) 2.273 10.866 ( 2.189 0.613 0.000) 2.273 11.063 ( -1.372 -3.281 0.000) 3.556 11.063 ( -1.372 3.281 0.000) 3.556 11.229 ( 0.530 -3.312 0.000) 3.354 11.229 ( 0.530 3.312 0.000) 3.354 12.776 ( -2.930 -1.175 0.000) 3.157 12.776 ( -2.930 1.175 0.000) 3.157 13.049 ( 7.001 -1.019 0.000) 7.075 13.049 ( 7.001 1.019 0.000) 7.075 13.875 ( -3.207 -2.543 0.000) 4.093 13.875 ( -3.207 2.543 0.000) 4.093 13.994 ( -0.200 -1.676 0.000) 1.688 13.994 ( -0.200 1.676 0.000) 1.688 14.166 ( -0.161 -0.766 0.000) 0.783 14.166 ( -0.161 0.766 0.000) 0.783 14.222 ( -0.455 -2.326 0.000) 2.370 14.222 ( -0.455 2.326 0.000) 2.370 14.387 ( 0.585 -0.461 0.000) 0.745 14.387 ( 0.585 0.461 0.000) 0.745 14.612 ( -0.566 -0.297 0.000) 0.640 14.612 ( -0.566 0.297 0.000) 0.640 15.219 ( 0.204 -0.026 0.000) 0.206 15.219 ( 0.204 0.026 0.000) 0.206 15.614 ( -0.372 -0.010 0.000) 0.372 15.614 ( -0.372 0.010 0.000) 0.372 15.677 ( 0.789 -0.045 0.000) 0.790 15.677 ( 0.789 0.045 0.000) 0.790 15.909 ( -0.027 -0.053 0.000) 0.060 15.909 ( -0.027 0.053 0.000) 0.060 16.508 ( -0.514 -0.464 0.000) 0.693 16.508 ( -0.514 0.464 0.000) 0.693 16.575 ( -0.002 -0.588 0.000) 0.588 16.575 ( -0.002 0.588 0.000) 0.588 16.628 ( -0.869 -0.090 0.000) 0.874 16.628 ( -0.869 0.090 0.000) 0.874 16.796 ( 2.143 -0.713 0.000) 2.258 16.796 ( 2.143 0.713 0.000) 2.258 17.962 ( 3.673 -0.501 0.000) 3.707 17.962 ( 3.673 0.501 0.000) 3.707 18.159 ( -4.756 -0.583 0.000) 4.791 18.159 ( -4.756 0.583 0.000) 4.791 18.473 ( 0.908 -0.004 0.000) 0.908 18.473 ( 0.908 0.004 0.000) 0.908 18.646 ( 0.098 -0.968 0.000) 0.973 18.646 ( 0.098 0.968 0.000) 0.973 19.957 ( 1.261 -6.520 0.000) 6.641 19.957 ( 1.261 6.520 0.000) 6.641 20.026 ( -1.531 -7.357 0.000) 7.515 20.026 ( -1.531 7.357 0.000) 7.515 21.468 ( 0.492 -4.742 0.000) 4.768 21.468 ( 0.492 4.742 0.000) 4.768 21.517 ( -0.401 -6.078 0.000) 6.091 21.517 ( -0.401 6.078 0.000) 6.091 27.985 ( -0.183 -0.188 0.000) 0.262 27.985 ( -0.183 0.188 0.000) 0.262 28.061 ( -0.357 -0.002 0.000) 0.357 28.061 ( -0.357 0.002 0.000) 0.357 28.187 ( 0.268 -0.102 0.000) 0.287 28.187 ( 0.268 0.102 0.000) 0.287 28.312 ( 0.270 -0.105 0.000) 0.289 28.312 ( 0.270 0.105 0.000) 0.289 28.676 ( -0.350 -0.111 0.000) 0.367 28.676 ( -0.350 0.111 0.000) 0.367 28.810 ( 0.391 -0.054 0.000) 0.395 28.810 ( 0.391 0.054 0.000) 0.395 29.363 ( -0.697 -0.335 0.000) 0.773 29.363 ( -0.697 0.335 0.000) 0.773 29.467 ( 3.308 -0.484 0.000) 3.343 29.467 ( 3.308 0.484 0.000) 3.343 29.869 ( 1.379 -4.310 0.000) 4.525 29.869 ( 1.379 4.310 0.000) 4.525 30.235 ( -8.693 -0.555 0.000) 8.711 30.235 ( -8.693 0.555 0.000) 8.711 30.510 ( -0.472 -1.128 0.000) 1.222 30.510 ( -0.472 1.128 0.000) 1.222 30.600 ( -1.617 -1.205 0.000) 2.017 30.600 ( -1.617 1.205 0.000) 2.017 31.453 ( 11.117 -1.465 0.000) 11.214 31.453 ( 11.117 1.465 0.000) 11.214 31.807 ( -1.235 -2.822 0.000) 3.081 31.807 ( -1.235 2.822 0.000) 3.081 32.379 ( 0.576 -4.198 0.000) 4.238 32.379 ( 0.576 4.198 0.000) 4.238 32.511 ( -4.061 -0.263 0.000) 4.069 32.511 ( -4.061 0.263 0.000) 4.069 ======================= Grid point 24 (15/45) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( 0.000 0.000 0.000) 0.000 1.764 ( 0.000 0.000 0.000) 0.000 1.795 ( 0.000 0.000 0.000) 0.000 1.795 ( 0.000 0.000 0.000) 0.000 2.072 ( 0.000 0.000 0.000) 0.000 2.072 ( 0.000 0.000 0.000) 0.000 2.205 ( -0.000 0.000 0.000) 0.000 2.205 ( -0.000 0.000 0.000) 0.000 2.230 ( 0.000 -0.000 0.000) 0.000 2.230 ( 0.000 -0.000 0.000) 0.000 2.343 ( 0.000 0.000 0.000) 0.000 2.343 ( 0.000 0.000 0.000) 0.000 2.389 ( 0.000 -0.000 0.000) 0.000 2.389 ( 0.000 -0.000 0.000) 0.000 2.608 ( -0.000 0.000 0.000) 0.000 2.608 ( -0.000 0.000 0.000) 0.000 2.789 ( 0.000 0.000 0.000) 0.000 2.789 ( 0.000 0.000 0.000) 0.000 2.935 ( -0.000 0.000 0.000) 0.000 2.935 ( -0.000 0.000 0.000) 0.000 3.045 ( 0.000 0.000 0.000) 0.000 3.045 ( 0.000 0.000 0.000) 0.000 3.075 ( 0.000 0.000 0.000) 0.000 3.075 ( 0.000 0.000 0.000) 0.000 3.125 ( 0.000 0.000 0.000) 0.000 3.125 ( 0.000 0.000 0.000) 0.000 3.346 ( 0.000 0.000 0.000) 0.000 3.346 ( 0.000 0.000 0.000) 0.000 3.606 ( 0.000 0.000 0.000) 0.000 3.606 ( 0.000 0.000 0.000) 0.000 3.677 ( -0.000 0.000 0.000) 0.000 3.677 ( -0.000 0.000 0.000) 0.000 3.918 ( -0.000 0.000 0.000) 0.000 3.918 ( -0.000 0.000 0.000) 0.000 3.952 ( 0.000 0.000 0.000) 0.000 3.952 ( 0.000 0.000 0.000) 0.000 4.055 ( -0.000 0.000 0.000) 0.000 4.055 ( -0.000 0.000 0.000) 0.000 4.194 ( 0.000 0.000 0.000) 0.000 4.194 ( 0.000 0.000 0.000) 0.000 4.374 ( 0.000 0.000 0.000) 0.000 4.374 ( 0.000 0.000 0.000) 0.000 4.426 ( 0.000 0.000 0.000) 0.000 4.426 ( 0.000 0.000 0.000) 0.000 4.608 ( 0.000 0.000 0.000) 0.000 4.608 ( 0.000 0.000 0.000) 0.000 4.656 ( 0.000 -0.000 0.000) 0.000 4.656 ( 0.000 -0.000 0.000) 0.000 4.787 ( 0.000 0.000 0.000) 0.000 4.787 ( 0.000 0.000 0.000) 0.000 5.006 ( 0.000 0.000 0.000) 0.000 5.006 ( 0.000 0.000 0.000) 0.000 5.043 ( 0.000 0.000 0.000) 0.000 5.043 ( 0.000 0.000 0.000) 0.000 5.195 ( 0.000 0.000 0.000) 0.000 5.195 ( 0.000 0.000 0.000) 0.000 5.280 ( 0.000 0.000 0.000) 0.000 5.280 ( 0.000 0.000 0.000) 0.000 5.343 ( 0.000 0.000 0.000) 0.000 5.343 ( 0.000 0.000 0.000) 0.000 5.650 ( 0.000 0.000 0.000) 0.000 5.650 ( 0.000 0.000 0.000) 0.000 5.689 ( 0.000 0.000 0.000) 0.000 5.689 ( 0.000 0.000 0.000) 0.000 5.844 ( 0.000 0.000 0.000) 0.000 5.844 ( 0.000 0.000 0.000) 0.000 6.067 ( 0.000 0.000 0.000) 0.000 6.067 ( 0.000 0.000 0.000) 0.000 6.320 ( 0.000 0.000 0.000) 0.000 6.320 ( 0.000 0.000 0.000) 0.000 6.434 ( 0.000 0.000 0.000) 0.000 6.434 ( 0.000 0.000 0.000) 0.000 6.464 ( 0.000 0.000 0.000) 0.000 6.464 ( 0.000 0.000 0.000) 0.000 6.697 ( 0.000 0.000 0.000) 0.000 6.697 ( 0.000 0.000 0.000) 0.000 6.816 ( 0.000 0.000 0.000) 0.000 6.816 ( 0.000 0.000 0.000) 0.000 7.585 ( 0.000 0.000 0.000) 0.000 7.585 ( 0.000 0.000 0.000) 0.000 7.593 ( -0.000 0.000 0.000) 0.000 7.593 ( -0.000 0.000 0.000) 0.000 7.809 ( 0.000 0.000 0.000) 0.000 7.809 ( 0.000 0.000 0.000) 0.000 8.144 ( -0.000 0.000 0.000) 0.000 8.144 ( -0.000 0.000 0.000) 0.000 8.145 ( 0.000 -0.000 0.000) 0.000 8.145 ( 0.000 -0.000 0.000) 0.000 8.980 ( 0.000 0.000 0.000) 0.000 8.980 ( 0.000 0.000 0.000) 0.000 9.057 ( 0.000 0.000 0.000) 0.000 9.057 ( 0.000 0.000 0.000) 0.000 9.298 ( 0.000 0.000 0.000) 0.000 9.298 ( 0.000 0.000 0.000) 0.000 9.438 ( 0.000 0.000 0.000) 0.000 9.438 ( 0.000 0.000 0.000) 0.000 9.913 ( 0.000 0.000 0.000) 0.000 9.913 ( 0.000 0.000 0.000) 0.000 10.070 ( -0.000 0.000 0.000) 0.000 10.070 ( -0.000 0.000 0.000) 0.000 10.671 ( 0.000 0.000 0.000) 0.000 10.671 ( 0.000 0.000 0.000) 0.000 10.738 ( 0.000 0.000 0.000) 0.000 10.738 ( 0.000 0.000 0.000) 0.000 10.769 ( 0.000 0.000 0.000) 0.000 10.769 ( 0.000 0.000 0.000) 0.000 10.890 ( 0.000 0.000 0.000) 0.000 10.890 ( 0.000 0.000 0.000) 0.000 11.047 ( 0.000 0.000 0.000) 0.000 11.047 ( 0.000 0.000 0.000) 0.000 11.235 ( 0.000 0.000 0.000) 0.000 11.235 ( 0.000 0.000 0.000) 0.000 12.748 ( 0.000 0.000 0.000) 0.000 12.748 ( 0.000 0.000 0.000) 0.000 13.128 ( 0.000 0.000 0.000) 0.000 13.128 ( 0.000 0.000 0.000) 0.000 13.833 ( 0.000 0.000 0.000) 0.000 13.833 ( 0.000 0.000 0.000) 0.000 13.994 ( 0.000 0.000 0.000) 0.000 13.994 ( 0.000 0.000 0.000) 0.000 14.164 ( 0.000 0.000 0.000) 0.000 14.164 ( 0.000 0.000 0.000) 0.000 14.216 ( 0.000 0.000 0.000) 0.000 14.216 ( 0.000 0.000 0.000) 0.000 14.394 ( 0.000 0.000 0.000) 0.000 14.394 ( 0.000 0.000 0.000) 0.000 14.605 ( 0.000 0.000 0.000) 0.000 14.605 ( 0.000 0.000 0.000) 0.000 15.222 ( 0.000 0.000 0.000) 0.000 15.222 ( 0.000 0.000 0.000) 0.000 15.610 ( 0.000 0.000 0.000) 0.000 15.610 ( 0.000 0.000 0.000) 0.000 15.686 ( 0.000 0.000 0.000) 0.000 15.686 ( 0.000 0.000 0.000) 0.000 15.909 ( 0.000 0.000 0.000) 0.000 15.909 ( 0.000 0.000 0.000) 0.000 16.502 ( 0.000 0.000 0.000) 0.000 16.502 ( 0.000 0.000 0.000) 0.000 16.575 ( 0.000 0.000 0.000) 0.000 16.575 ( 0.000 0.000 0.000) 0.000 16.619 ( 0.000 0.000 0.000) 0.000 16.619 ( 0.000 0.000 0.000) 0.000 16.820 ( 0.000 0.000 0.000) 0.000 16.820 ( 0.000 0.000 0.000) 0.000 18.054 ( 0.000 0.000 0.000) 0.000 18.054 ( 0.000 0.000 0.000) 0.000 18.055 ( -0.000 -0.000 0.000) 0.000 18.055 ( -0.000 -0.000 0.000) 0.000 18.483 ( 0.000 0.000 0.000) 0.000 18.483 ( 0.000 0.000 0.000) 0.000 18.647 ( 0.000 0.000 0.000) 0.000 18.647 ( 0.000 0.000 0.000) 0.000 19.984 ( 0.000 0.000 0.000) 0.000 19.984 ( 0.000 0.000 0.000) 0.000 19.996 ( -0.000 -0.000 0.000) 0.000 19.996 ( -0.000 -0.000 0.000) 0.000 21.475 ( 0.000 0.000 0.000) 0.000 21.475 ( 0.000 0.000 0.000) 0.000 21.511 ( 0.000 -0.000 0.000) 0.000 21.511 ( 0.000 -0.000 0.000) 0.000 27.983 ( 0.000 0.000 0.000) 0.000 27.983 ( 0.000 0.000 0.000) 0.000 28.057 ( 0.000 0.000 0.000) 0.000 28.057 ( 0.000 0.000 0.000) 0.000 28.190 ( 0.000 0.000 0.000) 0.000 28.190 ( 0.000 0.000 0.000) 0.000 28.316 ( 0.000 0.000 0.000) 0.000 28.316 ( 0.000 0.000 0.000) 0.000 28.672 ( 0.000 0.000 0.000) 0.000 28.672 ( 0.000 0.000 0.000) 0.000 28.814 ( 0.000 0.000 0.000) 0.000 28.814 ( 0.000 0.000 0.000) 0.000 29.357 ( 0.000 0.000 0.000) 0.000 29.357 ( 0.000 0.000 0.000) 0.000 29.507 ( 0.000 0.000 0.000) 0.000 29.507 ( 0.000 0.000 0.000) 0.000 29.894 ( 0.000 0.000 0.000) 0.000 29.894 ( 0.000 0.000 0.000) 0.000 30.123 ( -0.000 0.000 0.000) 0.000 30.123 ( -0.000 0.000 0.000) 0.000 30.509 ( 0.000 0.000 0.000) 0.000 30.509 ( 0.000 0.000 0.000) 0.000 30.581 ( 0.000 0.000 0.000) 0.000 30.581 ( 0.000 0.000 0.000) 0.000 31.595 ( 0.000 0.000 0.000) 0.000 31.595 ( 0.000 0.000 0.000) 0.000 31.778 ( 0.000 0.000 0.000) 0.000 31.778 ( 0.000 0.000 0.000) 0.000 32.401 ( 0.000 0.000 0.000) 0.000 32.401 ( 0.000 0.000 0.000) 0.000 32.445 ( 0.000 -0.000 0.000) 0.000 32.445 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 45 (16/45) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.595 ( 0.000 0.000 32.040) 32.040 0.633 ( 0.000 0.000 32.938) 32.938 1.210 ( 0.000 0.000 59.407) 59.407 1.456 ( 0.000 0.000 13.827) 13.827 1.731 ( 0.000 0.000 4.008) 4.008 1.848 ( 0.000 0.000 0.633) 0.633 1.858 ( 0.000 0.000 -1.380) 1.380 2.130 ( 0.000 0.000 -7.502) 7.502 2.161 ( 0.000 0.000 -5.961) 5.961 2.220 ( 0.000 0.000 -2.731) 2.731 2.281 ( 0.000 0.000 0.320) 0.320 2.326 ( 0.000 0.000 -4.336) 4.336 2.353 ( 0.000 0.000 -0.581) 0.581 2.372 ( 0.000 0.000 -6.222) 6.222 2.506 ( 0.000 0.000 3.527) 3.527 2.660 ( 0.000 0.000 0.235) 0.235 2.721 ( 0.000 0.000 -4.350) 4.350 2.749 ( 0.000 0.000 -7.802) 7.802 2.821 ( 0.000 0.000 -15.317) 15.317 2.830 ( 0.000 0.000 16.020) 16.020 2.879 ( 0.000 0.000 -6.213) 6.213 2.916 ( 0.000 0.000 1.140) 1.140 2.971 ( 0.000 0.000 -4.886) 4.886 3.052 ( 0.000 0.000 1.465) 1.465 3.219 ( 0.000 0.000 -2.745) 2.745 3.227 ( 0.000 0.000 -1.699) 1.699 3.302 ( 0.000 0.000 -5.312) 5.312 3.349 ( 0.000 0.000 9.794) 9.794 3.429 ( 0.000 0.000 2.013) 2.013 3.438 ( 0.000 0.000 -0.325) 0.325 3.627 ( 0.000 0.000 2.484) 2.484 3.672 ( 0.000 0.000 -1.351) 1.351 3.775 ( 0.000 0.000 0.195) 0.195 3.796 ( 0.000 0.000 15.340) 15.340 3.839 ( 0.000 0.000 5.039) 5.039 4.026 ( 0.000 0.000 5.178) 5.178 4.067 ( 0.000 0.000 14.968) 14.968 4.125 ( 0.000 0.000 -6.101) 6.101 4.156 ( 0.000 0.000 -0.105) 0.105 4.234 ( 0.000 0.000 -0.054) 0.054 4.246 ( 0.000 0.000 1.829) 1.829 4.278 ( 0.000 0.000 -5.430) 5.430 4.290 ( 0.000 0.000 -9.673) 9.673 4.431 ( 0.000 0.000 -2.257) 2.257 4.459 ( 0.000 0.000 -1.023) 1.023 4.511 ( 0.000 0.000 7.026) 7.026 4.594 ( 0.000 0.000 -2.604) 2.604 4.743 ( 0.000 0.000 -2.332) 2.332 4.746 ( 0.000 0.000 7.431) 7.431 4.747 ( 0.000 0.000 -6.504) 6.504 4.887 ( 0.000 0.000 1.433) 1.433 4.904 ( 0.000 0.000 -1.053) 1.053 4.951 ( 0.000 0.000 -2.161) 2.161 5.024 ( 0.000 0.000 2.389) 2.389 5.055 ( 0.000 0.000 -2.968) 2.968 5.188 ( 0.000 0.000 4.674) 4.674 5.280 ( 0.000 0.000 -7.824) 7.824 5.332 ( 0.000 0.000 -3.030) 3.030 5.377 ( 0.000 0.000 -5.995) 5.995 5.398 ( 0.000 0.000 -5.289) 5.289 5.400 ( 0.000 0.000 -1.120) 1.120 5.582 ( 0.000 0.000 -0.303) 0.303 5.707 ( 0.000 0.000 -2.920) 2.920 5.722 ( 0.000 0.000 -2.453) 2.453 5.767 ( 0.000 0.000 -3.056) 3.056 5.828 ( 0.000 0.000 -5.363) 5.363 6.048 ( 0.000 0.000 -5.786) 5.786 6.049 ( 0.000 0.000 -9.636) 9.636 6.122 ( 0.000 0.000 8.733) 8.733 6.289 ( 0.000 0.000 6.974) 6.974 6.353 ( 0.000 0.000 6.236) 6.236 6.570 ( 0.000 0.000 -1.081) 1.081 6.641 ( 0.000 0.000 -5.668) 5.668 6.642 ( 0.000 0.000 0.656) 0.656 6.699 ( 0.000 0.000 -1.600) 1.600 6.822 ( 0.000 0.000 -6.039) 6.039 6.824 ( 0.000 0.000 7.508) 7.508 7.009 ( 0.000 0.000 0.425) 0.425 7.187 ( 0.000 0.000 -4.876) 4.876 7.222 ( 0.000 0.000 0.449) 0.449 7.429 ( 0.000 0.000 1.525) 1.525 7.430 ( 0.000 0.000 2.839) 2.839 7.585 ( 0.000 0.000 2.310) 2.310 7.673 ( 0.000 0.000 0.166) 0.166 7.946 ( 0.000 0.000 2.220) 2.220 8.122 ( 0.000 0.000 -3.178) 3.178 8.192 ( 0.000 0.000 -0.455) 0.455 8.393 ( 0.000 0.000 -5.706) 5.706 8.877 ( 0.000 0.000 12.299) 12.299 9.112 ( 0.000 0.000 2.452) 2.452 9.167 ( 0.000 0.000 1.573) 1.573 9.246 ( 0.000 0.000 3.960) 3.960 9.340 ( 0.000 0.000 5.550) 5.550 9.396 ( 0.000 0.000 1.995) 1.995 9.704 ( 0.000 0.000 -5.135) 5.135 9.919 ( 0.000 0.000 -5.401) 5.401 10.086 ( 0.000 0.000 6.275) 6.275 10.346 ( 0.000 0.000 3.054) 3.054 10.493 ( 0.000 0.000 4.381) 4.381 10.565 ( 0.000 0.000 -8.197) 8.197 10.614 ( 0.000 0.000 -3.705) 3.705 10.652 ( 0.000 0.000 2.103) 2.103 10.718 ( 0.000 0.000 3.456) 3.456 10.756 ( 0.000 0.000 -1.202) 1.202 10.788 ( 0.000 0.000 2.713) 2.713 10.803 ( 0.000 0.000 -2.300) 2.300 10.875 ( 0.000 0.000 0.163) 0.163 10.975 ( 0.000 0.000 5.756) 5.756 11.018 ( 0.000 0.000 0.317) 0.317 11.171 ( 0.000 0.000 -0.441) 0.441 11.217 ( 0.000 0.000 -4.385) 4.385 11.392 ( 0.000 0.000 -6.948) 6.948 12.620 ( 0.000 0.000 4.817) 4.817 12.978 ( 0.000 0.000 0.562) 0.562 12.985 ( 0.000 0.000 -4.326) 4.326 13.035 ( 0.000 0.000 -2.538) 2.538 13.679 ( 0.000 0.000 6.261) 6.261 13.751 ( 0.000 0.000 -0.528) 0.528 13.780 ( 0.000 0.000 -2.766) 2.766 13.927 ( 0.000 0.000 1.155) 1.155 13.953 ( 0.000 0.000 4.727) 4.727 14.165 ( 0.000 0.000 -3.439) 3.439 14.214 ( 0.000 0.000 -5.097) 5.097 14.323 ( 0.000 0.000 -11.497) 11.497 14.374 ( 0.000 0.000 3.552) 3.552 14.440 ( 0.000 0.000 5.956) 5.956 14.551 ( 0.000 0.000 -1.419) 1.419 14.693 ( 0.000 0.000 -2.130) 2.130 15.311 ( 0.000 0.000 8.173) 8.173 15.432 ( 0.000 0.000 1.002) 1.002 15.560 ( 0.000 0.000 -2.490) 2.490 15.654 ( 0.000 0.000 -2.008) 2.008 15.770 ( 0.000 0.000 0.323) 0.323 15.774 ( 0.000 0.000 1.103) 1.103 15.779 ( 0.000 0.000 -0.343) 0.343 15.796 ( 0.000 0.000 0.192) 0.192 16.492 ( 0.000 0.000 2.214) 2.214 16.593 ( 0.000 0.000 0.697) 0.697 16.622 ( 0.000 0.000 -0.062) 0.062 16.628 ( 0.000 0.000 -0.111) 0.111 16.638 ( 0.000 0.000 -1.075) 1.075 16.677 ( 0.000 0.000 -0.415) 0.415 16.686 ( 0.000 0.000 -0.609) 0.609 16.698 ( 0.000 0.000 -2.725) 2.725 17.789 ( 0.000 0.000 1.115) 1.115 17.876 ( 0.000 0.000 -0.999) 0.999 17.992 ( 0.000 0.000 -0.604) 0.604 17.998 ( 0.000 0.000 -0.952) 0.952 18.351 ( 0.000 0.000 0.947) 0.947 18.397 ( 0.000 0.000 -0.226) 0.226 18.411 ( 0.000 0.000 2.345) 2.345 18.644 ( 0.000 0.000 -3.981) 3.981 19.657 ( 0.000 0.000 6.166) 6.166 19.810 ( 0.000 0.000 6.893) 6.893 20.206 ( 0.000 0.000 -9.488) 9.488 20.615 ( 0.000 0.000 -18.942) 18.942 21.139 ( 0.000 0.000 15.215) 15.215 21.298 ( 0.000 0.000 16.376) 16.376 21.914 ( 0.000 0.000 -4.819) 4.819 22.070 ( 0.000 0.000 -10.205) 10.205 27.885 ( 0.000 0.000 0.984) 0.984 27.966 ( 0.000 0.000 0.526) 0.526 28.024 ( 0.000 0.000 -2.840) 2.840 28.031 ( 0.000 0.000 -2.049) 2.049 28.305 ( 0.000 0.000 9.336) 9.336 28.454 ( 0.000 0.000 0.203) 0.203 28.583 ( 0.000 0.000 0.346) 0.346 28.653 ( 0.000 0.000 -2.984) 2.984 28.718 ( 0.000 0.000 4.518) 4.518 28.925 ( 0.000 0.000 8.099) 8.099 29.113 ( 0.000 0.000 -2.055) 2.055 29.200 ( 0.000 0.000 3.413) 3.413 29.272 ( 0.000 0.000 -2.913) 2.913 29.366 ( 0.000 0.000 2.282) 2.282 29.482 ( 0.000 0.000 -0.966) 0.966 29.623 ( 0.000 0.000 -2.824) 2.824 29.903 ( 0.000 0.000 -4.751) 4.751 29.906 ( 0.000 0.000 -1.376) 1.376 30.190 ( 0.000 0.000 0.050) 0.050 30.207 ( 0.000 0.000 -0.751) 0.751 30.218 ( 0.000 0.000 -0.599) 0.599 30.226 ( 0.000 0.000 -1.101) 1.101 30.468 ( 0.000 0.000 0.781) 0.781 30.539 ( 0.000 0.000 -1.045) 1.045 31.578 ( 0.000 0.000 2.060) 2.060 31.674 ( 0.000 0.000 2.370) 2.370 31.710 ( 0.000 0.000 -0.954) 0.954 31.867 ( 0.000 0.000 -0.355) 0.355 31.922 ( 0.000 0.000 -3.780) 3.780 31.936 ( 0.000 0.000 -1.720) 1.720 32.457 ( 0.000 0.000 2.425) 2.425 32.640 ( 0.000 0.000 -2.319) 2.319 ======================= Grid point 46 (17/45) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( 18.706 0.000 22.610) 29.345 0.951 ( 24.126 0.000 22.220) 32.799 1.519 ( 2.462 0.000 12.251) 12.496 1.612 ( 27.912 0.000 37.390) 46.659 1.715 ( -11.046 0.000 -0.096) 11.046 1.807 ( 4.804 0.000 6.828) 8.349 1.875 ( 10.744 0.000 1.127) 10.803 2.140 ( -0.575 0.000 -6.157) 6.184 2.148 ( -0.847 0.000 -4.597) 4.674 2.233 ( 0.821 0.000 -1.165) 1.426 2.275 ( -0.684 0.000 0.922) 1.148 2.319 ( -1.988 0.000 -0.866) 2.169 2.336 ( -0.566 0.000 -1.756) 1.845 2.435 ( 4.289 0.000 -6.097) 7.454 2.473 ( 1.731 0.000 2.984) 3.450 2.569 ( -3.392 0.000 2.310) 4.103 2.651 ( -6.067 0.000 -1.102) 6.166 2.738 ( -6.219 0.000 1.331) 6.360 2.763 ( -2.132 0.000 -13.614) 13.780 2.792 ( 1.292 0.000 -6.114) 6.249 2.871 ( -5.084 0.000 0.205) 5.088 2.990 ( 4.534 0.000 -0.189) 4.538 2.993 ( 2.402 0.000 1.862) 3.039 3.081 ( 2.833 0.000 0.426) 2.865 3.191 ( -0.726 0.000 0.791) 1.074 3.191 ( -4.857 0.000 -1.293) 5.026 3.253 ( -7.616 0.000 5.761) 9.549 3.292 ( 0.569 0.000 -4.452) 4.488 3.412 ( -5.308 0.000 1.589) 5.541 3.464 ( 3.828 0.000 0.528) 3.865 3.572 ( -7.280 0.000 1.328) 7.400 3.693 ( -8.220 0.000 4.817) 9.527 3.722 ( 3.339 0.000 1.308) 3.586 3.836 ( 5.064 0.000 9.870) 11.093 3.893 ( 4.205 0.000 5.853) 7.207 3.903 ( -8.477 0.000 2.323) 8.789 4.008 ( -4.592 0.000 5.995) 7.552 4.108 ( -2.980 0.000 -0.489) 3.020 4.167 ( 3.705 0.000 -3.579) 5.151 4.195 ( -4.006 0.000 -1.987) 4.472 4.295 ( 5.061 0.000 -0.970) 5.153 4.360 ( 3.900 0.000 -1.785) 4.289 4.364 ( 5.686 0.000 -6.273) 8.467 4.450 ( 3.612 0.000 -3.115) 4.769 4.479 ( 2.243 0.000 -1.372) 2.629 4.584 ( 2.740 0.000 6.426) 6.986 4.611 ( 1.074 0.000 -3.026) 3.211 4.657 ( -4.536 0.000 -1.080) 4.663 4.738 ( -0.782 0.000 5.392) 5.448 4.762 ( -0.024 0.000 0.535) 0.536 4.888 ( -0.512 0.000 0.040) 0.513 4.907 ( -0.234 0.000 1.786) 1.801 4.967 ( 1.122 0.000 -4.044) 4.197 4.978 ( -0.006 0.000 3.016) 3.016 5.101 ( -3.703 0.000 1.090) 3.860 5.141 ( 2.325 0.000 -5.254) 5.745 5.242 ( -2.036 0.000 -6.593) 6.901 5.253 ( -7.026 0.000 -0.217) 7.029 5.331 ( -3.946 0.000 -1.308) 4.157 5.391 ( -4.106 0.000 -6.733) 7.886 5.471 ( 4.417 0.000 -8.286) 9.389 5.518 ( -7.361 0.000 -2.064) 7.645 5.568 ( 0.086 0.000 -0.568) 0.574 5.743 ( 0.840 0.000 -1.362) 1.601 5.748 ( -2.661 0.000 -4.703) 5.403 5.891 ( 4.290 0.000 -4.248) 6.037 5.928 ( -7.895 0.000 -4.070) 8.882 6.036 ( -2.468 0.000 -5.012) 5.586 6.161 ( 4.201 0.000 9.173) 10.089 6.290 ( -0.285 0.000 6.333) 6.340 6.353 ( 0.759 0.000 7.336) 7.375 6.536 ( -5.646 0.000 6.452) 8.573 6.684 ( -1.376 0.000 -1.477) 2.019 6.712 ( 5.708 0.000 -5.011) 7.596 6.776 ( 8.716 0.000 -3.964) 9.575 6.794 ( -2.529 0.000 -6.495) 6.970 6.903 ( 6.509 0.000 2.689) 7.042 7.055 ( 5.382 0.000 -5.851) 7.950 7.142 ( -4.460 0.000 -2.723) 5.226 7.221 ( -0.407 0.000 -0.999) 1.078 7.396 ( -1.630 0.000 2.186) 2.726 7.463 ( 1.791 0.000 1.403) 2.275 7.514 ( -9.003 0.000 5.215) 10.404 7.560 ( -3.943 0.000 1.499) 4.218 7.895 ( 2.623 0.000 7.937) 8.359 8.128 ( -6.124 0.000 1.431) 6.289 8.259 ( 5.769 0.000 -7.898) 9.781 8.376 ( -1.649 0.000 -5.946) 6.170 8.882 ( 0.829 0.000 12.160) 12.188 9.026 ( -8.464 0.000 12.104) 14.769 9.162 ( 4.712 0.000 1.264) 4.879 9.290 ( 3.872 0.000 3.944) 5.527 9.330 ( -1.902 0.000 0.430) 1.950 9.385 ( -0.958 0.000 4.991) 5.082 9.698 ( -0.605 0.000 -4.493) 4.533 9.718 ( -5.505 0.000 2.377) 5.996 10.126 ( 3.963 0.000 6.717) 7.799 10.304 ( -3.566 0.000 4.014) 5.369 10.490 ( 2.839 0.000 1.329) 3.134 10.612 ( 2.015 0.000 -3.592) 4.119 10.686 ( -0.512 0.000 1.877) 1.946 10.690 ( 1.682 0.000 -3.333) 3.733 10.701 ( -1.198 0.000 -0.428) 1.272 10.778 ( -0.172 0.000 -1.831) 1.839 10.802 ( 1.988 0.000 1.045) 2.245 10.900 ( 2.502 0.000 2.058) 3.240 10.902 ( 4.379 0.000 -8.608) 9.658 10.975 ( 0.134 0.000 1.529) 1.535 11.062 ( 3.389 0.000 -1.921) 3.896 11.193 ( 2.656 0.000 0.897) 2.803 11.194 ( -2.678 0.000 -4.218) 4.996 11.389 ( -3.285 0.000 -4.296) 5.408 12.688 ( 5.285 0.000 5.273) 7.465 12.914 ( -5.307 0.000 1.777) 5.596 13.002 ( 1.681 0.000 -3.434) 3.824 13.050 ( 0.344 0.000 -2.343) 2.368 13.688 ( 1.046 0.000 4.271) 4.398 13.749 ( -1.340 0.000 -1.892) 2.318 13.915 ( 4.394 0.000 -5.146) 6.766 13.926 ( -0.086 0.000 1.908) 1.910 13.966 ( 3.794 0.000 -3.197) 4.961 14.133 ( -3.091 0.000 -5.458) 6.273 14.268 ( 3.918 0.000 -8.906) 9.730 14.326 ( 0.067 0.000 -10.039) 10.039 14.386 ( 1.200 0.000 3.276) 3.489 14.433 ( -0.714 0.000 5.112) 5.162 14.573 ( 2.184 0.000 -1.437) 2.614 14.672 ( -2.036 0.000 -1.826) 2.735 15.321 ( 1.085 0.000 8.073) 8.146 15.392 ( -2.626 0.000 5.517) 6.110 15.589 ( 2.078 0.000 -2.018) 2.897 15.648 ( -0.673 0.000 -1.789) 1.912 15.770 ( 0.109 0.000 0.260) 0.282 15.775 ( 0.038 0.000 0.308) 0.311 15.780 ( 0.131 0.000 -0.460) 0.479 15.791 ( -0.410 0.000 -0.207) 0.460 16.495 ( 0.498 0.000 2.147) 2.204 16.553 ( -2.387 0.000 1.737) 2.952 16.623 ( 0.198 0.000 -0.346) 0.399 16.632 ( 0.038 0.000 -0.207) 0.210 16.644 ( 0.554 0.000 -0.799) 0.972 16.668 ( -0.547 0.000 -0.500) 0.741 16.714 ( 1.567 0.000 -2.997) 3.382 16.746 ( 2.073 0.000 -5.153) 5.554 17.818 ( 3.062 0.000 0.781) 3.160 17.903 ( 2.324 0.000 -1.011) 2.534 17.960 ( -2.870 0.000 -0.422) 2.900 17.989 ( -1.334 0.000 -0.983) 1.657 18.356 ( 0.683 0.000 1.199) 1.380 18.400 ( -1.094 0.000 2.190) 2.448 18.495 ( 6.555 0.000 -6.582) 9.289 18.631 ( -1.399 0.000 -4.494) 4.706 19.678 ( 2.054 0.000 6.202) 6.533 19.785 ( -2.428 0.000 6.673) 7.102 20.219 ( 1.436 0.000 -8.401) 8.523 20.426 ( -12.265 0.000 -4.456) 13.050 21.136 ( -0.257 0.000 15.322) 15.324 21.168 ( -4.501 0.000 20.140) 20.637 22.025 ( 4.519 0.000 -11.557) 12.410 22.071 ( -0.005 0.000 -10.306) 10.306 27.895 ( 1.050 0.000 0.952) 1.417 27.952 ( -1.350 0.000 0.633) 1.491 28.022 ( -0.123 0.000 -2.323) 2.327 28.029 ( -0.252 0.000 -2.036) 2.051 28.307 ( 0.453 0.000 10.585) 10.594 28.466 ( -11.541 0.000 15.893) 19.642 28.480 ( 2.405 0.000 0.227) 2.416 28.581 ( -2.478 0.000 0.630) 2.557 28.723 ( 0.531 0.000 4.321) 4.353 28.763 ( -3.053 0.000 7.996) 8.559 29.146 ( 3.527 0.000 -2.140) 4.126 29.230 ( 2.845 0.000 2.757) 3.962 29.319 ( -1.882 0.000 -0.919) 2.094 29.375 ( -3.487 0.000 -1.368) 3.745 29.529 ( 6.182 0.000 -9.788) 11.577 29.634 ( 0.674 0.000 -5.000) 5.045 29.889 ( 0.810 0.000 -2.124) 2.273 29.949 ( 3.012 0.000 -1.433) 3.335 30.109 ( -10.170 0.000 5.550) 11.586 30.177 ( -6.061 0.000 -0.401) 6.075 30.206 ( 0.071 0.000 -0.358) 0.364 30.238 ( -5.297 0.000 5.606) 7.713 30.240 ( 1.362 0.000 -1.031) 1.708 30.372 ( -7.515 0.000 0.187) 7.517 31.629 ( 4.302 0.000 2.880) 5.177 31.673 ( -0.197 0.000 2.250) 2.258 31.723 ( 2.225 0.000 0.169) 2.232 31.890 ( -3.251 0.000 -3.027) 4.442 31.917 ( 10.982 0.000 2.217) 11.204 32.374 ( -8.239 0.000 2.865) 8.723 32.450 ( 18.797 0.000 -21.582) 28.620 32.649 ( 0.281 0.000 -4.370) 4.379 ======================= Grid point 47 (18/45) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( -15.645 0.000 11.083) 19.173 1.220 ( 15.645 0.000 11.083) 19.173 1.405 ( -14.158 0.000 12.867) 19.132 1.405 ( 14.158 0.000 12.867) 19.132 1.944 ( -5.595 0.000 1.351) 5.756 1.944 ( 5.595 0.000 1.351) 5.756 2.111 ( -5.847 0.000 1.061) 5.942 2.111 ( 5.847 0.000 1.061) 5.942 2.213 ( -4.413 0.000 0.749) 4.476 2.213 ( 4.413 0.000 0.749) 4.476 2.277 ( -3.495 0.000 2.323) 4.197 2.277 ( 3.495 0.000 2.323) 4.197 2.410 ( -12.571 0.000 11.799) 17.241 2.410 ( 12.571 0.000 11.799) 17.241 2.521 ( -0.494 0.000 -2.498) 2.547 2.521 ( 0.494 0.000 -2.498) 2.547 2.647 ( -2.815 0.000 -5.594) 6.262 2.647 ( 2.815 0.000 -5.594) 6.262 2.735 ( -2.036 0.000 -7.048) 7.336 2.735 ( 2.036 0.000 -7.048) 7.336 2.927 ( -12.655 0.000 2.241) 12.852 2.927 ( 12.655 0.000 2.241) 12.852 3.048 ( -2.293 0.000 0.706) 2.400 3.048 ( 2.293 0.000 0.706) 2.400 3.151 ( -4.044 0.000 1.913) 4.473 3.151 ( 4.044 0.000 1.913) 4.473 3.248 ( -7.144 0.000 2.728) 7.647 3.248 ( 7.144 0.000 2.728) 7.647 3.387 ( -7.756 0.000 -4.354) 8.895 3.387 ( 7.756 0.000 -4.354) 8.895 3.549 ( -4.378 0.000 1.648) 4.678 3.549 ( 4.378 0.000 1.648) 4.678 3.794 ( -1.626 0.000 3.721) 4.061 3.794 ( 1.626 0.000 3.721) 4.061 3.921 ( -3.446 0.000 1.738) 3.860 3.921 ( 3.446 0.000 1.738) 3.860 3.995 ( -3.355 0.000 5.694) 6.609 3.995 ( 3.355 0.000 5.694) 6.609 4.218 ( -0.093 0.000 -5.141) 5.142 4.218 ( 0.093 0.000 -5.141) 5.142 4.380 ( -1.457 0.000 2.022) 2.492 4.380 ( 1.457 0.000 2.022) 2.492 4.442 ( -5.308 0.000 -3.330) 6.266 4.442 ( 5.308 0.000 -3.330) 6.266 4.550 ( -0.144 0.000 -1.135) 1.144 4.550 ( 0.144 0.000 -1.135) 1.144 4.606 ( -0.759 0.000 -0.525) 0.923 4.606 ( 0.759 0.000 -0.525) 0.923 4.762 ( -0.804 0.000 3.882) 3.964 4.762 ( 0.804 0.000 3.882) 3.964 4.901 ( -0.005 0.000 3.127) 3.127 4.901 ( 0.005 0.000 3.127) 3.127 5.003 ( -3.424 0.000 -0.301) 3.438 5.003 ( 3.424 0.000 -0.301) 3.438 5.063 ( -0.098 0.000 -1.726) 1.729 5.063 ( 0.098 0.000 -1.726) 1.729 5.232 ( -0.009 0.000 -8.482) 8.482 5.232 ( 0.009 0.000 -8.482) 8.482 5.286 ( -1.177 0.000 -2.126) 2.430 5.286 ( 1.177 0.000 -2.126) 2.430 5.481 ( -0.130 0.000 -6.097) 6.098 5.481 ( 0.130 0.000 -6.097) 6.098 5.644 ( -6.627 0.000 -4.670) 8.107 5.644 ( 6.627 0.000 -4.670) 8.107 5.811 ( -4.504 0.000 -2.556) 5.179 5.811 ( 4.504 0.000 -2.556) 5.179 5.969 ( -0.980 0.000 -3.333) 3.474 5.969 ( 0.980 0.000 -3.333) 3.474 6.254 ( -3.934 0.000 7.106) 8.122 6.254 ( 3.934 0.000 7.106) 8.122 6.407 ( -3.073 0.000 11.541) 11.943 6.407 ( 3.073 0.000 11.541) 11.943 6.713 ( -1.180 0.000 -6.455) 6.561 6.713 ( 1.180 0.000 -6.455) 6.561 6.828 ( -2.238 0.000 -4.357) 4.898 6.828 ( 2.238 0.000 -4.357) 4.898 7.025 ( -7.091 0.000 -0.480) 7.107 7.025 ( 7.091 0.000 -0.480) 7.107 7.178 ( -1.295 0.000 -4.258) 4.450 7.178 ( 1.295 0.000 -4.258) 4.450 7.397 ( -1.560 0.000 3.652) 3.971 7.397 ( 1.560 0.000 3.652) 3.971 7.502 ( -1.829 0.000 0.864) 2.023 7.502 ( 1.829 0.000 0.864) 2.023 7.995 ( -6.968 0.000 5.165) 8.674 7.995 ( 6.968 0.000 5.165) 8.674 8.334 ( -2.315 0.000 -6.658) 7.049 8.334 ( 2.315 0.000 -6.658) 7.049 8.919 ( -2.196 0.000 12.514) 12.705 8.919 ( 2.196 0.000 12.514) 12.705 9.260 ( -4.757 0.000 -0.820) 4.828 9.260 ( 4.757 0.000 -0.820) 4.828 9.356 ( -0.731 0.000 4.776) 4.832 9.356 ( 0.731 0.000 4.776) 4.832 9.686 ( -0.016 0.000 -2.322) 2.322 9.686 ( 0.016 0.000 -2.322) 2.322 10.218 ( -5.166 0.000 6.167) 8.045 10.218 ( 5.166 0.000 6.167) 8.045 10.571 ( -5.016 0.000 0.147) 5.018 10.571 ( 5.016 0.000 0.147) 5.018 10.666 ( -0.577 0.000 0.164) 0.600 10.666 ( 0.577 0.000 0.164) 0.600 10.762 ( -1.446 0.000 -0.988) 1.751 10.762 ( 1.446 0.000 -0.988) 1.751 10.887 ( -1.030 0.000 -3.095) 3.262 10.887 ( 1.030 0.000 -3.095) 3.262 10.956 ( -0.460 0.000 -2.152) 2.201 10.956 ( 0.460 0.000 -2.152) 2.201 11.126 ( -1.890 0.000 -3.229) 3.741 11.126 ( 1.890 0.000 -3.229) 3.741 11.280 ( -0.895 0.000 1.428) 1.686 11.280 ( 0.895 0.000 1.428) 1.686 12.800 ( -4.320 0.000 4.406) 6.170 12.800 ( 4.320 0.000 4.406) 6.170 13.037 ( -0.429 0.000 -2.557) 2.593 13.037 ( 0.429 0.000 -2.557) 2.593 13.717 ( -0.485 0.000 0.456) 0.666 13.717 ( 0.485 0.000 0.456) 0.666 13.927 ( -0.010 0.000 3.060) 3.060 13.927 ( 0.010 0.000 3.060) 3.060 14.061 ( -2.688 0.000 -8.860) 9.259 14.061 ( 2.688 0.000 -8.860) 9.259 14.317 ( -0.173 0.000 -9.396) 9.397 14.317 ( 0.173 0.000 -9.396) 9.397 14.412 ( -0.513 0.000 3.693) 3.728 14.412 ( 0.513 0.000 3.693) 3.728 14.624 ( -2.883 0.000 -1.545) 3.271 14.624 ( 2.883 0.000 -1.545) 3.271 15.350 ( -0.804 0.000 7.555) 7.598 15.350 ( 0.804 0.000 7.555) 7.598 15.626 ( -0.475 0.000 -1.509) 1.582 15.626 ( 0.475 0.000 -1.509) 1.582 15.774 ( -0.036 0.000 0.236) 0.239 15.774 ( 0.036 0.000 0.236) 0.239 15.784 ( -0.038 0.000 -0.643) 0.644 15.784 ( 0.038 0.000 -0.643) 0.644 16.515 ( -1.588 0.000 1.949) 2.514 16.515 ( 1.588 0.000 1.949) 2.514 16.629 ( -0.062 0.000 -0.462) 0.466 16.629 ( 0.062 0.000 -0.462) 0.466 16.656 ( -0.290 0.000 -0.566) 0.636 16.656 ( 0.290 0.000 -0.566) 0.636 16.746 ( -0.759 0.000 -4.029) 4.099 16.746 ( 0.759 0.000 -4.029) 4.099 17.891 ( -3.139 0.000 0.079) 3.140 17.891 ( 3.139 0.000 0.079) 3.140 17.951 ( -1.074 0.000 -0.973) 1.449 17.951 ( 1.074 0.000 -0.973) 1.449 18.376 ( -0.301 0.000 1.729) 1.755 18.376 ( 0.301 0.000 1.729) 1.755 18.587 ( -1.615 0.000 -6.067) 6.278 18.587 ( 1.615 0.000 -6.067) 6.278 19.729 ( -2.988 0.000 6.363) 7.030 19.729 ( 2.988 0.000 6.363) 7.030 20.272 ( -4.293 0.000 -5.150) 6.705 20.272 ( 4.293 0.000 -5.150) 6.705 21.134 ( -0.004 0.000 16.225) 16.225 21.134 ( 0.004 0.000 16.225) 16.225 22.066 ( -0.059 0.000 -10.752) 10.752 22.066 ( 0.059 0.000 -10.752) 10.752 27.922 ( -1.313 0.000 0.832) 1.554 27.922 ( 1.313 0.000 0.832) 1.554 28.023 ( -0.033 0.000 -2.021) 2.022 28.023 ( 0.033 0.000 -2.021) 2.022 28.336 ( -2.981 0.000 14.295) 14.602 28.336 ( 2.981 0.000 14.295) 14.602 28.532 ( -2.775 0.000 0.294) 2.791 28.532 ( 2.775 0.000 0.294) 2.791 28.736 ( -0.577 0.000 4.337) 4.376 28.736 ( 0.577 0.000 4.337) 4.376 29.240 ( -5.418 0.000 -1.984) 5.770 29.240 ( 5.418 0.000 -1.984) 5.770 29.294 ( -2.840 0.000 1.496) 3.209 29.294 ( 2.840 0.000 1.496) 3.209 29.619 ( -0.993 0.000 -9.952) 10.002 29.619 ( 0.993 0.000 -9.952) 10.002 29.955 ( -4.134 0.000 2.869) 5.032 29.955 ( 4.134 0.000 2.869) 5.032 30.033 ( -6.127 0.000 -0.184) 6.130 30.033 ( 6.127 0.000 -0.184) 6.130 30.211 ( -0.024 0.000 0.757) 0.758 30.211 ( 0.024 0.000 0.757) 0.758 30.279 ( -2.739 0.000 -0.699) 2.826 30.279 ( 2.739 0.000 -0.699) 2.826 31.666 ( -0.083 0.000 2.058) 2.059 31.666 ( 0.083 0.000 2.058) 2.059 31.807 ( -5.185 0.000 -1.171) 5.316 31.807 ( 5.185 0.000 -1.171) 5.316 32.165 ( -11.687 0.000 3.158) 12.106 32.165 ( 11.687 0.000 3.158) 12.106 32.627 ( -0.979 0.000 -10.583) 10.628 32.627 ( 0.979 0.000 -10.583) 10.628 ======================= Grid point 50 (19/45) ======================= q-point: ( 0.00 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( 0.000 18.280 21.316) 28.081 0.939 ( 0.000 22.963 23.939) 33.172 1.495 ( 0.000 15.129 18.975) 24.268 1.556 ( 0.000 13.973 20.502) 24.811 1.910 ( 0.000 14.914 13.816) 20.330 1.911 ( 0.000 12.150 3.141) 12.549 1.991 ( 0.000 3.825 6.958) 7.940 2.152 ( 0.000 -7.036 -7.671) 10.409 2.166 ( 0.000 1.381 -5.477) 5.648 2.228 ( 0.000 4.152 -4.952) 6.463 2.304 ( 0.000 2.825 -2.859) 4.019 2.316 ( 0.000 7.841 -5.771) 9.736 2.398 ( 0.000 4.969 -1.281) 5.131 2.404 ( 0.000 1.167 -2.275) 2.557 2.578 ( 0.000 -0.035 -3.133) 3.134 2.623 ( 0.000 -0.543 6.849) 6.870 2.645 ( 0.000 4.499 -4.942) 6.683 2.760 ( 0.000 -0.834 -0.198) 0.857 2.784 ( 0.000 -1.706 -11.245) 11.374 2.858 ( 0.000 -2.217 7.346) 7.673 2.884 ( 0.000 -2.829 4.001) 4.900 2.936 ( 0.000 1.029 0.284) 1.067 3.006 ( 0.000 5.391 -5.330) 7.581 3.073 ( 0.000 2.118 1.188) 2.428 3.137 ( 0.000 -2.473 -2.662) 3.634 3.257 ( 0.000 0.650 -0.198) 0.680 3.303 ( 0.000 -0.624 -3.838) 3.889 3.318 ( 0.000 -0.754 4.481) 4.544 3.423 ( 0.000 -2.558 -5.704) 6.252 3.490 ( 0.000 5.768 2.376) 6.238 3.540 ( 0.000 -5.287 3.906) 6.574 3.608 ( 0.000 -5.968 6.270) 8.656 3.697 ( 0.000 -2.583 3.043) 3.992 3.762 ( 0.000 -1.418 4.148) 4.384 3.893 ( 0.000 4.862 11.937) 12.889 3.958 ( 0.000 -2.291 -2.893) 3.690 4.121 ( 0.000 0.573 2.528) 2.592 4.141 ( 0.000 -5.270 -3.758) 6.473 4.206 ( 0.000 1.167 -2.363) 2.636 4.253 ( 0.000 2.189 1.774) 2.818 4.258 ( 0.000 5.795 3.946) 7.011 4.330 ( 0.000 1.475 0.762) 1.660 4.355 ( 0.000 -3.235 0.439) 3.264 4.404 ( 0.000 4.235 -4.132) 5.917 4.517 ( 0.000 5.172 -2.125) 5.591 4.549 ( 0.000 11.010 -8.011) 13.616 4.608 ( 0.000 1.723 2.009) 2.647 4.674 ( 0.000 -7.319 -4.700) 8.698 4.759 ( 0.000 -0.356 -0.684) 0.771 4.843 ( 0.000 -3.573 2.041) 4.115 4.858 ( 0.000 4.328 4.157) 6.001 4.902 ( 0.000 -4.790 0.465) 4.813 4.903 ( 0.000 6.803 0.404) 6.815 5.036 ( 0.000 -2.383 -3.021) 3.848 5.076 ( 0.000 5.395 -2.986) 6.166 5.199 ( 0.000 -4.019 -0.632) 4.068 5.260 ( 0.000 1.206 0.393) 1.269 5.269 ( 0.000 -1.986 -4.157) 4.607 5.385 ( 0.000 3.140 -9.581) 10.083 5.432 ( 0.000 1.921 1.528) 2.455 5.446 ( 0.000 0.140 -1.011) 1.021 5.555 ( 0.000 -1.735 -5.826) 6.079 5.593 ( 0.000 -0.196 8.351) 8.353 5.694 ( 0.000 -8.308 -6.728) 10.691 5.794 ( 0.000 -5.536 -1.677) 5.784 5.811 ( 0.000 6.255 -2.670) 6.801 5.973 ( 0.000 1.062 -5.485) 5.587 6.140 ( 0.000 5.121 -1.885) 5.457 6.217 ( 0.000 0.732 3.953) 4.020 6.354 ( 0.000 5.474 4.511) 7.093 6.424 ( 0.000 5.358 4.476) 6.982 6.501 ( 0.000 -6.350 -1.808) 6.602 6.573 ( 0.000 -8.166 -6.267) 10.293 6.650 ( 0.000 -1.596 -5.074) 5.319 6.658 ( 0.000 1.535 -0.216) 1.550 6.791 ( 0.000 -1.575 3.387) 3.735 6.835 ( 0.000 -0.643 -0.029) 0.643 6.935 ( 0.000 -2.773 3.347) 4.347 7.262 ( 0.000 6.216 -0.770) 6.264 7.272 ( 0.000 2.307 0.233) 2.319 7.455 ( 0.000 3.091 2.891) 4.232 7.461 ( 0.000 3.241 4.207) 5.310 7.637 ( 0.000 4.271 2.410) 4.904 7.662 ( 0.000 -0.761 -0.773) 1.085 7.826 ( 0.000 -5.964 2.043) 6.304 8.079 ( 0.000 -3.712 -3.585) 5.160 8.219 ( 0.000 1.798 1.067) 2.091 8.425 ( 0.000 2.608 -5.040) 5.675 8.882 ( 0.000 0.501 10.409) 10.421 9.007 ( 0.000 -6.611 8.643) 10.882 9.106 ( 0.000 -1.535 2.764) 3.162 9.214 ( 0.000 -2.518 2.144) 3.307 9.322 ( 0.000 -2.246 0.458) 2.292 9.421 ( 0.000 2.472 5.558) 6.083 9.609 ( 0.000 -8.162 -2.497) 8.535 9.738 ( 0.000 -7.214 -0.088) 7.214 10.035 ( 0.000 -5.482 4.524) 7.108 10.314 ( 0.000 -5.826 1.854) 6.114 10.419 ( 0.000 -10.475 -2.547) 10.781 10.487 ( 0.000 1.539 1.868) 2.420 10.507 ( 0.000 -6.281 -0.111) 6.282 10.677 ( 0.000 0.813 -0.569) 0.992 10.748 ( 0.000 2.514 -0.144) 2.519 10.760 ( 0.000 0.394 -0.448) 0.596 10.783 ( 0.000 0.061 2.168) 2.169 10.856 ( 0.000 -2.187 1.170) 2.481 10.912 ( 0.000 5.698 2.732) 6.319 10.968 ( 0.000 0.398 3.010) 3.036 11.019 ( 0.000 0.084 2.602) 2.604 11.199 ( 0.000 4.673 -6.698) 8.167 11.241 ( 0.000 4.575 -6.356) 7.831 11.706 ( 0.000 1.941 -14.740) 14.868 12.622 ( 0.000 0.430 4.009) 4.032 12.915 ( 0.000 -4.191 -5.643) 7.029 12.963 ( 0.000 -1.202 0.751) 1.418 13.039 ( 0.000 -1.134 -0.989) 1.505 13.766 ( 0.000 1.571 -0.570) 1.671 13.767 ( 0.000 3.868 0.821) 3.955 13.846 ( 0.000 5.696 -1.103) 5.801 13.953 ( 0.000 2.599 1.552) 3.027 13.972 ( 0.000 2.426 4.145) 4.802 14.196 ( 0.000 -2.354 -4.831) 5.374 14.208 ( 0.000 3.179 -3.530) 4.751 14.291 ( 0.000 -1.944 -6.610) 6.890 14.426 ( 0.000 3.353 -1.390) 3.630 14.444 ( 0.000 -0.527 2.883) 2.930 14.549 ( 0.000 0.272 -0.998) 1.034 14.669 ( 0.000 -2.229 -1.893) 2.924 15.296 ( 0.000 -1.322 6.996) 7.119 15.372 ( 0.000 -3.865 4.892) 6.234 15.566 ( 0.000 0.481 -2.589) 2.633 15.640 ( 0.000 -1.611 -3.441) 3.800 15.739 ( 0.000 -1.261 1.506) 1.964 15.743 ( 0.000 -1.832 1.206) 2.193 15.814 ( 0.000 2.245 0.127) 2.249 15.844 ( 0.000 2.744 -0.339) 2.765 16.491 ( 0.000 0.005 1.932) 1.932 16.554 ( 0.000 -1.731 0.477) 1.795 16.606 ( 0.000 -0.898 -1.039) 1.374 16.631 ( 0.000 -2.398 -1.090) 2.634 16.640 ( 0.000 0.516 0.729) 0.893 16.683 ( 0.000 1.170 -3.208) 3.415 16.684 ( 0.000 -0.130 -0.308) 0.334 16.750 ( 0.000 2.781 -2.040) 3.449 17.804 ( 0.000 1.516 0.559) 1.616 17.881 ( 0.000 0.642 -1.215) 1.374 18.033 ( 0.000 3.231 -0.670) 3.300 18.116 ( 0.000 7.560 -6.425) 9.921 18.347 ( 0.000 1.059 -1.271) 1.655 18.396 ( 0.000 0.148 -0.850) 0.862 18.452 ( 0.000 2.951 3.883) 4.877 18.659 ( 0.000 1.373 -2.892) 3.202 19.687 ( 0.000 2.992 6.179) 6.865 19.826 ( 0.000 1.779 6.718) 6.950 20.266 ( 0.000 4.429 -9.685) 10.650 20.446 ( 0.000 -12.986 -4.262) 13.667 20.999 ( 0.000 -5.513 8.295) 9.960 21.365 ( 0.000 4.009 19.084) 19.501 21.837 ( 0.000 -7.514 -8.478) 11.329 22.039 ( 0.000 -3.417 -6.171) 7.054 27.896 ( 0.000 1.012 0.251) 1.043 27.961 ( 0.000 -0.050 -1.020) 1.021 28.028 ( 0.000 -0.284 -2.209) 2.227 28.034 ( 0.000 0.330 -2.993) 3.011 28.301 ( 0.000 -0.399 8.856) 8.865 28.405 ( 0.000 -7.597 7.161) 10.439 28.518 ( 0.000 -6.547 6.051) 8.915 28.572 ( 0.000 -1.431 0.004) 1.431 28.710 ( 0.000 -0.714 4.062) 4.124 28.741 ( 0.000 -3.917 5.678) 6.898 29.049 ( 0.000 -7.920 -1.961) 8.159 29.081 ( 0.000 -10.693 -1.282) 10.770 29.270 ( 0.000 -0.584 1.674) 1.773 29.396 ( 0.000 4.340 1.763) 4.684 29.423 ( 0.000 -1.444 -2.055) 2.511 29.706 ( 0.000 0.824 -5.713) 5.773 29.814 ( 0.000 -6.826 -0.111) 6.827 29.900 ( 0.000 0.103 -3.240) 3.242 30.151 ( 0.000 -1.786 3.633) 4.048 30.262 ( 0.000 5.140 0.049) 5.141 30.269 ( 0.000 5.193 2.385) 5.715 30.376 ( 0.000 9.864 -2.444) 10.162 30.480 ( 0.000 0.824 0.625) 1.034 30.544 ( 0.000 0.526 -1.046) 1.171 31.497 ( 0.000 -4.032 5.098) 6.500 31.549 ( 0.000 -3.129 1.316) 3.394 31.834 ( 0.000 3.687 0.775) 3.768 31.888 ( 0.000 -1.977 -0.332) 2.005 31.996 ( 0.000 4.830 -3.547) 5.993 32.126 ( 0.000 12.637 -16.673) 20.921 32.461 ( 0.000 0.646 2.125) 2.221 32.646 ( 0.000 -1.702 -1.556) 2.305 ======================= Grid point 51 (20/45) ======================= q-point: ( 0.25 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( 20.714 16.881 16.445) 31.376 1.131 ( 18.430 19.098 17.070) 31.556 1.665 ( 6.255 11.448 9.775) 16.302 1.741 ( 9.049 7.828 9.315) 15.164 1.868 ( 5.417 14.705 16.639) 22.857 1.946 ( 1.854 7.922 10.526) 13.304 2.007 ( 7.203 13.817 4.075) 16.106 2.144 ( -1.445 1.384 -5.819) 6.153 2.172 ( 1.282 -2.531 -4.349) 5.192 2.231 ( -1.290 2.246 -3.523) 4.373 2.269 ( 0.250 -0.558 -0.089) 0.618 2.323 ( 1.098 3.925 -0.927) 4.180 2.388 ( -0.128 3.157 -2.196) 3.848 2.461 ( 0.851 4.172 -4.890) 6.484 2.504 ( -4.285 3.750 -1.281) 5.836 2.555 ( -3.876 0.163 -0.260) 3.889 2.628 ( -0.767 0.934 -1.168) 1.681 2.723 ( -1.804 -2.163 -5.324) 6.024 2.739 ( -3.140 2.017 1.546) 4.039 2.846 ( -1.992 -1.127 1.919) 2.987 2.895 ( 0.407 2.219 1.973) 2.997 2.960 ( 1.257 -0.637 -2.188) 2.602 3.021 ( 2.013 0.968 1.118) 2.498 3.091 ( 0.941 0.190 1.192) 1.530 3.138 ( 0.308 0.841 -1.123) 1.437 3.220 ( -3.908 -0.879 -0.300) 4.017 3.250 ( -3.454 1.264 1.397) 3.934 3.312 ( 0.484 1.503 -2.171) 2.684 3.417 ( -5.400 1.604 -1.857) 5.932 3.493 ( 0.191 0.566 2.341) 2.416 3.534 ( -1.370 -5.998 0.456) 6.169 3.631 ( -3.066 -4.347 6.609) 8.483 3.668 ( 4.063 -1.352 4.911) 6.515 3.819 ( -3.095 0.245 12.434) 12.816 3.857 ( -1.602 4.108 0.778) 4.478 3.998 ( -0.013 1.929 0.334) 1.958 4.027 ( 2.028 -1.705 -6.578) 7.092 4.088 ( -3.635 1.648 -1.190) 4.164 4.194 ( -4.405 3.453 5.244) 7.669 4.246 ( -2.979 0.767 0.786) 3.175 4.285 ( 4.777 -3.031 -3.103) 6.453 4.335 ( 1.706 0.453 -2.027) 2.688 4.403 ( 3.493 -2.482 -0.272) 4.294 4.434 ( 2.263 0.884 -1.036) 2.641 4.461 ( 1.737 2.528 -3.417) 4.592 4.587 ( -3.059 1.656 -1.383) 3.743 4.627 ( 0.539 -1.681 -2.165) 2.794 4.677 ( 0.302 -0.446 1.832) 1.909 4.730 ( -1.273 1.804 -0.913) 2.389 4.783 ( -1.999 0.642 1.314) 2.476 4.851 ( -1.735 -1.658 0.320) 2.421 4.904 ( 1.575 3.009 2.436) 4.179 4.962 ( 2.015 2.887 2.168) 4.134 5.050 ( 0.457 -2.841 -1.833) 3.412 5.092 ( -0.043 1.448 -3.159) 3.476 5.152 ( -2.927 3.023 -3.302) 5.349 5.195 ( -4.661 -3.486 -0.311) 5.829 5.283 ( -0.186 1.115 -6.491) 6.589 5.348 ( -1.956 1.774 -3.552) 4.426 5.385 ( -3.520 1.318 -3.861) 5.388 5.452 ( 1.059 0.699 -5.080) 5.236 5.539 ( -1.161 0.758 1.762) 2.242 5.574 ( -0.267 -0.102 -3.668) 3.679 5.708 ( -0.196 -6.755 -4.376) 8.051 5.785 ( -3.890 4.688 -4.697) 7.692 5.826 ( 2.805 0.205 -1.896) 3.391 5.929 ( -2.171 -0.037 -4.032) 4.579 6.125 ( -1.081 4.407 0.438) 4.559 6.214 ( 1.142 2.761 6.866) 7.488 6.323 ( -1.271 3.797 2.708) 4.834 6.388 ( -2.195 2.858 8.577) 9.303 6.512 ( -1.165 -2.719 2.234) 3.707 6.591 ( -0.755 -7.263 -3.826) 8.244 6.678 ( 3.338 -2.510 -2.696) 4.971 6.764 ( 2.929 -3.581 -4.602) 6.525 6.812 ( 1.863 0.548 -0.869) 2.128 6.841 ( 5.190 -5.407 0.870) 7.545 6.970 ( 3.549 -1.641 -0.148) 3.913 7.203 ( -4.700 4.818 -3.843) 7.751 7.295 ( 1.483 4.192 1.653) 4.744 7.415 ( -2.486 1.847 3.830) 4.926 7.479 ( -0.252 3.846 2.498) 4.593 7.550 ( -3.806 2.194 1.528) 4.651 7.638 ( -3.813 6.761 -1.683) 7.943 7.861 ( 5.713 -2.401 6.295) 8.834 8.139 ( -4.722 0.706 1.177) 4.917 8.204 ( 5.700 -3.944 -4.717) 8.384 8.401 ( -2.645 1.723 -5.299) 6.168 8.878 ( -0.149 -0.440 9.768) 9.779 8.976 ( -2.521 -2.388 10.582) 11.137 9.145 ( 3.924 -1.839 1.027) 4.453 9.246 ( 2.454 -3.301 1.626) 4.423 9.308 ( -1.657 -2.096 -0.532) 2.725 9.429 ( 0.785 3.513 5.992) 6.990 9.602 ( -0.436 -7.201 -3.005) 7.815 9.702 ( -2.060 -3.290 -0.520) 3.916 10.077 ( 4.187 -5.163 4.701) 8.142 10.281 ( -3.739 -2.666 2.803) 5.380 10.435 ( 2.789 -14.346 -4.412) 15.266 10.511 ( 3.097 1.754 0.564) 3.603 10.573 ( 3.174 -12.574 0.563) 12.980 10.688 ( 0.703 -0.751 -2.011) 2.259 10.694 ( -4.481 0.965 -0.481) 4.609 10.735 ( -2.056 0.524 -2.154) 3.023 10.793 ( 1.131 1.346 3.748) 4.140 10.878 ( 1.453 -2.620 3.469) 4.584 10.896 ( -1.225 2.967 4.302) 5.367 10.961 ( -0.609 -0.134 4.733) 4.774 11.064 ( 3.957 -0.864 -0.189) 4.054 11.192 ( -1.567 0.322 -3.795) 4.118 11.254 ( 1.687 9.720 -10.648) 14.516 11.675 ( -3.016 5.826 -8.021) 10.362 12.674 ( 4.353 -0.956 3.868) 5.901 12.883 ( -2.530 -3.311 0.787) 4.241 12.966 ( -0.190 -1.702 -2.894) 3.363 13.053 ( 0.761 -0.261 -0.646) 1.032 13.722 ( -0.573 4.421 0.308) 4.468 13.821 ( -0.496 4.366 0.771) 4.461 13.887 ( 4.513 -1.807 -5.930) 7.668 13.941 ( -0.711 1.839 1.201) 2.309 13.985 ( 1.346 2.342 3.840) 4.696 14.150 ( -3.485 -0.132 -5.315) 6.357 14.214 ( 0.106 -1.902 -4.658) 5.033 14.316 ( 1.719 -1.049 -5.114) 5.497 14.419 ( -0.212 1.507 0.846) 1.741 14.450 ( 0.020 0.718 1.345) 1.524 14.566 ( 1.757 -0.303 -1.360) 2.243 14.650 ( -1.785 -1.976 -1.743) 3.182 15.296 ( -0.038 -2.251 6.354) 6.741 15.365 ( -0.384 -1.944 6.372) 6.673 15.571 ( 0.241 -1.361 -3.095) 3.390 15.652 ( 0.986 -0.255 -2.176) 2.402 15.740 ( 0.060 -1.529 1.830) 2.385 15.744 ( -0.008 -1.451 0.758) 1.637 15.812 ( -0.195 1.942 -0.583) 2.037 15.838 ( -0.406 2.782 -0.461) 2.849 16.494 ( 0.410 -0.087 1.871) 1.917 16.538 ( -1.432 -1.074 1.047) 2.074 16.603 ( -0.130 -1.570 -1.238) 2.004 16.629 ( -0.166 -1.298 -0.806) 1.537 16.638 ( -0.149 -0.397 -0.250) 0.492 16.660 ( -0.161 0.332 0.658) 0.754 16.738 ( 1.952 1.021 -4.161) 4.708 16.775 ( 1.958 2.298 -3.142) 4.358 17.831 ( 2.684 1.355 0.087) 3.008 17.901 ( 1.840 0.525 -1.497) 2.430 18.002 ( -3.130 3.283 -0.508) 4.565 18.065 ( -3.153 5.790 -1.642) 6.794 18.346 ( 0.139 0.128 -0.615) 0.644 18.444 ( -0.320 3.299 3.578) 4.877 18.485 ( 5.420 -0.388 -5.748) 7.910 18.653 ( -0.612 1.696 -3.046) 3.540 19.705 ( 1.797 2.743 6.097) 6.923 19.805 ( -2.124 2.070 6.607) 7.242 20.260 ( -0.766 2.754 -9.279) 9.709 20.351 ( -6.214 -6.090 -0.242) 8.704 20.998 ( -0.070 -5.031 7.855) 9.328 21.321 ( -2.373 7.200 18.909) 20.372 21.889 ( 2.832 -10.496 -12.082) 16.253 22.053 ( 1.077 -3.614 -5.717) 6.849 27.904 ( 0.806 0.788 -0.019) 1.127 27.954 ( -0.748 0.328 -0.806) 1.148 28.016 ( -0.778 -0.452 -2.595) 2.747 28.040 ( 0.258 0.591 -2.050) 2.150 28.299 ( -0.011 -0.882 9.829) 9.869 28.372 ( -3.505 -6.015 13.324) 15.033 28.493 ( 0.494 -0.270 1.421) 1.528 28.566 ( -1.245 -1.487 -0.007) 1.940 28.712 ( 0.214 -1.120 3.822) 3.988 28.733 ( -0.433 -1.945 4.233) 4.679 29.059 ( 1.641 -8.424 -2.074) 8.830 29.126 ( 1.636 -14.528 -2.603) 14.849 29.269 ( 0.691 1.247 1.603) 2.145 29.382 ( -1.260 4.299 2.282) 5.027 29.467 ( 3.700 -3.199 -4.874) 6.905 29.684 ( -2.240 0.390 -5.672) 6.111 29.834 ( 2.529 -4.908 0.663) 5.561 29.925 ( 2.483 -0.681 -1.399) 2.931 30.077 ( -7.521 -0.668 5.626) 9.416 30.196 ( -6.409 1.507 0.092) 6.584 30.251 ( -2.322 4.691 0.543) 5.263 30.345 ( -5.183 7.056 -0.009) 8.755 30.380 ( -2.906 7.779 -1.168) 8.385 30.435 ( -3.002 6.327 -0.487) 7.020 31.600 ( 7.400 -1.186 2.907) 8.039 31.692 ( 8.893 -0.640 0.696) 8.943 31.821 ( -4.171 3.751 1.216) 5.739 31.901 ( 3.235 2.877 -0.401) 4.347 31.956 ( 1.621 4.954 -2.054) 5.603 32.307 ( 6.430 -5.335 -11.443) 14.168 32.402 ( -2.722 -0.132 -1.712) 3.218 32.643 ( -0.441 -3.072 -3.204) 4.461 ======================= Grid point 52 (21/45) ======================= q-point: (-0.50 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( 0.000 12.163 11.367) 16.648 1.481 ( -0.000 16.907 11.992) 20.729 1.494 ( 0.000 15.977 7.896) 17.821 1.647 ( 0.000 16.772 14.365) 22.083 2.016 ( -0.000 4.326 1.049) 4.452 2.069 ( 0.000 0.550 1.098) 1.228 2.159 ( -0.000 5.890 -1.005) 5.976 2.168 ( 0.000 3.010 -6.421) 7.092 2.196 ( 0.000 -0.968 1.115) 1.477 2.207 ( -0.000 8.522 1.388) 8.634 2.273 ( -0.000 -2.723 0.236) 2.733 2.325 ( 0.000 5.562 4.687) 7.274 2.413 ( 0.000 -2.890 -4.250) 5.140 2.431 ( -0.000 2.463 1.186) 2.734 2.512 ( -0.000 4.093 1.413) 4.330 2.513 ( 0.000 -2.112 -6.132) 6.486 2.619 ( 0.000 6.625 8.708) 10.942 2.681 ( -0.000 5.511 3.076) 6.311 2.743 ( 0.000 3.983 -4.929) 6.337 2.857 ( 0.000 1.599 5.308) 5.543 2.937 ( -0.000 1.783 -0.428) 1.834 2.944 ( 0.000 -0.489 0.086) 0.497 3.035 ( 0.000 -0.583 -0.379) 0.695 3.046 ( 0.000 1.446 -0.454) 1.516 3.147 ( 0.000 0.304 1.324) 1.359 3.175 ( 0.000 1.619 0.441) 1.678 3.234 ( -0.000 0.041 3.494) 3.495 3.242 ( 0.000 -0.202 -0.883) 0.906 3.375 ( -0.000 1.392 0.390) 1.445 3.450 ( 0.000 -0.263 -3.337) 3.347 3.522 ( 0.000 0.132 2.161) 2.165 3.562 ( 0.000 -0.389 4.663) 4.680 3.725 ( -0.000 0.344 5.968) 5.977 3.731 ( 0.000 -8.230 5.824) 10.082 3.848 ( 0.000 2.599 5.590) 6.164 3.998 ( 0.000 4.856 -4.809) 6.834 4.077 ( 0.000 6.238 -1.586) 6.436 4.079 ( 0.000 -6.669 -7.552) 10.075 4.180 ( 0.000 6.580 5.062) 8.302 4.213 ( 0.000 -1.814 -4.624) 4.967 4.329 ( 0.000 -3.724 -2.305) 4.380 4.340 ( -0.000 -1.142 4.267) 4.418 4.427 ( 0.000 -2.240 0.346) 2.267 4.466 ( 0.000 -2.764 -2.125) 3.486 4.523 ( 0.000 2.600 -3.671) 4.498 4.576 ( 0.000 -5.271 1.548) 5.493 4.585 ( -0.000 0.289 1.888) 1.910 4.632 ( 0.000 2.498 -0.701) 2.595 4.761 ( 0.000 -1.456 3.507) 3.797 4.795 ( 0.000 1.116 1.964) 2.259 4.800 ( 0.000 2.342 -3.017) 3.819 4.931 ( 0.000 -4.037 0.739) 4.104 4.988 ( 0.000 0.463 0.720) 0.856 4.996 ( 0.000 -1.835 1.022) 2.101 5.090 ( -0.000 1.500 -2.252) 2.706 5.097 ( 0.000 2.627 0.543) 2.683 5.191 ( 0.000 1.324 -6.965) 7.090 5.280 ( 0.000 0.047 -10.729) 10.729 5.319 ( 0.000 3.404 -2.788) 4.400 5.350 ( 0.000 7.540 -2.874) 8.069 5.454 ( 0.000 0.248 -3.705) 3.713 5.564 ( 0.000 -0.469 -3.048) 3.083 5.607 ( 0.000 0.081 -2.537) 2.538 5.627 ( 0.000 0.721 -6.757) 6.795 5.753 ( 0.000 -4.152 -5.983) 7.282 5.849 ( 0.000 1.798 -0.988) 2.052 5.917 ( 0.000 2.618 -4.448) 5.161 6.114 ( 0.000 5.765 0.897) 5.835 6.283 ( 0.000 3.068 10.203) 10.655 6.298 ( -0.000 2.075 6.572) 6.892 6.329 ( 0.000 -2.406 7.320) 7.705 6.478 ( 0.000 3.032 8.621) 9.138 6.586 ( 0.000 -7.724 -9.102) 11.938 6.744 ( 0.000 -1.679 -1.209) 2.069 6.784 ( -0.000 -1.764 -2.628) 3.165 6.792 ( 0.000 -6.264 -3.578) 7.213 6.934 ( 0.000 -9.781 -0.594) 9.799 7.030 ( -0.000 1.533 4.496) 4.751 7.130 ( 0.000 4.656 -11.272) 12.196 7.321 ( 0.000 5.933 1.561) 6.135 7.381 ( 0.000 0.500 3.863) 3.895 7.459 ( 0.000 4.594 1.414) 4.807 7.530 ( 0.000 3.228 0.521) 3.269 7.594 ( 0.000 7.563 -0.252) 7.567 7.993 ( 0.000 0.447 4.928) 4.948 8.005 ( -0.000 0.634 5.021) 5.061 8.304 ( 0.000 -2.068 -6.463) 6.786 8.339 ( 0.000 -0.500 -5.205) 5.229 8.878 ( 0.000 -1.832 8.991) 9.176 8.947 ( 0.000 1.131 11.691) 11.746 9.212 ( 0.000 -4.120 -2.019) 4.588 9.251 ( 0.000 -1.688 0.741) 1.843 9.291 ( 0.000 -2.403 1.621) 2.899 9.439 ( 0.000 4.334 5.550) 7.042 9.599 ( 0.000 -6.610 -4.142) 7.801 9.683 ( 0.000 -2.345 -0.433) 2.384 10.170 ( -0.000 -4.748 3.156) 5.701 10.191 ( 0.000 -2.456 5.500) 6.024 10.479 ( 0.000 -17.119 -6.449) 18.293 10.588 ( -0.000 -0.429 0.958) 1.050 10.596 ( 0.000 1.360 0.123) 1.365 10.603 ( 0.000 -11.089 -0.020) 11.089 10.697 ( 0.000 -3.126 -2.957) 4.303 10.714 ( 0.000 -0.461 -3.124) 3.158 10.814 ( 0.000 4.133 6.423) 7.638 10.867 ( 0.000 -1.358 2.775) 3.090 10.903 ( 0.000 -3.795 4.835) 6.147 10.954 ( 0.000 0.940 6.418) 6.487 11.135 ( 0.000 -1.601 -2.699) 3.138 11.144 ( -0.000 -0.188 -1.710) 1.720 11.280 ( 0.000 10.979 -13.980) 17.776 11.633 ( 0.000 9.321 -2.196) 9.577 12.735 ( 0.000 -3.082 1.839) 3.589 12.843 ( 0.000 0.262 6.213) 6.218 12.963 ( 0.000 -3.495 -4.227) 5.485 13.059 ( 0.000 0.536 0.006) 0.536 13.721 ( 0.000 3.924 -1.556) 4.221 13.810 ( 0.000 5.276 1.628) 5.522 13.921 ( 0.000 1.002 2.794) 2.969 13.942 ( 0.000 -1.372 -5.482) 5.651 14.017 ( 0.000 -0.147 0.485) 0.507 14.100 ( 0.000 0.123 -6.156) 6.157 14.214 ( 0.000 -3.623 -4.705) 5.938 14.335 ( 0.000 -0.812 -4.362) 4.437 14.419 ( 0.000 0.902 1.779) 1.995 14.447 ( 0.000 0.916 0.889) 1.276 14.607 ( 0.000 -1.401 -1.340) 1.939 14.610 ( -0.000 -1.172 -1.825) 2.169 15.295 ( 0.000 -3.167 5.612) 6.444 15.362 ( 0.000 -0.435 7.723) 7.735 15.573 ( 0.000 -2.659 -3.718) 4.571 15.664 ( 0.000 0.913 -0.945) 1.314 15.741 ( 0.000 -1.513 1.912) 2.438 15.742 ( 0.000 -1.385 0.762) 1.581 15.809 ( 0.000 1.516 -1.445) 2.094 15.834 ( 0.000 2.835 -0.484) 2.876 16.509 ( -0.000 -0.528 1.523) 1.612 16.512 ( 0.000 -0.239 1.736) 1.753 16.602 ( 0.000 -1.922 -1.348) 2.347 16.627 ( 0.000 -0.786 -0.849) 1.157 16.637 ( 0.000 -0.928 -0.445) 1.029 16.660 ( 0.000 0.041 1.106) 1.106 16.757 ( 0.000 1.376 -4.722) 4.919 16.793 ( 0.000 2.861 -3.215) 4.303 17.876 ( 0.000 0.344 -1.438) 1.478 17.936 ( 0.000 0.461 -3.029) 3.064 17.943 ( 0.000 3.668 1.720) 4.051 18.031 ( 0.000 4.879 0.403) 4.895 18.348 ( 0.000 -0.178 -0.509) 0.539 18.438 ( 0.000 3.618 3.904) 5.323 18.544 ( 0.000 -1.212 -7.236) 7.337 18.643 ( 0.000 2.374 -3.154) 3.947 19.741 ( -0.000 1.682 5.654) 5.899 19.765 ( 0.000 3.182 6.877) 7.578 20.242 ( 0.000 -2.493 -5.663) 6.188 20.297 ( 0.000 1.595 -2.675) 3.115 20.997 ( 0.000 -4.805 7.605) 8.996 21.300 ( 0.000 7.961 18.158) 19.826 21.914 ( 0.000 -10.864 -13.265) 17.146 22.065 ( 0.000 -3.788 -5.555) 6.724 27.917 ( 0.000 0.085 -0.800) 0.805 27.941 ( 0.000 1.263 0.037) 1.263 28.008 ( 0.000 -0.721 -2.523) 2.624 28.042 ( 0.000 0.834 -1.719) 1.911 28.303 ( 0.000 -2.484 12.121) 12.373 28.328 ( 0.000 -1.092 12.377) 12.425 28.523 ( 0.000 -0.924 -0.265) 0.962 28.535 ( -0.000 -0.460 0.375) 0.594 28.716 ( 0.000 -1.604 3.301) 3.670 28.728 ( 0.000 -1.124 3.861) 4.022 29.094 ( 0.000 -11.643 -2.962) 12.014 29.118 ( 0.000 -12.000 -1.815) 12.137 29.290 ( 0.000 1.278 -0.013) 1.278 29.362 ( 0.000 5.261 3.590) 6.369 29.517 ( 0.000 -5.465 -8.095) 9.767 29.649 ( 0.000 0.452 -4.547) 4.569 29.906 ( -0.000 -1.599 2.102) 2.641 29.923 ( 0.000 -5.423 4.994) 7.372 30.030 ( 0.000 1.576 -1.582) 2.233 30.053 ( -0.000 1.481 0.237) 1.500 30.223 ( 0.000 3.252 -0.983) 3.397 30.303 ( 0.000 5.878 2.431) 6.361 30.376 ( 0.000 7.715 -2.716) 8.180 30.405 ( 0.000 9.039 -0.682) 9.065 31.688 ( 0.000 2.513 0.597) 2.582 31.759 ( 0.000 3.251 3.422) 4.720 31.835 ( 0.000 2.317 -1.471) 2.744 31.836 ( -0.000 5.057 -0.287) 5.066 32.098 ( 0.000 -2.222 -1.479) 2.670 32.218 ( -0.000 2.252 4.943) 5.432 32.454 ( 0.000 -9.581 -12.010) 15.364 32.634 ( 0.000 -4.395 -5.225) 6.828 ======================= Grid point 55 (22/45) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( 0.000 22.403 7.756) 23.708 1.376 ( 0.000 22.063 14.719) 26.522 1.614 ( 0.000 6.058 8.758) 10.649 1.840 ( 0.000 5.643 7.903) 9.711 1.854 ( 0.000 -11.678 -4.058) 12.363 2.002 ( 0.000 3.056 5.081) 5.929 2.147 ( 0.000 2.546 -0.563) 2.608 2.172 ( 0.000 0.971 3.152) 3.298 2.184 ( 0.000 1.124 -3.965) 4.121 2.336 ( 0.000 -1.233 1.287) 1.782 2.363 ( 0.000 8.184 6.489) 10.444 2.448 ( 0.000 -0.322 -2.603) 2.623 2.478 ( 0.000 10.619 5.063) 11.764 2.533 ( 0.000 4.951 7.741) 9.189 2.582 ( 0.000 -1.879 -2.735) 3.318 2.655 ( 0.000 -5.387 2.601) 5.982 2.676 ( 0.000 -0.117 5.267) 5.268 2.708 ( 0.000 -0.083 0.912) 0.916 2.731 ( 0.000 -1.238 -14.917) 14.968 2.826 ( 0.000 6.065 -5.566) 8.232 2.842 ( 0.000 0.269 -0.610) 0.667 3.015 ( 0.000 2.045 -0.139) 2.050 3.106 ( 0.000 1.019 0.436) 1.108 3.114 ( 0.000 3.769 2.522) 4.535 3.155 ( 0.000 2.279 -1.239) 2.594 3.270 ( 0.000 1.051 0.819) 1.332 3.284 ( 0.000 -8.023 1.087) 8.096 3.355 ( 0.000 10.104 -3.307) 10.632 3.372 ( 0.000 6.431 2.555) 6.920 3.534 ( 0.000 -1.764 6.805) 7.030 3.585 ( 0.000 7.462 2.801) 7.971 3.653 ( 0.000 10.151 0.131) 10.152 3.694 ( 0.000 1.704 1.983) 2.614 3.779 ( 0.000 1.950 3.892) 4.353 3.906 ( 0.000 -4.128 5.731) 7.063 3.931 ( 0.000 -1.918 -2.151) 2.882 4.106 ( 0.000 2.152 -4.288) 4.798 4.112 ( 0.000 0.154 0.958) 0.970 4.149 ( 0.000 -2.219 2.566) 3.392 4.166 ( 0.000 -2.706 -4.723) 5.443 4.330 ( 0.000 -3.249 -0.383) 3.272 4.367 ( 0.000 3.786 0.471) 3.815 4.437 ( 0.000 -0.032 -1.567) 1.567 4.470 ( 0.000 6.670 -1.887) 6.931 4.551 ( 0.000 -4.964 -1.219) 5.111 4.582 ( 0.000 3.974 1.169) 4.142 4.661 ( 0.000 6.484 -0.176) 6.487 4.779 ( 0.000 5.973 -2.985) 6.677 4.793 ( 0.000 -2.357 3.222) 3.992 4.815 ( 0.000 7.897 -8.277) 11.440 4.853 ( 0.000 1.801 -0.097) 1.804 4.932 ( 0.000 3.312 1.101) 3.490 4.964 ( 0.000 -0.131 4.141) 4.144 5.060 ( 0.000 4.508 -1.244) 4.676 5.109 ( 0.000 -2.441 -4.345) 4.984 5.165 ( 0.000 0.661 -3.219) 3.286 5.258 ( 0.000 1.735 -5.320) 5.595 5.311 ( 0.000 3.059 -1.248) 3.303 5.400 ( 0.000 -1.086 -7.085) 7.168 5.436 ( 0.000 -8.051 -8.925) 12.020 5.438 ( 0.000 -1.215 -0.617) 1.363 5.502 ( 0.000 4.321 0.871) 4.408 5.641 ( 0.000 1.300 -1.629) 2.084 5.646 ( 0.000 1.784 5.152) 5.452 5.695 ( 0.000 -0.950 3.642) 3.763 5.913 ( 0.000 3.317 -2.293) 4.033 6.031 ( 0.000 4.053 -9.146) 10.003 6.129 ( 0.000 -7.089 8.739) 11.253 6.193 ( 0.000 -2.808 2.880) 4.022 6.388 ( 0.000 -3.720 -4.922) 6.169 6.443 ( 0.000 3.842 5.276) 6.527 6.470 ( 0.000 -1.773 -5.569) 5.845 6.496 ( 0.000 2.647 6.963) 7.449 6.610 ( 0.000 -1.904 -6.107) 6.397 6.681 ( 0.000 0.306 -2.425) 2.444 6.760 ( 0.000 -1.792 1.773) 2.521 6.812 ( 0.000 -1.390 2.233) 2.631 6.920 ( 0.000 -0.443 1.213) 1.291 7.319 ( 0.000 4.044 1.322) 4.254 7.380 ( 0.000 5.836 2.874) 6.505 7.543 ( 0.000 5.452 0.356) 5.463 7.544 ( 0.000 4.850 4.596) 6.682 7.670 ( 0.000 2.358 0.009) 2.358 7.710 ( 0.000 3.336 5.038) 6.042 7.800 ( 0.000 2.233 -2.925) 3.680 8.010 ( 0.000 -3.140 -3.156) 4.452 8.260 ( 0.000 2.704 3.190) 4.182 8.465 ( 0.000 1.201 -3.321) 3.531 8.896 ( 0.000 1.106 5.739) 5.844 8.963 ( 0.000 0.645 4.393) 4.440 9.072 ( 0.000 -2.029 1.667) 2.626 9.162 ( 0.000 -3.118 -1.409) 3.422 9.273 ( 0.000 -2.292 -2.174) 3.159 9.447 ( 0.000 -8.628 -3.495) 9.309 9.473 ( 0.000 2.735 4.774) 5.502 9.608 ( 0.000 -6.985 -1.175) 7.083 9.878 ( 0.000 -10.689 2.855) 11.064 10.069 ( 0.000 -14.150 0.470) 14.158 10.352 ( 0.000 -1.030 1.233) 1.607 10.410 ( 0.000 -4.117 0.135) 4.119 10.546 ( 0.000 4.089 0.321) 4.102 10.682 ( 0.000 -0.329 0.320) 0.459 10.767 ( 0.000 0.169 0.804) 0.822 10.768 ( 0.000 -1.632 1.134) 1.987 10.804 ( 0.000 2.772 1.281) 3.053 10.834 ( 0.000 -0.338 -0.381) 0.509 10.920 ( 0.000 -1.590 4.134) 4.430 10.983 ( 0.000 -1.307 1.020) 1.658 11.061 ( 0.000 3.518 1.696) 3.906 11.186 ( 0.000 -2.417 -3.186) 3.999 11.285 ( 0.000 -6.227 -10.340) 12.071 11.539 ( 0.000 -12.947 -2.972) 13.284 12.652 ( 0.000 3.010 2.152) 3.701 12.854 ( 0.000 -1.873 -5.734) 6.032 12.947 ( 0.000 -0.392 0.739) 0.836 13.008 ( 0.000 -1.892 0.007) 1.892 13.812 ( 0.000 3.137 -0.806) 3.239 13.816 ( 0.000 1.910 2.255) 2.955 13.946 ( 0.000 4.596 -1.216) 4.754 14.017 ( 0.000 3.510 1.769) 3.931 14.035 ( 0.000 3.667 2.272) 4.314 14.135 ( 0.000 -2.806 -0.710) 2.895 14.261 ( 0.000 -1.842 -4.638) 4.990 14.264 ( 0.000 2.484 -1.639) 2.976 14.420 ( 0.000 -1.250 2.757) 3.028 14.455 ( 0.000 -0.370 0.197) 0.419 14.565 ( 0.000 1.095 -1.454) 1.820 14.625 ( 0.000 -1.921 -2.605) 3.237 15.270 ( 0.000 -1.252 4.980) 5.134 15.312 ( 0.000 -2.554 4.547) 5.215 15.571 ( 0.000 -0.033 -3.055) 3.055 15.605 ( 0.000 -1.831 -3.871) 4.282 15.715 ( 0.000 -0.985 2.005) 2.234 15.724 ( 0.000 -0.383 2.361) 2.392 15.855 ( 0.000 2.029 -0.207) 2.040 15.888 ( 0.000 1.748 -0.101) 1.750 16.495 ( 0.000 0.421 1.301) 1.368 16.530 ( 0.000 -0.799 -0.263) 0.841 16.590 ( 0.000 -1.779 -0.787) 1.945 16.592 ( 0.000 -0.618 -1.591) 1.707 16.642 ( 0.000 -0.392 0.556) 0.680 16.684 ( 0.000 -0.793 -1.811) 1.977 16.689 ( 0.000 0.886 0.665) 1.108 16.789 ( 0.000 1.168 -1.919) 2.246 17.840 ( 0.000 2.087 -0.698) 2.200 17.896 ( 0.000 0.767 -1.793) 1.950 18.103 ( 0.000 3.832 -0.028) 3.832 18.204 ( 0.000 2.247 -2.452) 3.326 18.395 ( 0.000 3.026 -4.033) 5.042 18.407 ( 0.000 0.946 -1.474) 1.751 18.515 ( 0.000 3.853 4.207) 5.705 18.684 ( 0.000 0.901 -1.106) 1.426 19.762 ( 0.000 4.620 5.577) 7.242 19.882 ( 0.000 4.203 6.846) 8.033 20.230 ( 0.000 -9.266 -1.781) 9.436 20.315 ( 0.000 -0.395 -0.554) 0.680 20.971 ( 0.000 2.190 -4.388) 4.904 21.448 ( 0.000 4.876 15.909) 16.640 21.657 ( 0.000 -10.787 -12.572) 16.565 21.943 ( 0.000 -6.374 -0.832) 6.428 27.918 ( 0.000 1.183 -1.232) 1.708 27.968 ( 0.000 0.589 -2.728) 2.791 28.021 ( 0.000 -0.516 -2.631) 2.681 28.023 ( 0.000 -1.409 -3.020) 3.333 28.283 ( 0.000 -3.466 8.835) 9.491 28.290 ( 0.000 -0.641 7.552) 7.579 28.453 ( 0.000 -3.561 0.771) 3.643 28.506 ( 0.000 -5.730 -0.380) 5.743 28.698 ( 0.000 -1.352 2.609) 2.939 28.700 ( 0.000 -0.194 3.051) 3.058 28.894 ( 0.000 -7.209 -1.581) 7.380 28.903 ( 0.000 -6.088 -0.948) 6.161 29.273 ( 0.000 0.871 0.597) 1.056 29.387 ( 0.000 -2.257 -2.937) 3.704 29.484 ( 0.000 3.498 3.163) 4.716 29.674 ( 0.000 -3.658 2.697) 4.544 29.722 ( 0.000 -1.444 1.911) 2.396 29.922 ( 0.000 2.090 -4.121) 4.621 30.137 ( 0.000 0.466 -0.009) 0.467 30.338 ( 0.000 2.080 -0.865) 2.253 30.374 ( 0.000 5.186 2.719) 5.855 30.503 ( 0.000 1.919 0.687) 2.038 30.529 ( 0.000 4.500 -3.882) 5.943 30.562 ( 0.000 2.118 -1.028) 2.354 31.424 ( 0.000 -4.095 1.887) 4.509 31.464 ( 0.000 -5.320 -0.126) 5.321 31.850 ( 0.000 -2.037 2.505) 3.229 31.902 ( 0.000 2.006 -1.083) 2.280 32.113 ( 0.000 7.253 -2.446) 7.655 32.300 ( 0.000 7.073 -10.219) 12.429 32.488 ( 0.000 2.121 0.989) 2.340 32.578 ( 0.000 -4.084 1.249) 4.271 ======================= Grid point 56 (23/45) ======================= q-point: ( 0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( 17.004 15.919 7.771) 24.554 1.497 ( 11.444 18.473 13.844) 25.765 1.807 ( 7.582 2.597 5.514) 9.728 1.875 ( 6.695 -1.182 2.231) 7.155 1.921 ( 5.845 -1.672 4.111) 7.339 1.991 ( 1.576 3.230 3.569) 5.065 2.120 ( -0.814 -1.186 1.528) 2.099 2.171 ( 0.430 3.147 1.336) 3.445 2.219 ( 0.218 1.031 -1.348) 1.711 2.298 ( -2.785 2.279 -0.531) 3.637 2.370 ( -0.825 3.931 0.499) 4.048 2.422 ( -0.286 2.330 0.671) 2.442 2.470 ( -0.872 6.815 4.539) 8.234 2.485 ( -3.607 -2.831 -1.626) 4.865 2.584 ( -0.675 1.047 -1.638) 2.057 2.614 ( -1.158 4.293 3.215) 5.487 2.644 ( 2.001 1.592 0.281) 2.573 2.726 ( 2.138 4.033 -1.348) 4.760 2.770 ( 3.279 0.979 -3.850) 5.152 2.883 ( 2.262 -0.013 0.425) 2.302 2.897 ( 5.026 4.814 0.935) 7.022 3.000 ( -2.024 2.601 0.320) 3.312 3.066 ( -2.896 3.915 0.367) 4.884 3.120 ( 1.339 1.109 0.380) 1.780 3.159 ( -0.219 1.135 -0.402) 1.224 3.236 ( -1.342 1.780 0.497) 2.284 3.290 ( -1.420 0.337 2.708) 3.076 3.343 ( 0.224 3.524 -0.306) 3.544 3.404 ( 0.281 0.520 -1.408) 1.527 3.454 ( -8.877 1.085 -0.082) 8.943 3.544 ( 1.658 2.851 4.609) 5.668 3.618 ( -0.923 5.404 4.683) 7.210 3.738 ( 2.176 6.847 3.439) 7.965 3.839 ( -7.851 3.599 9.334) 12.716 3.939 ( -0.193 -0.367 0.574) 0.708 3.971 ( 4.260 -5.113 -0.031) 6.655 4.028 ( -0.817 3.506 -4.749) 5.959 4.104 ( 4.116 0.175 -4.099) 5.811 4.169 ( -0.929 -1.580 -2.669) 3.238 4.209 ( 4.869 -3.049 -0.552) 5.771 4.284 ( -2.718 1.812 0.376) 3.288 4.362 ( 0.301 -3.513 0.362) 3.544 4.425 ( -5.103 7.180 4.335) 9.818 4.461 ( -1.091 4.272 -3.398) 5.567 4.500 ( -0.633 -2.250 -2.444) 3.382 4.548 ( -0.964 2.739 -0.636) 2.973 4.635 ( -4.622 1.203 1.253) 4.938 4.704 ( -4.817 0.263 -0.321) 4.835 4.771 ( -1.115 2.592 0.445) 2.857 4.812 ( -1.864 2.157 -4.396) 5.240 4.853 ( 1.438 2.655 -0.931) 3.159 4.927 ( -4.317 -2.430 -1.702) 5.238 5.006 ( -0.304 1.604 2.482) 2.971 5.044 ( 3.946 1.852 1.409) 4.581 5.098 ( -3.025 2.414 -2.745) 4.745 5.167 ( -0.923 0.404 -2.358) 2.564 5.240 ( -0.776 2.683 -4.173) 5.021 5.287 ( 0.189 3.097 -4.716) 5.646 5.375 ( -1.329 0.427 -4.215) 4.440 5.414 ( 0.581 -1.719 -7.966) 8.170 5.470 ( 0.485 -3.417 -5.921) 6.853 5.500 ( 0.463 0.815 0.208) 0.960 5.605 ( -0.504 4.450 2.557) 5.157 5.658 ( 0.401 0.301 -1.831) 1.898 5.802 ( 5.924 1.161 1.569) 6.237 5.908 ( -2.010 3.967 -3.031) 5.382 5.965 ( -3.191 2.983 -6.458) 7.796 6.112 ( -0.395 -4.740 4.681) 6.674 6.247 ( 2.938 -1.057 7.792) 8.394 6.367 ( -1.158 -1.465 -3.570) 4.029 6.419 ( -2.547 1.572 1.665) 3.425 6.467 ( -2.168 -0.879 1.023) 2.553 6.503 ( 2.205 0.219 3.471) 4.118 6.610 ( 1.282 -3.406 -3.196) 4.844 6.706 ( 0.114 -1.545 1.353) 2.057 6.763 ( -1.087 -3.044 -0.149) 3.235 6.793 ( -0.053 -2.238 -0.493) 2.293 6.971 ( 5.635 0.189 2.734) 6.266 7.299 ( -4.227 5.371 -5.117) 8.538 7.373 ( 1.318 4.371 3.692) 5.871 7.484 ( -2.772 5.419 3.201) 6.878 7.587 ( 1.149 5.507 1.002) 5.714 7.600 ( -2.694 3.872 1.069) 4.836 7.762 ( -1.266 5.705 -1.634) 6.068 7.845 ( 8.273 1.475 5.058) 9.808 8.105 ( 7.925 -3.454 -3.542) 9.343 8.193 ( -6.298 2.366 3.772) 7.713 8.423 ( -4.635 0.291 -3.336) 5.718 8.877 ( -1.266 0.685 4.237) 4.475 8.972 ( 0.379 1.395 6.697) 6.851 9.096 ( 2.174 -3.036 -0.127) 3.736 9.183 ( 1.670 -3.484 -0.889) 3.965 9.266 ( -0.624 -1.907 -2.597) 3.282 9.450 ( 0.242 -8.311 -4.390) 9.402 9.493 ( 1.374 2.511 5.038) 5.795 9.610 ( 0.332 -5.612 0.262) 5.627 9.933 ( 5.730 -9.642 2.341) 11.458 10.118 ( 4.662 -13.000 -0.867) 13.838 10.274 ( -7.383 -2.972 1.809) 8.162 10.373 ( -3.703 -7.189 0.060) 8.087 10.569 ( 2.440 3.584 0.214) 4.341 10.695 ( 0.986 0.480 -1.144) 1.584 10.723 ( -3.934 1.396 -0.585) 4.215 10.759 ( -2.102 1.199 -0.539) 2.479 10.804 ( 1.837 -0.158 2.568) 3.161 10.840 ( 0.382 -1.142 2.780) 3.030 10.921 ( -0.805 -0.830 4.834) 4.971 10.983 ( -3.178 1.085 3.271) 4.688 11.036 ( 3.320 -2.194 0.839) 4.067 11.167 ( -2.046 -2.369 -2.755) 4.170 11.319 ( 1.901 -4.055 -11.292) 12.148 11.580 ( 2.765 -11.716 -2.544) 12.304 12.674 ( 1.898 1.211 1.723) 2.835 12.841 ( -1.266 -0.644 0.567) 1.529 12.934 ( 0.237 -0.848 -2.543) 2.691 13.057 ( 2.786 0.244 -1.415) 3.134 13.803 ( 0.190 1.841 -0.765) 2.003 13.853 ( 2.619 2.471 0.252) 3.609 13.929 ( -1.597 3.947 -1.669) 4.573 13.990 ( -2.274 2.488 1.518) 3.697 14.042 ( 0.570 3.339 3.081) 4.580 14.106 ( -2.568 -1.755 0.592) 3.166 14.228 ( -1.417 1.208 -4.500) 4.870 14.305 ( 2.027 -0.502 -3.092) 3.731 14.415 ( -0.282 -0.860 3.374) 3.494 14.449 ( -0.564 -0.941 1.181) 1.611 14.570 ( 0.596 0.526 -1.756) 1.928 14.614 ( -1.100 -1.531 -2.430) 3.075 15.253 ( -1.033 -1.990 3.654) 4.287 15.331 ( 1.326 -1.525 6.123) 6.448 15.543 ( -1.579 -1.499 -4.575) 5.066 15.639 ( 2.025 -0.906 -2.613) 3.428 15.720 ( 0.491 -0.611 2.978) 3.079 15.726 ( 0.107 -0.393 1.977) 2.019 15.847 ( -0.742 1.724 -1.011) 2.132 15.885 ( -0.186 2.003 -0.259) 2.028 16.495 ( 0.113 0.209 1.231) 1.254 16.521 ( -0.825 -0.662 0.414) 1.136 16.577 ( -0.580 -1.024 -1.667) 2.040 16.600 ( 0.365 -1.351 -0.801) 1.613 16.629 ( -0.833 -0.809 -0.056) 1.163 16.666 ( -0.364 0.383 2.219) 2.281 16.745 ( 2.928 -0.106 -3.782) 4.784 16.810 ( 1.812 1.169 -1.897) 2.872 17.865 ( 2.351 2.024 -1.464) 3.430 17.917 ( 1.949 0.858 -2.521) 3.300 18.072 ( -3.107 3.771 0.521) 4.913 18.152 ( -3.770 3.123 -0.077) 4.897 18.366 ( -0.506 1.654 -2.012) 2.654 18.487 ( 3.895 0.753 -2.896) 4.912 18.515 ( 0.336 3.848 2.145) 4.418 18.679 ( -0.417 0.874 -0.872) 1.303 19.773 ( 1.052 4.202 5.193) 6.763 19.868 ( -1.307 4.663 7.061) 8.562 20.201 ( -2.445 -6.783 -3.538) 8.032 20.310 ( -0.262 -0.853 1.870) 2.072 20.971 ( -0.033 2.157 -4.345) 4.851 21.439 ( -0.656 5.681 15.660) 16.672 21.673 ( 1.238 -11.815 -13.540) 18.013 21.949 ( 0.452 -6.767 -0.607) 6.809 27.920 ( 0.147 0.751 -1.914) 2.061 27.966 ( -0.072 0.862 -2.116) 2.286 28.002 ( -0.993 -1.156 -3.206) 3.550 28.041 ( 0.792 -0.461 -2.122) 2.312 28.267 ( -0.800 -2.026 8.433) 8.710 28.302 ( 0.422 -1.461 8.535) 8.670 28.459 ( 0.786 -3.620 0.158) 3.708 28.504 ( -0.415 -5.423 -0.383) 5.453 28.689 ( -0.404 -0.994 2.723) 2.927 28.705 ( 0.095 -0.788 3.065) 3.166 28.897 ( 0.263 -7.199 -1.742) 7.412 28.910 ( 0.595 -6.874 -1.065) 6.981 29.291 ( 1.532 0.867 -0.294) 1.785 29.404 ( 1.677 -2.346 -3.213) 4.318 29.473 ( -1.087 2.906 3.192) 4.451 29.662 ( -0.882 -1.714 2.382) 3.065 29.766 ( 4.227 -1.535 2.199) 5.006 29.931 ( 0.510 1.381 -2.267) 2.703 30.093 ( -4.448 1.638 0.485) 4.765 30.217 ( -9.353 0.716 -0.096) 9.380 30.334 ( -4.654 3.632 0.046) 5.904 30.446 ( -3.450 4.524 1.659) 5.926 30.494 ( -1.025 3.374 -3.750) 5.147 30.560 ( -0.039 5.804 -1.498) 5.994 31.551 ( 10.444 -3.804 2.176) 11.326 31.634 ( 13.091 -5.217 -0.143) 14.093 31.821 ( -2.319 -1.300 2.069) 3.369 31.939 ( 1.586 -0.468 -0.513) 1.731 32.104 ( 0.445 8.767 -1.833) 8.968 32.302 ( -0.111 4.079 -8.843) 9.739 32.426 ( -5.741 2.319 0.079) 6.192 32.554 ( -2.156 -4.759 -0.129) 5.226 ======================= Grid point 57 (24/45) ======================= q-point: (-0.50 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( 0.000 11.421 8.403) 14.179 1.705 ( -0.000 6.153 12.367) 13.813 1.755 ( 0.000 9.327 8.778) 12.808 1.881 ( 0.000 1.673 6.841) 7.043 2.032 ( 0.000 -3.577 -3.921) 5.307 2.041 ( 0.000 1.588 0.952) 1.852 2.128 ( 0.000 -0.781 5.721) 5.774 2.171 ( 0.000 4.938 -6.839) 8.435 2.257 ( 0.000 3.316 1.511) 3.644 2.266 ( -0.000 2.031 -1.316) 2.420 2.365 ( -0.000 3.483 0.981) 3.619 2.370 ( 0.000 -1.810 2.901) 3.420 2.445 ( 0.000 -4.060 -2.153) 4.595 2.532 ( -0.000 6.539 -6.436) 9.175 2.544 ( 0.000 5.800 5.798) 8.201 2.585 ( 0.000 6.580 -4.618) 8.039 2.735 ( 0.000 -1.733 3.416) 3.831 2.758 ( -0.000 -0.104 -3.114) 3.116 2.886 ( 0.000 9.943 1.513) 10.057 2.891 ( -0.000 2.418 6.114) 6.574 2.956 ( -0.000 3.955 0.813) 4.037 2.986 ( 0.000 4.800 4.270) 6.425 3.054 ( -0.000 1.213 -3.113) 3.341 3.116 ( 0.000 4.314 0.371) 4.330 3.164 ( -0.000 2.247 -0.164) 2.253 3.196 ( 0.000 0.783 -2.386) 2.511 3.252 ( 0.000 1.196 1.915) 2.258 3.316 ( 0.000 5.760 -0.316) 5.769 3.371 ( -0.000 -6.036 4.071) 7.281 3.380 ( 0.000 2.135 2.253) 3.104 3.567 ( 0.000 0.260 -2.197) 2.212 3.614 ( 0.000 5.729 6.632) 8.763 3.668 ( 0.000 8.335 8.701) 12.049 3.765 ( 0.000 1.967 4.584) 4.988 3.916 ( 0.000 -2.242 -3.827) 4.435 3.967 ( -0.000 5.357 -1.206) 5.491 4.095 ( 0.000 -0.926 -0.648) 1.130 4.128 ( 0.000 -0.112 -1.588) 1.592 4.226 ( 0.000 1.205 -4.886) 5.033 4.233 ( -0.000 0.493 2.093) 2.150 4.306 ( -0.000 -7.446 0.345) 7.454 4.328 ( 0.000 5.722 -1.044) 5.817 4.393 ( 0.000 2.382 -1.473) 2.801 4.430 ( 0.000 1.591 2.113) 2.645 4.502 ( 0.000 -1.345 -1.546) 2.049 4.561 ( -0.000 -0.734 -2.643) 2.743 4.583 ( 0.000 0.077 0.869) 0.873 4.636 ( 0.000 -0.479 0.689) 0.839 4.707 ( 0.000 -2.747 -0.956) 2.909 4.817 ( 0.000 0.483 0.447) 0.658 4.856 ( 0.000 -0.821 -2.861) 2.976 4.879 ( 0.000 3.786 -1.642) 4.127 5.010 ( -0.000 2.096 0.152) 2.102 5.012 ( 0.000 4.457 1.509) 4.705 5.136 ( 0.000 2.854 1.692) 3.317 5.142 ( -0.000 0.715 2.075) 2.195 5.227 ( 0.000 -0.912 -8.443) 8.492 5.307 ( 0.000 5.762 -8.800) 10.519 5.352 ( 0.000 0.722 -1.322) 1.506 5.433 ( 0.000 -3.537 -8.708) 9.399 5.480 ( 0.000 1.426 -5.814) 5.987 5.505 ( 0.000 -0.889 -1.289) 1.566 5.612 ( 0.000 2.467 5.053) 5.624 5.665 ( 0.000 2.502 -5.524) 6.064 5.813 ( 0.000 6.762 -7.842) 10.355 5.889 ( 0.000 2.771 -4.212) 5.042 5.966 ( 0.000 2.178 -0.550) 2.247 6.111 ( 0.000 -6.811 6.826) 9.643 6.289 ( 0.000 1.506 7.002) 7.162 6.354 ( 0.000 4.213 9.894) 10.754 6.360 ( 0.000 -0.818 -1.582) 1.781 6.446 ( 0.000 -4.881 -7.374) 8.843 6.524 ( 0.000 2.018 6.769) 7.063 6.650 ( 0.000 -5.769 -3.477) 6.736 6.708 ( 0.000 -1.800 2.678) 3.226 6.730 ( 0.000 -3.548 -0.227) 3.555 6.790 ( 0.000 -5.742 -1.370) 5.903 7.072 ( 0.000 2.716 11.937) 12.242 7.212 ( 0.000 3.326 -15.832) 16.178 7.412 ( -0.000 2.522 1.899) 3.157 7.443 ( 0.000 7.355 3.474) 8.134 7.572 ( 0.000 6.839 2.162) 7.173 7.599 ( 0.000 3.544 -2.057) 4.098 7.746 ( 0.000 7.811 0.505) 7.827 8.023 ( 0.000 1.435 4.690) 4.904 8.024 ( -0.000 3.035 5.405) 6.199 8.257 ( -0.000 -2.761 -4.968) 5.683 8.317 ( 0.000 -1.698 -2.255) 2.823 8.864 ( 0.000 0.460 3.381) 3.412 8.975 ( 0.000 1.969 8.136) 8.371 9.124 ( 0.000 -4.736 -2.635) 5.420 9.202 ( 0.000 -3.243 1.237) 3.471 9.257 ( 0.000 -1.445 -3.547) 3.830 9.453 ( 0.000 -8.126 -5.759) 9.960 9.506 ( 0.000 1.707 5.528) 5.785 9.616 ( 0.000 -3.873 1.772) 4.259 10.053 ( -0.000 -7.296 -0.004) 7.296 10.131 ( 0.000 -3.907 4.130) 5.685 10.200 ( 0.000 -11.232 -3.765) 11.847 10.309 ( -0.000 -12.866 1.647) 12.971 10.625 ( 0.000 1.839 -0.450) 1.893 10.647 ( 0.000 3.261 0.096) 3.262 10.715 ( 0.000 1.833 -0.964) 2.071 10.726 ( -0.000 1.434 -2.938) 3.269 10.833 ( 0.000 -2.755 1.882) 3.337 10.861 ( 0.000 0.431 6.192) 6.207 10.877 ( -0.000 -0.428 3.743) 3.767 10.964 ( 0.000 -0.275 7.564) 7.569 11.101 ( 0.000 -2.199 -2.800) 3.560 11.119 ( -0.000 -2.480 -0.847) 2.621 11.337 ( 0.000 -4.083 -12.255) 12.917 11.608 ( 0.000 -9.863 -1.916) 10.048 12.698 ( 0.000 -0.481 0.619) 0.783 12.824 ( 0.000 -1.054 6.178) 6.267 12.944 ( 0.000 1.583 -6.244) 6.441 13.082 ( 0.000 1.374 -0.688) 1.537 13.809 ( 0.000 2.425 -2.534) 3.508 13.889 ( 0.000 2.514 0.755) 2.625 13.911 ( 0.000 1.350 -4.210) 4.421 13.954 ( 0.000 1.764 2.195) 2.816 14.057 ( 0.000 3.393 4.919) 5.976 14.066 ( 0.000 -0.957 0.902) 1.315 14.213 ( 0.000 1.447 -5.177) 5.375 14.327 ( 0.000 -0.676 -3.468) 3.534 14.413 ( 0.000 -0.787 3.894) 3.973 14.441 ( 0.000 -1.211 2.040) 2.372 14.584 ( 0.000 -0.785 -2.154) 2.293 14.594 ( -0.000 -0.406 -2.134) 2.173 15.243 ( 0.000 -2.263 2.954) 3.721 15.346 ( 0.000 -0.964 7.268) 7.332 15.527 ( 0.000 -2.161 -5.519) 5.927 15.660 ( 0.000 -0.928 -2.234) 2.419 15.727 ( 0.000 -0.334 1.538) 1.574 15.728 ( 0.000 -0.057 4.493) 4.493 15.837 ( 0.000 1.362 -2.200) 2.588 15.883 ( 0.000 2.188 -0.344) 2.215 16.500 ( -0.000 -0.266 0.760) 0.805 16.507 ( 0.000 -0.183 1.380) 1.392 16.572 ( 0.000 -1.007 -1.835) 2.094 16.606 ( 0.000 -1.287 -1.036) 1.652 16.619 ( 0.000 -1.053 0.113) 1.059 16.663 ( 0.000 0.346 2.793) 2.814 16.774 ( 0.000 0.187 -4.691) 4.694 16.832 ( 0.000 1.109 -2.099) 2.374 17.900 ( 0.000 1.837 -3.154) 3.650 17.948 ( 0.000 0.617 -4.489) 4.532 18.022 ( 0.000 4.277 2.820) 5.123 18.110 ( 0.000 3.114 2.067) 3.737 18.363 ( 0.000 1.454 -1.854) 2.356 18.507 ( 0.000 3.463 4.867) 5.974 18.540 ( 0.000 0.524 -6.824) 6.844 18.673 ( 0.000 0.882 -0.435) 0.983 19.789 ( 0.000 3.316 4.359) 5.477 19.849 ( 0.000 5.591 7.730) 9.540 20.172 ( 0.000 -4.748 -4.347) 6.437 20.308 ( 0.000 -1.262 3.132) 3.377 20.971 ( 0.000 2.124 -4.303) 4.799 21.432 ( 0.000 6.215 15.495) 16.695 21.687 ( 0.000 -12.438 -14.363) 19.000 21.954 ( 0.000 -7.113 -0.441) 7.127 27.921 ( 0.000 0.243 -2.731) 2.741 27.966 ( 0.000 1.342 -1.260) 1.840 27.990 ( 0.000 -1.251 -3.322) 3.549 28.049 ( 0.000 -0.193 -1.783) 1.793 28.259 ( 0.000 -1.755 8.551) 8.729 28.305 ( 0.000 -1.095 8.849) 8.916 28.475 ( 0.000 -4.526 -0.840) 4.604 28.493 ( 0.000 -4.387 0.144) 4.389 28.685 ( 0.000 -1.177 2.555) 2.813 28.705 ( 0.000 -0.867 3.327) 3.439 28.900 ( 0.000 -7.334 -1.870) 7.568 28.917 ( 0.000 -7.295 -1.150) 7.385 29.310 ( 0.000 0.434 -1.597) 1.655 29.435 ( 0.000 -3.117 -5.458) 6.286 29.452 ( 0.000 3.148 5.192) 6.072 29.650 ( 0.000 -0.086 2.469) 2.471 29.857 ( 0.000 -0.629 2.071) 2.165 29.894 ( 0.000 0.168 2.387) 2.393 30.072 ( 0.000 0.358 -0.777) 0.855 30.075 ( -0.000 2.728 -1.289) 3.017 30.276 ( 0.000 2.559 -2.267) 3.419 30.421 ( 0.000 6.099 3.707) 7.137 30.488 ( 0.000 3.200 -4.987) 5.926 30.557 ( 0.000 6.384 -1.050) 6.469 31.705 ( 0.000 -1.214 1.622) 2.026 31.733 ( 0.000 -3.772 3.070) 4.864 31.864 ( 0.000 -0.034 -1.226) 1.227 31.883 ( -0.000 -3.376 0.657) 3.440 32.156 ( 0.000 7.934 -3.671) 8.742 32.270 ( -0.000 3.556 3.102) 4.719 32.357 ( 0.000 0.174 -8.635) 8.637 32.526 ( 0.000 -5.329 -1.693) 5.592 ======================= Grid point 60 (25/45) ======================= q-point: ( 0.00 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( 0.000 15.708 -0.442) 15.715 1.675 ( 0.000 -5.651 0.486) 5.671 1.685 ( 0.000 5.397 15.798) 16.694 1.758 ( 0.000 5.361 5.570) 7.731 1.846 ( 0.000 5.749 6.216) 8.467 2.104 ( 0.000 3.142 1.635) 3.542 2.161 ( 0.000 -1.017 2.371) 2.580 2.169 ( 0.000 2.546 -2.516) 3.580 2.221 ( 0.000 0.815 1.314) 1.546 2.281 ( 0.000 -3.540 4.978) 6.108 2.353 ( 0.000 -6.341 0.968) 6.414 2.380 ( 0.000 -2.512 -1.761) 3.068 2.514 ( 0.000 -0.145 4.948) 4.950 2.523 ( 0.000 -0.470 -1.406) 1.483 2.558 ( 0.000 -3.788 -8.050) 8.897 2.612 ( 0.000 -2.242 -1.467) 2.680 2.656 ( 0.000 2.055 1.121) 2.340 2.699 ( 0.000 -1.042 -2.055) 2.304 2.763 ( 0.000 1.604 -5.605) 5.830 2.896 ( 0.000 -1.107 0.728) 1.325 2.971 ( 0.000 -0.750 3.570) 3.648 2.989 ( 0.000 5.813 -4.884) 7.592 3.113 ( 0.000 -1.888 0.577) 1.974 3.130 ( 0.000 -0.137 0.732) 0.744 3.171 ( 0.000 -0.866 0.535) 1.018 3.189 ( 0.000 -2.451 5.497) 6.019 3.332 ( 0.000 7.404 1.046) 7.478 3.476 ( 0.000 1.530 9.464) 9.587 3.481 ( 0.000 -2.926 8.925) 9.392 3.573 ( 0.000 2.642 -2.929) 3.945 3.679 ( 0.000 -3.042 8.989) 9.490 3.696 ( 0.000 3.980 2.307) 4.600 3.786 ( 0.000 5.890 -2.857) 6.547 3.868 ( 0.000 4.175 5.145) 6.626 3.890 ( 0.000 2.940 1.214) 3.181 3.905 ( 0.000 3.555 -2.414) 4.297 4.094 ( 0.000 0.217 -0.859) 0.886 4.133 ( 0.000 0.764 -1.628) 1.799 4.195 ( 0.000 3.180 -2.923) 4.320 4.242 ( 0.000 0.711 -2.994) 3.077 4.268 ( 0.000 3.824 -2.713) 4.688 4.345 ( 0.000 -5.085 -9.671) 10.927 4.486 ( 0.000 3.868 -0.311) 3.881 4.510 ( 0.000 3.661 -1.712) 4.042 4.580 ( 0.000 3.380 -6.979) 7.755 4.659 ( 0.000 0.171 1.832) 1.840 4.788 ( 0.000 8.973 4.208) 9.911 4.799 ( 0.000 -1.675 2.596) 3.090 4.804 ( 0.000 3.459 -1.982) 3.986 4.864 ( 0.000 -0.294 -3.699) 3.710 4.950 ( 0.000 4.728 1.485) 4.956 5.012 ( 0.000 4.274 -1.346) 4.481 5.027 ( 0.000 4.123 1.795) 4.496 5.046 ( 0.000 -3.337 -5.244) 6.216 5.129 ( 0.000 2.110 0.171) 2.117 5.162 ( 0.000 -0.234 1.670) 1.686 5.269 ( 0.000 -3.481 -4.055) 5.344 5.314 ( 0.000 -3.042 -6.365) 7.054 5.386 ( 0.000 -1.652 0.182) 1.662 5.395 ( 0.000 5.146 -3.909) 6.462 5.419 ( 0.000 2.670 -3.783) 4.630 5.543 ( 0.000 -1.374 -4.414) 4.623 5.654 ( 0.000 -0.020 -0.727) 0.728 5.663 ( 0.000 2.556 1.865) 3.164 5.767 ( 0.000 5.155 6.309) 8.147 5.934 ( 0.000 0.110 2.459) 2.462 5.987 ( 0.000 -6.255 5.407) 8.268 6.046 ( 0.000 -4.513 -2.848) 5.336 6.173 ( 0.000 2.753 -5.136) 5.827 6.312 ( 0.000 -4.252 -2.208) 4.791 6.491 ( 0.000 2.299 -1.247) 2.616 6.498 ( 0.000 1.979 3.510) 4.029 6.546 ( 0.000 2.729 7.582) 8.059 6.595 ( 0.000 -0.090 -2.676) 2.677 6.674 ( 0.000 -0.462 -3.609) 3.638 6.723 ( 0.000 -2.178 -1.923) 2.906 6.797 ( 0.000 0.432 1.988) 2.034 6.888 ( 0.000 -2.723 1.560) 3.138 7.430 ( 0.000 6.542 -2.046) 6.854 7.480 ( 0.000 4.359 1.629) 4.654 7.615 ( 0.000 2.584 0.142) 2.588 7.632 ( 0.000 2.972 -0.375) 2.995 7.762 ( 0.000 6.092 5.088) 7.937 7.780 ( 0.000 4.062 3.050) 5.080 7.859 ( 0.000 3.246 1.392) 3.532 7.959 ( 0.000 -2.373 -0.200) 2.381 8.326 ( 0.000 4.183 3.678) 5.570 8.462 ( 0.000 -1.627 -0.557) 1.720 8.927 ( 0.000 2.184 1.550) 2.678 8.992 ( 0.000 1.412 1.289) 1.912 9.034 ( 0.000 -1.654 0.474) 1.720 9.092 ( 0.000 -3.898 -1.486) 4.171 9.248 ( 0.000 -0.499 -5.950) 5.971 9.300 ( 0.000 -5.969 -4.345) 7.383 9.489 ( 0.000 -4.760 0.499) 4.786 9.515 ( 0.000 1.022 3.720) 3.857 9.666 ( 0.000 -9.443 1.595) 9.577 9.827 ( 0.000 -11.253 0.027) 11.253 10.336 ( 0.000 -0.677 0.569) 0.885 10.348 ( 0.000 -2.173 -0.088) 2.175 10.631 ( 0.000 4.694 -0.444) 4.715 10.665 ( 0.000 -0.611 5.581) 5.614 10.743 ( 0.000 -0.626 -2.544) 2.620 10.763 ( 0.000 -0.602 0.435) 0.742 10.815 ( 0.000 -2.136 2.847) 3.560 10.839 ( 0.000 0.698 0.380) 0.795 10.889 ( 0.000 -1.467 3.386) 3.690 10.985 ( 0.000 2.540 -1.254) 2.833 11.007 ( 0.000 -16.893 -0.322) 16.896 11.113 ( 0.000 2.700 -1.135) 2.929 11.137 ( 0.000 -3.921 -2.541) 4.672 11.336 ( 0.000 -9.132 -4.347) 10.114 12.730 ( 0.000 4.678 0.250) 4.685 12.838 ( 0.000 -0.452 -4.348) 4.371 12.945 ( 0.000 0.086 0.087) 0.122 12.971 ( 0.000 -1.788 0.484) 1.853 13.852 ( 0.000 1.966 0.927) 2.174 13.872 ( 0.000 2.530 -1.808) 3.110 14.010 ( 0.000 1.937 -0.675) 2.051 14.034 ( 0.000 -1.274 0.985) 1.611 14.101 ( 0.000 3.106 0.427) 3.135 14.150 ( 0.000 3.510 3.247) 4.781 14.219 ( 0.000 -1.877 -2.575) 3.186 14.290 ( 0.000 -0.173 0.336) 0.377 14.408 ( 0.000 -0.141 2.709) 2.713 14.429 ( 0.000 -1.631 2.632) 3.097 14.582 ( 0.000 0.699 -2.128) 2.240 14.601 ( 0.000 -0.703 -3.071) 3.150 15.252 ( 0.000 -0.511 3.757) 3.792 15.273 ( 0.000 -1.602 3.786) 4.111 15.567 ( 0.000 -0.287 -3.575) 3.586 15.576 ( 0.000 -1.075 -4.025) 4.166 15.706 ( 0.000 0.012 2.592) 2.592 15.719 ( 0.000 -0.297 2.860) 2.876 15.889 ( 0.000 1.480 -0.261) 1.503 15.909 ( 0.000 0.548 -0.030) 0.549 16.507 ( 0.000 0.810 0.802) 1.140 16.523 ( 0.000 0.033 -0.112) 0.117 16.564 ( 0.000 -0.993 -0.703) 1.217 16.577 ( 0.000 -0.991 -1.490) 1.790 16.635 ( 0.000 -0.034 0.205) 0.208 16.663 ( 0.000 -1.174 -0.654) 1.343 16.719 ( 0.000 2.076 0.619) 2.166 16.792 ( 0.000 -0.849 -1.486) 1.711 17.877 ( 0.000 1.641 -1.820) 2.450 17.906 ( 0.000 0.132 -2.316) 2.320 18.169 ( 0.000 2.988 0.477) 3.026 18.225 ( 0.000 0.152 -0.257) 0.298 18.428 ( 0.000 1.121 -1.700) 2.036 18.436 ( 0.000 1.199 -2.801) 3.047 18.594 ( 0.000 4.034 2.497) 4.745 18.687 ( 0.000 -0.636 0.312) 0.708 19.855 ( 0.000 5.054 3.502) 6.149 19.987 ( 0.000 6.714 7.946) 10.403 20.078 ( 0.000 -7.013 -0.417) 7.025 20.253 ( 0.000 -5.578 5.986) 8.182 21.069 ( 0.000 7.557 -12.057) 14.230 21.445 ( 0.000 -11.183 -14.410) 18.240 21.551 ( 0.000 5.887 11.401) 12.831 21.810 ( 0.000 -7.373 3.344) 8.096 27.939 ( 0.000 1.053 -2.397) 2.618 27.979 ( 0.000 0.415 -2.963) 2.992 27.991 ( 0.000 -1.495 -3.668) 3.961 28.009 ( 0.000 -0.711 -3.302) 3.377 28.255 ( 0.000 -0.086 6.006) 6.007 28.279 ( 0.000 -0.510 5.978) 5.999 28.372 ( 0.000 -4.120 1.240) 4.303 28.386 ( 0.000 -5.670 0.560) 5.697 28.689 ( 0.000 0.248 2.026) 2.041 28.700 ( 0.000 0.039 2.047) 2.048 28.814 ( 0.000 -1.884 -0.758) 2.031 28.826 ( 0.000 -2.324 -0.473) 2.372 29.296 ( 0.000 1.341 -1.280) 1.854 29.348 ( 0.000 -1.743 -3.007) 3.475 29.509 ( 0.000 0.177 5.806) 5.809 29.593 ( 0.000 -4.215 7.265) 8.399 29.772 ( 0.000 5.250 2.274) 5.721 29.937 ( 0.000 -1.378 -0.566) 1.490 30.184 ( 0.000 4.438 -6.022) 7.480 30.340 ( 0.000 -1.654 -2.978) 3.407 30.449 ( 0.000 2.745 0.495) 2.790 30.535 ( 0.000 -1.619 -3.351) 3.721 30.559 ( 0.000 3.694 0.836) 3.788 30.620 ( 0.000 1.806 -2.026) 2.714 31.353 ( 0.000 -2.966 1.141) 3.178 31.370 ( 0.000 -4.026 0.028) 4.026 31.819 ( 0.000 -0.817 2.928) 3.039 31.888 ( 0.000 -2.841 -0.830) 2.960 32.256 ( 0.000 7.256 -0.812) 7.301 32.399 ( 0.000 2.400 -3.851) 4.537 32.526 ( 0.000 -0.849 0.112) 0.856 32.529 ( 0.000 1.684 -0.448) 1.742 ======================= Grid point 61 (26/45) ======================= q-point: ( 0.25 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( 2.100 3.133 -1.682) 4.130 1.691 ( 5.528 1.284 6.331) 8.503 1.808 ( 5.430 6.122 10.159) 13.045 1.877 ( 3.588 -0.906 5.130) 6.325 1.931 ( 10.574 2.461 1.451) 10.953 2.030 ( 0.809 2.570 1.526) 3.097 2.134 ( -0.335 1.750 1.443) 2.293 2.224 ( 1.454 1.183 3.762) 4.203 2.262 ( 1.309 -0.171 0.589) 1.446 2.291 ( 0.836 -0.393 2.378) 2.551 2.335 ( -3.549 -3.873 -0.635) 5.291 2.389 ( 2.945 -1.833 2.090) 4.050 2.458 ( 0.878 1.317 -3.807) 4.123 2.538 ( 2.428 1.036 -0.502) 2.687 2.595 ( 3.925 1.806 3.453) 5.531 2.608 ( 0.045 0.930 -0.134) 0.941 2.710 ( 5.034 1.668 5.007) 7.293 2.749 ( 2.568 0.507 -0.741) 2.720 2.857 ( 3.569 2.882 -3.622) 5.845 2.900 ( 2.730 -1.778 0.343) 3.276 2.964 ( 0.821 -3.610 3.496) 5.092 2.991 ( 0.203 4.536 -2.957) 5.418 3.080 ( -1.596 -1.218 0.725) 2.134 3.120 ( -0.827 -0.922 -0.113) 1.243 3.155 ( -0.324 -1.221 0.963) 1.588 3.216 ( -0.259 -2.433 3.027) 3.892 3.304 ( -0.107 1.988 -3.077) 3.665 3.373 ( -4.128 -1.217 3.434) 5.506 3.462 ( -8.904 2.054 -0.720) 9.166 3.562 ( -3.251 4.361 6.768) 8.683 3.645 ( 0.394 4.014 -0.797) 4.111 3.701 ( -1.123 4.572 -0.136) 4.710 3.819 ( 3.037 0.401 2.712) 4.091 3.891 ( 2.893 0.297 0.041) 2.909 3.928 ( 1.972 0.964 -1.257) 2.530 3.987 ( -3.608 5.230 5.017) 8.095 4.047 ( 1.382 2.708 -3.442) 4.593 4.125 ( 1.156 0.283 -0.032) 1.191 4.179 ( 0.870 2.759 -0.341) 2.913 4.204 ( -0.039 -1.579 -3.795) 4.111 4.262 ( -1.565 0.384 -3.655) 3.995 4.330 ( -2.950 0.697 -3.538) 4.659 4.458 ( 0.157 -2.079 -1.105) 2.360 4.500 ( -0.690 -0.047 -4.291) 4.347 4.582 ( -4.600 1.633 -0.845) 4.954 4.652 ( -3.912 8.846 4.527) 10.680 4.691 ( -3.328 6.058 -0.018) 6.912 4.744 ( -5.123 2.383 -0.141) 5.652 4.793 ( -6.748 1.714 -0.359) 6.971 4.842 ( -1.393 2.084 -0.676) 2.596 4.872 ( -1.041 2.347 2.248) 3.413 4.968 ( -1.684 3.169 1.476) 3.880 5.024 ( 0.865 0.885 -2.039) 2.385 5.074 ( 2.347 0.627 -0.596) 2.501 5.144 ( 0.529 0.767 1.275) 1.579 5.187 ( -1.130 1.463 -0.809) 2.018 5.252 ( -1.174 -2.628 -2.947) 4.119 5.322 ( 0.733 0.129 -5.666) 5.714 5.376 ( -1.345 -0.015 -2.353) 2.711 5.395 ( 0.235 3.028 -5.663) 6.426 5.437 ( 3.987 -0.582 -3.524) 5.353 5.534 ( -1.793 1.757 -1.720) 3.044 5.664 ( 1.289 0.498 -1.682) 2.177 5.676 ( 1.654 2.075 -1.116) 2.878 5.838 ( 4.865 -0.494 5.466) 7.335 5.914 ( -1.896 -1.236 -2.401) 3.300 5.977 ( 1.280 -0.733 2.861) 3.219 6.074 ( -2.614 0.022 -5.607) 6.187 6.176 ( 3.011 -2.398 1.504) 4.133 6.321 ( 0.859 -3.881 -2.760) 4.839 6.451 ( -2.211 1.837 -0.733) 2.967 6.484 ( -1.868 1.974 3.282) 4.262 6.539 ( -0.940 1.999 6.120) 6.506 6.588 ( 0.945 0.411 -1.031) 1.458 6.675 ( -0.673 -1.806 3.020) 3.583 6.727 ( -1.683 -0.773 -1.397) 2.320 6.757 ( -3.153 -0.808 -0.436) 3.284 6.966 ( 8.869 -0.556 3.091) 9.409 7.398 ( -6.750 4.463 -4.931) 9.476 7.458 ( 0.207 4.130 0.473) 4.162 7.600 ( -1.104 5.738 1.991) 6.173 7.640 ( 0.803 2.149 -2.577) 3.450 7.707 ( -1.337 4.640 5.137) 7.051 7.845 ( 2.577 3.401 -0.683) 4.322 7.917 ( 6.424 4.797 5.580) 9.768 8.046 ( 8.352 -2.567 -0.312) 8.743 8.259 ( -6.832 4.344 4.067) 9.060 8.406 ( -5.932 -2.026 -0.402) 6.282 8.906 ( -1.359 2.162 -0.031) 2.554 9.008 ( 0.972 1.810 3.452) 4.017 9.040 ( 0.500 -2.529 -1.596) 3.032 9.113 ( 1.742 -3.596 0.096) 3.997 9.235 ( -1.018 -1.858 -5.758) 6.135 9.311 ( 0.775 -5.136 -6.030) 7.959 9.473 ( -0.941 -4.478 3.207) 5.588 9.548 ( 2.171 -0.897 3.178) 3.952 9.754 ( 8.824 -7.112 0.808) 11.363 9.894 ( 6.891 -10.074 -0.665) 12.223 10.232 ( -9.482 -1.404 1.321) 9.676 10.277 ( -7.332 -3.361 -0.348) 8.073 10.638 ( 0.795 3.251 -0.163) 3.351 10.696 ( 2.392 -0.009 2.873) 3.739 10.740 ( -1.702 0.234 -0.666) 1.842 10.762 ( 0.360 -0.269 0.252) 0.515 10.783 ( -0.975 -1.534 1.260) 2.212 10.851 ( -0.444 0.874 1.378) 1.691 10.896 ( -0.053 -1.648 3.012) 3.434 10.943 ( -2.387 -5.996 4.425) 7.825 11.005 ( 2.057 0.230 -1.294) 2.441 11.105 ( -1.705 -3.560 -2.452) 4.647 11.188 ( 2.804 -5.430 -5.525) 8.239 11.355 ( 1.684 -10.281 -2.537) 10.722 12.714 ( -0.697 2.432 0.339) 2.552 12.840 ( -1.601 0.026 2.394) 2.880 12.945 ( 3.596 1.558 -4.675) 6.100 13.053 ( 4.375 -0.618 -2.460) 5.057 13.822 ( -1.435 1.164 0.141) 1.853 13.901 ( 1.096 0.993 -0.787) 1.675 13.982 ( -2.075 1.632 0.052) 2.640 14.012 ( -1.538 0.742 1.046) 2.003 14.103 ( -0.185 3.021 0.761) 3.121 14.140 ( -0.690 4.125 3.700) 5.584 14.221 ( 0.022 -1.739 -2.909) 3.389 14.288 ( -0.151 -1.575 -0.656) 1.713 14.410 ( 0.245 0.252 3.221) 3.241 14.425 ( -0.279 -1.030 2.555) 2.769 14.578 ( -0.329 0.222 -2.464) 2.496 14.596 ( -0.422 -0.376 -2.506) 2.569 15.223 ( -1.422 -1.125 2.203) 2.853 15.308 ( 2.044 -0.857 5.615) 6.037 15.518 ( -2.352 -0.994 -5.332) 5.912 15.623 ( 2.059 -0.649 -3.065) 3.749 15.715 ( 0.866 0.041 3.450) 3.557 15.723 ( 0.343 -0.089 2.914) 2.935 15.874 ( -1.238 1.018 -1.239) 2.026 15.913 ( 0.196 0.973 -0.092) 0.997 16.503 ( -0.289 0.597 0.671) 0.943 16.515 ( -0.701 -0.037 0.311) 0.768 16.563 ( -0.007 -0.509 -1.398) 1.487 16.578 ( 0.164 -1.025 -0.870) 1.355 16.614 ( -1.188 -0.584 -0.007) 1.324 16.673 ( 0.090 0.239 2.633) 2.645 16.743 ( 2.092 0.069 -3.021) 3.675 16.817 ( 1.990 -0.258 -1.016) 2.249 17.899 ( 2.137 1.418 -2.823) 3.814 17.929 ( 2.176 0.417 -3.131) 3.836 18.135 ( -3.104 2.658 1.274) 4.281 18.189 ( -3.141 0.903 1.345) 3.535 18.395 ( -0.712 1.219 -2.370) 2.759 18.503 ( 3.655 0.734 -2.341) 4.402 18.586 ( -0.806 3.310 2.000) 3.950 18.685 ( -0.176 -0.242 0.515) 0.595 19.859 ( 0.416 4.848 3.048) 5.741 19.980 ( -0.640 6.886 8.273) 10.783 20.074 ( -0.347 -6.386 -1.299) 6.526 20.247 ( -0.498 -5.483 7.034) 8.932 21.068 ( -0.058 7.544 -12.083) 14.245 21.450 ( 0.434 -11.445 -14.649) 18.594 21.549 ( -0.140 5.981 11.362) 12.841 21.811 ( 0.096 -7.474 3.447) 8.231 27.931 ( -0.572 0.453 -3.025) 3.112 27.973 ( -0.952 -1.104 -4.258) 4.500 27.986 ( 0.433 0.718 -2.035) 2.201 28.027 ( 1.016 -0.859 -2.760) 3.064 28.247 ( -0.492 -0.079 6.148) 6.168 28.286 ( 0.455 -0.458 6.011) 6.045 28.370 ( -0.036 -4.803 0.669) 4.849 28.391 ( 0.314 -5.137 0.797) 5.208 28.682 ( -0.494 0.105 1.843) 1.911 28.702 ( 0.062 0.220 2.556) 2.566 28.814 ( 0.046 -2.176 -1.131) 2.453 28.833 ( 0.451 -2.062 -0.409) 2.151 29.302 ( 0.468 0.324 -1.578) 1.677 29.369 ( 1.978 -1.170 -3.611) 4.280 29.490 ( -1.355 -0.375 6.127) 6.286 29.626 ( 2.443 -2.022 7.100) 7.777 29.798 ( 3.121 4.230 1.899) 5.589 29.943 ( 0.318 -1.030 -0.021) 1.078 30.139 ( -5.068 3.148 -4.204) 7.298 30.226 ( -8.960 0.096 -1.440) 9.076 30.388 ( -5.198 2.415 -2.475) 6.243 30.497 ( -0.963 -1.379 -5.468) 5.721 30.540 ( -1.199 3.818 2.118) 4.528 30.636 ( 0.461 2.119 -0.791) 2.308 31.483 ( 11.179 -2.687 1.745) 11.629 31.530 ( 12.885 -4.865 0.414) 13.779 31.797 ( -2.149 -0.834 2.130) 3.139 31.892 ( -0.741 -3.703 -0.317) 3.789 32.259 ( 1.025 7.289 -0.799) 7.404 32.385 ( -1.318 2.791 -3.826) 4.916 32.473 ( -5.070 1.846 -0.790) 5.453 32.495 ( -2.932 -0.999 -0.563) 3.148 ======================= Grid point 62 (27/45) ======================= q-point: (-0.50 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( 0.000 0.394 -5.175) 5.190 1.735 ( 0.000 -1.777 6.912) 7.137 1.806 ( 0.000 -3.704 3.931) 5.401 1.895 ( 0.000 0.350 8.664) 8.671 2.007 ( 0.000 4.308 -1.670) 4.621 2.091 ( -0.000 2.628 1.296) 2.930 2.199 ( -0.000 3.520 5.109) 6.204 2.224 ( 0.000 0.191 -2.814) 2.821 2.252 ( 0.000 -4.671 0.115) 4.673 2.283 ( -0.000 -0.423 4.169) 4.190 2.317 ( 0.000 -1.588 0.941) 1.846 2.441 ( 0.000 4.463 12.214) 13.004 2.469 ( -0.000 7.117 2.729) 7.623 2.581 ( 0.000 -1.227 4.178) 4.355 2.617 ( 0.000 3.221 -7.281) 7.961 2.662 ( -0.000 3.437 9.304) 9.918 2.750 ( 0.000 4.327 -0.050) 4.328 2.787 ( 0.000 0.361 1.080) 1.139 2.914 ( 0.000 -0.744 -0.676) 1.005 2.954 ( -0.000 2.969 -0.846) 3.087 3.023 ( -0.000 2.412 -2.696) 3.618 3.029 ( 0.000 -1.735 0.945) 1.975 3.047 ( 0.000 -0.485 0.817) 0.950 3.123 ( 0.000 -3.399 1.532) 3.728 3.185 ( -0.000 -3.424 -0.785) 3.513 3.210 ( 0.000 -0.184 1.954) 1.962 3.240 ( 0.000 -2.830 -0.364) 2.853 3.313 ( 0.000 1.856 0.654) 1.968 3.334 ( 0.000 4.687 -3.230) 5.692 3.517 ( 0.000 2.512 0.940) 2.682 3.623 ( -0.000 -4.722 -0.541) 4.753 3.672 ( 0.000 8.015 -4.318) 9.104 3.793 ( 0.000 5.011 -2.454) 5.579 3.868 ( 0.000 7.174 -1.354) 7.301 3.987 ( -0.000 -1.591 -1.481) 2.174 4.023 ( 0.000 -0.031 -4.041) 4.041 4.086 ( -0.000 4.427 6.847) 8.154 4.118 ( 0.000 -0.769 3.112) 3.206 4.191 ( 0.000 -1.337 -2.853) 3.150 4.199 ( -0.000 -3.646 -3.920) 5.353 4.268 ( -0.000 6.228 -6.145) 8.749 4.339 ( 0.000 -0.989 5.028) 5.124 4.386 ( -0.000 -3.871 3.879) 5.481 4.495 ( 0.000 -0.650 -0.270) 0.704 4.536 ( -0.000 -0.178 -0.926) 0.943 4.580 ( -0.000 -2.007 -0.600) 2.094 4.600 ( 0.000 8.423 2.134) 8.689 4.706 ( 0.000 6.146 -0.261) 6.152 4.738 ( 0.000 10.237 1.335) 10.324 4.833 ( 0.000 1.784 2.972) 3.466 4.881 ( 0.000 1.769 -4.604) 4.932 4.945 ( 0.000 3.045 2.563) 3.980 5.056 ( 0.000 1.851 -1.810) 2.589 5.097 ( 0.000 1.210 3.272) 3.488 5.137 ( 0.000 -0.680 -1.066) 1.264 5.160 ( 0.000 2.640 1.302) 2.944 5.270 ( -0.000 4.301 -3.930) 5.826 5.271 ( 0.000 -5.194 -1.682) 5.459 5.396 ( -0.000 -2.810 -7.842) 8.331 5.402 ( 0.000 3.679 -7.829) 8.650 5.492 ( 0.000 -0.622 -3.350) 3.407 5.509 ( 0.000 0.755 1.444) 1.630 5.663 ( 0.000 3.165 2.123) 3.811 5.707 ( 0.000 1.211 -6.283) 6.399 5.895 ( 0.000 -6.759 2.346) 7.154 5.915 ( 0.000 3.258 -4.324) 5.414 5.993 ( 0.000 0.259 0.495) 0.558 5.998 ( -0.000 1.670 -6.035) 6.261 6.229 ( 0.000 -5.692 2.880) 6.379 6.339 ( 0.000 -1.424 -2.193) 2.615 6.429 ( 0.000 1.466 -1.385) 2.017 6.439 ( 0.000 4.341 7.962) 9.069 6.546 ( 0.000 -0.461 5.725) 5.744 6.605 ( 0.000 -0.112 -6.404) 6.405 6.656 ( 0.000 -1.808 7.550) 7.763 6.705 ( 0.000 0.094 0.367) 0.379 6.715 ( 0.000 -1.941 -0.261) 1.959 7.125 ( 0.000 2.482 18.172) 18.341 7.256 ( 0.000 1.432 -20.300) 20.350 7.470 ( 0.000 3.234 -0.393) 3.258 7.587 ( 0.000 6.905 2.613) 7.383 7.655 ( 0.000 2.269 -4.233) 4.803 7.691 ( 0.000 4.788 4.635) 6.664 7.869 ( 0.000 4.710 0.842) 4.785 8.070 ( 0.000 3.504 4.335) 5.574 8.105 ( -0.000 5.079 5.289) 7.333 8.204 ( -0.000 -2.546 -1.707) 3.065 8.276 ( 0.000 -2.787 0.933) 2.939 8.892 ( 0.000 2.188 -1.000) 2.405 9.019 ( 0.000 2.402 4.932) 5.486 9.045 ( 0.000 -3.297 -3.206) 4.599 9.134 ( 0.000 -3.614 1.468) 3.901 9.223 ( 0.000 -2.638 -6.110) 6.655 9.320 ( 0.000 -4.858 -7.501) 8.937 9.463 ( 0.000 -4.809 4.767) 6.771 9.571 ( 0.000 -1.794 3.458) 3.895 9.913 ( -0.000 -6.230 -1.057) 6.319 10.046 ( 0.000 -5.491 -3.944) 6.761 10.047 ( -0.000 -4.057 4.592) 6.127 10.142 ( -0.000 -4.802 0.803) 4.869 10.653 ( 0.000 0.917 -0.421) 1.009 10.705 ( 0.000 2.550 0.877) 2.696 10.732 ( 0.000 -0.167 1.167) 1.179 10.758 ( -0.000 1.372 -1.370) 1.939 10.779 ( 0.000 -2.551 0.127) 2.554 10.848 ( 0.000 -0.924 6.279) 6.347 10.877 ( -0.000 0.741 1.798) 1.945 10.935 ( 0.000 -2.473 5.589) 6.112 11.054 ( 0.000 -2.358 -2.267) 3.271 11.063 ( -0.000 -2.814 -1.441) 3.161 11.212 ( 0.000 -6.648 -7.986) 10.391 11.376 ( 0.000 -11.387 -1.110) 11.441 12.710 ( 0.000 1.152 0.435) 1.231 12.819 ( 0.000 0.260 5.161) 5.168 12.996 ( 0.000 2.958 -7.603) 8.158 13.097 ( 0.000 0.169 -3.266) 3.270 13.810 ( 0.000 -0.428 -0.865) 0.965 13.897 ( 0.000 -0.966 1.797) 2.040 13.980 ( 0.000 3.390 -1.383) 3.662 13.984 ( -0.000 1.500 1.786) 2.332 14.098 ( 0.000 3.355 1.345) 3.615 14.133 ( 0.000 4.390 3.971) 5.919 14.219 ( 0.000 -1.248 -3.328) 3.554 14.286 ( 0.000 -3.280 -1.266) 3.516 14.415 ( 0.000 0.671 3.713) 3.773 14.422 ( 0.000 -0.435 2.279) 2.320 14.575 ( 0.000 -0.319 -2.823) 2.841 14.591 ( 0.000 0.003 -1.940) 1.940 15.209 ( 0.000 -1.226 1.502) 1.939 15.331 ( 0.000 -0.596 6.961) 6.986 15.493 ( 0.000 -1.271 -6.633) 6.754 15.643 ( 0.000 -0.716 -2.865) 2.953 15.726 ( 0.000 0.127 2.055) 2.059 15.729 ( -0.000 0.130 5.620) 5.621 15.858 ( 0.000 0.791 -2.565) 2.684 15.915 ( 0.000 1.128 -0.233) 1.152 16.501 ( 0.000 0.317 0.243) 0.399 16.506 ( 0.000 0.008 0.950) 0.950 16.563 ( 0.000 -0.137 -1.723) 1.728 16.582 ( 0.000 -1.024 -0.791) 1.294 16.600 ( 0.000 -0.780 0.390) 0.872 16.673 ( 0.000 0.563 3.555) 3.600 16.767 ( 0.000 -0.733 -4.293) 4.355 16.840 ( 0.000 -0.036 -0.887) 0.888 17.931 ( 0.000 1.112 -4.765) 4.893 17.960 ( 0.000 0.689 -4.805) 4.854 18.092 ( 0.000 2.789 3.192) 4.238 18.148 ( 0.000 1.041 3.437) 3.591 18.391 ( 0.000 1.237 -2.441) 2.736 18.554 ( 0.000 0.700 -6.000) 6.041 18.565 ( 0.000 2.399 5.154) 5.685 18.683 ( 0.000 0.224 0.760) 0.792 19.865 ( 0.000 4.583 2.469) 5.206 19.972 ( 0.000 7.134 8.735) 11.278 20.070 ( 0.000 -5.751 -2.175) 6.148 20.241 ( 0.000 -5.442 8.054) 9.720 21.068 ( 0.000 7.532 -12.110) 14.261 21.455 ( 0.000 -11.736 -14.936) 18.995 21.547 ( 0.000 6.120 11.386) 12.927 21.812 ( 0.000 -7.572 3.545) 8.360 27.925 ( 0.000 0.085 -3.413) 3.414 27.964 ( 0.000 -1.259 -4.424) 4.600 27.991 ( 0.000 1.200 -1.578) 1.983 28.037 ( 0.000 -0.875 -2.406) 2.560 28.242 ( 0.000 -0.063 6.238) 6.239 28.291 ( 0.000 -0.396 6.098) 6.111 28.370 ( 0.000 -5.355 0.159) 5.357 28.394 ( 0.000 -4.740 0.968) 4.838 28.676 ( 0.000 0.030 1.773) 1.774 28.702 ( 0.000 0.328 2.930) 2.949 28.815 ( 0.000 -2.330 -1.421) 2.729 28.838 ( 0.000 -1.933 -0.408) 1.975 29.307 ( 0.000 -0.441 -1.783) 1.836 29.397 ( 0.000 -1.104 -4.967) 5.089 29.473 ( 0.000 -0.217 6.732) 6.736 29.653 ( 0.000 0.241 7.116) 7.120 29.890 ( 0.000 3.100 0.287) 3.113 29.902 ( 0.000 0.432 2.500) 2.537 30.064 ( 0.000 -1.146 -2.666) 2.902 30.122 ( -0.000 1.932 -0.920) 2.140 30.335 ( 0.000 3.788 -5.024) 6.292 30.493 ( 0.000 -2.351 -7.088) 7.468 30.526 ( 0.000 4.731 3.724) 6.021 30.639 ( 0.000 2.221 -0.129) 2.225 31.655 ( 0.000 -3.126 3.181) 4.460 31.666 ( -0.000 -2.621 3.060) 4.029 31.787 ( 0.000 -4.781 -1.340) 4.965 31.835 ( -0.000 -2.311 -0.102) 2.314 32.304 ( 0.000 6.365 -1.956) 6.658 32.347 ( -0.000 4.111 0.500) 4.141 32.403 ( 0.000 2.758 -4.076) 4.921 32.457 ( 0.000 -2.273 -1.475) 2.710 ======================= Grid point 65 (28/45) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( 0.000 -2.475 7.929) 8.307 1.652 ( 0.000 2.475 7.929) 8.307 1.762 ( 0.000 -3.833 1.174) 4.009 1.762 ( 0.000 3.833 1.174) 4.009 2.044 ( 0.000 -8.989 11.129) 14.306 2.044 ( 0.000 8.989 11.129) 14.306 2.170 ( 0.000 -4.534 -1.184) 4.686 2.170 ( 0.000 4.534 -1.184) 4.686 2.228 ( 0.000 -0.862 1.154) 1.440 2.228 ( 0.000 0.862 1.154) 1.440 2.360 ( 0.000 -1.103 -2.737) 2.951 2.360 ( 0.000 1.103 -2.737) 2.951 2.492 ( 0.000 -0.001 -10.170) 10.170 2.492 ( 0.000 0.001 -10.170) 10.170 2.561 ( 0.000 -1.849 1.123) 2.164 2.561 ( 0.000 1.849 1.123) 2.164 2.699 ( 0.000 -0.191 -1.843) 1.853 2.699 ( 0.000 0.191 -1.843) 1.853 2.789 ( 0.000 -4.286 -0.423) 4.307 2.789 ( 0.000 4.286 -0.423) 4.307 3.044 ( 0.000 -2.330 2.752) 3.606 3.044 ( 0.000 2.330 2.752) 3.606 3.077 ( 0.000 -0.012 0.685) 0.686 3.077 ( 0.000 0.012 0.685) 0.686 3.164 ( 0.000 -0.374 2.081) 2.114 3.164 ( 0.000 0.374 2.081) 2.114 3.446 ( 0.000 -0.352 7.644) 7.652 3.446 ( 0.000 0.352 7.644) 7.652 3.511 ( 0.000 -6.171 4.953) 7.913 3.511 ( 0.000 6.171 4.953) 7.913 3.668 ( 0.000 -2.474 7.408) 7.810 3.668 ( 0.000 2.474 7.408) 7.810 3.892 ( 0.000 -0.008 1.000) 1.000 3.892 ( 0.000 0.008 1.000) 1.000 3.958 ( 0.000 -4.701 -2.954) 5.552 3.958 ( 0.000 4.701 -2.954) 5.552 4.147 ( 0.000 -3.218 -6.461) 7.218 4.147 ( 0.000 3.218 -6.461) 7.218 4.191 ( 0.000 -4.867 -1.042) 4.977 4.191 ( 0.000 4.867 -1.042) 4.977 4.304 ( 0.000 -0.457 -5.154) 5.174 4.304 ( 0.000 0.457 -5.154) 5.174 4.559 ( 0.000 -1.017 -4.227) 4.347 4.559 ( 0.000 1.017 -4.227) 4.347 4.647 ( 0.000 -1.784 -4.248) 4.607 4.647 ( 0.000 1.784 -4.248) 4.607 4.806 ( 0.000 -3.389 -1.764) 3.820 4.806 ( 0.000 3.389 -1.764) 3.820 4.886 ( 0.000 -0.612 3.210) 3.267 4.886 ( 0.000 0.612 3.210) 3.267 4.969 ( 0.000 -4.620 1.153) 4.761 4.969 ( 0.000 4.620 1.153) 4.761 5.082 ( 0.000 -1.344 0.138) 1.351 5.082 ( 0.000 1.344 0.138) 1.351 5.156 ( 0.000 -0.860 1.111) 1.405 5.156 ( 0.000 0.860 1.111) 1.405 5.244 ( 0.000 -1.836 -1.545) 2.400 5.244 ( 0.000 1.836 -1.545) 2.400 5.425 ( 0.000 -3.059 -2.676) 4.064 5.425 ( 0.000 3.059 -2.676) 4.064 5.470 ( 0.000 -2.106 -5.011) 5.435 5.470 ( 0.000 2.106 -5.011) 5.435 5.694 ( 0.000 -1.146 0.001) 1.146 5.694 ( 0.000 1.146 0.001) 1.146 5.869 ( 0.000 -5.800 6.142) 8.448 5.869 ( 0.000 5.800 6.142) 8.448 5.954 ( 0.000 -2.509 1.215) 2.788 5.954 ( 0.000 2.509 1.215) 2.788 6.239 ( 0.000 -3.491 -5.166) 6.235 6.239 ( 0.000 3.491 -5.166) 6.235 6.517 ( 0.000 -0.014 1.948) 1.948 6.517 ( 0.000 0.014 1.948) 1.948 6.586 ( 0.000 -1.071 3.918) 4.062 6.586 ( 0.000 1.071 3.918) 4.062 6.683 ( 0.000 -1.147 -3.201) 3.400 6.683 ( 0.000 1.147 -3.201) 3.400 6.832 ( 0.000 -2.359 -0.086) 2.360 6.832 ( 0.000 2.359 -0.086) 2.360 7.516 ( 0.000 -1.338 -1.742) 2.196 7.516 ( 0.000 1.338 -1.742) 2.196 7.648 ( 0.000 -0.752 -0.095) 0.758 7.648 ( 0.000 0.752 -0.095) 0.758 7.830 ( 0.000 -0.003 1.018) 1.018 7.830 ( 0.000 0.003 1.018) 1.018 7.914 ( 0.000 -2.315 5.464) 5.934 7.914 ( 0.000 2.315 5.464) 5.934 8.407 ( 0.000 -3.899 2.176) 4.465 8.407 ( 0.000 3.899 2.176) 4.465 8.974 ( 0.000 -2.263 0.361) 2.292 8.974 ( 0.000 2.263 0.361) 2.292 9.037 ( 0.000 -1.479 -0.696) 1.634 9.037 ( 0.000 1.479 -0.696) 1.634 9.244 ( 0.000 -0.172 -6.330) 6.333 9.244 ( 0.000 0.172 -6.330) 6.333 9.464 ( 0.000 -2.448 3.774) 4.498 9.464 ( 0.000 2.448 3.774) 4.498 9.653 ( 0.000 -6.292 -1.026) 6.376 9.653 ( 0.000 6.292 -1.026) 6.376 10.329 ( 0.000 -0.048 -0.003) 0.048 10.329 ( 0.000 0.048 -0.003) 0.048 10.708 ( 0.000 -0.226 -0.063) 0.234 10.708 ( 0.000 0.226 -0.063) 0.234 10.724 ( 0.000 -1.993 0.813) 2.152 10.724 ( 0.000 1.993 0.813) 2.152 10.785 ( 0.000 -1.925 3.914) 4.361 10.785 ( 0.000 1.925 3.914) 4.361 10.862 ( 0.000 -1.256 2.233) 2.562 10.862 ( 0.000 1.256 2.233) 2.562 11.058 ( 0.000 -4.355 -2.239) 4.897 11.058 ( 0.000 4.355 -2.239) 4.897 11.190 ( 0.000 -5.708 -3.412) 6.650 11.190 ( 0.000 5.708 -3.412) 6.650 12.808 ( 0.000 -2.457 -2.043) 3.195 12.808 ( 0.000 2.457 -2.043) 3.195 12.949 ( 0.000 -0.120 0.137) 0.182 12.949 ( 0.000 0.120 0.137) 0.182 13.885 ( 0.000 -0.812 -1.383) 1.604 13.885 ( 0.000 0.812 -1.383) 1.604 14.023 ( 0.000 -0.021 0.942) 0.943 14.023 ( 0.000 0.021 0.942) 0.943 14.152 ( 0.000 -2.286 -1.051) 2.516 14.152 ( 0.000 2.286 -1.051) 2.516 14.251 ( 0.000 -3.491 2.651) 4.383 14.251 ( 0.000 3.491 2.651) 4.383 14.410 ( 0.000 -0.380 2.608) 2.636 14.410 ( 0.000 0.380 2.608) 2.636 14.592 ( 0.000 -0.347 -2.688) 2.710 14.592 ( 0.000 0.347 -2.688) 2.710 15.252 ( 0.000 -0.201 3.466) 3.472 15.252 ( 0.000 0.201 3.466) 3.472 15.565 ( 0.000 -0.018 -3.910) 3.910 15.565 ( 0.000 0.018 -3.910) 3.910 15.712 ( 0.000 -0.417 2.919) 2.948 15.712 ( 0.000 0.417 2.919) 2.948 15.909 ( 0.000 -0.437 -0.147) 0.461 15.909 ( 0.000 0.437 -0.147) 0.461 16.521 ( 0.000 -0.517 0.540) 0.748 16.521 ( 0.000 0.517 0.540) 0.748 16.559 ( 0.000 -0.620 -1.158) 1.314 16.559 ( 0.000 0.620 -1.158) 1.314 16.643 ( 0.000 -0.548 -0.149) 0.568 16.643 ( 0.000 0.548 -0.149) 0.568 16.761 ( 0.000 -1.931 -0.439) 1.980 16.761 ( 0.000 1.931 -0.439) 1.980 17.900 ( 0.000 -0.698 -2.365) 2.466 17.900 ( 0.000 0.698 -2.365) 2.466 18.212 ( 0.000 -1.362 0.428) 1.428 18.212 ( 0.000 1.362 0.428) 1.428 18.443 ( 0.000 -0.068 -1.968) 1.970 18.443 ( 0.000 0.068 -1.968) 1.970 18.657 ( 0.000 -2.405 1.368) 2.767 18.657 ( 0.000 2.405 1.368) 2.767 19.957 ( 0.000 -5.818 1.188) 5.938 19.957 ( 0.000 5.818 1.188) 5.938 20.125 ( 0.000 -7.400 8.320) 11.135 20.125 ( 0.000 7.400 8.320) 11.135 21.240 ( 0.000 -10.107 -14.485) 17.662 21.240 ( 0.000 10.107 -14.485) 17.662 21.672 ( 0.000 -6.894 7.222) 9.984 21.672 ( 0.000 6.894 7.222) 9.984 27.960 ( 0.000 -1.156 -2.792) 3.022 27.960 ( 0.000 1.156 -2.792) 3.022 27.995 ( 0.000 -0.609 -3.954) 4.001 27.995 ( 0.000 0.609 -3.954) 4.001 28.267 ( 0.000 -0.907 5.118) 5.198 28.267 ( 0.000 0.907 5.118) 5.198 28.326 ( 0.000 -0.006 1.687) 1.687 28.326 ( 0.000 0.006 1.687) 1.687 28.697 ( 0.000 -0.286 1.667) 1.691 28.697 ( 0.000 0.286 1.667) 1.691 28.802 ( 0.000 -0.300 -0.331) 0.447 28.802 ( 0.000 0.300 -0.331) 0.447 29.321 ( 0.000 -1.093 -2.685) 2.899 29.321 ( 0.000 1.093 -2.685) 2.899 29.529 ( 0.000 -1.875 7.815) 8.037 29.529 ( 0.000 1.875 7.815) 8.037 29.874 ( 0.000 -4.785 1.553) 5.030 29.874 ( 0.000 4.785 1.553) 5.030 30.278 ( 0.000 -4.651 -6.082) 7.657 30.278 ( 0.000 4.651 -6.082) 7.657 30.494 ( 0.000 -2.220 -2.039) 3.015 30.494 ( 0.000 2.220 -2.039) 3.015 30.618 ( 0.000 -1.566 -0.450) 1.629 30.618 ( 0.000 1.566 -0.450) 1.629 31.326 ( 0.000 -0.356 0.839) 0.912 31.326 ( 0.000 0.356 0.839) 0.912 31.832 ( 0.000 -2.117 1.273) 2.470 31.832 ( 0.000 2.117 1.273) 2.470 32.371 ( 0.000 -4.463 -0.364) 4.478 32.371 ( 0.000 4.463 -0.364) 4.478 32.538 ( 0.000 -0.721 -1.519) 1.681 32.538 ( 0.000 0.721 -1.519) 1.681 ======================= Grid point 67 (29/45) ======================= q-point: ( 0.25 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( 2.233 0.000 3.008) 3.746 1.702 ( 1.444 0.000 7.553) 7.690 1.855 ( 2.819 0.000 3.771) 4.708 1.883 ( -1.170 0.000 -6.464) 6.569 1.990 ( 5.653 0.000 4.359) 7.139 2.065 ( 4.251 -0.000 1.751) 4.597 2.135 ( 1.299 0.000 9.458) 9.547 2.227 ( 3.179 0.000 2.004) 3.758 2.235 ( 1.866 -0.000 0.286) 1.887 2.276 ( -2.872 0.000 0.847) 2.994 2.312 ( -3.451 0.000 -2.596) 4.318 2.374 ( 4.346 0.000 6.334) 7.682 2.493 ( 9.702 0.000 -0.595) 9.720 2.542 ( 2.215 0.000 -0.908) 2.393 2.636 ( 2.197 0.000 -3.037) 3.748 2.661 ( 5.650 -0.000 3.759) 6.786 2.753 ( 6.633 -0.000 2.752) 7.182 2.760 ( 4.252 0.000 -9.143) 10.084 2.808 ( 4.140 -0.000 5.010) 6.499 2.838 ( 3.263 0.000 -0.384) 3.285 2.962 ( -2.072 0.000 2.715) 3.415 3.019 ( -3.839 0.000 2.815) 4.761 3.091 ( 0.344 0.000 0.036) 0.346 3.104 ( 1.625 -0.000 0.811) 1.816 3.138 ( -2.032 -0.000 1.690) 2.644 3.171 ( -0.194 0.000 2.896) 2.902 3.312 ( -2.625 0.000 3.139) 4.092 3.352 ( -6.712 0.000 2.386) 7.123 3.526 ( -3.681 0.000 -5.112) 6.300 3.555 ( -0.182 0.000 1.580) 1.591 3.684 ( -1.941 0.000 3.116) 3.672 3.749 ( -1.053 0.000 -0.716) 1.273 3.818 ( -0.788 0.000 0.357) 0.865 3.866 ( -0.106 0.000 -2.521) 2.524 3.991 ( 6.518 -0.000 2.113) 6.852 4.003 ( 0.944 0.000 -2.899) 3.049 4.080 ( -6.948 0.000 -0.023) 6.948 4.142 ( -5.032 0.000 -3.426) 6.088 4.184 ( 5.741 -0.000 -0.215) 5.745 4.198 ( -0.451 0.000 -0.127) 0.469 4.300 ( -2.617 -0.000 -2.940) 3.936 4.308 ( 4.011 0.000 -3.807) 5.529 4.483 ( -3.405 -0.000 -4.532) 5.669 4.502 ( -6.997 0.000 -4.680) 8.417 4.596 ( -4.080 0.000 -2.220) 4.645 4.659 ( -3.616 0.000 -0.209) 3.622 4.758 ( -8.632 -0.000 3.023) 9.146 4.784 ( -2.651 0.000 3.777) 4.614 4.870 ( 2.499 0.000 -3.876) 4.612 4.899 ( -3.138 -0.000 5.511) 6.342 4.925 ( -1.007 0.000 6.335) 6.415 4.951 ( 4.814 0.000 -4.677) 6.712 5.018 ( -0.643 0.000 -2.454) 2.537 5.113 ( -1.681 0.000 0.547) 1.767 5.151 ( -2.298 -0.000 -0.423) 2.336 5.190 ( -0.798 0.000 -2.666) 2.782 5.244 ( 4.617 0.000 2.063) 5.056 5.271 ( 1.972 0.000 -0.599) 2.061 5.376 ( -2.750 0.000 -0.622) 2.819 5.405 ( -1.114 0.000 -0.901) 1.433 5.468 ( 2.352 0.000 -4.389) 4.979 5.607 ( -4.830 0.000 -4.301) 6.468 5.616 ( 6.746 -0.000 -8.340) 10.727 5.699 ( 0.277 0.000 2.607) 2.622 5.805 ( -2.870 0.000 1.664) 3.317 5.921 ( 2.432 0.000 3.408) 4.187 5.982 ( 2.700 0.000 2.955) 4.003 6.038 ( 3.505 0.000 -0.860) 3.609 6.194 ( -3.856 0.000 -8.042) 8.919 6.261 ( 2.686 0.000 -2.377) 3.587 6.472 ( -2.301 0.000 2.157) 3.154 6.502 ( -0.576 0.000 -0.079) 0.581 6.563 ( -3.380 0.000 6.752) 7.551 6.595 ( 1.492 0.000 1.474) 2.097 6.654 ( -0.888 0.000 3.382) 3.497 6.722 ( -0.426 0.000 -1.643) 1.698 6.756 ( -4.385 0.000 -0.321) 4.396 6.959 ( 10.873 0.000 0.969) 10.916 7.445 ( -9.089 0.000 -3.801) 9.852 7.503 ( 0.066 0.000 -1.517) 1.519 7.662 ( 1.615 0.000 -3.738) 4.072 7.665 ( 0.341 0.000 1.419) 1.459 7.753 ( -2.291 0.000 5.795) 6.231 7.890 ( 2.584 0.000 -0.778) 2.699 7.963 ( 7.052 0.000 2.284) 7.413 8.024 ( 7.803 0.000 6.004) 9.845 8.334 ( -7.008 0.000 2.156) 7.332 8.357 ( -5.932 -0.000 2.648) 6.496 8.937 ( -1.527 0.000 -1.462) 2.114 9.004 ( 0.674 0.000 -1.042) 1.241 9.033 ( 1.067 0.000 0.904) 1.398 9.071 ( 1.783 0.000 0.833) 1.968 9.206 ( -2.005 0.000 -5.486) 5.841 9.269 ( 0.895 0.000 -7.776) 7.827 9.420 ( -1.527 0.000 4.416) 4.672 9.523 ( 2.244 0.000 3.836) 4.444 9.715 ( 7.952 0.000 -1.919) 8.180 9.768 ( 10.086 0.000 -0.341) 10.092 10.225 ( -9.711 0.000 0.328) 9.716 10.239 ( -8.737 0.000 0.072) 8.738 10.676 ( -1.596 0.000 -0.165) 1.605 10.719 ( 0.470 0.000 2.974) 3.011 10.727 ( 0.539 -0.000 1.685) 1.770 10.746 ( 0.837 0.000 -2.043) 2.208 10.771 ( -0.354 0.000 0.767) 0.844 10.819 ( 2.028 0.000 7.083) 7.368 10.877 ( 1.366 0.000 1.970) 2.397 10.885 ( 1.488 0.000 1.365) 2.019 11.040 ( -1.124 0.000 -2.108) 2.389 11.047 ( -1.160 0.000 -1.772) 2.118 11.154 ( -1.204 0.000 -5.322) 5.456 11.238 ( 2.048 0.000 -1.748) 2.692 12.742 ( -2.128 0.000 -0.449) 2.175 12.839 ( -1.358 0.000 3.309) 3.577 12.966 ( 5.082 0.000 -5.735) 7.663 13.044 ( 4.882 0.000 -2.457) 5.466 13.839 ( -2.669 0.000 -0.949) 2.833 13.899 ( -0.620 0.000 0.859) 1.059 14.010 ( -0.278 0.000 -0.165) 0.324 14.012 ( -1.078 -0.000 1.192) 1.608 14.151 ( 0.248 -0.000 -0.322) 0.406 14.166 ( 0.969 0.000 -1.126) 1.486 14.232 ( -1.546 0.000 2.361) 2.822 14.241 ( -1.303 0.000 2.059) 2.437 14.414 ( 0.448 0.000 2.048) 2.096 14.417 ( 0.506 0.000 2.930) 2.974 14.580 ( -0.739 0.000 -2.988) 3.078 14.594 ( -0.162 0.000 -2.096) 2.102 15.212 ( -1.535 0.000 1.803) 2.368 15.300 ( 2.270 0.000 5.425) 5.881 15.508 ( -2.565 0.000 -5.547) 6.111 15.617 ( 2.032 0.000 -3.244) 3.828 15.718 ( 0.833 0.000 4.483) 4.559 15.721 ( 0.592 -0.000 2.353) 2.426 15.884 ( -1.487 0.000 -1.289) 1.968 15.922 ( 0.398 0.000 -0.050) 0.402 16.513 ( -0.643 -0.000 0.143) 0.658 16.513 ( -0.613 0.000 0.709) 0.937 16.560 ( 0.069 0.000 -1.275) 1.277 16.564 ( 0.484 -0.000 -0.646) 0.807 16.610 ( -1.392 0.000 -0.253) 1.415 16.674 ( 0.789 0.000 2.383) 2.510 16.746 ( 0.583 0.000 -2.886) 2.944 16.812 ( 2.556 0.000 -0.240) 2.567 17.914 ( 1.760 0.000 -3.501) 3.918 17.933 ( 2.602 0.000 -3.089) 4.039 18.163 ( -3.389 0.000 1.314) 3.635 18.195 ( -2.642 0.000 1.880) 3.242 18.408 ( -0.703 0.000 -2.407) 2.508 18.510 ( 3.583 0.000 -2.097) 4.151 18.624 ( -2.047 0.000 1.744) 2.689 18.678 ( 0.712 0.000 1.111) 1.320 19.958 ( 0.174 -0.000 0.690) 0.711 19.960 ( 0.171 0.000 0.754) 0.774 20.107 ( -1.013 -0.000 8.338) 8.399 20.132 ( 0.099 0.000 9.207) 9.207 21.225 ( -0.592 0.000 -14.657) 14.669 21.257 ( 0.755 -0.000 -14.465) 14.484 21.664 ( -0.374 0.000 7.522) 7.531 21.681 ( 0.336 -0.000 7.016) 7.024 27.936 ( -1.110 0.000 -2.942) 3.144 27.959 ( -0.743 0.000 -4.964) 5.019 27.998 ( 0.813 0.000 -1.028) 1.310 28.014 ( 0.893 0.000 -4.203) 4.297 28.254 ( -0.548 0.000 5.512) 5.540 28.281 ( 0.663 0.000 4.810) 4.855 28.315 ( -0.490 0.000 1.330) 1.418 28.339 ( 0.543 0.000 1.635) 1.723 28.684 ( -0.605 0.000 1.417) 1.541 28.705 ( 0.223 0.000 2.358) 2.368 28.795 ( -0.145 0.000 -0.968) 0.979 28.815 ( 0.630 0.000 -0.119) 0.642 29.305 ( -0.351 0.000 -1.845) 1.878 29.359 ( 2.317 0.000 -4.004) 4.626 29.485 ( -1.603 0.000 7.449) 7.620 29.603 ( 4.320 0.000 7.869) 8.977 29.872 ( 1.055 0.000 1.067) 1.500 29.903 ( 1.935 0.000 2.204) 2.933 30.181 ( -9.099 0.000 -4.736) 10.258 30.222 ( -5.974 0.000 -2.887) 6.635 30.431 ( -2.855 0.000 -4.420) 5.262 30.453 ( -2.643 0.000 -6.273) 6.807 30.588 ( -0.761 0.000 1.925) 2.070 30.650 ( 0.548 0.000 0.453) 0.711 31.461 ( 11.473 0.000 1.152) 11.531 31.476 ( 12.261 0.000 1.467) 12.348 31.795 ( -2.749 0.000 0.612) 2.816 31.843 ( -0.754 0.000 1.530) 1.705 32.364 ( -0.302 0.000 -0.984) 1.029 32.374 ( 0.686 -0.000 -0.759) 1.023 32.485 ( -4.435 0.000 -1.838) 4.801 32.503 ( -3.899 0.000 -1.342) 4.124 ======================= Grid point 69 (30/45) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( 0.000 0.000 6.231) 6.231 1.712 ( 0.000 0.000 -10.043) 10.043 1.769 ( -0.000 0.000 3.948) 3.948 1.859 ( 0.000 0.000 3.871) 3.871 2.111 ( 0.000 0.000 2.659) 2.659 2.132 ( -0.000 0.000 1.565) 1.565 2.137 ( 0.000 -0.000 -5.686) 5.686 2.209 ( -0.000 0.000 0.527) 0.527 2.241 ( 0.000 0.000 3.943) 3.943 2.282 ( 0.000 0.000 4.493) 4.493 2.299 ( 0.000 0.000 1.895) 1.895 2.495 ( 0.000 0.000 14.941) 14.941 2.561 ( -0.000 0.000 2.687) 2.687 2.587 ( 0.000 0.000 6.464) 6.464 2.659 ( 0.000 -0.000 4.009) 4.009 2.673 ( -0.000 0.000 2.690) 2.690 2.792 ( -0.000 0.000 12.389) 12.389 2.836 ( 0.000 -0.000 0.835) 0.835 2.893 ( -0.000 -0.000 -7.265) 7.265 2.951 ( -0.000 0.000 1.086) 1.086 2.981 ( 0.000 0.000 -2.102) 2.102 3.026 ( -0.000 0.000 2.788) 2.788 3.090 ( 0.000 0.000 -0.173) 0.173 3.122 ( 0.000 -0.000 3.562) 3.562 3.128 ( -0.000 0.000 0.858) 0.858 3.154 ( 0.000 0.000 3.727) 3.727 3.223 ( 0.000 0.000 -3.955) 3.955 3.331 ( 0.000 0.000 -6.393) 6.393 3.419 ( 0.000 0.000 -11.988) 11.988 3.542 ( 0.000 0.000 -2.005) 2.005 3.605 ( 0.000 -0.000 -0.552) 0.552 3.653 ( 0.000 0.000 -6.007) 6.007 3.880 ( 0.000 -0.000 -0.562) 0.562 3.920 ( -0.000 0.000 2.562) 2.562 3.961 ( -0.000 0.000 -7.317) 7.317 3.979 ( 0.000 0.000 -2.994) 2.994 4.131 ( -0.000 -0.000 -8.127) 8.127 4.142 ( 0.000 0.000 6.009) 6.009 4.153 ( 0.000 0.000 0.638) 0.638 4.159 ( -0.000 0.000 1.326) 1.326 4.343 ( 0.000 0.000 -5.671) 5.671 4.364 ( 0.000 0.000 2.349) 2.349 4.433 ( 0.000 0.000 1.018) 1.018 4.444 ( 0.000 0.000 3.441) 3.441 4.521 ( 0.000 -0.000 1.782) 1.782 4.531 ( 0.000 0.000 -0.986) 0.986 4.662 ( -0.000 0.000 -3.059) 3.059 4.791 ( -0.000 0.000 7.247) 7.247 4.855 ( 0.000 0.000 3.123) 3.123 4.902 ( 0.000 0.000 7.419) 7.419 4.923 ( 0.000 0.000 -2.869) 2.869 5.023 ( 0.000 -0.000 -2.310) 2.310 5.035 ( 0.000 0.000 4.622) 4.622 5.059 ( -0.000 0.000 -3.519) 3.519 5.108 ( -0.000 0.000 -7.216) 7.216 5.214 ( 0.000 0.000 -1.538) 1.538 5.271 ( 0.000 0.000 1.673) 1.673 5.302 ( 0.000 0.000 -1.027) 1.027 5.336 ( 0.000 0.000 2.145) 2.145 5.395 ( 0.000 0.000 2.597) 2.597 5.524 ( 0.000 0.000 -6.682) 6.682 5.536 ( -0.000 0.000 -4.675) 4.675 5.673 ( 0.000 -0.000 -9.320) 9.320 5.701 ( 0.000 0.000 0.483) 0.483 5.814 ( 0.000 0.000 2.420) 2.420 5.944 ( 0.000 0.000 3.273) 3.273 5.986 ( 0.000 0.000 -4.498) 4.498 6.066 ( 0.000 0.000 -5.594) 5.594 6.151 ( 0.000 0.000 -3.994) 3.994 6.312 ( 0.000 0.000 -0.962) 0.962 6.453 ( 0.000 0.000 0.984) 0.984 6.505 ( -0.000 -0.000 7.912) 7.912 6.510 ( 0.000 0.000 3.776) 3.776 6.604 ( 0.000 0.000 -6.998) 6.998 6.649 ( 0.000 0.000 9.975) 9.975 6.705 ( 0.000 0.000 -0.283) 0.283 6.709 ( 0.000 0.000 0.774) 0.774 7.152 ( -0.000 0.000 20.248) 20.248 7.269 ( 0.000 0.000 -22.717) 22.717 7.508 ( 0.000 0.000 -1.414) 1.414 7.665 ( 0.000 0.000 1.232) 1.232 7.679 ( 0.000 0.000 -4.662) 4.662 7.733 ( 0.000 0.000 6.289) 6.289 7.917 ( 0.000 0.000 0.542) 0.542 8.115 ( -0.000 0.000 0.998) 0.998 8.176 ( 0.000 0.000 3.615) 3.615 8.188 ( 0.000 0.000 3.291) 3.291 8.219 ( -0.000 -0.000 3.735) 3.735 8.922 ( 0.000 0.000 -2.381) 2.381 9.009 ( 0.000 0.000 -3.365) 3.365 9.049 ( 0.000 0.000 3.442) 3.442 9.090 ( 0.000 0.000 1.545) 1.545 9.183 ( 0.000 0.000 -5.428) 5.428 9.278 ( 0.000 0.000 -8.735) 8.735 9.405 ( 0.000 0.000 5.190) 5.190 9.543 ( 0.000 0.000 3.223) 3.223 9.851 ( 0.000 0.000 -1.582) 1.582 9.989 ( 0.000 0.000 -4.684) 4.684 10.009 ( -0.000 0.000 4.951) 4.951 10.100 ( 0.000 0.000 0.163) 0.163 10.660 ( 0.000 0.000 0.400) 0.400 10.726 ( 0.000 0.000 3.132) 3.132 10.732 ( 0.000 0.000 2.170) 2.170 10.753 ( 0.000 0.000 -1.838) 1.838 10.768 ( 0.000 0.000 -0.154) 0.154 10.844 ( 0.000 0.000 8.304) 8.304 10.890 ( 0.000 0.000 0.655) 0.655 10.901 ( 0.000 -0.000 0.788) 0.788 11.028 ( 0.000 0.000 -1.878) 1.878 11.034 ( 0.000 0.000 -1.260) 1.260 11.143 ( 0.000 0.000 -6.160) 6.160 11.258 ( 0.000 0.000 -1.097) 1.097 12.724 ( 0.000 0.000 0.491) 0.491 12.823 ( 0.000 0.000 4.630) 4.630 13.028 ( 0.000 0.000 -7.902) 7.902 13.096 ( 0.000 0.000 -4.391) 4.391 13.807 ( 0.000 0.000 0.132) 0.132 13.884 ( 0.000 0.000 2.864) 2.864 14.000 ( 0.000 0.000 1.086) 1.086 14.013 ( 0.000 0.000 -1.164) 1.164 14.156 ( 0.000 0.000 0.754) 0.754 14.182 ( 0.000 0.000 -1.728) 1.728 14.208 ( -0.000 0.000 2.789) 2.789 14.222 ( 0.000 -0.000 1.104) 1.104 14.420 ( 0.000 0.000 1.722) 1.722 14.423 ( 0.000 0.000 2.994) 2.994 14.571 ( 0.000 0.000 -3.030) 3.030 14.591 ( 0.000 0.000 -1.768) 1.768 15.198 ( 0.000 0.000 1.091) 1.091 15.325 ( 0.000 0.000 6.893) 6.893 15.481 ( 0.000 0.000 -7.020) 7.020 15.636 ( 0.000 0.000 -3.092) 3.092 15.727 ( 0.000 0.000 2.244) 2.244 15.731 ( 0.000 0.000 5.967) 5.967 15.866 ( 0.000 0.000 -2.657) 2.657 15.925 ( 0.000 0.000 -0.194) 0.194 16.506 ( 0.000 0.000 0.079) 0.079 16.506 ( 0.000 0.000 0.697) 0.697 16.561 ( 0.000 0.000 -1.197) 1.197 16.572 ( 0.000 0.000 -0.605) 0.605 16.594 ( 0.000 0.000 0.062) 0.062 16.679 ( 0.000 0.000 3.708) 3.708 16.757 ( 0.000 0.000 -4.117) 4.117 16.839 ( 0.000 0.000 -0.343) 0.343 17.940 ( 0.000 0.000 -5.343) 5.343 17.968 ( 0.000 0.000 -4.845) 4.845 18.120 ( 0.000 0.000 3.136) 3.136 18.156 ( 0.000 0.000 3.981) 3.981 18.404 ( 0.000 0.000 -2.596) 2.596 18.561 ( 0.000 0.000 -5.656) 5.656 18.589 ( 0.000 0.000 5.328) 5.328 18.684 ( 0.000 0.000 0.974) 0.974 19.961 ( 0.000 0.000 0.062) 0.062 19.962 ( 0.000 -0.000 0.324) 0.324 20.096 ( 0.000 -0.000 8.756) 8.756 20.132 ( 0.000 0.000 9.819) 9.819 21.219 ( 0.000 0.000 -14.765) 14.765 21.265 ( 0.000 -0.000 -14.510) 14.510 21.660 ( 0.000 0.000 7.685) 7.685 21.684 ( 0.000 -0.000 6.950) 6.950 27.925 ( 0.000 0.000 -3.161) 3.161 27.951 ( 0.000 0.000 -5.292) 5.292 28.007 ( 0.000 0.000 -0.263) 0.263 28.023 ( 0.000 0.000 -4.059) 4.059 28.248 ( 0.000 0.000 5.662) 5.662 28.289 ( 0.000 0.000 5.079) 5.079 28.309 ( 0.000 0.000 0.672) 0.672 28.344 ( 0.000 0.000 1.543) 1.543 28.678 ( 0.000 0.000 1.414) 1.414 28.707 ( 0.000 0.000 2.768) 2.768 28.794 ( 0.000 0.000 -1.352) 1.352 28.821 ( 0.000 0.000 -0.125) 0.125 29.302 ( 0.000 0.000 -1.530) 1.530 29.387 ( 0.000 0.000 -5.122) 5.122 29.468 ( 0.000 0.000 7.432) 7.432 29.655 ( 0.000 0.000 7.783) 7.783 29.907 ( 0.000 0.000 2.548) 2.548 29.930 ( 0.000 0.000 2.547) 2.547 30.046 ( -0.000 0.000 -5.511) 5.511 30.141 ( -0.000 0.000 -0.842) 0.842 30.407 ( 0.000 0.000 -5.978) 5.978 30.431 ( 0.000 -0.000 -8.202) 8.202 30.579 ( 0.000 0.000 2.937) 2.937 30.653 ( 0.000 0.000 1.112) 1.112 31.620 ( 0.000 0.000 3.524) 3.524 31.642 ( 0.000 0.000 3.341) 3.341 31.737 ( 0.000 0.000 -1.757) 1.757 31.808 ( 0.000 0.000 0.379) 0.379 32.371 ( 0.000 0.000 -1.799) 1.799 32.408 ( -0.000 0.000 -0.277) 0.277 32.419 ( 0.000 -0.000 -1.846) 1.846 32.429 ( 0.000 -0.000 -2.145) 2.145 ======================= Grid point 90 (31/45) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( 0.000 0.000 28.592) 28.592 1.194 ( 0.000 0.000 27.078) 27.078 1.553 ( 0.000 0.000 -7.888) 7.888 1.615 ( 0.000 0.000 -16.958) 16.958 1.798 ( 0.000 0.000 5.734) 5.734 1.956 ( 0.000 0.000 11.454) 11.454 1.964 ( 0.000 0.000 -10.055) 10.055 2.144 ( 0.000 0.000 -6.294) 6.294 2.156 ( 0.000 0.000 4.214) 4.214 2.156 ( 0.000 0.000 17.863) 17.863 2.238 ( 0.000 0.000 -3.494) 3.494 2.279 ( 0.000 0.000 -4.862) 4.862 2.341 ( 0.000 0.000 13.301) 13.301 2.348 ( 0.000 0.000 0.576) 0.576 2.465 ( 0.000 0.000 -15.902) 15.902 2.517 ( 0.000 0.000 -2.939) 2.939 2.589 ( 0.000 0.000 -1.704) 1.704 2.642 ( 0.000 0.000 -4.323) 4.323 2.756 ( 0.000 0.000 9.604) 9.604 2.856 ( 0.000 0.000 6.193) 6.193 2.923 ( 0.000 0.000 -2.076) 2.076 2.952 ( 0.000 0.000 -1.372) 1.372 3.062 ( 0.000 0.000 6.270) 6.270 3.100 ( 0.000 0.000 3.433) 3.433 3.152 ( 0.000 0.000 -4.029) 4.029 3.203 ( 0.000 0.000 -6.252) 6.252 3.265 ( 0.000 0.000 8.022) 8.022 3.451 ( 0.000 0.000 2.477) 2.477 3.484 ( 0.000 0.000 4.567) 4.567 3.496 ( 0.000 0.000 0.597) 0.597 3.520 ( 0.000 0.000 -11.855) 11.855 3.702 ( 0.000 0.000 -21.545) 21.545 3.762 ( 0.000 0.000 11.993) 11.993 3.885 ( 0.000 0.000 10.852) 10.852 4.036 ( 0.000 0.000 -1.960) 1.960 4.043 ( 0.000 0.000 9.248) 9.248 4.047 ( 0.000 0.000 -13.091) 13.091 4.086 ( 0.000 0.000 3.743) 3.743 4.179 ( 0.000 0.000 0.314) 0.314 4.204 ( 0.000 0.000 -1.044) 1.044 4.260 ( 0.000 0.000 1.695) 1.695 4.276 ( 0.000 0.000 0.933) 0.933 4.343 ( 0.000 0.000 8.801) 8.801 4.395 ( 0.000 0.000 -0.010) 0.010 4.440 ( 0.000 0.000 0.119) 0.119 4.507 ( 0.000 0.000 -5.849) 5.849 4.603 ( 0.000 0.000 -6.761) 6.761 4.619 ( 0.000 0.000 -6.492) 6.492 4.732 ( 0.000 0.000 11.694) 11.694 4.877 ( 0.000 0.000 2.952) 2.952 4.884 ( 0.000 0.000 -0.620) 0.620 4.904 ( 0.000 0.000 -4.544) 4.544 4.949 ( 0.000 0.000 5.026) 5.026 5.020 ( 0.000 0.000 3.274) 3.274 5.085 ( 0.000 0.000 -9.819) 9.819 5.087 ( 0.000 0.000 2.563) 2.563 5.258 ( 0.000 0.000 -7.270) 7.270 5.258 ( 0.000 0.000 0.994) 0.994 5.271 ( 0.000 0.000 -5.257) 5.257 5.277 ( 0.000 0.000 -2.226) 2.226 5.414 ( 0.000 0.000 3.162) 3.162 5.517 ( 0.000 0.000 -6.486) 6.486 5.668 ( 0.000 0.000 -1.764) 1.764 5.668 ( 0.000 0.000 -1.554) 1.554 5.746 ( 0.000 0.000 0.129) 0.129 5.756 ( 0.000 0.000 -1.416) 1.416 5.933 ( 0.000 0.000 -2.225) 2.225 5.952 ( 0.000 0.000 -3.792) 3.792 6.293 ( 0.000 0.000 10.030) 10.030 6.416 ( 0.000 0.000 6.393) 6.393 6.488 ( 0.000 0.000 -10.302) 10.302 6.490 ( 0.000 0.000 8.244) 8.244 6.518 ( 0.000 0.000 -4.466) 4.466 6.657 ( 0.000 0.000 -9.856) 9.856 6.661 ( 0.000 0.000 1.136) 1.136 6.678 ( 0.000 0.000 -0.789) 0.789 6.943 ( 0.000 0.000 4.890) 4.890 7.001 ( 0.000 0.000 -1.555) 1.555 7.168 ( 0.000 0.000 2.027) 2.027 7.212 ( 0.000 0.000 -1.752) 1.752 7.461 ( 0.000 0.000 1.457) 1.457 7.468 ( 0.000 0.000 0.940) 0.940 7.633 ( 0.000 0.000 2.479) 2.479 7.667 ( 0.000 0.000 -1.049) 1.049 7.999 ( 0.000 0.000 3.297) 3.297 8.061 ( 0.000 0.000 -3.298) 3.298 8.208 ( 0.000 0.000 2.575) 2.575 8.286 ( 0.000 0.000 -5.443) 5.443 9.091 ( 0.000 0.000 8.045) 8.045 9.148 ( 0.000 0.000 0.573) 0.573 9.213 ( 0.000 0.000 3.452) 3.452 9.291 ( 0.000 0.000 -4.632) 4.632 9.358 ( 0.000 0.000 9.085) 9.085 9.557 ( 0.000 0.000 -10.438) 10.438 9.591 ( 0.000 0.000 11.959) 11.959 9.786 ( 0.000 0.000 -8.865) 8.865 10.227 ( 0.000 0.000 8.497) 8.497 10.395 ( 0.000 0.000 -9.548) 9.548 10.422 ( 0.000 0.000 4.950) 4.950 10.522 ( 0.000 0.000 -5.600) 5.600 10.591 ( 0.000 0.000 5.780) 5.780 10.688 ( 0.000 0.000 1.777) 1.777 10.693 ( 0.000 0.000 -4.838) 4.838 10.723 ( 0.000 0.000 -2.020) 2.020 10.847 ( 0.000 0.000 2.546) 2.546 10.872 ( 0.000 0.000 -0.546) 0.546 10.893 ( 0.000 0.000 9.992) 9.992 11.052 ( 0.000 0.000 3.803) 3.803 11.088 ( 0.000 0.000 -9.612) 9.612 11.096 ( 0.000 0.000 7.145) 7.145 11.134 ( 0.000 0.000 -3.800) 3.800 11.239 ( 0.000 0.000 -8.437) 8.437 12.738 ( 0.000 0.000 7.382) 7.382 12.876 ( 0.000 0.000 -7.121) 7.121 12.986 ( 0.000 0.000 0.264) 0.264 12.997 ( 0.000 0.000 -1.234) 1.234 13.742 ( 0.000 0.000 -0.310) 0.310 13.746 ( 0.000 0.000 -0.929) 0.929 13.821 ( 0.000 0.000 8.478) 8.478 13.938 ( 0.000 0.000 -1.791) 1.791 14.040 ( 0.000 0.000 4.577) 4.577 14.103 ( 0.000 0.000 -2.763) 2.763 14.123 ( 0.000 0.000 -7.360) 7.360 14.124 ( 0.000 0.000 -4.630) 4.630 14.444 ( 0.000 0.000 3.814) 3.814 14.509 ( 0.000 0.000 -3.025) 3.025 14.547 ( 0.000 0.000 5.439) 5.439 14.636 ( 0.000 0.000 -4.036) 4.036 15.461 ( 0.000 0.000 2.091) 2.091 15.466 ( 0.000 0.000 7.838) 7.838 15.508 ( 0.000 0.000 -2.866) 2.866 15.588 ( 0.000 0.000 -5.168) 5.168 15.775 ( 0.000 0.000 0.175) 0.175 15.776 ( 0.000 0.000 -0.015) 0.015 15.792 ( 0.000 0.000 0.693) 0.693 15.798 ( 0.000 0.000 -0.036) 0.036 16.546 ( 0.000 0.000 3.425) 3.425 16.606 ( 0.000 0.000 -2.624) 2.624 16.609 ( 0.000 0.000 0.929) 0.929 16.623 ( 0.000 0.000 -0.471) 0.471 16.624 ( 0.000 0.000 0.435) 0.435 16.645 ( 0.000 0.000 -2.175) 2.175 16.671 ( 0.000 0.000 -0.178) 0.178 16.674 ( 0.000 0.000 -0.544) 0.544 17.817 ( 0.000 0.000 1.753) 1.753 17.850 ( 0.000 0.000 -1.694) 1.694 17.981 ( 0.000 0.000 -0.432) 0.432 17.982 ( 0.000 0.000 -0.551) 0.551 18.372 ( 0.000 0.000 1.116) 1.116 18.389 ( 0.000 0.000 -0.661) 0.661 18.472 ( 0.000 0.000 4.078) 4.078 18.557 ( 0.000 0.000 -4.943) 4.943 19.810 ( 0.000 0.000 9.897) 9.897 19.995 ( 0.000 0.000 12.908) 12.908 20.009 ( 0.000 0.000 -11.174) 11.174 20.277 ( 0.000 0.000 -17.147) 17.147 21.470 ( 0.000 0.000 19.212) 19.212 21.574 ( 0.000 0.000 13.224) 13.224 21.783 ( 0.000 0.000 -9.293) 9.293 21.813 ( 0.000 0.000 -16.955) 16.955 27.914 ( 0.000 0.000 2.166) 2.166 27.965 ( 0.000 0.000 -3.217) 3.217 27.980 ( 0.000 0.000 0.955) 0.955 28.001 ( 0.000 0.000 -1.321) 1.321 28.430 ( 0.000 0.000 3.403) 3.403 28.456 ( 0.000 0.000 -0.202) 0.202 28.592 ( 0.000 0.000 0.751) 0.751 28.612 ( 0.000 0.000 -1.499) 1.499 28.873 ( 0.000 0.000 10.984) 10.984 29.041 ( 0.000 0.000 -6.207) 6.207 29.076 ( 0.000 0.000 7.692) 7.692 29.197 ( 0.000 0.000 -5.256) 5.256 29.303 ( 0.000 0.000 8.123) 8.123 29.413 ( 0.000 0.000 2.568) 2.568 29.455 ( 0.000 0.000 -1.942) 1.942 29.493 ( 0.000 0.000 -10.771) 10.771 29.850 ( 0.000 0.000 -0.188) 0.188 29.873 ( 0.000 0.000 -1.941) 1.941 30.193 ( 0.000 0.000 0.398) 0.398 30.197 ( 0.000 0.000 -0.101) 0.101 30.205 ( 0.000 0.000 -0.758) 0.758 30.205 ( 0.000 0.000 -0.944) 0.944 30.488 ( 0.000 0.000 1.339) 1.339 30.515 ( 0.000 0.000 -1.495) 1.495 31.627 ( 0.000 0.000 3.016) 3.016 31.679 ( 0.000 0.000 -2.367) 2.367 31.739 ( 0.000 0.000 4.507) 4.507 31.833 ( 0.000 0.000 -5.338) 5.338 31.869 ( 0.000 0.000 0.820) 0.820 31.898 ( 0.000 0.000 -2.077) 2.077 32.515 ( 0.000 0.000 3.644) 3.644 32.584 ( 0.000 0.000 -3.587) 3.587 ======================= Grid point 91 (32/45) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 8.940 0.000 23.340) 24.994 1.386 ( 16.069 0.000 23.849) 28.757 1.639 ( 1.886 0.000 -12.218) 12.363 1.695 ( -1.809 0.000 3.448) 3.894 1.796 ( 9.608 0.000 -4.708) 10.700 1.918 ( -2.980 0.000 7.679) 8.237 1.968 ( 1.037 0.000 -11.503) 11.550 2.074 ( -3.578 0.000 -5.650) 6.688 2.206 ( 2.729 0.000 5.735) 6.351 2.232 ( 3.607 0.000 1.775) 4.021 2.260 ( 1.905 0.000 -3.153) 3.683 2.284 ( 0.247 0.000 -2.728) 2.739 2.356 ( 1.595 0.000 -0.303) 1.623 2.393 ( 7.236 0.000 14.725) 16.407 2.461 ( -0.410 0.000 -11.744) 11.751 2.498 ( 0.822 0.000 0.985) 1.284 2.567 ( -3.208 0.000 -2.429) 4.024 2.592 ( 0.348 0.000 -2.018) 2.048 2.811 ( -4.374 0.000 7.207) 8.431 2.822 ( 5.884 0.000 10.820) 12.316 2.922 ( -3.858 0.000 -1.688) 4.212 2.984 ( 4.660 0.000 -2.482) 5.280 3.052 ( -1.028 0.000 4.422) 4.540 3.113 ( 1.793 0.000 2.708) 3.248 3.135 ( -2.290 0.000 -3.959) 4.574 3.185 ( 1.261 0.000 -3.850) 4.051 3.302 ( 3.182 0.000 10.265) 10.747 3.361 ( -8.129 0.000 4.438) 9.262 3.427 ( -7.816 0.000 -1.817) 8.024 3.487 ( 2.615 0.000 0.068) 2.616 3.628 ( 8.108 0.000 -4.934) 9.491 3.714 ( -6.996 0.000 11.897) 13.802 3.789 ( 8.465 0.000 -19.319) 21.092 3.862 ( -8.900 0.000 6.641) 11.104 3.896 ( -6.836 0.000 1.150) 6.932 4.006 ( -6.046 0.000 -0.001) 6.046 4.029 ( -0.603 0.000 6.927) 6.954 4.108 ( -3.911 0.000 -1.199) 4.090 4.119 ( 2.390 0.000 -0.652) 2.477 4.192 ( -1.828 0.000 -5.688) 5.975 4.302 ( 3.489 0.000 3.775) 5.140 4.342 ( -0.324 0.000 2.953) 2.971 4.346 ( 6.825 0.000 2.200) 7.170 4.398 ( 2.641 0.000 -2.267) 3.480 4.457 ( 1.863 0.000 -0.320) 1.890 4.522 ( 1.544 0.000 -6.115) 6.307 4.599 ( -0.387 0.000 -1.156) 1.219 4.666 ( 0.531 0.000 -4.924) 4.953 4.803 ( 5.595 0.000 8.635) 10.289 4.832 ( -3.005 0.000 3.900) 4.923 4.891 ( -0.526 0.000 -1.018) 1.146 4.912 ( -3.395 0.000 0.018) 3.395 4.914 ( 1.943 0.000 -2.952) 3.534 5.018 ( -2.986 0.000 0.807) 3.093 5.021 ( -4.038 0.000 -10.027) 10.809 5.076 ( 0.682 0.000 2.044) 2.155 5.173 ( -4.258 0.000 3.409) 5.454 5.181 ( -5.712 0.000 -2.031) 6.062 5.285 ( -0.197 0.000 -6.769) 6.772 5.295 ( 0.129 0.000 -7.896) 7.897 5.394 ( -1.600 0.000 4.226) 4.519 5.502 ( -1.342 0.000 -6.100) 6.246 5.535 ( -8.851 0.000 2.704) 9.255 5.619 ( -5.928 0.000 -6.608) 8.878 5.759 ( 2.473 0.000 2.561) 3.560 5.815 ( 4.194 0.000 -3.456) 5.434 5.899 ( -3.720 0.000 0.483) 3.751 5.940 ( -1.260 0.000 -4.095) 4.284 6.345 ( 4.339 0.000 10.657) 11.506 6.413 ( -0.212 0.000 6.410) 6.414 6.495 ( 2.565 0.000 5.613) 6.171 6.519 ( 0.792 0.000 -4.800) 4.864 6.565 ( 4.268 0.000 -8.664) 9.658 6.651 ( 0.778 0.000 -7.556) 7.596 6.721 ( 0.221 0.000 2.242) 2.252 6.741 ( 4.283 0.000 -0.437) 4.305 6.950 ( 3.173 0.000 2.369) 3.960 6.992 ( 0.737 0.000 -2.290) 2.406 7.137 ( -3.466 0.000 2.222) 4.117 7.191 ( -2.518 0.000 -2.691) 3.685 7.447 ( -0.504 0.000 2.757) 2.802 7.477 ( 0.756 0.000 -0.240) 0.793 7.572 ( -5.965 0.000 1.769) 6.222 7.583 ( -5.457 0.000 0.589) 5.488 8.024 ( 3.252 0.000 6.219) 7.018 8.134 ( 4.889 0.000 -5.968) 7.715 8.175 ( -3.216 0.000 3.772) 4.957 8.265 ( -2.052 0.000 -5.738) 6.094 9.096 ( 0.811 0.000 8.654) 8.692 9.175 ( 2.557 0.000 -0.761) 2.667 9.183 ( -2.820 0.000 5.879) 6.520 9.275 ( -1.685 0.000 -4.326) 4.643 9.395 ( 3.338 0.000 8.005) 8.673 9.546 ( -4.064 0.000 9.526) 10.357 9.569 ( 1.159 0.000 -9.183) 9.256 9.690 ( -6.443 0.000 -5.263) 8.320 10.279 ( 4.758 0.000 9.295) 10.442 10.404 ( -1.420 0.000 6.335) 6.492 10.461 ( 5.687 0.000 -10.066) 11.562 10.502 ( 0.725 0.000 -2.334) 2.444 10.656 ( 1.045 0.000 -0.377) 1.111 10.673 ( -2.776 0.000 0.275) 2.789 10.689 ( -0.547 0.000 -1.134) 1.259 10.722 ( 1.870 0.000 -5.978) 6.264 10.855 ( 1.049 0.000 4.164) 4.294 10.896 ( -0.116 0.000 9.085) 9.086 10.920 ( 3.636 0.000 -1.728) 4.026 11.058 ( -2.665 0.000 -3.512) 4.408 11.068 ( 1.517 0.000 4.026) 4.302 11.107 ( 0.198 0.000 2.768) 2.775 11.162 ( 2.885 0.000 -4.261) 5.146 11.252 ( 0.425 0.000 -8.959) 8.969 12.797 ( 5.118 0.000 6.254) 8.081 12.912 ( 3.307 0.000 -5.915) 6.777 12.954 ( -2.542 0.000 2.423) 3.512 13.002 ( -0.365 0.000 -2.689) 2.713 13.736 ( -0.051 0.000 0.615) 0.617 13.779 ( 3.113 0.000 -4.488) 5.462 13.793 ( -2.463 0.000 6.878) 7.306 13.923 ( -2.072 0.000 -5.156) 5.557 14.040 ( 0.021 0.000 5.158) 5.158 14.061 ( -2.047 0.000 1.158) 2.352 14.140 ( 1.302 0.000 -5.777) 5.922 14.152 ( 1.149 0.000 -7.404) 7.493 14.461 ( 1.664 0.000 4.096) 4.422 14.529 ( 2.040 0.000 -3.160) 3.761 14.534 ( -1.367 0.000 5.216) 5.392 14.619 ( -1.713 0.000 -3.860) 4.223 15.469 ( 0.668 0.000 3.541) 3.603 15.471 ( 0.447 0.000 7.441) 7.455 15.534 ( 2.224 0.000 -3.509) 4.154 15.586 ( -0.255 0.000 -4.897) 4.904 15.774 ( 0.035 0.000 0.151) 0.155 15.776 ( 0.009 0.000 -0.047) 0.048 15.786 ( -0.536 0.000 0.560) 0.775 15.791 ( -0.652 0.000 -0.042) 0.654 16.548 ( 0.296 0.000 3.273) 3.286 16.589 ( -1.604 0.000 1.947) 2.523 16.603 ( -0.042 0.000 -2.225) 2.225 16.620 ( -0.502 0.000 -1.216) 1.316 16.636 ( 0.910 0.000 0.237) 0.940 16.658 ( 1.141 0.000 -2.362) 2.623 16.664 ( -0.454 0.000 0.301) 0.545 16.684 ( 0.378 0.000 -1.967) 2.003 17.842 ( 2.499 0.000 1.650) 2.994 17.875 ( 2.345 0.000 -1.810) 2.962 17.956 ( -2.288 0.000 0.157) 2.293 17.968 ( -1.624 0.000 -1.048) 1.933 18.386 ( 1.430 0.000 1.827) 2.320 18.423 ( 3.177 0.000 -2.385) 3.972 18.457 ( -1.497 0.000 3.862) 4.142 18.539 ( -1.857 0.000 -4.932) 5.270 19.832 ( 2.270 0.000 10.051) 10.304 19.962 ( -3.206 0.000 12.094) 12.512 20.032 ( 2.513 0.000 -11.050) 11.332 20.214 ( -5.650 0.000 -14.342) 15.415 21.471 ( 0.163 0.000 19.343) 19.344 21.527 ( -3.316 0.000 17.145) 17.462 21.803 ( 1.131 0.000 -13.026) 13.075 21.813 ( 0.047 0.000 -16.863) 16.863 27.923 ( 0.906 0.000 2.041) 2.233 27.969 ( -1.047 0.000 1.198) 1.591 27.970 ( 0.514 0.000 -2.909) 2.954 27.995 ( -0.551 0.000 -1.599) 1.691 28.452 ( 2.216 0.000 3.908) 4.492 28.481 ( 2.437 0.000 -0.260) 2.451 28.572 ( -2.281 0.000 1.357) 2.654 28.587 ( -2.366 0.000 -0.367) 2.395 28.882 ( 1.063 0.000 11.832) 11.880 29.002 ( -5.465 0.000 13.497) 14.561 29.069 ( 2.943 0.000 -6.897) 7.499 29.214 ( -0.617 0.000 -9.318) 9.338 29.312 ( 0.958 0.000 6.541) 6.611 29.386 ( -2.504 0.000 1.965) 3.183 29.429 ( -1.288 0.000 -2.842) 3.121 29.478 ( -1.576 0.000 -10.501) 10.619 29.882 ( 3.837 0.000 1.225) 4.028 29.916 ( 4.140 0.000 -2.051) 4.621 30.148 ( -5.569 0.000 0.929) 5.646 30.164 ( -5.191 0.000 -0.856) 5.261 30.204 ( 0.760 0.000 0.246) 0.799 30.218 ( 1.280 0.000 -1.172) 1.736 30.327 ( -10.480 0.000 3.219) 10.963 30.365 ( -9.089 0.000 -1.106) 9.156 31.681 ( 3.047 0.000 2.497) 3.939 31.716 ( 2.425 0.000 -1.125) 2.673 31.733 ( -0.662 0.000 4.111) 4.163 31.816 ( -1.752 0.000 -4.611) 4.932 31.990 ( 13.394 0.000 5.963) 14.662 32.149 ( 17.871 0.000 -11.649) 21.333 32.448 ( -6.934 0.000 4.989) 8.542 32.550 ( -3.892 0.000 -5.804) 6.988 ======================= Grid point 92 (33/45) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( -9.607 0.000 15.912) 18.587 1.486 ( 9.607 0.000 15.912) 18.587 1.631 ( -1.109 0.000 7.868) 7.946 1.631 ( 1.109 0.000 7.868) 7.946 1.890 ( -0.030 0.000 -4.446) 4.446 1.890 ( 0.030 0.000 -4.446) 4.446 2.020 ( -1.797 0.000 -10.952) 11.098 2.020 ( 1.797 0.000 -10.952) 11.098 2.245 ( -1.222 0.000 2.064) 2.398 2.245 ( 1.222 0.000 2.064) 2.398 2.285 ( -0.199 0.000 -1.786) 1.797 2.285 ( 0.199 0.000 -1.786) 1.797 2.420 ( -3.069 0.000 -1.609) 3.465 2.420 ( 3.069 0.000 -1.609) 3.465 2.470 ( -1.120 0.000 -4.857) 4.984 2.470 ( 1.120 0.000 -4.857) 4.984 2.688 ( -8.265 0.000 7.817) 11.376 2.688 ( 8.265 0.000 7.817) 11.376 2.766 ( -12.540 0.000 2.129) 12.719 2.766 ( 12.540 0.000 2.129) 12.719 2.983 ( -9.110 0.000 4.152) 10.011 2.983 ( 9.110 0.000 4.152) 10.011 3.055 ( -3.822 0.000 -1.672) 4.172 3.055 ( 3.822 0.000 -1.672) 4.172 3.196 ( -7.158 0.000 3.729) 8.071 3.196 ( 7.158 0.000 3.729) 8.071 3.265 ( -5.906 0.000 -2.757) 6.518 3.265 ( 5.906 0.000 -2.757) 6.518 3.470 ( -15.450 0.000 13.899) 20.782 3.470 ( 15.450 0.000 13.899) 20.782 3.598 ( -8.962 0.000 1.752) 9.131 3.598 ( 8.962 0.000 1.752) 9.131 3.786 ( -7.471 0.000 0.319) 7.478 3.786 ( 7.471 0.000 0.319) 7.478 3.936 ( -4.440 0.000 -4.490) 6.315 3.936 ( 4.440 0.000 -4.490) 6.315 4.040 ( -2.591 0.000 -0.394) 2.621 4.040 ( 2.591 0.000 -0.394) 2.621 4.159 ( -0.406 0.000 -5.103) 5.119 4.159 ( 0.406 0.000 -5.103) 5.119 4.343 ( -0.043 0.000 2.709) 2.709 4.343 ( 0.043 0.000 2.709) 2.709 4.446 ( -0.044 0.000 -2.669) 2.669 4.446 ( 0.044 0.000 -2.669) 2.669 4.534 ( -3.488 0.000 1.109) 3.660 4.534 ( 3.488 0.000 1.109) 3.660 4.581 ( -6.443 0.000 -2.025) 6.754 4.581 ( 6.443 0.000 -2.025) 6.754 4.817 ( -0.592 0.000 2.530) 2.598 4.817 ( 0.592 0.000 2.530) 2.598 4.904 ( -3.123 0.000 -6.518) 7.227 4.904 ( 3.123 0.000 -6.518) 7.227 4.956 ( -0.411 0.000 1.801) 1.847 4.956 ( 0.411 0.000 1.801) 1.847 5.024 ( -4.535 0.000 -5.567) 7.180 5.024 ( 4.535 0.000 -5.567) 7.180 5.130 ( -0.067 0.000 6.299) 6.299 5.130 ( 0.067 0.000 6.299) 6.299 5.284 ( -0.035 0.000 -5.752) 5.752 5.284 ( 0.035 0.000 -5.752) 5.752 5.411 ( -3.673 0.000 1.828) 4.103 5.411 ( 3.673 0.000 1.828) 4.103 5.513 ( -2.762 0.000 -7.415) 7.912 5.513 ( 2.762 0.000 -7.415) 7.912 5.824 ( -1.533 0.000 2.809) 3.200 5.824 ( 1.533 0.000 2.809) 3.200 5.891 ( -0.795 0.000 -4.246) 4.320 5.891 ( 0.795 0.000 -4.246) 4.320 6.401 ( -0.222 0.000 8.321) 8.324 6.401 ( 0.222 0.000 8.321) 8.324 6.551 ( -0.212 0.000 -5.954) 5.957 6.551 ( 0.212 0.000 -5.954) 5.957 6.615 ( -4.786 0.000 6.113) 7.764 6.615 ( 4.786 0.000 6.113) 7.764 6.737 ( -5.153 0.000 -5.468) 7.514 6.737 ( 5.153 0.000 -5.468) 7.514 7.040 ( -3.885 0.000 2.171) 4.451 7.040 ( 3.885 0.000 2.171) 4.451 7.100 ( -2.577 0.000 -3.984) 4.745 7.100 ( 2.577 0.000 -3.984) 4.745 7.471 ( -3.177 0.000 3.408) 4.659 7.471 ( 3.177 0.000 3.408) 4.659 7.508 ( -2.681 0.000 -0.550) 2.736 7.508 ( 2.681 0.000 -0.550) 2.736 8.100 ( -4.336 0.000 5.907) 7.328 8.100 ( 4.336 0.000 5.907) 7.328 8.213 ( -3.040 0.000 -6.298) 6.993 8.213 ( 3.040 0.000 -6.298) 6.993 9.128 ( -1.125 0.000 8.592) 8.666 9.128 ( 1.125 0.000 8.592) 8.666 9.230 ( -1.572 0.000 -3.013) 3.398 9.230 ( 1.572 0.000 -3.013) 3.398 9.466 ( -1.686 0.000 7.281) 7.474 9.466 ( 1.686 0.000 7.281) 7.474 9.604 ( -1.037 0.000 -6.554) 6.636 9.604 ( 1.037 0.000 -6.554) 6.636 10.364 ( -1.971 0.000 9.026) 9.239 10.364 ( 1.971 0.000 9.026) 9.239 10.527 ( -0.010 0.000 -7.178) 7.178 10.527 ( 0.010 0.000 -7.178) 7.178 10.642 ( -0.139 0.000 1.426) 1.433 10.642 ( 0.139 0.000 1.426) 1.433 10.714 ( -0.539 0.000 -5.505) 5.532 10.714 ( 0.539 0.000 -5.505) 5.532 10.880 ( -1.202 0.000 6.418) 6.529 10.880 ( 1.202 0.000 6.418) 6.529 10.991 ( -2.555 0.000 -3.058) 3.985 10.991 ( 2.555 0.000 -3.058) 3.985 11.098 ( -0.126 0.000 4.556) 4.558 11.098 ( 0.126 0.000 4.556) 4.558 11.225 ( -0.329 0.000 -6.462) 6.471 11.225 ( 0.329 0.000 -6.462) 6.471 12.891 ( -1.763 0.000 4.875) 5.184 12.891 ( 1.763 0.000 4.875) 5.184 12.974 ( -0.754 0.000 -4.067) 4.136 12.974 ( 0.754 0.000 -4.067) 4.136 13.750 ( -0.304 0.000 3.459) 3.473 13.750 ( 0.304 0.000 3.459) 3.473 13.856 ( -1.859 0.000 -7.952) 8.167 13.856 ( 1.859 0.000 -7.952) 8.167 14.042 ( -0.013 0.000 5.348) 5.348 14.042 ( 0.013 0.000 5.348) 5.348 14.158 ( -0.026 0.000 -7.206) 7.206 14.158 ( 0.026 0.000 -7.206) 7.206 14.499 ( -2.004 0.000 4.688) 5.098 14.499 ( 2.004 0.000 4.688) 5.098 14.576 ( -2.570 0.000 -3.493) 4.336 14.576 ( 2.570 0.000 -3.493) 4.336 15.477 ( -0.000 0.000 5.965) 5.965 15.477 ( 0.000 0.000 5.965) 5.965 15.572 ( -0.307 0.000 -4.236) 4.247 15.572 ( 0.307 0.000 -4.236) 4.247 15.777 ( -0.231 0.000 0.167) 0.285 15.777 ( 0.231 0.000 0.167) 0.285 15.779 ( -0.072 0.000 -0.015) 0.074 15.779 ( 0.072 0.000 -0.015) 0.074 16.561 ( -1.142 0.000 2.830) 3.052 16.561 ( 1.142 0.000 2.830) 3.052 16.608 ( -0.320 0.000 -1.936) 1.963 16.608 ( 0.320 0.000 -1.936) 1.963 16.652 ( -0.203 0.000 0.432) 0.477 16.652 ( 0.203 0.000 0.432) 0.477 16.679 ( -0.203 0.000 -2.638) 2.646 16.679 ( 0.203 0.000 -2.638) 2.646 17.901 ( -1.656 0.000 0.978) 1.923 17.901 ( 1.656 0.000 0.978) 1.923 17.925 ( -1.006 0.000 -1.557) 1.854 17.925 ( 1.006 0.000 -1.557) 1.854 18.421 ( -0.487 0.000 3.063) 3.102 18.421 ( 0.487 0.000 3.063) 3.102 18.489 ( -1.161 0.000 -4.386) 4.537 18.489 ( 1.161 0.000 -4.386) 4.537 19.891 ( -3.303 0.000 10.751) 11.247 19.891 ( 3.303 0.000 10.751) 11.247 20.105 ( -4.427 0.000 -11.477) 12.301 20.105 ( 4.427 0.000 -11.477) 12.301 21.483 ( -0.079 0.000 19.326) 19.326 21.483 ( 0.079 0.000 19.326) 19.326 21.813 ( -0.001 0.000 -16.057) 16.057 21.813 ( 0.001 0.000 -16.057) 16.057 27.945 ( -0.778 0.000 1.676) 1.848 27.945 ( 0.778 0.000 1.676) 1.848 27.982 ( -0.239 0.000 -2.242) 2.255 27.982 ( 0.239 0.000 -2.242) 2.255 28.510 ( -3.441 0.000 3.760) 5.097 28.510 ( 3.441 0.000 3.760) 5.097 28.536 ( -2.756 0.000 -0.126) 2.759 28.536 ( 2.756 0.000 -0.126) 2.759 28.919 ( -2.496 0.000 14.111) 14.330 28.919 ( 2.496 0.000 14.111) 14.330 29.149 ( -3.788 0.000 -8.798) 9.579 29.149 ( 3.788 0.000 -8.798) 9.579 29.340 ( -0.535 0.000 3.557) 3.597 29.340 ( 0.535 0.000 3.557) 3.597 29.441 ( -0.361 0.000 -7.948) 7.957 29.441 ( 0.361 0.000 -7.948) 7.957 29.999 ( -5.785 0.000 1.848) 6.073 29.999 ( 5.785 0.000 1.848) 6.073 30.024 ( -5.510 0.000 -0.889) 5.582 30.024 ( 5.510 0.000 -0.889) 5.582 30.229 ( -0.485 0.000 1.265) 1.355 30.229 ( 0.485 0.000 1.265) 1.355 30.257 ( -1.606 0.000 -1.549) 2.231 30.257 ( 1.606 0.000 -1.549) 2.231 31.715 ( -0.281 0.000 3.051) 3.064 31.715 ( 0.281 0.000 3.051) 3.064 31.771 ( -2.506 0.000 -2.661) 3.655 31.771 ( 2.506 0.000 -2.661) 3.655 32.258 ( -9.210 0.000 6.955) 11.541 32.258 ( 9.210 0.000 6.955) 11.541 32.421 ( -5.774 0.000 -10.474) 11.960 32.421 ( 5.774 0.000 -10.474) 11.960 ======================= Grid point 95 (34/45) ======================= q-point: ( 0.00 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 0.000 6.782 24.238) 25.169 1.401 ( 0.000 16.442 24.006) 29.096 1.578 ( 0.000 2.492 -7.604) 8.002 1.795 ( 0.000 14.395 -15.767) 21.350 1.917 ( 0.000 7.783 13.018) 15.167 2.022 ( 0.000 -6.099 -3.803) 7.187 2.048 ( 0.000 10.665 -2.443) 10.942 2.072 ( 0.000 4.099 -4.991) 6.458 2.116 ( 0.000 -1.745 4.806) 5.113 2.243 ( 0.000 6.536 7.449) 9.910 2.262 ( 0.000 4.307 -4.509) 6.236 2.332 ( 0.000 1.317 1.624) 2.091 2.346 ( 0.000 1.243 -2.902) 3.157 2.443 ( 0.000 1.962 -11.122) 11.293 2.488 ( 0.000 10.471 9.485) 14.128 2.582 ( 0.000 6.207 -3.517) 7.134 2.589 ( 0.000 0.506 1.139) 1.246 2.710 ( 0.000 4.714 -10.266) 11.296 2.776 ( 0.000 2.114 10.666) 10.873 2.817 ( 0.000 -2.793 4.176) 5.024 2.966 ( 0.000 3.374 1.711) 3.783 2.993 ( 0.000 2.622 -0.959) 2.792 3.086 ( 0.000 2.865 5.788) 6.458 3.110 ( 0.000 -0.052 2.756) 2.757 3.127 ( 0.000 -0.715 3.463) 3.536 3.221 ( 0.000 1.582 -5.380) 5.608 3.283 ( 0.000 1.871 4.763) 5.117 3.350 ( 0.000 -6.665 -1.790) 6.902 3.439 ( 0.000 0.165 5.835) 5.837 3.538 ( 0.000 1.395 -2.621) 2.970 3.542 ( 0.000 2.066 3.595) 4.147 3.720 ( 0.000 -0.789 -1.980) 2.132 3.751 ( 0.000 -7.323 8.094) 10.915 3.817 ( 0.000 3.854 -3.458) 5.178 3.880 ( 0.000 -6.813 -1.239) 6.925 4.002 ( 0.000 -3.115 -9.782) 10.266 4.071 ( 0.000 -1.537 1.958) 2.489 4.122 ( 0.000 -1.109 -2.654) 2.876 4.192 ( 0.000 0.298 0.734) 0.792 4.230 ( 0.000 2.819 -3.809) 4.739 4.271 ( 0.000 1.513 3.492) 3.806 4.335 ( 0.000 5.088 -0.957) 5.177 4.377 ( 0.000 1.830 4.989) 5.314 4.403 ( 0.000 0.754 1.789) 1.942 4.490 ( 0.000 2.841 0.166) 2.846 4.490 ( 0.000 0.108 -0.458) 0.471 4.607 ( 0.000 1.081 -1.984) 2.260 4.629 ( 0.000 -2.837 -2.492) 3.776 4.752 ( 0.000 4.269 2.065) 4.742 4.813 ( 0.000 -1.981 -5.255) 5.616 4.881 ( 0.000 -1.315 0.586) 1.440 4.899 ( 0.000 -4.865 -0.319) 4.876 4.966 ( 0.000 3.525 0.601) 3.576 5.000 ( 0.000 0.438 -4.235) 4.258 5.001 ( 0.000 -0.193 4.822) 4.826 5.149 ( 0.000 -2.620 -7.342) 7.796 5.232 ( 0.000 0.055 0.520) 0.523 5.246 ( 0.000 4.260 -1.634) 4.563 5.286 ( 0.000 -3.573 3.473) 4.983 5.404 ( 0.000 -5.199 -8.264) 9.764 5.412 ( 0.000 3.299 -1.698) 3.710 5.426 ( 0.000 4.575 -2.695) 5.310 5.652 ( 0.000 -4.698 2.287) 5.225 5.699 ( 0.000 0.099 0.617) 0.625 5.745 ( 0.000 2.396 -1.134) 2.651 5.764 ( 0.000 6.346 -2.072) 6.676 5.942 ( 0.000 -0.866 2.795) 2.926 6.047 ( 0.000 6.899 -6.932) 9.780 6.321 ( 0.000 -0.082 6.639) 6.640 6.414 ( 0.000 2.311 2.941) 3.740 6.432 ( 0.000 -4.471 -4.556) 6.384 6.481 ( 0.000 -5.422 -4.776) 7.226 6.528 ( 0.000 2.744 4.368) 5.159 6.577 ( 0.000 -1.066 -2.280) 2.517 6.680 ( 0.000 1.498 3.493) 3.801 6.772 ( 0.000 2.916 -4.699) 5.531 6.885 ( 0.000 -3.928 4.196) 5.747 6.946 ( 0.000 -3.908 -1.830) 4.316 7.259 ( 0.000 7.926 0.623) 7.950 7.273 ( 0.000 5.286 -0.422) 5.303 7.503 ( 0.000 3.419 1.962) 3.942 7.514 ( 0.000 4.351 1.098) 4.487 7.652 ( 0.000 -1.077 -0.134) 1.086 7.653 ( 0.000 2.189 -0.060) 2.190 7.903 ( 0.000 -6.838 5.473) 8.759 8.000 ( 0.000 -4.712 -4.771) 6.706 8.254 ( 0.000 3.601 3.029) 4.706 8.330 ( 0.000 3.637 -4.885) 6.090 9.069 ( 0.000 -2.142 7.340) 7.646 9.108 ( 0.000 -3.758 2.409) 4.464 9.167 ( 0.000 -3.510 3.568) 5.005 9.234 ( 0.000 -5.132 -2.647) 5.775 9.336 ( 0.000 -2.424 5.765) 6.254 9.496 ( 0.000 -6.183 -8.888) 10.827 9.569 ( 0.000 -1.825 8.403) 8.599 9.696 ( 0.000 -6.651 -4.825) 8.217 10.141 ( 0.000 -8.020 6.654) 10.421 10.271 ( 0.000 -10.720 -6.641) 12.611 10.415 ( 0.000 -1.399 3.142) 3.440 10.479 ( 0.000 -3.800 -2.983) 4.831 10.549 ( 0.000 -1.449 4.301) 4.538 10.627 ( 0.000 -1.798 -3.803) 4.206 10.735 ( 0.000 2.626 -0.384) 2.653 10.743 ( 0.000 1.735 -1.022) 2.014 10.880 ( 0.000 -1.160 4.717) 4.858 10.886 ( 0.000 -2.686 1.589) 3.121 10.939 ( 0.000 5.480 1.738) 5.749 11.048 ( 0.000 5.351 -7.725) 9.397 11.052 ( 0.000 -0.065 5.808) 5.808 11.153 ( 0.000 -0.338 -4.902) 4.914 11.154 ( 0.000 3.735 11.882) 12.455 11.422 ( 0.000 6.604 -15.709) 17.041 12.717 ( 0.000 -1.658 5.776) 6.010 12.819 ( 0.000 -4.201 -5.120) 6.623 12.979 ( 0.000 -0.616 0.989) 1.165 13.006 ( 0.000 0.069 -1.992) 1.993 13.757 ( 0.000 1.692 -0.230) 1.708 13.762 ( 0.000 2.650 -0.830) 2.777 13.898 ( 0.000 4.989 5.665) 7.549 13.978 ( 0.000 3.508 -0.503) 3.544 14.055 ( 0.000 1.697 4.619) 4.921 14.107 ( 0.000 -0.076 -3.542) 3.542 14.129 ( 0.000 2.918 -3.936) 4.899 14.153 ( 0.000 1.475 -6.260) 6.431 14.451 ( 0.000 0.710 2.556) 2.653 14.490 ( 0.000 -1.476 -0.606) 1.596 14.548 ( 0.000 -0.019 2.847) 2.847 14.617 ( 0.000 -1.828 -3.547) 3.990 15.428 ( 0.000 -2.994 5.925) 6.638 15.439 ( 0.000 -2.147 2.692) 3.443 15.518 ( 0.000 0.343 -1.784) 1.817 15.566 ( 0.000 -1.889 -4.694) 5.060 15.763 ( 0.000 -0.919 0.844) 1.248 15.764 ( 0.000 -0.548 0.870) 1.028 15.816 ( 0.000 1.886 0.237) 1.901 15.829 ( 0.000 2.457 -1.042) 2.669 16.537 ( 0.000 -0.881 2.686) 2.826 16.561 ( 0.000 -2.507 0.197) 2.515 16.589 ( 0.000 -1.466 -0.609) 1.587 16.604 ( 0.000 -1.452 -1.980) 2.456 16.647 ( 0.000 0.597 -0.540) 0.805 16.647 ( 0.000 0.414 -0.237) 0.477 16.686 ( 0.000 1.237 0.759) 1.452 16.711 ( 0.000 2.472 -1.877) 3.103 17.822 ( 0.000 0.544 1.370) 1.474 17.852 ( 0.000 0.284 -1.765) 1.788 18.025 ( 0.000 4.051 0.105) 4.053 18.044 ( 0.000 5.640 -2.104) 6.020 18.346 ( 0.000 -1.043 0.965) 1.422 18.373 ( 0.000 -0.869 -1.593) 1.814 18.527 ( 0.000 4.019 3.985) 5.660 18.597 ( 0.000 3.255 -3.613) 4.863 19.841 ( 0.000 2.974 10.105) 10.534 20.004 ( 0.000 1.185 12.146) 12.204 20.049 ( 0.000 3.399 -11.992) 12.464 20.254 ( 0.000 -1.704 -13.849) 13.953 21.277 ( 0.000 -12.565 18.307) 22.204 21.605 ( 0.000 -11.758 -15.973) 19.834 21.669 ( 0.000 3.882 13.966) 14.496 21.889 ( 0.000 1.721 -9.939) 10.087 27.915 ( 0.000 0.097 1.942) 1.945 27.958 ( 0.000 -0.542 -1.118) 1.243 27.979 ( 0.000 -0.309 -1.292) 1.328 27.994 ( 0.000 -0.631 -1.533) 1.658 28.421 ( 0.000 -1.053 3.326) 3.488 28.444 ( 0.000 -1.529 0.174) 1.539 28.575 ( 0.000 -2.157 0.244) 2.171 28.575 ( 0.000 -4.124 0.557) 4.162 28.839 ( 0.000 -3.066 8.950) 9.460 28.899 ( 0.000 -10.993 8.587) 13.949 28.984 ( 0.000 -6.577 -5.401) 8.510 29.028 ( 0.000 -12.143 -4.767) 13.045 29.327 ( 0.000 -1.715 4.106) 4.450 29.388 ( 0.000 -2.901 -2.187) 3.633 29.446 ( 0.000 5.730 4.181) 7.093 29.569 ( 0.000 4.263 -8.395) 9.415 29.818 ( 0.000 -3.875 0.648) 3.929 29.844 ( 0.000 -0.277 -2.293) 2.309 30.213 ( 0.000 0.942 3.149) 3.287 30.256 ( 0.000 4.040 -1.114) 4.191 30.298 ( 0.000 7.180 0.948) 7.242 30.325 ( 0.000 8.592 -2.454) 8.936 30.495 ( 0.000 0.732 1.116) 1.335 30.520 ( 0.000 0.550 -1.439) 1.541 31.573 ( 0.000 -6.265 2.382) 6.703 31.577 ( 0.000 -4.940 1.345) 5.120 31.853 ( 0.000 2.674 1.152) 2.912 31.874 ( 0.000 1.710 -1.135) 2.053 31.927 ( 0.000 5.394 -2.955) 6.150 31.930 ( 0.000 10.059 -4.716) 11.110 32.517 ( 0.000 0.044 3.685) 3.685 32.589 ( 0.000 -0.254 -3.900) 3.909 ======================= Grid point 96 (35/45) ======================= q-point: ( 0.25 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( 14.682 8.062 19.838) 25.964 1.501 ( 10.755 15.515 20.667) 27.991 1.757 ( 8.357 4.448 -6.554) 11.515 1.827 ( 6.449 11.539 -10.258) 16.732 1.916 ( -3.215 12.516 3.779) 13.464 1.972 ( -1.472 5.301 -0.038) 5.502 2.003 ( -2.157 -2.677 -5.372) 6.378 2.073 ( -0.060 2.938 -4.669) 5.517 2.191 ( 5.227 -0.563 2.874) 5.991 2.249 ( 1.990 4.678 1.758) 5.379 2.297 ( 0.674 3.833 1.110) 4.047 2.333 ( -0.419 3.342 -0.607) 3.423 2.367 ( 1.059 1.885 -0.664) 2.261 2.459 ( 0.862 3.725 -6.138) 7.231 2.485 ( -1.983 1.617 3.422) 4.273 2.505 ( 2.763 4.512 5.002) 7.280 2.617 ( -0.803 3.998 -2.560) 4.815 2.632 ( -0.894 4.560 -4.849) 6.716 2.795 ( -0.320 -0.323 6.659) 6.675 2.876 ( 4.396 3.259 6.557) 8.540 2.953 ( -1.331 2.933 -0.517) 3.262 3.005 ( 0.966 1.228 2.010) 2.546 3.065 ( -0.854 1.657 4.086) 4.491 3.125 ( 1.358 0.809 0.027) 1.581 3.138 ( -0.355 1.110 1.938) 2.262 3.189 ( -1.730 0.959 -1.804) 2.677 3.279 ( -0.568 -2.094 2.767) 3.516 3.339 ( -1.141 -2.889 0.700) 3.184 3.400 ( -4.929 2.182 6.510) 8.452 3.529 ( -0.002 -0.124 1.632) 1.637 3.584 ( 2.867 -0.972 3.711) 4.789 3.686 ( 0.263 -2.213 1.453) 2.660 3.811 ( -1.213 1.577 -7.954) 8.199 3.849 ( 1.548 -3.145 1.267) 3.727 3.869 ( -3.327 -1.829 -3.127) 4.918 3.934 ( -5.798 -2.038 -2.332) 6.574 4.004 ( -3.424 -0.524 4.392) 5.594 4.120 ( -0.122 4.256 2.514) 4.945 4.196 ( -2.506 -0.759 -4.734) 5.410 4.211 ( 2.512 0.612 -6.752) 7.230 4.295 ( 0.971 0.715 4.328) 4.493 4.317 ( 1.070 -1.872 0.112) 2.159 4.375 ( 0.162 2.775 2.261) 3.584 4.418 ( 1.045 -0.299 -0.042) 1.088 4.466 ( 2.242 2.463 4.313) 5.450 4.557 ( 2.390 2.188 -1.822) 3.717 4.614 ( 0.421 0.262 0.425) 0.653 4.667 ( 1.034 -0.737 -4.090) 4.283 4.741 ( -1.425 -3.475 2.814) 4.693 4.792 ( -1.639 -1.265 -1.488) 2.550 4.851 ( -0.294 -2.054 -0.377) 2.109 4.900 ( 0.048 -0.261 -1.374) 1.400 4.926 ( -3.656 -1.262 -6.678) 7.717 4.955 ( -3.642 -0.598 -4.529) 5.842 5.053 ( 1.106 1.894 0.968) 2.397 5.116 ( -3.702 -0.648 -3.456) 5.106 5.156 ( -2.937 1.354 2.328) 3.985 5.215 ( -2.701 0.628 -3.447) 4.424 5.298 ( 1.082 1.425 1.678) 2.453 5.350 ( 0.933 1.680 -0.213) 1.934 5.413 ( -0.876 4.118 -2.405) 4.848 5.457 ( -0.158 -2.538 -5.948) 6.469 5.577 ( -7.513 1.966 2.634) 8.201 5.662 ( -6.090 1.875 -5.870) 8.664 5.714 ( 0.624 0.247 3.758) 3.817 5.798 ( 3.191 2.707 -3.523) 5.470 5.919 ( -2.141 0.188 4.185) 4.704 6.047 ( -0.387 5.981 -7.637) 9.709 6.347 ( 2.078 -1.048 4.988) 5.504 6.376 ( 0.200 -2.705 2.677) 3.811 6.456 ( 1.174 -2.386 -0.427) 2.694 6.533 ( 2.302 1.066 1.283) 2.842 6.564 ( 4.296 -0.775 -0.024) 4.366 6.631 ( 1.853 -0.690 -1.824) 2.690 6.720 ( 1.675 -0.516 0.837) 1.942 6.773 ( -0.995 1.472 -3.546) 3.966 6.881 ( 2.432 -5.264 3.379) 6.712 6.944 ( 1.026 -2.690 -2.780) 4.002 7.209 ( -4.271 5.959 3.353) 8.062 7.282 ( -0.064 7.535 -3.276) 8.216 7.482 ( -1.389 2.745 3.271) 4.491 7.518 ( 0.083 3.717 0.113) 3.720 7.575 ( -5.117 0.578 1.713) 5.427 7.606 ( -3.769 3.064 -1.513) 5.088 7.977 ( 6.257 -3.466 6.059) 9.374 8.083 ( 6.505 -3.699 -5.417) 9.239 8.212 ( -4.254 2.784 3.817) 6.357 8.299 ( -3.202 2.770 -5.366) 6.835 9.057 ( -0.693 -3.833 7.794) 8.713 9.130 ( 1.456 -3.160 2.550) 4.314 9.160 ( -0.468 -2.786 2.798) 3.976 9.239 ( 0.193 -3.384 -3.138) 4.619 9.352 ( 1.387 -3.923 6.303) 7.553 9.497 ( 0.089 -6.694 -7.811) 10.287 9.554 ( -1.277 0.577 6.827) 6.970 9.662 ( -2.497 -2.757 -4.214) 5.621 10.185 ( 4.113 -8.529 6.491) 11.480 10.300 ( 2.793 -11.145 -4.612) 12.381 10.390 ( -2.301 -3.496 3.619) 5.533 10.489 ( 1.113 -4.000 -4.712) 6.280 10.583 ( 2.219 -4.334 2.084) 5.296 10.634 ( 0.482 -1.632 -2.764) 3.246 10.692 ( -3.276 1.049 0.054) 3.441 10.701 ( -3.078 1.147 -1.097) 3.463 10.896 ( 2.130 0.199 5.812) 6.193 10.931 ( 1.228 0.296 3.320) 3.552 10.963 ( 3.382 1.363 -0.804) 3.734 11.032 ( -1.581 -0.721 3.606) 4.002 11.052 ( 0.025 5.049 -6.543) 8.264 11.127 ( -2.306 0.075 -3.879) 4.513 11.188 ( 2.358 4.340 11.589) 12.598 11.456 ( 2.315 7.259 -14.680) 16.540 12.757 ( 3.283 -3.004 4.891) 6.613 12.845 ( 2.331 -4.406 -4.279) 6.570 12.967 ( -1.034 0.134 2.322) 2.545 13.018 ( 0.834 0.435 -2.739) 2.896 13.735 ( -1.267 2.272 1.256) 2.889 13.779 ( 1.116 0.947 -3.763) 4.038 13.876 ( -1.786 4.976 4.370) 6.859 13.967 ( -1.243 3.072 -2.721) 4.288 14.039 ( -1.895 1.212 1.631) 2.778 14.091 ( 0.251 2.027 2.740) 3.418 14.119 ( -0.344 0.381 -4.368) 4.398 14.195 ( 2.107 2.324 -6.341) 7.074 14.464 ( 1.294 0.323 3.079) 3.355 14.505 ( 1.019 -1.622 0.973) 2.149 14.541 ( -0.380 0.072 0.774) 0.865 14.601 ( -1.590 -1.710 -3.428) 4.148 15.411 ( -0.763 -3.866 5.292) 6.598 15.466 ( 1.849 -1.974 2.920) 3.980 15.515 ( -0.418 -1.368 -0.971) 1.729 15.587 ( 1.737 -0.343 -4.607) 4.936 15.761 ( -0.100 -0.632 1.010) 1.196 15.769 ( 0.469 -0.348 0.685) 0.900 15.805 ( -1.063 1.617 0.226) 1.948 15.822 ( -0.490 2.339 -1.132) 2.644 16.538 ( 0.210 -0.971 2.573) 2.758 16.560 ( -0.260 -1.941 0.973) 2.187 16.582 ( -0.510 -1.765 -0.886) 2.040 16.601 ( -0.256 -1.162 -2.077) 2.393 16.639 ( -0.152 0.052 0.622) 0.642 16.665 ( 0.998 0.963 -1.670) 2.171 16.688 ( 0.048 1.329 0.617) 1.466 16.721 ( 0.824 2.701 -2.487) 3.763 17.841 ( 1.726 0.106 1.039) 2.017 17.868 ( 1.425 -0.190 -1.830) 2.327 18.004 ( -1.929 4.262 0.803) 4.747 18.030 ( -1.225 5.321 -1.868) 5.771 18.354 ( 0.650 -1.247 1.533) 2.080 18.400 ( 2.259 -1.066 -3.360) 4.187 18.520 ( -0.577 4.332 3.943) 5.886 18.590 ( -0.691 3.756 -3.581) 5.235 19.858 ( 1.669 2.394 10.021) 10.438 19.977 ( -2.540 1.851 11.628) 12.045 20.060 ( 1.237 2.159 -11.408) 11.676 20.209 ( -3.913 0.147 -12.249) 12.860 21.272 ( -0.394 -12.034 18.580) 22.140 21.610 ( 0.463 -10.577 -14.289) 17.784 21.652 ( -1.379 3.444 12.685) 13.216 21.895 ( 0.437 1.499 -11.008) 11.118 27.919 ( 0.333 -0.431 1.684) 1.770 27.956 ( -0.053 -0.631 -0.761) 0.990 27.972 ( -0.641 -0.414 -0.689) 1.028 27.999 ( 0.287 0.201 -2.123) 2.152 28.436 ( 1.588 -1.691 4.003) 4.626 28.466 ( 2.087 -1.809 0.214) 2.770 28.546 ( -2.420 -3.163 2.145) 4.524 28.565 ( -1.462 -2.240 -0.313) 2.693 28.840 ( 0.115 -3.824 9.147) 9.915 28.882 ( -1.356 -8.146 10.003) 12.971 28.989 ( 0.863 -7.477 -5.905) 9.567 29.042 ( 0.547 -12.411 -6.670) 14.101 29.317 ( -0.626 -0.720 3.462) 3.591 29.387 ( -0.164 -2.299 -3.867) 4.501 29.444 ( -0.228 5.891 4.554) 7.449 29.556 ( -1.070 4.571 -7.290) 8.671 29.853 ( 3.909 -2.790 1.356) 4.991 29.886 ( 4.325 -0.692 -2.232) 4.916 30.170 ( -7.869 -1.051 3.679) 8.750 30.201 ( -6.953 1.422 -0.019) 7.097 30.255 ( -3.146 6.090 0.871) 6.910 30.305 ( -0.526 6.912 -3.573) 7.799 30.390 ( -5.746 5.098 1.661) 7.860 30.419 ( -4.418 5.295 -1.277) 7.013 31.662 ( 6.071 -1.667 3.289) 7.103 31.700 ( 7.353 -1.504 -0.448) 7.519 31.836 ( -1.594 4.950 0.800) 5.262 31.872 ( -2.409 6.251 -2.748) 7.240 31.963 ( 9.314 -0.436 3.889) 10.102 32.087 ( 11.601 -2.893 -9.517) 15.281 32.452 ( -6.423 0.120 4.679) 7.948 32.553 ( -3.697 -0.767 -5.729) 6.861 ======================= Grid point 97 (36/45) ======================= q-point: (-0.50 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( 0.000 6.814 11.644) 13.491 1.663 ( -0.000 13.728 12.503) 18.568 1.714 ( 0.000 16.777 11.843) 20.536 1.846 ( 0.000 14.378 4.671) 15.118 1.948 ( 0.000 0.762 -10.931) 10.958 1.976 ( -0.000 1.597 -4.449) 4.727 1.993 ( 0.000 2.716 -8.838) 9.246 2.073 ( 0.000 6.211 -6.841) 9.240 2.254 ( 0.000 -1.496 3.299) 3.623 2.275 ( 0.000 5.479 2.085) 5.862 2.295 ( 0.000 1.888 -2.055) 2.791 2.299 ( 0.000 2.321 -0.437) 2.362 2.391 ( 0.000 0.184 4.924) 4.927 2.444 ( 0.000 1.019 -1.645) 1.935 2.473 ( 0.000 3.112 -2.598) 4.053 2.525 ( 0.000 3.001 -5.733) 6.471 2.666 ( 0.000 1.991 5.520) 5.868 2.750 ( -0.000 3.587 7.716) 8.509 2.795 ( 0.000 4.312 -3.420) 5.504 2.869 ( -0.000 6.722 -1.736) 6.942 2.994 ( -0.000 1.839 8.162) 8.367 3.000 ( 0.000 0.605 2.003) 2.093 3.053 ( 0.000 0.038 -0.463) 0.465 3.061 ( 0.000 1.368 0.402) 1.426 3.186 ( -0.000 -1.596 2.999) 3.397 3.203 ( 0.000 1.520 5.231) 5.447 3.225 ( 0.000 -1.028 -1.133) 1.530 3.292 ( 0.000 0.759 -2.346) 2.466 3.448 ( -0.000 -0.777 9.931) 9.961 3.465 ( 0.000 -0.993 11.921) 11.962 3.589 ( 0.000 1.654 2.371) 2.891 3.644 ( 0.000 0.985 1.429) 1.735 3.719 ( 0.000 -5.858 -2.972) 6.569 3.802 ( 0.000 5.030 1.436) 5.231 3.889 ( -0.000 -1.168 -11.909) 11.966 3.898 ( 0.000 -7.828 -11.449) 13.869 4.047 ( -0.000 5.312 8.315) 9.867 4.072 ( 0.000 0.717 9.247) 9.274 4.186 ( 0.000 -0.142 -2.719) 2.723 4.204 ( 0.000 3.924 -4.967) 6.330 4.332 ( 0.000 0.270 8.113) 8.118 4.352 ( -0.000 -1.972 -3.671) 4.167 4.379 ( 0.000 -1.582 -4.515) 4.784 4.452 ( 0.000 -1.251 -0.200) 1.267 4.517 ( -0.000 0.617 4.808) 4.847 4.569 ( 0.000 -0.608 0.592) 0.849 4.594 ( 0.000 0.937 -1.920) 2.137 4.665 ( 0.000 5.325 -1.934) 5.665 4.709 ( 0.000 -4.958 -1.726) 5.250 4.795 ( 0.000 -5.500 -0.573) 5.530 4.806 ( -0.000 -2.759 2.146) 3.495 4.884 ( -0.000 -2.132 -4.554) 5.028 4.895 ( 0.000 -1.563 -9.563) 9.690 4.954 ( 0.000 -1.704 -10.528) 10.665 5.030 ( 0.000 0.210 2.871) 2.878 5.080 ( 0.000 2.983 -2.251) 3.737 5.114 ( 0.000 2.740 5.759) 6.378 5.217 ( 0.000 0.114 -3.348) 3.350 5.309 ( 0.000 8.846 3.730) 9.600 5.392 ( 0.000 -0.312 5.555) 5.563 5.419 ( 0.000 0.318 1.689) 1.719 5.435 ( 0.000 4.550 -7.083) 8.419 5.504 ( 0.000 0.965 -6.392) 6.465 5.539 ( -0.000 2.890 -8.089) 8.589 5.736 ( 0.000 -2.508 4.831) 5.443 5.835 ( 0.000 2.498 -5.071) 5.653 5.888 ( 0.000 1.212 6.002) 6.124 6.039 ( 0.000 5.935 -8.239) 10.154 6.355 ( 0.000 -0.616 2.681) 2.751 6.415 ( 0.000 -7.586 -3.930) 8.544 6.477 ( 0.000 3.014 9.841) 10.293 6.551 ( 0.000 -3.125 8.545) 9.098 6.595 ( 0.000 0.515 0.955) 1.085 6.688 ( 0.000 1.937 -1.671) 2.558 6.694 ( -0.000 -4.586 -6.507) 7.960 6.734 ( 0.000 0.985 -3.189) 3.338 6.939 ( 0.000 -7.708 1.308) 7.818 6.990 ( 0.000 -1.829 -4.508) 4.865 7.140 ( -0.000 6.570 7.304) 9.824 7.276 ( 0.000 9.193 -6.187) 11.081 7.470 ( 0.000 0.429 4.584) 4.604 7.511 ( 0.000 3.981 3.405) 5.239 7.527 ( 0.000 1.668 -1.384) 2.168 7.562 ( 0.000 5.545 -2.208) 5.969 8.098 ( 0.000 -0.191 4.896) 4.900 8.105 ( -0.000 0.807 6.661) 6.710 8.192 ( 0.000 -1.300 -5.441) 5.595 8.229 ( 0.000 0.886 -6.520) 6.580 9.051 ( 0.000 -5.037 8.166) 9.595 9.142 ( 0.000 -0.762 8.204) 8.239 9.159 ( 0.000 -4.895 -3.888) 6.251 9.239 ( 0.000 -1.133 -2.530) 2.772 9.369 ( 0.000 -5.689 6.214) 8.425 9.498 ( 0.000 -7.254 -6.753) 9.911 9.538 ( 0.000 3.125 5.472) 6.302 9.636 ( 0.000 -0.062 -4.467) 4.467 10.248 ( -0.000 -8.775 5.156) 10.177 10.332 ( 0.000 -4.697 9.216) 10.344 10.356 ( 0.000 -12.954 -6.451) 14.472 10.507 ( 0.000 -7.561 -8.757) 11.570 10.608 ( -0.000 0.799 1.478) 1.681 10.632 ( 0.000 -2.160 2.611) 3.389 10.652 ( 0.000 -0.151 -3.108) 3.112 10.669 ( 0.000 -1.944 -0.885) 2.136 10.930 ( 0.000 1.805 4.648) 4.986 10.938 ( -0.000 2.391 5.934) 6.398 10.997 ( 0.000 -3.071 4.935) 5.812 11.025 ( 0.000 0.838 -2.565) 2.699 11.052 ( 0.000 3.765 -7.358) 8.265 11.089 ( -0.000 0.133 -5.443) 5.444 11.214 ( 0.000 5.028 12.651) 13.614 11.478 ( 0.000 8.023 -13.187) 15.436 12.796 ( 0.000 -4.526 4.221) 6.189 12.879 ( 0.000 -4.569 -4.655) 6.522 12.949 ( 0.000 0.870 5.036) 5.110 13.027 ( 0.000 1.226 -3.259) 3.482 13.721 ( 0.000 2.068 1.786) 2.732 13.797 ( 0.000 -0.754 -6.548) 6.591 13.853 ( 0.000 5.166 3.628) 6.313 13.946 ( 0.000 3.229 -5.116) 6.050 14.019 ( 0.000 1.263 3.260) 3.496 14.101 ( 0.000 3.121 5.794) 6.581 14.113 ( 0.000 -1.018 -5.682) 5.773 14.215 ( 0.000 2.517 -6.581) 7.046 14.490 ( -0.000 -0.483 4.162) 4.190 14.500 ( 0.000 -0.377 3.802) 3.821 14.560 ( 0.000 -1.167 -3.363) 3.560 14.566 ( 0.000 -1.234 -3.041) 3.282 15.404 ( 0.000 -4.458 5.559) 7.126 15.497 ( -0.000 -4.107 -4.528) 6.114 15.500 ( 0.000 -0.123 6.832) 6.833 15.608 ( 0.000 0.346 -4.700) 4.713 15.760 ( 0.000 -0.512 1.132) 1.243 15.783 ( -0.000 0.488 -1.344) 1.430 15.784 ( 0.000 0.807 2.217) 2.360 15.817 ( 0.000 2.272 -1.358) 2.647 16.544 ( -0.000 -1.513 2.048) 2.546 16.553 ( 0.000 -0.656 2.512) 2.597 16.577 ( 0.000 -2.288 -1.467) 2.718 16.598 ( 0.000 -0.989 -2.156) 2.372 16.638 ( 0.000 -0.178 0.831) 0.850 16.677 ( 0.000 0.813 -3.442) 3.536 16.686 ( 0.000 1.838 1.835) 2.597 16.731 ( 0.000 2.964 -3.039) 4.245 17.865 ( 0.000 -0.828 0.359) 0.903 17.888 ( 0.000 -0.855 -2.038) 2.210 17.977 ( 0.000 4.849 1.965) 5.232 18.014 ( 0.000 5.443 -1.814) 5.737 18.362 ( 0.000 -1.505 2.111) 2.593 18.428 ( 0.000 -1.643 -4.997) 5.260 18.513 ( 0.000 4.748 3.915) 6.153 18.580 ( 0.000 4.513 -3.431) 5.669 19.888 ( -0.000 0.550 9.826) 9.841 19.936 ( 0.000 3.782 11.243) 11.862 20.083 ( -0.000 -1.070 -10.508) 10.562 20.155 ( 0.000 3.897 -11.279) 11.933 21.268 ( 0.000 -11.574 18.759) 22.042 21.618 ( 0.000 -12.041 -18.107) 21.745 21.633 ( 0.000 5.444 16.728) 17.591 21.900 ( 0.000 1.399 -11.876) 11.958 27.924 ( 0.000 -1.230 1.306) 1.794 27.960 ( 0.000 0.564 1.838) 1.923 27.960 ( -0.000 -1.251 -2.466) 2.765 28.002 ( 0.000 0.746 -2.461) 2.572 28.467 ( 0.000 -3.603 4.715) 5.934 28.495 ( -0.000 -2.163 4.712) 5.185 28.512 ( 0.000 -2.060 -1.078) 2.325 28.535 ( 0.000 -1.009 -0.573) 1.160 28.842 ( 0.000 -5.268 9.589) 10.941 28.866 ( 0.000 -5.011 10.346) 11.496 29.005 ( 0.000 -9.928 -6.938) 12.112 29.040 ( 0.000 -10.556 -7.075) 12.708 29.311 ( 0.000 -0.113 2.404) 2.406 29.385 ( 0.000 -1.682 -5.711) 5.954 29.441 ( 0.000 6.213 4.921) 7.926 29.543 ( 0.000 4.843 -6.025) 7.730 29.946 ( -0.000 -0.874 2.275) 2.437 29.991 ( 0.000 0.606 -2.466) 2.540 30.005 ( -0.000 -3.465 3.384) 4.844 30.048 ( 0.000 -0.492 -1.193) 1.290 30.237 ( 0.000 3.969 2.730) 4.817 30.308 ( 0.000 5.631 -4.285) 7.076 30.346 ( 0.000 7.226 2.204) 7.554 30.383 ( 0.000 8.180 -1.690) 8.353 31.723 ( 0.000 2.062 3.019) 3.656 31.787 ( 0.000 2.102 -3.470) 4.057 31.811 ( 0.000 4.057 1.896) 4.479 31.832 ( 0.000 6.980 -0.483) 6.997 32.116 ( 0.000 -6.992 4.003) 8.057 32.246 ( -0.000 -8.459 -9.626) 12.815 32.335 ( 0.000 1.717 7.631) 7.821 32.492 ( 0.000 -0.110 -8.919) 8.919 ======================= Grid point 100 (37/45) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( 0.000 9.873 13.697) 16.884 1.629 ( 0.000 5.068 -5.236) 7.287 1.694 ( 0.000 11.537 14.162) 18.266 1.860 ( 0.000 -6.413 3.996) 7.556 2.004 ( 0.000 -1.131 0.950) 1.478 2.021 ( 0.000 6.887 -11.540) 13.439 2.106 ( 0.000 4.263 8.392) 9.413 2.159 ( 0.000 3.936 0.449) 3.961 2.251 ( 0.000 3.293 2.799) 4.322 2.319 ( 0.000 1.225 -5.693) 5.823 2.319 ( 0.000 5.478 -5.714) 7.915 2.356 ( 0.000 1.143 -3.574) 3.752 2.417 ( 0.000 3.073 1.479) 3.410 2.497 ( 0.000 -0.690 -4.480) 4.533 2.573 ( 0.000 1.381 2.044) 2.466 2.643 ( 0.000 -3.520 -1.802) 3.955 2.685 ( 0.000 4.771 3.530) 5.935 2.768 ( 0.000 0.196 -1.444) 1.457 2.812 ( 0.000 1.750 4.512) 4.840 2.829 ( 0.000 7.774 -1.823) 7.984 2.943 ( 0.000 -6.168 6.728) 9.127 2.993 ( 0.000 -2.371 -1.347) 2.726 3.123 ( 0.000 2.455 1.046) 2.669 3.141 ( 0.000 1.283 0.065) 1.284 3.195 ( 0.000 3.878 5.869) 7.035 3.256 ( 0.000 0.177 -1.049) 1.064 3.327 ( 0.000 2.735 4.110) 4.937 3.339 ( 0.000 9.257 0.533) 9.272 3.500 ( 0.000 5.025 7.040) 8.650 3.577 ( 0.000 1.191 -3.539) 3.734 3.624 ( 0.000 7.916 3.686) 8.732 3.678 ( 0.000 0.619 5.635) 5.669 3.734 ( 0.000 4.487 6.603) 7.984 3.845 ( 0.000 3.004 2.004) 3.611 3.890 ( 0.000 1.545 -4.477) 4.736 3.928 ( 0.000 -5.467 -5.018) 7.421 4.032 ( 0.000 1.359 -2.879) 3.183 4.080 ( 0.000 -1.917 -5.233) 5.573 4.208 ( 0.000 1.443 2.819) 3.167 4.232 ( 0.000 -2.418 9.190) 9.502 4.317 ( 0.000 -0.375 -4.461) 4.477 4.337 ( 0.000 -7.097 2.326) 7.468 4.416 ( 0.000 3.853 -1.662) 4.196 4.418 ( 0.000 2.960 -2.415) 3.820 4.476 ( 0.000 -0.660 -4.056) 4.109 4.592 ( 0.000 7.698 -5.902) 9.701 4.639 ( 0.000 2.504 -0.557) 2.565 4.644 ( 0.000 6.045 -1.379) 6.200 4.773 ( 0.000 -3.308 -1.540) 3.649 4.784 ( 0.000 1.943 -0.648) 2.048 4.893 ( 0.000 4.269 0.961) 4.376 4.945 ( 0.000 2.309 -3.717) 4.376 4.995 ( 0.000 4.535 -0.116) 4.537 5.011 ( 0.000 -0.679 -2.552) 2.641 5.048 ( 0.000 1.761 2.140) 2.771 5.085 ( 0.000 -0.861 -3.422) 3.528 5.207 ( 0.000 -1.392 0.597) 1.514 5.258 ( 0.000 0.961 -4.001) 4.115 5.310 ( 0.000 0.964 -1.439) 1.732 5.312 ( 0.000 -1.904 -2.925) 3.491 5.445 ( 0.000 0.050 0.645) 0.647 5.483 ( 0.000 0.524 -3.116) 3.160 5.655 ( 0.000 2.915 2.930) 4.133 5.689 ( 0.000 0.389 0.026) 0.390 5.816 ( 0.000 2.780 4.527) 5.313 5.860 ( 0.000 3.151 -2.742) 4.177 5.944 ( 0.000 1.981 3.655) 4.157 6.129 ( 0.000 0.640 -11.612) 11.630 6.260 ( 0.000 -5.110 4.164) 6.591 6.320 ( 0.000 -4.671 0.144) 4.673 6.419 ( 0.000 -1.923 2.488) 3.145 6.489 ( 0.000 3.797 -0.704) 3.862 6.565 ( 0.000 -0.128 -0.596) 0.610 6.566 ( 0.000 0.800 -0.709) 1.069 6.699 ( 0.000 0.585 5.258) 5.291 6.763 ( 0.000 -2.554 -0.934) 2.720 6.855 ( 0.000 0.030 1.222) 1.222 6.893 ( 0.000 -1.781 -3.193) 3.656 7.385 ( 0.000 5.588 4.037) 6.894 7.419 ( 0.000 7.680 0.644) 7.707 7.553 ( 0.000 2.429 0.833) 2.568 7.574 ( 0.000 0.745 -1.144) 1.365 7.692 ( 0.000 6.718 2.059) 7.027 7.727 ( 0.000 5.221 -2.053) 5.610 7.834 ( 0.000 0.303 5.520) 5.528 7.932 ( 0.000 -1.780 -4.948) 5.258 8.326 ( 0.000 3.798 3.805) 5.376 8.397 ( 0.000 3.114 -3.841) 4.945 9.015 ( 0.000 -3.324 5.995) 6.854 9.045 ( 0.000 -2.294 3.503) 4.188 9.097 ( 0.000 -3.874 0.588) 3.919 9.132 ( 0.000 -4.799 -2.546) 5.433 9.270 ( 0.000 -4.233 2.358) 4.846 9.354 ( 0.000 -7.897 -5.888) 9.850 9.540 ( 0.000 -1.041 2.714) 2.907 9.581 ( 0.000 -5.260 -1.797) 5.558 9.952 ( 0.000 -11.484 4.814) 12.452 10.038 ( 0.000 -12.881 -3.787) 13.426 10.382 ( 0.000 -1.922 1.798) 2.631 10.407 ( 0.000 -3.526 -0.717) 3.598 10.566 ( 0.000 2.624 2.131) 3.381 10.625 ( 0.000 1.106 -3.934) 4.087 10.777 ( 0.000 1.268 0.106) 1.273 10.779 ( 0.000 0.938 -0.184) 0.956 10.844 ( 0.000 -1.118 1.422) 1.808 10.862 ( 0.000 0.129 0.816) 0.827 10.986 ( 0.000 -0.399 4.640) 4.657 11.057 ( 0.000 -0.046 5.032) 5.032 11.092 ( 0.000 -1.608 -6.372) 6.572 11.145 ( 0.000 -1.474 -5.102) 5.311 11.157 ( 0.000 -3.637 10.327) 10.949 11.388 ( 0.000 -8.377 -12.130) 14.742 12.703 ( 0.000 0.705 3.100) 3.179 12.765 ( 0.000 -1.011 -3.816) 3.947 12.965 ( 0.000 -0.794 1.279) 1.506 12.992 ( 0.000 -1.333 -1.431) 1.955 13.805 ( 0.000 3.046 0.430) 3.076 13.828 ( 0.000 3.306 -1.392) 3.587 13.959 ( 0.000 1.866 3.489) 3.956 14.028 ( 0.000 0.909 -2.196) 2.377 14.095 ( 0.000 2.208 3.732) 4.337 14.136 ( 0.000 3.061 1.693) 3.497 14.176 ( 0.000 1.235 -3.744) 3.942 14.210 ( 0.000 4.836 -3.876) 6.198 14.467 ( 0.000 -0.839 1.667) 1.866 14.468 ( 0.000 0.884 0.941) 1.291 14.545 ( 0.000 -0.326 -0.113) 0.345 14.574 ( 0.000 -2.449 -2.687) 3.636 15.371 ( 0.000 -2.749 4.869) 5.592 15.389 ( 0.000 -2.744 2.955) 4.033 15.515 ( 0.000 -0.499 -2.376) 2.427 15.530 ( 0.000 -1.718 -3.773) 4.146 15.749 ( 0.000 -0.424 1.508) 1.567 15.758 ( 0.000 -0.081 0.827) 0.831 15.854 ( 0.000 1.990 0.449) 2.040 15.874 ( 0.000 2.017 -1.272) 2.385 16.520 ( 0.000 -0.649 0.965) 1.163 16.525 ( 0.000 -1.165 -0.085) 1.169 16.571 ( 0.000 -0.534 -0.309) 0.617 16.578 ( 0.000 -1.108 -0.594) 1.258 16.643 ( 0.000 -0.591 -0.111) 0.602 16.652 ( 0.000 -0.162 -1.318) 1.328 16.713 ( 0.000 1.422 1.735) 2.243 16.749 ( 0.000 1.390 -2.143) 2.554 17.835 ( 0.000 0.792 0.422) 0.897 17.859 ( 0.000 0.298 -1.939) 1.962 18.113 ( 0.000 4.679 1.299) 4.856 18.152 ( 0.000 4.908 -2.802) 5.651 18.351 ( 0.000 1.400 -0.284) 1.428 18.372 ( 0.000 0.720 -1.967) 2.095 18.597 ( 0.000 3.270 4.006) 5.171 18.654 ( 0.000 2.462 -2.187) 3.293 19.900 ( 0.000 2.597 8.931) 9.300 20.057 ( 0.000 4.787 11.462) 12.422 20.079 ( 0.000 -1.258 -10.018) 10.097 20.263 ( 0.000 3.383 -8.809) 9.436 21.068 ( 0.000 -8.938 13.703) 16.361 21.373 ( 0.000 -12.145 -17.195) 21.052 21.710 ( 0.000 1.050 11.814) 11.861 21.878 ( 0.000 -2.345 -6.311) 6.733 27.915 ( 0.000 -0.213 1.104) 1.125 27.947 ( 0.000 -0.614 -0.684) 0.919 27.965 ( 0.000 -1.101 -1.989) 2.273 27.979 ( 0.000 -0.900 -1.869) 2.074 28.390 ( 0.000 -2.122 2.586) 3.345 28.391 ( 0.000 -3.661 2.499) 4.433 28.477 ( 0.000 -5.120 1.619) 5.370 28.498 ( 0.000 -5.660 -0.630) 5.695 28.766 ( 0.000 -3.408 4.319) 5.502 28.781 ( 0.000 -2.616 4.876) 5.533 28.848 ( 0.000 -5.598 -3.111) 6.405 28.868 ( 0.000 -4.752 -3.010) 5.625 29.298 ( 0.000 -0.966 2.009) 2.229 29.340 ( 0.000 -2.193 -2.345) 3.211 29.560 ( 0.000 5.239 4.887) 7.164 29.654 ( 0.000 4.145 -4.417) 6.058 29.775 ( 0.000 0.055 3.652) 3.653 29.846 ( 0.000 0.807 -3.791) 3.876 30.193 ( 0.000 -2.791 5.378) 6.059 30.294 ( 0.000 -0.582 -4.343) 4.382 30.414 ( 0.000 4.386 1.790) 4.738 30.455 ( 0.000 4.076 -3.171) 5.165 30.518 ( 0.000 1.967 0.940) 2.180 30.539 ( 0.000 1.880 -1.319) 2.296 31.457 ( 0.000 -5.585 1.276) 5.729 31.466 ( 0.000 -5.945 0.142) 5.947 31.882 ( 0.000 -0.535 0.500) 0.732 31.884 ( 0.000 0.659 -0.446) 0.796 32.086 ( 0.000 9.757 0.507) 9.770 32.146 ( 0.000 11.025 -5.920) 12.514 32.518 ( 0.000 0.218 2.228) 2.238 32.563 ( 0.000 -2.158 -2.214) 3.092 ======================= Grid point 101 (38/45) ======================= q-point: ( 0.25 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( 16.007 7.912 10.565) 20.747 1.753 ( 7.325 8.703 12.059) 16.577 1.799 ( 8.925 1.437 -7.111) 11.502 1.899 ( 3.906 -2.535 4.068) 6.183 2.003 ( -0.780 0.318 -2.790) 2.915 2.026 ( -0.894 4.644 -1.197) 4.878 2.099 ( 2.239 3.791 1.204) 4.565 2.170 ( -1.704 6.811 -5.438) 8.880 2.259 ( 2.125 5.663 -0.684) 6.088 2.290 ( 2.500 0.057 3.063) 3.954 2.356 ( 0.078 2.453 2.898) 3.798 2.394 ( -0.366 0.778 2.506) 2.650 2.429 ( 2.840 0.999 -3.365) 4.515 2.490 ( -1.589 4.777 -0.142) 5.036 2.548 ( -0.578 0.244 -3.324) 3.382 2.606 ( -1.215 1.007 -1.841) 2.425 2.691 ( 0.996 3.343 -0.462) 3.518 2.723 ( 1.075 3.563 -0.627) 3.774 2.816 ( 1.808 4.223 6.036) 7.585 2.910 ( 4.322 1.997 -1.467) 4.982 2.991 ( 2.942 -1.052 4.109) 5.162 3.015 ( 1.609 -1.246 1.489) 2.522 3.093 ( -1.837 0.947 3.589) 4.142 3.133 ( -0.290 1.023 0.456) 1.157 3.196 ( -0.745 3.465 5.654) 6.673 3.250 ( -1.167 3.439 0.556) 3.674 3.293 ( -1.405 2.908 0.404) 3.255 3.341 ( -1.035 5.868 -2.206) 6.354 3.440 ( -4.239 0.797 7.546) 8.691 3.500 ( -3.853 1.655 5.611) 7.005 3.626 ( -0.919 2.007 1.046) 2.443 3.686 ( -1.148 2.052 -0.813) 2.488 3.770 ( -1.866 -0.344 -2.274) 2.961 3.818 ( -0.662 0.166 -10.815) 10.836 3.931 ( -0.282 3.105 2.945) 4.289 3.989 ( -1.085 1.233 -0.670) 1.774 4.003 ( 1.038 3.555 5.269) 6.441 4.105 ( 2.314 -1.017 2.392) 3.480 4.143 ( 1.538 -1.167 0.392) 1.970 4.246 ( -0.095 -3.122 2.810) 4.202 4.286 ( -2.201 -1.877 -2.599) 3.888 4.323 ( -2.836 3.459 -0.429) 4.493 4.365 ( 0.517 -0.677 -5.091) 5.162 4.442 ( 1.261 0.439 -3.070) 3.348 4.499 ( 3.543 1.717 2.572) 4.703 4.572 ( -2.649 2.992 2.021) 4.478 4.641 ( -0.595 2.559 -0.384) 2.655 4.706 ( -4.398 1.146 -3.219) 5.569 4.721 ( 0.994 3.085 0.069) 3.242 4.780 ( -0.869 1.747 -2.193) 2.935 4.830 ( -3.061 0.953 2.365) 3.983 4.901 ( -4.083 0.737 -3.037) 5.141 4.962 ( -2.633 3.378 -4.594) 6.281 5.011 ( 0.433 4.655 -6.470) 7.982 5.041 ( -2.975 -1.975 0.619) 3.624 5.092 ( 0.202 -0.118 -4.345) 4.351 5.205 ( -1.113 2.212 0.299) 2.494 5.224 ( 0.764 2.860 -0.400) 2.987 5.312 ( 2.832 -0.721 -0.188) 2.928 5.344 ( 1.703 -1.326 -2.017) 2.955 5.425 ( -0.950 0.037 1.187) 1.521 5.489 ( 0.317 1.903 -3.831) 4.290 5.621 ( -4.146 3.127 3.320) 6.163 5.676 ( -2.284 0.616 -1.083) 2.602 5.807 ( -1.380 5.515 1.242) 5.820 5.872 ( 1.448 3.617 -2.668) 4.722 5.910 ( -1.979 -0.107 4.447) 4.868 6.094 ( -1.918 -1.657 -11.400) 11.679 6.272 ( 1.409 -3.968 3.929) 5.759 6.345 ( 1.221 -1.781 -1.477) 2.616 6.447 ( 2.260 -0.493 4.590) 5.140 6.506 ( 2.536 -0.973 -1.351) 3.034 6.587 ( 0.710 1.110 3.456) 3.699 6.613 ( 1.217 -0.677 1.271) 1.885 6.707 ( 0.673 -0.729 1.161) 1.527 6.749 ( -0.125 -2.694 -0.782) 2.808 6.823 ( -2.092 -1.056 2.344) 3.314 6.910 ( 2.377 -1.378 -6.240) 6.818 7.340 ( -4.090 7.368 6.517) 10.653 7.426 ( 0.778 6.440 -0.253) 6.491 7.521 ( -2.583 2.529 1.251) 3.825 7.564 ( -0.838 0.853 -2.425) 2.704 7.653 ( -2.375 7.410 3.418) 8.499 7.711 ( -0.939 7.156 -3.154) 7.876 7.941 ( 8.849 0.260 4.956) 10.146 8.027 ( 8.349 -1.675 -4.521) 9.641 8.271 ( -5.709 3.344 4.398) 7.945 8.351 ( -4.875 2.444 -4.209) 6.888 8.978 ( -1.951 -3.800 5.948) 7.322 9.065 ( -0.316 -4.032 -2.600) 4.808 9.099 ( 1.520 -2.580 5.190) 5.991 9.168 ( 2.534 -3.685 -1.630) 4.760 9.265 ( -0.493 -4.849 2.522) 5.488 9.349 ( -0.402 -8.124 -5.796) 9.988 9.561 ( 1.621 -0.127 2.569) 3.041 9.598 ( 1.451 -3.456 -1.473) 4.028 9.995 ( 4.476 -10.885 4.171) 12.487 10.073 ( 3.479 -12.002 -3.787) 13.057 10.319 ( -5.931 -3.685 2.883) 7.554 10.364 ( -4.051 -6.242 -1.486) 7.588 10.587 ( 2.147 2.438 1.936) 3.781 10.638 ( 1.404 1.462 -3.386) 3.946 10.721 ( -3.939 1.594 0.258) 4.257 10.736 ( -3.467 1.955 -1.290) 4.184 10.882 ( 3.527 -0.956 3.378) 4.977 10.909 ( 1.998 -1.277 2.881) 3.731 10.976 ( 0.564 -1.158 1.583) 2.041 11.023 ( -2.499 -0.823 4.238) 4.988 11.078 ( -1.702 -1.499 -4.741) 5.256 11.134 ( -0.721 -1.492 -7.018) 7.212 11.202 ( 2.980 -3.250 11.568) 12.380 11.439 ( 3.656 -7.617 -11.661) 14.400 12.722 ( 1.622 -0.205 3.405) 3.777 12.795 ( 2.671 -0.486 -4.199) 5.000 12.952 ( -1.082 -1.293 3.097) 3.526 13.012 ( 1.532 -0.835 -3.098) 3.556 13.797 ( -0.635 3.062 0.694) 3.203 13.831 ( 0.319 4.059 -2.407) 4.730 13.939 ( -1.628 1.871 3.028) 3.914 14.001 ( -2.290 0.616 -2.143) 3.196 14.084 ( -0.692 3.089 2.563) 4.074 14.141 ( -0.216 2.480 0.045) 2.490 14.157 ( -0.649 3.313 0.327) 3.392 14.234 ( 1.510 2.008 -4.400) 5.067 14.470 ( 0.615 0.007 2.240) 2.323 14.480 ( 0.766 -0.657 1.684) 1.963 14.538 ( -0.487 -0.314 -1.045) 1.194 14.563 ( -1.079 -2.011 -2.799) 3.612 15.340 ( -1.586 -3.313 5.087) 6.274 15.416 ( 1.128 -2.814 -0.762) 3.126 15.489 ( -0.858 -1.332 2.042) 2.585 15.572 ( 2.259 -1.101 -4.534) 5.184 15.754 ( 0.373 -0.073 1.572) 1.617 15.768 ( 1.099 0.182 0.824) 1.386 15.838 ( -1.629 1.695 0.591) 2.423 15.866 ( -0.614 2.047 -1.647) 2.698 16.518 ( -0.075 -0.874 1.031) 1.354 16.531 ( 0.424 -0.982 0.141) 1.079 16.558 ( -0.940 -0.812 0.143) 1.250 16.580 ( -0.104 -0.988 -1.422) 1.735 16.636 ( -0.185 -0.436 1.095) 1.193 16.674 ( 1.397 0.034 -2.811) 3.139 16.715 ( 0.232 1.392 2.359) 2.749 16.764 ( 1.218 1.694 -2.748) 3.450 17.848 ( 1.132 0.617 0.006) 1.289 17.869 ( 0.944 0.198 -2.161) 2.367 18.094 ( -1.707 4.652 1.772) 5.262 18.131 ( -1.655 4.645 -1.963) 5.308 18.354 ( 0.424 1.016 0.936) 1.445 18.401 ( 2.072 1.005 -3.949) 4.571 18.594 ( -0.248 3.349 4.001) 5.223 18.651 ( -0.256 2.518 -2.182) 3.342 19.903 ( 0.266 2.020 8.423) 8.666 20.046 ( -0.931 5.503 11.506) 12.789 20.068 ( -0.934 -1.543 -8.815) 8.998 20.255 ( -0.633 4.449 -9.112) 10.160 21.068 ( 0.056 -8.869 13.752) 16.364 21.377 ( 0.338 -12.280 -17.561) 21.431 21.704 ( -0.479 1.505 12.212) 12.314 21.880 ( 0.188 -2.496 -6.726) 7.176 27.907 ( -0.544 -0.754 0.710) 1.170 27.940 ( -0.692 -1.284 -2.397) 2.806 27.963 ( 0.321 -0.254 0.708) 0.818 27.997 ( 0.995 -0.463 -2.403) 2.642 28.386 ( 0.166 -3.300 3.985) 5.176 28.412 ( 1.490 -3.321 2.010) 4.158 28.467 ( -0.906 -4.571 1.230) 4.820 28.493 ( -0.501 -5.144 -0.965) 5.258 28.763 ( -0.207 -3.113 4.751) 5.683 28.785 ( 0.283 -2.698 4.970) 5.662 28.848 ( -0.009 -5.623 -3.480) 6.613 28.871 ( 0.233 -5.283 -3.311) 6.239 29.303 ( 0.404 -0.683 1.631) 1.814 29.345 ( 0.537 -1.916 -2.809) 3.443 29.554 ( -0.516 4.856 4.916) 6.930 29.641 ( -0.981 4.337 -3.896) 5.912 29.823 ( 4.810 0.048 3.590) 6.002 29.887 ( 4.218 0.638 -2.912) 5.165 30.140 ( -6.712 -1.927 4.257) 8.178 30.206 ( -9.262 -0.864 -1.891) 9.492 30.338 ( -5.884 2.413 1.125) 6.459 30.395 ( -2.178 1.932 -4.811) 5.624 30.492 ( -1.382 5.291 2.021) 5.829 30.528 ( -0.291 5.467 -1.852) 5.780 31.598 ( 11.402 -4.686 2.500) 12.578 31.630 ( 12.876 -5.392 -0.758) 13.980 31.861 ( -1.567 -0.503 2.370) 2.885 31.911 ( 0.475 -1.306 -2.620) 2.966 32.089 ( 1.302 9.979 1.116) 10.125 32.155 ( 1.646 8.561 -6.002) 10.584 32.454 ( -6.307 0.282 2.735) 6.880 32.515 ( -4.445 -2.536 -3.391) 6.139 ======================= Grid point 102 (39/45) ======================= q-point: (-0.50 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( 0.000 3.727 8.315) 9.112 1.848 ( 0.000 3.984 0.630) 4.034 1.880 ( -0.000 1.187 6.290) 6.401 1.942 ( 0.000 6.328 -4.335) 7.670 1.958 ( -0.000 -2.544 -0.926) 2.708 2.030 ( 0.000 -0.892 -7.211) 7.266 2.085 ( 0.000 8.725 7.154) 11.283 2.225 ( 0.000 8.491 -4.579) 9.647 2.256 ( 0.000 1.458 2.492) 2.887 2.328 ( 0.000 1.291 -2.985) 3.253 2.329 ( -0.000 3.069 9.266) 9.761 2.404 ( 0.000 1.504 5.850) 6.040 2.440 ( 0.000 -1.095 3.044) 3.235 2.472 ( 0.000 8.827 -6.781) 11.131 2.544 ( -0.000 1.392 -4.421) 4.635 2.579 ( 0.000 2.609 -7.881) 8.301 2.770 ( 0.000 5.631 7.139) 9.093 2.806 ( 0.000 2.857 9.760) 10.169 2.880 ( 0.000 5.068 -4.185) 6.573 2.971 ( 0.000 3.296 -5.452) 6.371 2.999 ( 0.000 0.241 4.489) 4.495 3.024 ( 0.000 -1.305 7.523) 7.635 3.069 ( -0.000 0.577 -1.223) 1.352 3.112 ( 0.000 2.969 -1.647) 3.395 3.215 ( -0.000 6.504 4.788) 8.076 3.230 ( 0.000 0.449 7.453) 7.467 3.287 ( 0.000 9.033 -2.821) 9.463 3.300 ( 0.000 0.282 1.368) 1.397 3.416 ( -0.000 -4.345 5.004) 6.627 3.446 ( 0.000 -0.102 8.591) 8.591 3.579 ( 0.000 -1.812 1.521) 2.366 3.627 ( 0.000 -2.981 -9.232) 9.701 3.716 ( 0.000 1.680 -2.885) 3.339 3.761 ( 0.000 0.063 -11.990) 11.990 3.934 ( 0.000 2.343 5.953) 6.398 3.976 ( 0.000 8.249 -1.277) 8.347 4.048 ( 0.000 1.816 6.306) 6.562 4.152 ( 0.000 1.107 2.669) 2.889 4.198 ( 0.000 -2.032 -0.336) 2.060 4.198 ( -0.000 1.248 -3.957) 4.149 4.265 ( -0.000 -3.895 2.145) 4.446 4.328 ( 0.000 -0.408 1.851) 1.896 4.417 ( -0.000 2.590 -8.202) 8.601 4.435 ( 0.000 -1.249 -2.277) 2.598 4.537 ( -0.000 0.928 4.509) 4.603 4.550 ( 0.000 1.695 6.907) 7.112 4.598 ( 0.000 0.382 -0.246) 0.454 4.636 ( 0.000 0.637 0.866) 1.076 4.703 ( 0.000 -1.112 0.950) 1.463 4.771 ( 0.000 -0.762 2.096) 2.230 4.816 ( 0.000 5.830 -7.522) 9.516 4.868 ( -0.000 1.104 -3.522) 3.691 4.912 ( 0.000 5.744 -4.115) 7.066 5.004 ( 0.000 -2.242 0.885) 2.410 5.032 ( -0.000 7.908 -11.995) 14.367 5.073 ( 0.000 -3.248 -6.299) 7.087 5.198 ( 0.000 5.442 4.407) 7.002 5.250 ( 0.000 2.022 -0.176) 2.030 5.354 ( 0.000 -2.391 0.503) 2.443 5.372 ( 0.000 -1.249 0.798) 1.482 5.427 ( 0.000 0.689 2.136) 2.245 5.514 ( 0.000 4.902 3.552) 6.054 5.537 ( -0.000 2.166 -7.666) 7.966 5.632 ( 0.000 3.139 -6.860) 7.544 5.781 ( 0.000 6.172 7.380) 9.621 5.878 ( 0.000 -1.406 5.277) 5.461 5.915 ( 0.000 4.301 -5.494) 6.977 6.071 ( 0.000 -3.257 -12.982) 13.384 6.294 ( 0.000 -3.785 4.421) 5.820 6.358 ( 0.000 -0.473 -1.454) 1.529 6.503 ( 0.000 -2.177 6.112) 6.488 6.512 ( 0.000 1.398 6.803) 6.945 6.591 ( 0.000 -5.105 -3.706) 6.308 6.598 ( -0.000 -0.099 -1.376) 1.379 6.704 ( -0.000 1.133 3.012) 3.218 6.761 ( 0.000 0.893 -0.874) 1.250 6.810 ( 0.000 -5.585 4.434) 7.131 6.955 ( 0.000 -2.108 -10.985) 11.185 7.283 ( 0.000 8.141 10.872) 13.583 7.444 ( 0.000 8.372 -4.952) 9.727 7.482 ( 0.000 0.929 4.633) 4.726 7.556 ( 0.000 1.356 -3.051) 3.339 7.627 ( 0.000 7.697 3.974) 8.663 7.702 ( 0.000 8.325 -3.908) 9.197 8.100 ( 0.000 0.729 3.601) 3.674 8.140 ( -0.000 2.912 6.531) 7.151 8.168 ( 0.000 -0.845 -4.176) 4.261 8.249 ( 0.000 1.231 -4.958) 5.108 8.959 ( 0.000 -4.159 6.023) 7.319 9.059 ( 0.000 -5.240 -4.459) 6.880 9.118 ( 0.000 -1.267 6.511) 6.633 9.198 ( 0.000 -2.823 -2.073) 3.502 9.257 ( 0.000 -5.836 2.979) 6.552 9.344 ( 0.000 -8.413 -5.801) 10.219 9.578 ( 0.000 0.435 2.712) 2.747 9.617 ( 0.000 -1.502 -1.386) 2.044 10.074 ( 0.000 -8.917 2.244) 9.195 10.130 ( 0.000 -10.083 -3.597) 10.705 10.223 ( 0.000 -6.160 5.386) 8.183 10.304 ( 0.000 -10.486 -2.601) 10.804 10.635 ( 0.000 1.253 1.666) 2.084 10.652 ( 0.000 3.241 0.708) 3.318 10.678 ( -0.000 1.373 -2.575) 2.918 10.678 ( 0.000 2.442 -2.117) 3.232 10.917 ( 0.000 -2.375 6.076) 6.523 10.953 ( 0.000 -0.453 4.334) 4.357 10.958 ( -0.000 -1.894 4.292) 4.692 11.024 ( 0.000 -0.915 -2.717) 2.867 11.038 ( -0.000 -1.507 -3.048) 3.401 11.126 ( 0.000 -1.353 -9.971) 10.062 11.233 ( 0.000 -3.306 13.383) 13.786 11.478 ( 0.000 -7.027 -11.319) 13.323 12.742 ( 0.000 -0.857 3.807) 3.903 12.831 ( 0.000 -0.222 -5.674) 5.678 12.936 ( 0.000 -1.382 5.674) 5.840 13.030 ( 0.000 -0.694 -4.384) 4.439 13.789 ( 0.000 3.285 0.849) 3.393 13.836 ( 0.000 4.578 -3.695) 5.884 13.920 ( 0.000 1.802 2.762) 3.298 13.973 ( 0.000 0.711 -1.706) 1.849 14.076 ( 0.000 3.466 1.876) 3.941 14.133 ( 0.000 2.630 -3.634) 4.486 14.156 ( 0.000 2.848 5.396) 6.102 14.250 ( 0.000 1.146 -4.653) 4.792 14.483 ( 0.000 -0.165 3.515) 3.519 14.484 ( -0.000 -1.182 2.719) 2.965 14.537 ( 0.000 -1.501 -2.833) 3.206 14.544 ( 0.000 -0.373 -3.054) 3.076 15.324 ( 0.000 -3.634 5.235) 6.373 15.425 ( 0.000 -3.349 -5.493) 6.433 15.484 ( 0.000 -1.209 7.078) 7.181 15.595 ( 0.000 -1.240 -4.799) 4.957 15.758 ( 0.000 0.259 1.884) 1.901 15.796 ( -0.000 0.805 -2.173) 2.317 15.804 ( 0.000 1.169 3.626) 3.810 15.859 ( 0.000 1.997 -2.206) 2.975 16.518 ( 0.000 -1.000 1.147) 1.521 16.540 ( 0.000 -0.617 2.041) 2.132 16.542 ( -0.000 -1.142 -1.452) 1.847 16.578 ( 0.000 -1.030 -1.880) 2.143 16.635 ( 0.000 -0.320 1.822) 1.850 16.689 ( 0.000 0.246 -4.002) 4.010 16.718 ( 0.000 1.460 3.142) 3.465 16.778 ( 0.000 1.898 -3.304) 3.810 17.863 ( 0.000 0.395 -0.554) 0.681 17.882 ( 0.000 0.027 -2.477) 2.477 18.072 ( 0.000 4.738 2.552) 5.382 18.112 ( 0.000 4.445 -1.462) 4.679 18.360 ( 0.000 0.934 1.633) 1.881 18.424 ( 0.000 0.899 -5.163) 5.241 18.591 ( 0.000 3.440 3.989) 5.268 18.648 ( 0.000 2.594 -2.155) 3.372 19.907 ( 0.000 1.292 7.816) 7.922 20.035 ( 0.000 6.418 11.804) 13.436 20.057 ( 0.000 -1.779 -7.770) 7.971 20.248 ( 0.000 5.367 -9.469) 10.884 21.069 ( 0.000 -8.810 13.801) 16.373 21.381 ( 0.000 -12.402 -17.911) 21.786 21.698 ( 0.000 1.910 12.581) 12.725 21.883 ( 0.000 -2.607 -7.103) 7.566 27.901 ( 0.000 -1.081 0.489) 1.186 27.932 ( 0.000 -1.655 -2.655) 3.128 27.967 ( 0.000 0.266 1.369) 1.395 28.007 ( 0.000 -0.213 -2.531) 2.540 28.390 ( 0.000 -3.917 4.965) 6.324 28.435 ( 0.000 -3.691 4.682) 5.962 28.450 ( -0.000 -4.306 -2.010) 4.752 28.486 ( 0.000 -4.210 -1.188) 4.374 28.761 ( 0.000 -2.991 5.093) 5.906 28.788 ( 0.000 -2.584 5.179) 5.787 28.848 ( 0.000 -5.786 -3.856) 6.953 28.873 ( 0.000 -5.655 -3.616) 6.712 29.308 ( 0.000 -0.438 1.291) 1.363 29.353 ( 0.000 -1.616 -3.472) 3.830 29.548 ( 0.000 4.504 5.032) 6.753 29.630 ( 0.000 4.600 -3.536) 5.802 29.940 ( 0.000 -2.621 5.660) 6.238 29.953 ( 0.000 1.160 3.888) 4.057 30.027 ( 0.000 2.551 -3.682) 4.480 30.032 ( -0.000 -0.877 -3.827) 3.926 30.286 ( 0.000 0.846 3.417) 3.520 30.381 ( 0.000 1.244 -6.104) 6.229 30.480 ( 0.000 6.425 2.763) 6.994 30.525 ( 0.000 6.384 -2.153) 6.737 31.753 ( 0.000 0.280 3.379) 3.390 31.803 ( 0.000 -4.138 4.271) 5.946 31.820 ( 0.000 0.587 -3.431) 3.481 31.874 ( 0.000 -5.321 -2.444) 5.856 32.123 ( 0.000 8.486 1.389) 8.599 32.207 ( 0.000 4.730 -6.943) 8.401 32.347 ( 0.000 0.464 5.258) 5.278 32.452 ( 0.000 -2.798 -5.506) 6.176 ======================= Grid point 105 (40/45) ======================= q-point: ( 0.00 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( 0.000 8.770 3.446) 9.422 1.698 ( 0.000 2.283 -6.924) 7.291 1.782 ( 0.000 -1.528 8.163) 8.305 1.870 ( 0.000 2.835 0.523) 2.883 1.994 ( 0.000 3.956 5.412) 6.704 2.108 ( 0.000 2.310 -6.630) 7.021 2.176 ( 0.000 2.386 5.084) 5.616 2.226 ( 0.000 -2.313 6.142) 6.563 2.226 ( 0.000 2.692 -0.225) 2.701 2.292 ( 0.000 -2.737 -4.255) 5.059 2.358 ( 0.000 -2.586 -2.331) 3.482 2.361 ( 0.000 -4.587 -0.936) 4.681 2.457 ( 0.000 0.806 3.413) 3.507 2.467 ( 0.000 0.466 1.547) 1.616 2.554 ( 0.000 -1.114 -0.940) 1.457 2.596 ( 0.000 3.600 -4.416) 5.697 2.712 ( 0.000 -0.211 1.900) 1.912 2.730 ( 0.000 -3.239 2.811) 4.289 2.809 ( 0.000 -5.795 6.776) 8.916 2.893 ( 0.000 -5.714 -2.203) 6.124 2.944 ( 0.000 8.449 2.369) 8.774 2.987 ( 0.000 5.443 -1.361) 5.611 3.127 ( 0.000 -2.069 1.102) 2.344 3.137 ( 0.000 -0.957 0.212) 0.980 3.225 ( 0.000 0.349 5.418) 5.429 3.272 ( 0.000 0.541 1.494) 1.589 3.372 ( 0.000 3.209 5.531) 6.395 3.508 ( 0.000 1.977 -2.296) 3.030 3.593 ( 0.000 2.726 -3.588) 4.506 3.601 ( 0.000 3.508 -3.796) 5.168 3.733 ( 0.000 4.139 1.325) 4.345 3.739 ( 0.000 0.162 3.840) 3.844 3.793 ( 0.000 -0.770 1.018) 1.276 3.837 ( 0.000 -2.363 -4.550) 5.127 3.886 ( 0.000 6.531 4.169) 7.748 3.947 ( 0.000 1.732 3.005) 3.468 4.062 ( 0.000 -0.167 -2.260) 2.266 4.116 ( 0.000 1.134 -1.698) 2.042 4.201 ( 0.000 0.190 -0.367) 0.413 4.221 ( 0.000 0.363 1.476) 1.520 4.271 ( 0.000 -0.949 5.407) 5.490 4.282 ( 0.000 1.206 5.942) 6.063 4.437 ( 0.000 -0.684 -6.320) 6.357 4.446 ( 0.000 0.096 -4.717) 4.718 4.498 ( 0.000 3.817 -0.277) 3.827 4.604 ( 0.000 -2.526 -10.344) 10.648 4.756 ( 0.000 0.279 -1.058) 1.095 4.762 ( 0.000 2.052 0.214) 2.063 4.841 ( 0.000 10.414 1.136) 10.476 4.880 ( 0.000 9.240 -1.175) 9.314 4.920 ( 0.000 1.713 -0.621) 1.822 4.948 ( 0.000 0.708 -2.986) 3.069 5.011 ( 0.000 1.085 0.628) 1.253 5.034 ( 0.000 -1.721 -1.023) 2.002 5.140 ( 0.000 6.678 -0.028) 6.678 5.157 ( 0.000 6.123 -2.264) 6.528 5.240 ( 0.000 4.137 1.171) 4.300 5.257 ( 0.000 -2.090 0.908) 2.278 5.327 ( 0.000 2.259 -1.965) 2.994 5.331 ( 0.000 2.131 -3.079) 3.745 5.427 ( 0.000 -1.148 1.094) 1.586 5.465 ( 0.000 -2.236 -3.737) 4.355 5.676 ( 0.000 -0.941 2.430) 2.606 5.700 ( 0.000 -0.268 0.959) 0.995 5.853 ( 0.000 1.929 1.767) 2.616 5.891 ( 0.000 0.441 -2.946) 2.979 5.999 ( 0.000 2.444 1.521) 2.878 6.066 ( 0.000 -4.331 -2.108) 4.816 6.174 ( 0.000 -2.168 4.384) 4.891 6.306 ( 0.000 -0.620 -6.352) 6.383 6.379 ( 0.000 -0.379 3.305) 3.327 6.510 ( 0.000 -2.223 -5.018) 5.489 6.581 ( 0.000 1.525 0.734) 1.692 6.587 ( 0.000 1.794 0.640) 1.905 6.716 ( 0.000 1.210 3.541) 3.742 6.724 ( 0.000 -1.068 0.557) 1.205 6.846 ( 0.000 -1.112 1.450) 1.827 6.856 ( 0.000 -2.284 -2.204) 3.175 7.471 ( 0.000 3.945 4.635) 6.087 7.517 ( 0.000 2.560 0.854) 2.699 7.610 ( 0.000 3.452 -0.170) 3.457 7.624 ( 0.000 3.969 -0.836) 4.056 7.791 ( 0.000 1.371 0.136) 1.377 7.805 ( 0.000 2.425 -0.375) 2.454 7.919 ( 0.000 7.049 3.461) 7.853 7.957 ( 0.000 4.574 -0.572) 4.609 8.395 ( 0.000 3.395 3.326) 4.753 8.442 ( 0.000 1.461 -1.709) 2.248 8.961 ( 0.000 -1.679 2.634) 3.123 9.017 ( 0.000 -1.765 -1.289) 2.185 9.026 ( 0.000 -2.565 0.732) 2.667 9.060 ( 0.000 -2.991 -1.891) 3.539 9.194 ( 0.000 -3.178 -0.251) 3.188 9.221 ( 0.000 -5.396 -3.190) 6.268 9.508 ( 0.000 -1.945 1.443) 2.421 9.534 ( 0.000 0.625 -0.917) 1.110 9.723 ( 0.000 -11.686 4.111) 12.388 9.797 ( 0.000 -12.093 -3.283) 12.531 10.348 ( 0.000 -1.471 0.571) 1.578 10.352 ( 0.000 -2.090 0.155) 2.095 10.628 ( 0.000 3.478 0.470) 3.509 10.657 ( 0.000 2.046 -2.581) 3.294 10.758 ( 0.000 -2.042 1.049) 2.295 10.768 ( 0.000 -1.711 -0.113) 1.715 10.860 ( 0.000 2.228 1.940) 2.954 10.897 ( 0.000 2.185 -0.765) 2.315 10.955 ( 0.000 -2.477 6.647) 7.093 11.011 ( 0.000 -6.633 0.013) 6.633 11.013 ( 0.000 -3.877 6.482) 7.553 11.083 ( 0.000 -3.918 -2.494) 4.644 11.088 ( 0.000 -1.449 -1.176) 1.866 11.203 ( 0.000 -8.578 -9.733) 12.973 12.740 ( 0.000 2.592 0.955) 2.762 12.772 ( 0.000 0.989 -2.632) 2.812 12.951 ( 0.000 -0.612 0.549) 0.822 12.965 ( 0.000 -1.334 -0.832) 1.573 13.857 ( 0.000 2.051 0.413) 2.092 13.869 ( 0.000 1.119 0.076) 1.122 13.988 ( 0.000 1.284 0.092) 1.287 14.024 ( 0.000 -0.810 -2.357) 2.493 14.134 ( 0.000 1.732 2.215) 2.812 14.163 ( 0.000 0.030 -0.989) 0.989 14.238 ( 0.000 4.315 3.354) 5.465 14.284 ( 0.000 2.592 -1.315) 2.907 14.459 ( 0.000 -0.087 2.712) 2.713 14.476 ( 0.000 -0.299 1.934) 1.957 14.537 ( 0.000 -1.104 -3.169) 3.356 14.538 ( 0.000 -0.373 -2.340) 2.369 15.331 ( 0.000 -1.369 3.800) 4.039 15.343 ( 0.000 -1.923 2.787) 3.386 15.504 ( 0.000 -0.562 -2.703) 2.761 15.505 ( 0.000 -0.836 -3.020) 3.134 15.748 ( 0.000 0.250 1.724) 1.742 15.758 ( 0.000 -0.045 0.922) 0.923 15.887 ( 0.000 1.334 0.277) 1.363 15.901 ( 0.000 0.762 -0.900) 1.179 16.516 ( 0.000 0.166 -0.047) 0.172 16.516 ( 0.000 0.080 -0.348) 0.357 16.562 ( 0.000 -0.610 0.354) 0.705 16.563 ( 0.000 -0.346 0.082) 0.356 16.630 ( 0.000 -0.492 -0.199) 0.531 16.643 ( 0.000 -0.730 -1.354) 1.538 16.738 ( 0.000 1.227 1.334) 1.812 16.764 ( 0.000 0.174 -1.428) 1.438 17.850 ( 0.000 0.686 -0.625) 0.928 17.862 ( 0.000 0.055 -1.855) 1.856 18.188 ( 0.000 3.007 1.520) 3.369 18.215 ( 0.000 1.738 -1.018) 2.015 18.385 ( 0.000 1.651 -1.553) 2.267 18.391 ( 0.000 1.049 -1.782) 2.067 18.651 ( 0.000 2.375 2.906) 3.753 18.686 ( 0.000 0.800 -0.771) 1.111 19.939 ( 0.000 1.805 5.182) 5.487 20.030 ( 0.000 -3.028 -4.240) 5.211 20.176 ( 0.000 7.047 11.322) 13.336 20.328 ( 0.000 1.717 -2.044) 2.669 20.956 ( 0.000 -2.196 2.945) 3.674 21.157 ( 0.000 -10.309 -15.453) 18.576 21.728 ( 0.000 1.192 7.476) 7.570 21.820 ( 0.000 -3.364 -2.282) 4.065 27.910 ( 0.000 -0.159 -0.254) 0.300 27.930 ( 0.000 -1.141 -2.184) 2.464 27.948 ( 0.000 -0.407 -0.685) 0.797 27.961 ( 0.000 -0.918 -1.834) 2.051 28.335 ( 0.000 -1.744 2.503) 3.051 28.348 ( 0.000 -1.964 1.234) 2.319 28.394 ( 0.000 -3.341 0.983) 3.483 28.399 ( 0.000 -3.926 0.566) 3.967 28.733 ( 0.000 -0.630 2.317) 2.401 28.745 ( 0.000 -1.218 1.904) 2.260 28.796 ( 0.000 -0.884 -0.736) 1.151 28.810 ( 0.000 -1.648 -1.350) 2.131 29.288 ( 0.000 -0.187 0.394) 0.436 29.307 ( 0.000 -1.283 -1.578) 2.034 29.632 ( 0.000 2.604 6.788) 7.270 29.697 ( 0.000 0.072 1.834) 1.836 29.821 ( 0.000 4.075 2.767) 4.926 29.885 ( 0.000 2.685 -4.515) 5.253 30.135 ( 0.000 -2.291 2.278) 3.231 30.240 ( 0.000 -4.598 -7.225) 8.564 30.459 ( 0.000 0.973 0.667) 1.180 30.480 ( 0.000 -0.244 -1.902) 1.917 30.572 ( 0.000 3.058 0.707) 3.139 30.590 ( 0.000 2.438 -1.262) 2.745 31.371 ( 0.000 -3.282 0.613) 3.339 31.373 ( 0.000 -3.489 0.228) 3.497 31.859 ( 0.000 -1.377 1.151) 1.795 31.872 ( 0.000 -1.555 -0.670) 1.693 32.262 ( 0.000 8.100 1.879) 8.315 32.321 ( 0.000 6.799 -4.137) 7.959 32.522 ( 0.000 -0.095 -0.201) 0.223 32.523 ( 0.000 -1.815 -0.253) 1.833 ======================= Grid point 106 (41/45) ======================= q-point: ( 0.25 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( 4.887 2.040 6.104) 8.081 1.799 ( 5.367 -0.519 3.087) 6.213 1.814 ( 6.402 0.695 -2.713) 6.988 1.913 ( 1.865 -2.279 -4.650) 5.504 2.041 ( 3.209 5.464 6.493) 9.072 2.091 ( -1.910 3.290 1.445) 4.069 2.186 ( 4.100 4.536 1.411) 6.275 2.219 ( 0.376 -0.358 -2.340) 2.397 2.272 ( 2.687 -0.981 3.363) 4.415 2.325 ( 3.792 1.096 -0.626) 3.997 2.357 ( 0.324 -1.042 4.269) 4.406 2.416 ( -1.612 -2.207 4.621) 5.369 2.439 ( 4.451 -0.741 -0.945) 4.611 2.500 ( 2.826 1.645 -2.106) 3.889 2.553 ( 0.873 -1.920 -2.433) 3.220 2.608 ( 2.226 5.801 -7.664) 9.867 2.723 ( 3.833 -0.823 0.596) 3.965 2.758 ( 4.099 1.030 0.269) 4.235 2.907 ( 6.888 -1.450 6.031) 9.270 2.934 ( 3.420 -1.019 2.235) 4.211 2.969 ( 2.907 1.535 0.499) 3.325 3.002 ( 1.831 4.451 0.040) 4.813 3.099 ( -2.444 -0.551 2.567) 3.587 3.132 ( 0.033 -1.411 -0.089) 1.415 3.211 ( -1.970 -0.752 6.207) 6.555 3.277 ( 0.209 0.296 0.579) 0.683 3.321 ( -3.754 2.467 5.639) 7.210 3.457 ( -8.043 1.434 4.187) 9.181 3.484 ( -4.642 0.898 0.365) 4.742 3.562 ( -3.572 3.878 -5.979) 7.971 3.663 ( -6.146 0.145 -5.525) 8.266 3.707 ( -8.573 -1.455 1.675) 8.855 3.798 ( -1.712 3.954 -1.951) 4.729 3.846 ( 2.773 0.046 -0.893) 2.913 3.911 ( 0.757 0.394 -2.553) 2.692 3.944 ( 2.434 -2.513 -0.117) 3.500 4.029 ( -2.441 0.269 2.680) 3.635 4.141 ( 0.002 -1.138 0.629) 1.300 4.187 ( -2.481 -1.774 0.520) 3.094 4.221 ( 1.035 3.401 2.571) 4.388 4.270 ( 0.334 2.944 2.064) 3.611 4.332 ( 5.002 -0.662 1.799) 5.356 4.361 ( -2.816 0.323 -3.547) 4.541 4.456 ( 1.663 0.256 -6.709) 6.917 4.551 ( 2.026 4.057 2.687) 5.272 4.653 ( -0.624 3.494 -4.025) 5.367 4.692 ( -3.652 -0.005 1.944) 4.137 4.750 ( -1.866 3.376 -3.715) 5.356 4.804 ( -5.209 2.019 1.499) 5.784 4.833 ( -1.401 7.702 1.637) 7.997 4.900 ( -0.221 3.581 -0.635) 3.643 4.956 ( -1.168 5.859 -3.733) 7.044 4.975 ( -2.766 -2.414 -1.066) 3.823 5.019 ( 0.517 1.419 -1.660) 2.245 5.122 ( -1.390 8.231 -0.149) 8.349 5.193 ( 0.410 6.819 -4.635) 8.255 5.223 ( 0.086 0.307 3.222) 3.238 5.281 ( 1.304 0.817 -3.216) 3.565 5.299 ( 0.420 0.507 1.151) 1.326 5.340 ( 0.339 -0.214 -2.388) 2.422 5.425 ( 0.971 0.628 2.532) 2.784 5.494 ( 2.358 -0.756 -3.868) 4.592 5.649 ( -2.516 -1.481 2.393) 3.775 5.686 ( -1.895 0.713 -0.717) 2.148 5.859 ( 0.447 0.823 0.791) 1.226 5.910 ( 1.912 -0.378 -1.981) 2.779 5.948 ( -4.535 3.621 0.367) 5.815 6.023 ( -3.398 -3.281 -5.012) 6.887 6.204 ( 3.046 -2.746 5.532) 6.886 6.341 ( 2.309 -0.491 -5.555) 6.036 6.406 ( 2.095 -1.195 5.046) 5.593 6.499 ( -0.024 -1.083 -1.881) 2.171 6.600 ( -0.171 0.803 1.527) 1.734 6.621 ( 0.187 0.786 0.276) 0.853 6.692 ( -0.034 -0.104 1.182) 1.188 6.734 ( 1.520 0.279 0.820) 1.750 6.803 ( -2.860 -1.017 2.619) 4.009 6.875 ( 1.656 -2.301 -6.538) 7.126 7.464 ( -1.512 5.171 7.121) 8.929 7.506 ( -0.770 2.808 3.318) 4.414 7.588 ( -1.037 2.048 -2.295) 3.246 7.610 ( -1.489 5.087 -1.907) 5.632 7.778 ( -1.505 4.114 2.451) 5.020 7.820 ( 1.395 3.222 -2.097) 4.090 7.990 ( 7.325 4.000 3.197) 8.937 8.036 ( 7.690 3.075 -1.388) 8.397 8.335 ( -6.208 3.321 3.692) 7.950 8.387 ( -5.774 1.226 -1.839) 6.183 8.926 ( -2.134 -1.488 2.485) 3.597 8.990 ( -1.628 -3.448 -3.624) 5.261 9.067 ( 2.896 -1.062 2.529) 3.989 9.104 ( 2.974 -2.877 -1.229) 4.316 9.181 ( -1.200 -3.515 -0.168) 3.718 9.214 ( -0.700 -5.362 -3.677) 6.539 9.525 ( 1.191 -2.710 2.527) 3.892 9.563 ( 2.155 -0.777 -1.221) 2.596 9.793 ( 7.352 -9.302 3.264) 12.298 9.857 ( 6.411 -10.151 -3.177) 12.420 10.259 ( -8.412 -2.375 1.329) 8.842 10.274 ( -7.531 -3.240 -0.246) 8.202 10.640 ( 1.139 2.622 0.831) 2.977 10.674 ( 1.572 1.969 -2.661) 3.665 10.742 ( -1.615 0.435 0.712) 1.817 10.757 ( -1.285 0.103 -0.847) 1.543 10.877 ( 1.628 0.350 3.641) 4.003 10.891 ( -1.277 -0.541 3.860) 4.101 10.942 ( 0.997 -1.999 1.194) 2.533 10.983 ( -1.086 -2.539 1.686) 3.235 11.035 ( -1.805 -2.767 -2.798) 4.330 11.065 ( 0.363 -4.632 -1.591) 4.911 11.106 ( 1.476 -4.783 3.862) 6.322 11.257 ( 3.629 -9.016 -7.809) 12.467 12.742 ( 0.631 1.702 2.807) 3.343 12.814 ( 3.264 1.734 -4.541) 5.855 12.931 ( -1.128 -0.831 2.853) 3.179 12.993 ( 1.703 -0.991 -3.568) 4.075 13.842 ( -0.812 1.532 2.255) 2.844 13.891 ( 1.529 1.848 -1.848) 3.028 13.965 ( -1.960 1.113 0.502) 2.309 14.004 ( -1.570 -0.114 -2.217) 2.719 14.137 ( 0.130 2.184 2.332) 3.197 14.169 ( 0.535 0.516 -1.001) 1.247 14.227 ( -1.021 3.626 3.234) 4.965 14.273 ( -0.930 1.644 -1.469) 2.392 14.461 ( 0.104 -0.596 2.455) 2.528 14.479 ( 0.343 -0.012 2.573) 2.596 14.523 ( -0.774 -0.955 -2.731) 2.995 14.544 ( 0.132 -0.093 -2.924) 2.929 15.291 ( -1.973 -1.787 4.647) 5.355 15.371 ( 0.765 -1.740 -2.157) 2.875 15.468 ( -0.924 -0.778 2.811) 3.059 15.552 ( 2.062 -0.799 -4.556) 5.064 15.757 ( 0.720 0.301 1.843) 2.002 15.773 ( 1.615 0.230 0.905) 1.865 15.865 ( -2.078 1.004 0.784) 2.438 15.895 ( -0.514 1.016 -1.714) 2.058 16.511 ( -0.204 0.080 0.454) 0.504 16.523 ( 0.377 0.036 -0.296) 0.480 16.547 ( -0.946 -0.392 0.378) 1.091 16.564 ( -0.248 -0.640 -0.894) 1.127 16.624 ( -0.039 -0.624 1.448) 1.577 16.668 ( 1.617 -0.494 -2.963) 3.412 16.738 ( 0.172 0.927 2.616) 2.781 16.785 ( 1.581 0.606 -2.300) 2.856 17.860 ( 0.888 0.514 -0.895) 1.361 17.874 ( 1.001 0.245 -2.266) 2.489 18.166 ( -1.812 2.754 1.894) 3.802 18.195 ( -1.714 2.013 -0.794) 2.760 18.378 ( 0.226 1.203 0.750) 1.436 18.425 ( 1.959 1.238 -4.077) 4.690 18.648 ( -0.297 2.228 3.062) 3.799 18.684 ( -0.162 0.925 -0.837) 1.258 19.937 ( -0.130 1.785 4.911) 5.227 20.024 ( -0.539 -2.659 -3.998) 4.831 20.173 ( -0.306 7.155 11.451) 13.506 20.327 ( -0.084 1.787 -2.180) 2.820 20.956 ( 0.016 -2.260 3.064) 3.808 21.159 ( 0.179 -10.370 -15.560) 18.699 21.727 ( -0.091 1.301 7.555) 7.667 21.820 ( 0.059 -3.406 -2.377) 4.154 27.895 ( -0.972 -0.441 -0.528) 1.190 27.912 ( -1.116 -1.384 -2.285) 2.895 27.961 ( 0.953 0.057 -0.041) 0.956 27.983 ( 1.280 -0.846 -2.048) 2.559 28.334 ( -0.054 -1.727 2.966) 3.433 28.356 ( 0.707 -2.417 0.941) 2.688 28.387 ( -0.630 -3.291 1.318) 3.601 28.401 ( 0.108 -3.759 0.044) 3.760 28.729 ( -0.271 -0.855 2.825) 2.964 28.754 ( 0.722 -0.879 1.952) 2.260 28.789 ( -0.601 -1.272 -0.930) 1.686 28.813 ( 0.230 -1.369 -1.714) 2.206 29.293 ( 0.430 -0.349 0.494) 0.742 29.317 ( 0.880 -1.076 -2.026) 2.457 29.618 ( -1.059 2.033 7.010) 7.376 29.706 ( 0.515 1.859 -0.612) 2.024 29.850 ( 3.320 2.717 3.823) 5.746 29.915 ( 3.023 1.915 -2.843) 4.570 30.102 ( -3.770 -1.647 1.547) 4.396 30.173 ( -7.026 -2.498 -4.368) 8.642 30.362 ( -7.127 0.621 -0.144) 7.156 30.395 ( -3.921 -1.144 -3.968) 5.694 30.580 ( 0.195 3.595 1.804) 4.027 30.611 ( 0.798 2.960 -1.642) 3.477 31.516 ( 12.507 -3.296 1.558) 13.028 31.533 ( 13.430 -4.001 -0.247) 14.016 31.838 ( -2.414 -1.531 2.172) 3.590 31.874 ( -1.099 -2.211 -1.619) 2.952 32.261 ( 0.545 7.528 1.358) 7.669 32.310 ( -0.550 6.268 -3.716) 7.307 32.464 ( -5.451 0.426 0.082) 5.468 32.477 ( -4.377 -1.247 -1.120) 4.687 ======================= Grid point 107 (42/45) ======================= q-point: (-0.50 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( 0.000 -4.005 7.221) 8.257 1.869 ( 0.000 -1.112 5.198) 5.316 1.892 ( -0.000 -3.411 -6.503) 7.344 1.902 ( 0.000 -2.692 2.348) 3.573 2.031 ( 0.000 4.240 1.695) 4.566 2.126 ( 0.000 5.931 -8.050) 9.999 2.189 ( 0.000 3.741 9.898) 10.582 2.279 ( -0.000 1.731 3.911) 4.277 2.309 ( 0.000 0.182 2.712) 2.719 2.339 ( 0.000 -0.247 -0.015) 0.248 2.357 ( 0.000 -1.450 5.781) 5.960 2.423 ( 0.000 0.955 -2.485) 2.662 2.451 ( 0.000 4.434 -1.303) 4.621 2.517 ( 0.000 -2.591 -7.763) 8.184 2.598 ( 0.000 2.862 -3.037) 4.173 2.653 ( 0.000 7.260 -8.949) 11.523 2.857 ( 0.000 0.728 1.880) 2.016 2.888 ( -0.000 5.633 13.902) 14.999 2.940 ( 0.000 1.362 -5.102) 5.281 2.983 ( 0.000 -1.343 4.291) 4.496 3.026 ( -0.584 0.713 -1.333) 1.621 3.026 ( 0.584 4.829 11.182) 12.194 3.063 ( -0.000 0.615 -2.486) 2.561 3.135 ( 0.000 -0.790 -1.736) 1.907 3.225 ( -0.000 -0.759 6.962) 7.003 3.277 ( -0.000 -0.633 7.220) 7.247 3.281 ( 0.000 -3.234 2.552) 4.120 3.338 ( 0.000 -2.771 2.189) 3.532 3.395 ( 0.000 0.273 6.563) 6.568 3.510 ( 0.000 4.214 -9.423) 10.322 3.545 ( 0.000 -4.698 -13.122) 13.937 3.570 ( 0.000 -1.734 -3.361) 3.782 3.750 ( 0.000 8.996 2.636) 9.374 3.887 ( 0.000 -2.743 9.811) 10.187 3.894 ( -0.000 4.448 -8.888) 9.939 4.024 ( 0.000 -3.086 1.500) 3.431 4.067 ( -0.000 -3.368 -1.348) 3.628 4.083 ( 0.000 0.926 0.404) 1.011 4.114 ( -0.000 -5.473 -4.065) 6.818 4.224 ( 0.000 0.978 -0.095) 0.983 4.332 ( 0.000 -5.961 -3.618) 6.973 4.347 ( 0.000 6.435 6.216) 8.947 4.409 ( 0.000 3.590 -7.396) 8.221 4.419 ( -0.000 -0.767 -1.690) 1.855 4.572 ( 0.000 3.042 5.297) 6.109 4.624 ( -0.000 2.957 3.565) 4.631 4.631 ( 0.000 2.179 4.295) 4.816 4.702 ( 0.000 6.160 -2.272) 6.566 4.784 ( 0.000 2.773 -1.764) 3.287 4.836 ( 0.000 11.861 6.305) 13.432 4.901 ( 0.000 1.347 -1.931) 2.354 4.936 ( 0.000 7.244 -3.973) 8.262 4.950 ( 0.000 -3.334 -5.485) 6.419 5.017 ( 0.000 -1.624 -5.979) 6.196 5.097 ( 0.000 11.537 1.142) 11.593 5.204 ( 0.000 8.816 -6.787) 11.126 5.238 ( 0.000 -2.014 4.935) 5.330 5.288 ( 0.000 1.585 -1.708) 2.330 5.302 ( 0.000 -2.292 2.672) 3.520 5.341 ( 0.000 -2.585 -1.010) 2.775 5.458 ( 0.000 2.453 1.902) 3.104 5.566 ( 0.000 -0.178 -7.341) 7.343 5.568 ( -0.000 0.732 5.051) 5.103 5.663 ( 0.000 1.024 -3.401) 3.552 5.865 ( 0.000 0.375 1.102) 1.164 5.885 ( 0.000 3.938 2.645) 4.744 5.960 ( 0.000 -5.800 -5.716) 8.143 5.965 ( -0.000 0.670 -3.936) 3.993 6.239 ( 0.000 -2.583 4.868) 5.511 6.360 ( 0.000 0.553 -5.384) 5.412 6.443 ( 0.000 -2.668 6.327) 6.867 6.532 ( -0.000 -1.903 -3.008) 3.560 6.545 ( 0.000 1.881 3.917) 4.345 6.593 ( 0.000 -0.387 -1.060) 1.128 6.735 ( -0.000 1.805 4.475) 4.825 6.737 ( 0.000 -2.015 3.879) 4.371 6.772 ( -0.000 0.503 1.787) 1.856 6.907 ( 0.000 -2.797 -15.002) 15.261 7.427 ( 0.000 6.299 13.390) 14.798 7.509 ( 0.000 1.811 3.793) 4.203 7.584 ( 0.000 1.570 -3.880) 4.186 7.586 ( -0.000 6.173 -3.512) 7.102 7.761 ( 0.000 5.037 3.353) 6.051 7.833 ( 0.000 4.306 -3.955) 5.846 8.137 ( 0.000 2.860 2.857) 4.043 8.178 ( -0.000 2.336 -1.567) 2.813 8.203 ( -0.000 3.249 4.759) 5.762 8.268 ( 0.000 0.404 -1.977) 2.018 8.904 ( 0.000 -1.457 2.441) 2.843 8.973 ( 0.000 -3.536 -4.359) 5.613 9.101 ( 0.000 -0.525 3.570) 3.608 9.142 ( 0.000 -2.808 -0.797) 2.918 9.161 ( 0.000 -3.934 -0.355) 3.950 9.203 ( 0.000 -5.664 -4.652) 7.330 9.537 ( 0.000 -3.667 3.410) 5.007 9.586 ( 0.000 -2.306 -1.459) 2.729 9.923 ( -0.000 -6.443 1.946) 6.731 9.976 ( 0.000 -6.199 -3.519) 7.129 10.118 ( 0.000 -4.259 2.872) 5.137 10.149 ( 0.000 -5.468 -0.412) 5.483 10.658 ( 0.000 0.933 1.247) 1.557 10.700 ( 0.000 0.730 -2.951) 3.040 10.717 ( 0.000 3.207 0.617) 3.266 10.733 ( 0.000 2.929 -1.192) 3.163 10.869 ( 0.000 -2.435 6.948) 7.362 10.923 ( 0.000 -1.330 2.273) 2.634 10.932 ( 0.000 -1.328 3.600) 3.837 10.992 ( 0.000 -2.373 -2.418) 3.388 11.004 ( -0.000 -1.680 -2.394) 2.925 11.062 ( 0.000 -3.823 -7.631) 8.535 11.126 ( 0.000 -6.151 9.719) 11.502 11.295 ( 0.000 -9.609 -7.368) 12.109 12.752 ( 0.000 1.286 4.033) 4.233 12.855 ( 0.000 1.945 -6.959) 7.226 12.915 ( 0.000 -0.665 5.177) 5.220 13.012 ( 0.000 -0.990 -5.218) 5.311 13.833 ( 0.000 1.416 3.274) 3.567 13.915 ( 0.000 2.820 -4.824) 5.588 13.936 ( 0.000 0.269 2.630) 2.644 13.985 ( 0.000 0.529 -1.989) 2.058 14.138 ( 0.000 2.847 2.599) 3.855 14.177 ( 0.000 1.399 -1.636) 2.153 14.212 ( 0.000 2.837 3.802) 4.743 14.262 ( 0.000 0.206 -1.698) 1.711 14.461 ( 0.000 -0.992 2.294) 2.499 14.484 ( 0.000 0.209 3.568) 3.575 14.514 ( 0.000 -0.879 -3.344) 3.458 14.544 ( 0.000 0.257 -2.946) 2.958 15.271 ( 0.000 -1.913 4.768) 5.138 15.374 ( 0.000 -1.878 -6.141) 6.422 15.463 ( 0.000 -0.801 6.879) 6.925 15.573 ( 0.000 -0.927 -4.829) 4.917 15.766 ( 0.000 0.412 2.274) 2.310 15.810 ( -0.000 0.603 -2.531) 2.602 15.823 ( 0.000 0.709 4.404) 4.461 15.889 ( 0.000 1.070 -2.578) 2.791 16.509 ( 0.000 0.019 0.845) 0.845 16.531 ( 0.000 -0.369 1.626) 1.667 16.533 ( -0.000 -0.014 -1.575) 1.575 16.561 ( 0.000 -0.702 -1.495) 1.651 16.625 ( 0.000 -0.558 2.376) 2.441 16.686 ( 0.000 -0.467 -4.056) 4.083 16.741 ( 0.000 0.888 3.676) 3.782 16.803 ( 0.000 0.763 -2.893) 2.992 17.871 ( 0.000 0.360 -1.283) 1.333 17.886 ( 0.000 0.396 -2.727) 2.756 18.144 ( 0.000 2.689 2.406) 3.608 18.174 ( 0.000 2.059 -0.448) 2.107 18.383 ( 0.000 1.128 1.585) 1.946 18.446 ( 0.000 1.108 -5.038) 5.158 18.644 ( 0.000 2.077 3.250) 3.857 18.682 ( 0.000 1.055 -0.900) 1.387 19.936 ( 0.000 1.765 4.637) 4.961 20.017 ( 0.000 -2.295 -3.763) 4.407 20.169 ( 0.000 7.264 11.587) 13.676 20.326 ( 0.000 1.855 -2.314) 2.966 20.956 ( 0.000 -2.323 3.182) 3.940 21.161 ( 0.000 -10.428 -15.665) 18.818 21.726 ( 0.000 1.405 7.631) 7.760 21.821 ( 0.000 -3.444 -2.469) 4.238 27.885 ( 0.000 -0.589 -0.649) 0.876 27.901 ( 0.000 -1.468 -2.284) 2.715 27.972 ( 0.000 0.225 0.192) 0.296 27.996 ( 0.000 -0.766 -2.108) 2.242 28.334 ( 0.000 -1.781 3.364) 3.807 28.369 ( 0.000 -3.601 -0.672) 3.663 28.375 ( -0.000 -2.334 2.877) 3.704 28.402 ( 0.000 -3.698 -0.312) 3.711 28.726 ( 0.000 -0.923 3.185) 3.316 28.764 ( 0.000 -0.311 3.375) 3.389 28.780 ( 0.000 -1.897 -2.416) 3.072 28.816 ( 0.000 -1.236 -2.011) 2.361 29.298 ( 0.000 -0.442 0.638) 0.776 29.328 ( 0.000 -0.943 -2.581) 2.748 29.606 ( 0.000 1.775 7.187) 7.403 29.710 ( 0.000 3.168 -2.501) 4.036 29.920 ( 0.000 0.801 4.371) 4.444 29.976 ( 0.000 0.997 5.149) 5.245 30.010 ( -0.000 -1.739 -3.893) 4.264 30.071 ( -0.000 1.759 -4.427) 4.764 30.289 ( 0.000 0.237 0.904) 0.934 30.363 ( 0.000 -2.483 -6.266) 6.740 30.580 ( 0.000 3.956 2.302) 4.577 30.617 ( 0.000 3.187 -1.742) 3.632 31.723 ( 0.000 -3.188 2.822) 4.258 31.730 ( -0.000 -2.108 4.418) 4.896 31.764 ( 0.000 -4.696 -1.530) 4.939 31.804 ( -0.000 -1.738 -3.184) 3.628 32.284 ( 0.000 6.737 0.420) 6.750 32.326 ( 0.000 5.502 -3.759) 6.663 32.368 ( 0.000 1.588 1.951) 2.515 32.415 ( 0.000 -1.121 -2.759) 2.978 ======================= Grid point 110 (43/45) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( 0.000 -2.553 -2.980) 3.924 1.703 ( 0.000 2.553 -2.980) 3.924 1.811 ( 0.000 -4.797 4.973) 6.910 1.811 ( 0.000 4.797 4.973) 6.910 2.095 ( 0.000 -3.469 -1.622) 3.829 2.095 ( 0.000 3.469 -1.622) 3.829 2.211 ( 0.000 -3.641 -1.718) 4.026 2.211 ( 0.000 3.641 -1.718) 4.026 2.256 ( 0.000 -2.539 4.233) 4.936 2.256 ( 0.000 2.539 4.233) 4.936 2.296 ( 0.000 -1.846 -3.978) 4.386 2.296 ( 0.000 1.846 -3.978) 4.386 2.468 ( 0.000 -0.060 6.802) 6.802 2.468 ( 0.000 0.060 6.802) 6.802 2.621 ( 0.000 -3.205 2.722) 4.205 2.621 ( 0.000 3.205 2.722) 4.205 2.694 ( 0.000 -1.185 1.917) 2.253 2.694 ( 0.000 1.185 1.917) 2.253 2.780 ( 0.000 -5.074 -2.339) 5.587 2.780 ( 0.000 5.074 -2.339) 5.587 3.055 ( 0.000 -0.940 -0.959) 1.343 3.055 ( 0.000 0.940 -0.959) 1.343 3.093 ( 0.000 -1.244 1.064) 1.637 3.093 ( 0.000 1.244 1.064) 1.637 3.257 ( 0.000 -2.021 6.226) 6.546 3.257 ( 0.000 2.021 6.226) 6.546 3.455 ( 0.000 -4.614 1.031) 4.728 3.455 ( 0.000 4.614 1.031) 4.728 3.634 ( 0.000 -0.257 3.448) 3.458 3.634 ( 0.000 0.257 3.448) 3.458 3.711 ( 0.000 -2.413 -12.889) 13.113 3.711 ( 0.000 2.413 -12.889) 13.113 3.837 ( 0.000 -0.665 5.063) 5.107 3.837 ( 0.000 0.665 5.063) 5.107 3.952 ( 0.000 -0.442 3.257) 3.286 3.952 ( 0.000 0.442 3.257) 3.286 4.103 ( 0.000 -1.652 -3.622) 3.980 4.103 ( 0.000 1.652 -3.622) 3.980 4.199 ( 0.000 -0.789 -1.242) 1.471 4.199 ( 0.000 0.789 -1.242) 1.471 4.281 ( 0.000 -0.137 6.841) 6.842 4.281 ( 0.000 0.137 6.841) 6.842 4.438 ( 0.000 -0.579 -7.851) 7.873 4.438 ( 0.000 0.579 -7.851) 7.873 4.583 ( 0.000 -1.332 -1.603) 2.084 4.583 ( 0.000 1.332 -1.603) 2.084 4.745 ( 0.000 -1.168 -2.400) 2.670 4.745 ( 0.000 1.168 -2.400) 2.670 4.929 ( 0.000 -1.902 -0.376) 1.939 4.929 ( 0.000 1.902 -0.376) 1.939 4.992 ( 0.000 -1.401 0.414) 1.461 4.992 ( 0.000 1.401 0.414) 1.461 5.053 ( 0.000 -1.818 -0.786) 1.981 5.053 ( 0.000 1.818 -0.786) 1.981 5.183 ( 0.000 -0.007 2.650) 2.650 5.183 ( 0.000 0.007 2.650) 2.650 5.262 ( 0.000 -1.762 1.017) 2.034 5.262 ( 0.000 1.762 1.017) 2.034 5.364 ( 0.000 -0.000 -3.575) 3.575 5.364 ( 0.000 0.000 -3.575) 3.575 5.426 ( 0.000 -0.966 0.016) 0.966 5.426 ( 0.000 0.966 0.016) 0.966 5.678 ( 0.000 -1.414 -0.895) 1.673 5.678 ( 0.000 1.414 -0.895) 1.673 5.876 ( 0.000 -1.016 -1.334) 1.677 5.876 ( 0.000 1.016 -1.334) 1.677 6.024 ( 0.000 -0.658 1.200) 1.369 6.024 ( 0.000 0.658 1.200) 1.369 6.222 ( 0.000 -5.474 4.358) 6.997 6.222 ( 0.000 5.474 4.358) 6.997 6.439 ( 0.000 -4.377 -7.880) 9.014 6.439 ( 0.000 4.377 -7.880) 9.014 6.603 ( 0.000 -0.352 1.072) 1.128 6.603 ( 0.000 0.352 1.072) 1.128 6.724 ( 0.000 -0.467 1.893) 1.950 6.724 ( 0.000 0.467 1.893) 1.950 6.828 ( 0.000 -0.000 0.650) 0.650 6.828 ( 0.000 0.000 0.650) 0.650 7.529 ( 0.000 -1.396 1.663) 2.171 7.529 ( 0.000 1.396 1.663) 2.171 7.659 ( 0.000 -0.475 0.673) 0.824 7.659 ( 0.000 0.475 0.673) 0.824 7.809 ( 0.000 -0.654 -1.496) 1.633 7.809 ( 0.000 0.654 -1.496) 1.633 8.011 ( 0.000 -0.747 3.208) 3.293 8.011 ( 0.000 0.747 3.208) 3.293 8.445 ( 0.000 -1.367 1.351) 1.922 8.445 ( 0.000 1.367 1.351) 1.922 8.965 ( 0.000 -1.806 -1.235) 2.188 8.965 ( 0.000 1.806 -1.235) 2.188 9.020 ( 0.000 -0.770 -0.573) 0.960 9.020 ( 0.000 0.770 -0.573) 0.960 9.166 ( 0.000 -0.414 -1.744) 1.792 9.166 ( 0.000 0.414 -1.744) 1.792 9.529 ( 0.000 -3.753 3.095) 4.865 9.529 ( 0.000 3.753 3.095) 4.865 9.616 ( 0.000 -5.034 -2.491) 5.616 9.616 ( 0.000 5.034 -2.491) 5.616 10.332 ( 0.000 -0.000 0.224) 0.224 10.332 ( 0.000 0.000 0.224) 0.224 10.679 ( 0.000 -0.879 -1.186) 1.476 10.679 ( 0.000 0.879 -1.186) 1.476 10.737 ( 0.000 -0.715 0.224) 0.749 10.737 ( 0.000 0.715 0.224) 0.749 10.895 ( 0.000 -0.477 3.171) 3.206 10.895 ( 0.000 0.477 3.171) 3.206 10.923 ( 0.000 -0.036 6.243) 6.243 10.923 ( 0.000 0.036 6.243) 6.243 11.012 ( 0.000 -3.183 -2.017) 3.769 11.012 ( 0.000 3.183 -2.017) 3.769 11.099 ( 0.000 -2.251 -5.858) 6.276 11.099 ( 0.000 2.251 -5.858) 6.276 12.777 ( 0.000 -0.547 -1.013) 1.151 12.777 ( 0.000 0.547 -1.013) 1.151 12.947 ( 0.000 -0.149 -0.180) 0.234 12.947 ( 0.000 0.149 -0.180) 0.234 13.877 ( 0.000 -0.076 0.336) 0.344 13.877 ( 0.000 0.076 0.336) 0.344 14.008 ( 0.000 -0.813 -1.628) 1.820 14.008 ( 0.000 0.813 -1.628) 1.820 14.157 ( 0.000 -0.683 0.915) 1.142 14.157 ( 0.000 0.683 0.915) 1.142 14.297 ( 0.000 -1.407 1.610) 2.138 14.297 ( 0.000 1.407 1.610) 2.138 14.463 ( 0.000 -0.499 2.956) 2.998 14.463 ( 0.000 0.499 2.956) 2.998 14.532 ( 0.000 -0.104 -3.453) 3.454 14.532 ( 0.000 0.104 -3.453) 3.454 15.321 ( 0.000 -0.096 3.015) 3.017 15.321 ( 0.000 0.096 3.015) 3.017 15.498 ( 0.000 -0.001 -2.753) 2.753 15.498 ( 0.000 0.001 -2.753) 2.753 15.754 ( 0.000 -0.307 1.409) 1.442 15.754 ( 0.000 0.307 1.409) 1.442 15.904 ( 0.000 -0.300 -0.317) 0.437 15.904 ( 0.000 0.300 -0.317) 0.437 16.520 ( 0.000 -0.000 -0.523) 0.523 16.520 ( 0.000 0.000 -0.523) 0.523 16.557 ( 0.000 -0.076 0.756) 0.760 16.557 ( 0.000 0.076 0.756) 0.760 16.630 ( 0.000 -0.238 -0.954) 0.983 16.630 ( 0.000 0.238 -0.954) 0.983 16.757 ( 0.000 -0.563 0.011) 0.563 16.757 ( 0.000 0.563 0.011) 0.563 17.860 ( 0.000 -0.283 -1.409) 1.437 17.860 ( 0.000 0.283 -1.409) 1.437 18.224 ( 0.000 -0.673 0.597) 0.899 18.224 ( 0.000 0.673 0.597) 0.899 18.402 ( 0.000 -0.010 -1.709) 1.709 18.402 ( 0.000 0.010 -1.709) 1.709 18.684 ( 0.000 -0.938 1.023) 1.388 18.684 ( 0.000 0.938 1.023) 1.388 19.978 ( 0.000 -2.386 0.725) 2.494 19.978 ( 0.000 2.386 0.725) 2.494 20.297 ( 0.000 -4.762 7.672) 9.029 20.297 ( 0.000 4.762 7.672) 9.029 20.996 ( 0.000 -5.998 -9.544) 11.272 20.996 ( 0.000 5.998 -9.544) 11.272 21.762 ( 0.000 -2.470 2.443) 3.474 21.762 ( 0.000 2.470 2.443) 3.474 27.913 ( 0.000 -0.549 -1.504) 1.601 27.913 ( 0.000 0.549 -1.504) 1.601 27.948 ( 0.000 -0.377 -1.298) 1.352 27.948 ( 0.000 0.377 -1.298) 1.352 28.324 ( 0.000 -0.431 1.237) 1.310 28.324 ( 0.000 0.431 1.237) 1.310 28.361 ( 0.000 -0.004 1.374) 1.374 28.361 ( 0.000 0.004 1.374) 1.374 28.731 ( 0.000 -0.194 1.501) 1.514 28.731 ( 0.000 0.194 1.501) 1.514 28.793 ( 0.000 -0.250 -0.541) 0.596 28.793 ( 0.000 0.250 -0.541) 0.596 29.290 ( 0.000 -0.426 -0.721) 0.838 29.290 ( 0.000 0.426 -0.721) 0.838 29.674 ( 0.000 -1.652 6.352) 6.564 29.674 ( 0.000 1.652 6.352) 6.564 29.893 ( 0.000 -2.389 0.041) 2.390 29.893 ( 0.000 2.389 0.041) 2.390 30.149 ( 0.000 -3.862 -5.625) 6.823 30.149 ( 0.000 3.862 -5.625) 6.823 30.471 ( 0.000 -0.504 -0.505) 0.714 30.471 ( 0.000 0.504 -0.505) 0.714 30.610 ( 0.000 -0.403 -0.323) 0.516 30.610 ( 0.000 0.403 -0.323) 0.516 31.339 ( 0.000 -0.015 0.437) 0.437 31.339 ( 0.000 0.015 0.437) 0.437 31.848 ( 0.000 -0.356 0.395) 0.532 31.848 ( 0.000 0.356 0.395) 0.532 32.370 ( 0.000 -2.334 0.130) 2.338 32.370 ( 0.000 2.334 0.130) 2.338 32.510 ( 0.000 -0.678 -1.109) 1.300 32.510 ( 0.000 0.678 -1.109) 1.300 ======================= Grid point 112 (44/45) ======================= q-point: ( 0.25 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( -2.801 0.000 5.091) 5.811 1.796 ( 4.509 0.000 -0.778) 4.576 1.825 ( 4.296 0.000 1.189) 4.457 1.858 ( 2.997 0.000 -0.817) 3.106 2.103 ( 2.702 0.000 1.570) 3.125 2.113 ( -0.819 -0.000 1.098) 1.370 2.210 ( 2.223 0.000 1.683) 2.788 2.244 ( 1.290 0.000 1.454) 1.944 2.286 ( 3.653 0.000 3.176) 4.840 2.298 ( 2.067 0.000 3.748) 4.280 2.354 ( 5.936 0.000 -1.910) 6.236 2.388 ( 6.492 0.000 -8.042) 10.335 2.412 ( -0.615 0.000 4.262) 4.306 2.524 ( 1.725 0.000 -1.081) 2.036 2.593 ( 4.444 0.000 3.923) 5.928 2.646 ( 0.637 -0.000 -0.976) 1.165 2.718 ( 5.645 0.000 -0.673) 5.685 2.789 ( 5.856 0.000 -3.139) 6.644 2.854 ( 9.805 0.000 2.541) 10.129 2.873 ( 7.122 0.000 -0.189) 7.125 3.033 ( -1.607 0.000 4.275) 4.567 3.071 ( 0.093 0.000 1.149) 1.152 3.082 ( -0.083 -0.000 0.289) 0.301 3.091 ( 0.415 0.000 -1.387) 1.447 3.222 ( -2.347 -0.000 6.626) 7.029 3.270 ( 0.250 0.000 5.075) 5.081 3.405 ( -8.533 -0.000 -0.026) 8.533 3.409 ( -3.682 0.000 2.902) 4.689 3.500 ( -7.733 0.000 6.799) 10.296 3.586 ( -9.004 0.000 -7.012) 11.412 3.650 ( -4.546 0.000 -7.114) 8.442 3.659 ( -5.679 0.000 -1.082) 5.781 3.829 ( -1.637 -0.000 4.181) 4.490 3.829 ( -1.049 0.000 2.676) 2.875 3.943 ( 1.789 0.000 -1.469) 2.315 3.960 ( 4.257 0.000 -2.705) 5.044 4.053 ( -5.153 0.000 -3.985) 6.514 4.095 ( -3.256 0.000 -1.156) 3.455 4.184 ( -0.053 -0.000 -2.745) 2.746 4.196 ( -2.748 0.000 -1.467) 3.115 4.313 ( -0.572 0.000 3.255) 3.305 4.336 ( 5.163 0.000 1.718) 5.441 4.411 ( 2.625 0.000 -1.460) 3.004 4.420 ( -1.424 -0.000 -2.865) 3.199 4.621 ( 2.293 -0.000 4.930) 5.437 4.661 ( -0.769 0.000 0.698) 1.039 4.724 ( 0.020 -0.000 -5.179) 5.179 4.748 ( 0.063 0.000 -5.029) 5.029 4.830 ( -5.286 0.000 0.612) 5.321 4.907 ( -1.938 0.000 -5.190) 5.540 4.955 ( -0.138 0.000 2.317) 2.321 4.967 ( -1.421 0.000 2.750) 3.095 5.034 ( -0.770 0.000 0.853) 1.150 5.057 ( -2.228 0.000 -2.585) 3.413 5.208 ( -0.302 0.000 4.118) 4.129 5.212 ( -0.907 -0.000 3.530) 3.645 5.251 ( 2.272 0.000 -0.317) 2.294 5.266 ( -0.439 -0.000 -0.575) 0.723 5.332 ( 0.189 0.000 -4.176) 4.181 5.333 ( -0.144 0.000 -2.859) 2.863 5.454 ( 2.407 0.000 0.196) 2.415 5.480 ( 2.687 0.000 -4.895) 5.585 5.617 ( -3.731 0.000 3.974) 5.451 5.684 ( -0.600 0.000 -2.705) 2.770 5.858 ( -0.773 0.000 2.382) 2.504 5.903 ( 1.752 0.000 -3.709) 4.102 5.992 ( -2.360 -0.000 -1.621) 2.863 6.000 ( -4.524 0.000 -2.948) 5.400 6.189 ( 1.436 0.000 10.045) 10.147 6.298 ( 4.034 0.000 2.651) 4.827 6.445 ( 2.376 -0.000 -4.036) 4.684 6.459 ( -0.729 0.000 -5.144) 5.196 6.611 ( -0.661 0.000 1.364) 1.516 6.629 ( -0.710 0.000 -0.565) 0.908 6.714 ( -0.823 -0.000 0.310) 0.879 6.715 ( 2.448 0.000 0.838) 2.587 6.798 ( -1.564 0.000 3.319) 3.669 6.845 ( 1.165 0.000 -5.193) 5.322 7.523 ( 0.435 0.000 2.723) 2.757 7.531 ( -1.776 -0.000 6.112) 6.365 7.615 ( -1.944 0.000 -0.412) 1.987 7.666 ( -0.779 0.000 -1.710) 1.879 7.807 ( -0.026 0.000 1.110) 1.110 7.844 ( 2.244 0.000 -3.080) 3.811 8.039 ( 5.803 0.000 4.640) 7.430 8.086 ( 6.051 0.000 0.263) 6.056 8.379 ( -6.457 0.000 2.127) 6.798 8.394 ( -5.785 0.000 0.792) 5.839 8.919 ( -2.221 0.000 -0.192) 2.229 8.949 ( -1.488 0.000 -3.351) 3.666 9.056 ( 3.002 0.000 0.788) 3.104 9.072 ( 3.034 0.000 -0.872) 3.156 9.146 ( -1.481 0.000 -0.777) 1.673 9.163 ( -0.723 0.000 -2.923) 3.011 9.498 ( -0.729 0.000 3.914) 3.981 9.552 ( 0.067 0.000 -1.170) 1.171 9.700 ( 9.731 0.000 0.991) 9.781 9.739 ( 10.055 0.000 -2.398) 10.337 10.238 ( -9.055 0.000 0.603) 9.075 10.241 ( -8.792 0.000 0.142) 8.794 10.669 ( -0.246 0.000 0.413) 0.481 10.698 ( 0.836 0.000 -2.500) 2.636 10.745 ( 0.832 0.000 0.517) 0.980 10.750 ( 1.055 0.000 0.046) 1.056 10.865 ( -2.100 0.000 7.804) 8.081 10.905 ( 0.689 0.000 2.246) 2.350 10.914 ( 0.795 0.000 1.506) 1.703 10.956 ( 0.074 0.000 1.816) 1.817 10.996 ( -0.868 0.000 -2.074) 2.248 11.017 ( 0.293 0.000 -2.294) 2.313 11.060 ( -0.459 0.000 -0.246) 0.521 11.164 ( 2.838 0.000 -5.976) 6.615 12.762 ( 0.217 0.000 2.641) 2.650 12.834 ( 3.487 0.000 -4.572) 5.750 12.923 ( -0.967 0.000 2.455) 2.638 12.982 ( 1.735 0.000 -3.596) 3.993 13.856 ( -0.925 0.000 2.644) 2.801 13.906 ( 1.653 0.000 -1.121) 1.997 13.978 ( -2.179 0.000 -1.114) 2.447 14.001 ( -0.873 0.000 -2.106) 2.280 14.165 ( 0.850 -0.000 1.062) 1.360 14.167 ( 0.816 0.000 0.775) 1.125 14.275 ( -1.786 0.000 1.707) 2.470 14.280 ( -1.769 0.000 1.300) 2.195 14.454 ( -0.248 0.000 2.378) 2.391 14.478 ( 0.770 0.000 3.119) 3.212 14.515 ( -0.808 0.000 -3.317) 3.414 14.544 ( 0.418 0.000 -3.123) 3.151 15.274 ( -2.085 0.000 4.440) 4.905 15.354 ( 0.686 0.000 -2.540) 2.631 15.461 ( -0.955 0.000 2.962) 3.112 15.544 ( 1.961 0.000 -4.547) 4.952 15.761 ( 0.703 0.000 1.849) 1.978 15.775 ( 1.910 0.000 1.068) 2.188 15.875 ( -2.272 0.000 0.771) 2.399 15.905 ( -0.397 0.000 -1.706) 1.751 16.514 ( -0.258 0.000 0.251) 0.360 16.525 ( 0.209 0.000 -0.355) 0.412 16.543 ( -0.805 0.000 0.354) 0.880 16.558 ( -0.297 0.000 -0.501) 0.583 16.617 ( -0.037 0.000 1.418) 1.418 16.662 ( 1.651 0.000 -2.960) 3.390 16.747 ( 0.053 0.000 2.479) 2.480 16.790 ( 1.799 0.000 -1.905) 2.620 17.865 ( 0.722 0.000 -1.199) 1.400 17.877 ( 1.199 0.000 -2.302) 2.595 18.193 ( -2.005 0.000 1.645) 2.593 18.212 ( -1.507 0.000 -0.110) 1.511 18.391 ( 0.134 0.000 0.784) 0.795 18.438 ( 1.840 0.000 -4.023) 4.424 18.672 ( -0.625 0.000 2.129) 2.219 18.690 ( 0.148 0.000 0.091) 0.173 19.975 ( -0.190 -0.000 0.713) 0.738 19.976 ( -0.152 0.000 0.619) 0.638 20.284 ( -0.620 -0.000 8.487) 8.510 20.306 ( 0.317 0.000 6.883) 6.890 20.985 ( -0.425 0.000 -8.664) 8.674 21.008 ( 0.519 -0.000 -10.366) 10.379 21.759 ( -0.123 0.000 2.768) 2.771 21.765 ( 0.132 -0.000 2.119) 2.123 27.893 ( -1.214 0.000 -1.354) 1.818 27.895 ( -1.089 0.000 -1.750) 2.061 27.964 ( 1.095 0.000 -1.021) 1.497 27.971 ( 1.357 0.000 -1.416) 1.961 28.323 ( -0.057 0.000 1.725) 1.726 28.327 ( 0.147 -0.000 0.952) 0.964 28.356 ( -0.253 0.000 1.743) 1.762 28.363 ( 0.087 0.000 0.762) 0.767 28.722 ( -0.349 0.000 2.263) 2.290 28.746 ( 0.875 0.000 0.849) 1.219 28.779 ( -0.794 0.000 0.057) 0.796 28.802 ( 0.377 0.000 -1.253) 1.309 29.290 ( 0.266 0.000 0.088) 0.281 29.306 ( 1.053 0.000 -1.745) 2.038 29.638 ( -1.520 0.000 8.192) 8.332 29.718 ( 2.061 0.000 2.015) 2.882 29.896 ( 1.742 0.000 1.707) 2.439 29.928 ( 2.482 0.000 -0.182) 2.489 30.094 ( -5.169 0.000 -2.468) 5.728 30.132 ( -2.482 0.000 -5.497) 6.032 30.373 ( -6.308 0.000 -1.597) 6.507 30.375 ( -6.262 -0.000 -1.959) 6.561 30.617 ( 0.518 0.000 1.237) 1.341 30.638 ( 0.997 0.000 -1.138) 1.513 31.484 ( 12.633 0.000 1.095) 12.680 31.493 ( 13.107 0.000 0.231) 13.109 31.821 ( -2.759 0.000 1.797) 3.293 31.849 ( -1.480 0.000 -0.873) 1.718 32.353 ( -1.084 0.000 -0.032) 1.084 32.360 ( -0.353 -0.000 -0.644) 0.735 32.459 ( -4.317 0.000 -0.489) 4.345 32.472 ( -4.013 0.000 -1.611) 4.325 ======================= Grid point 114 (45/45) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( 0.000 0.000 6.869) 6.869 1.843 ( 0.000 0.000 -5.972) 5.972 1.859 ( -0.000 0.000 4.160) 4.160 1.872 ( -0.000 0.000 4.612) 4.612 2.108 ( 0.000 0.000 1.290) 1.290 2.121 ( 0.000 -0.000 0.123) 0.123 2.256 ( 0.000 0.000 11.270) 11.270 2.261 ( -0.000 0.000 4.348) 4.348 2.315 ( 0.000 -0.000 3.495) 3.495 2.327 ( -0.000 0.000 1.403) 1.403 2.343 ( 0.000 0.000 3.410) 3.410 2.469 ( 0.000 0.000 -9.938) 9.938 2.483 ( 0.000 0.000 -13.142) 13.142 2.500 ( 0.000 0.000 -5.740) 5.740 2.644 ( 0.000 0.000 0.601) 0.601 2.730 ( 0.000 0.000 1.086) 1.086 2.862 ( 0.000 0.000 -6.205) 6.205 2.923 ( -0.000 0.000 -3.616) 3.616 2.957 ( -0.000 0.000 6.108) 6.108 2.971 ( -0.000 0.000 4.332) 4.332 3.038 ( -0.000 0.000 6.678) 6.678 3.077 ( 0.000 0.000 1.804) 1.804 3.109 ( 0.000 0.000 1.281) 1.281 3.120 ( 0.000 -0.000 -2.081) 2.081 3.204 ( 0.000 0.000 6.380) 6.380 3.217 ( -0.000 0.000 1.621) 1.621 3.267 ( 0.000 0.000 11.975) 11.975 3.315 ( 0.000 0.000 1.350) 1.350 3.390 ( 0.000 0.000 7.342) 7.342 3.496 ( 0.000 0.000 -8.174) 8.174 3.538 ( 0.000 -0.000 -4.921) 4.921 3.544 ( 0.000 0.000 -8.732) 8.732 3.850 ( 0.000 0.000 2.346) 2.346 3.861 ( 0.000 0.000 5.213) 5.213 3.920 ( -0.000 0.000 -3.213) 3.213 3.977 ( 0.000 0.000 1.645) 1.645 4.032 ( 0.000 0.000 -1.322) 1.322 4.085 ( 0.000 0.000 -5.358) 5.358 4.128 ( -0.000 0.000 -2.853) 2.853 4.183 ( 0.000 0.000 -10.353) 10.353 4.282 ( 0.000 0.000 8.142) 8.142 4.392 ( 0.000 0.000 0.448) 0.448 4.421 ( -0.000 0.000 -2.833) 2.833 4.434 ( 0.000 0.000 -6.078) 6.078 4.625 ( 0.000 0.000 8.607) 8.607 4.651 ( 0.000 0.000 9.116) 9.116 4.658 ( -0.000 0.000 3.572) 3.572 4.772 ( 0.000 0.000 -7.385) 7.385 4.841 ( 0.000 0.000 -6.216) 6.216 4.896 ( 0.000 0.000 -4.964) 4.964 4.930 ( 0.000 0.000 -1.611) 1.611 4.990 ( 0.000 0.000 4.461) 4.461 4.996 ( -0.000 0.000 -4.267) 4.267 5.030 ( 0.000 0.000 1.661) 1.661 5.184 ( 0.000 0.000 6.762) 6.762 5.203 ( 0.000 0.000 1.731) 1.731 5.288 ( 0.000 0.000 0.086) 0.086 5.292 ( 0.000 -0.000 -0.379) 0.379 5.318 ( 0.000 0.000 -3.515) 3.515 5.325 ( 0.000 0.000 -5.777) 5.777 5.499 ( 0.000 0.000 0.072) 0.072 5.513 ( 0.000 -0.000 -4.908) 4.908 5.569 ( 0.000 0.000 6.147) 6.147 5.674 ( 0.000 0.000 -3.778) 3.778 5.859 ( 0.000 0.000 2.449) 2.449 5.929 ( 0.000 0.000 -6.306) 6.306 5.932 ( -0.000 0.000 -0.449) 0.449 5.956 ( 0.000 0.000 -1.538) 1.538 6.211 ( 0.000 0.000 9.546) 9.546 6.344 ( 0.000 0.000 0.379) 0.379 6.455 ( 0.000 -0.000 -1.124) 1.124 6.497 ( -0.000 0.000 -4.775) 4.775 6.569 ( 0.000 0.000 2.226) 2.226 6.585 ( 0.000 0.000 0.857) 0.857 6.722 ( 0.000 0.000 2.488) 2.488 6.757 ( 0.000 0.000 3.804) 3.804 6.777 ( 0.000 0.000 2.937) 2.937 6.872 ( 0.000 0.000 -16.369) 16.369 7.493 ( 0.000 0.000 14.729) 14.729 7.532 ( 0.000 0.000 3.302) 3.302 7.603 ( 0.000 0.000 -3.966) 3.966 7.652 ( 0.000 0.000 -3.139) 3.139 7.804 ( 0.000 0.000 2.260) 2.260 7.867 ( 0.000 0.000 -4.499) 4.499 8.174 ( -0.000 0.000 4.069) 4.069 8.218 ( 0.000 0.000 -0.000) 0.000 8.245 ( 0.000 0.000 2.434) 2.434 8.263 ( 0.000 -0.000 0.715) 0.715 8.896 ( 0.000 0.000 -0.075) 0.075 8.934 ( 0.000 0.000 -3.960) 3.960 9.097 ( 0.000 0.000 1.651) 1.651 9.109 ( 0.000 0.000 0.333) 0.333 9.120 ( 0.000 0.000 -1.107) 1.107 9.149 ( 0.000 0.000 -4.465) 4.465 9.492 ( 0.000 0.000 4.217) 4.217 9.553 ( 0.000 0.000 -1.875) 1.875 9.856 ( 0.000 0.000 1.891) 1.891 9.910 ( 0.000 0.000 -3.744) 3.744 10.078 ( 0.000 0.000 2.249) 2.249 10.097 ( 0.000 0.000 -0.277) 0.277 10.667 ( 0.000 0.000 1.122) 1.122 10.706 ( 0.000 0.000 -2.797) 2.797 10.756 ( 0.000 0.000 0.746) 0.746 10.764 ( 0.000 0.000 -0.239) 0.239 10.842 ( 0.000 0.000 7.500) 7.500 10.911 ( 0.000 0.000 0.939) 0.939 10.923 ( 0.000 0.000 1.648) 1.648 10.951 ( 0.000 0.000 0.028) 0.028 10.987 ( 0.000 0.000 -2.053) 2.053 11.020 ( 0.000 0.000 -6.401) 6.401 11.062 ( 0.000 0.000 6.762) 6.762 11.193 ( 0.000 0.000 -5.815) 5.815 12.768 ( 0.000 0.000 4.241) 4.241 12.878 ( 0.000 0.000 -7.495) 7.495 12.909 ( 0.000 0.000 4.707) 4.707 13.001 ( 0.000 0.000 -5.280) 5.280 13.846 ( 0.000 0.000 3.985) 3.985 13.938 ( -0.000 0.000 2.981) 2.981 13.940 ( 0.000 0.000 -5.499) 5.499 13.990 ( 0.000 0.000 -2.281) 2.281 14.178 ( 0.000 -0.000 1.064) 1.064 14.178 ( 0.000 0.000 0.837) 0.837 14.252 ( 0.000 0.000 1.532) 1.532 14.255 ( 0.000 0.000 1.290) 1.290 14.452 ( 0.000 0.000 2.023) 2.023 14.487 ( 0.000 0.000 3.591) 3.591 14.505 ( 0.000 0.000 -3.651) 3.651 14.548 ( 0.000 0.000 -2.868) 2.868 15.253 ( 0.000 0.000 4.565) 4.565 15.356 ( 0.000 0.000 -6.337) 6.337 15.456 ( 0.000 0.000 6.758) 6.758 15.564 ( 0.000 0.000 -4.828) 4.828 15.770 ( 0.000 0.000 2.380) 2.380 15.816 ( -0.000 0.000 -2.612) 2.612 15.830 ( 0.000 0.000 4.650) 4.650 15.899 ( 0.000 0.000 -2.682) 2.682 16.511 ( 0.000 0.000 0.746) 0.746 16.527 ( 0.000 0.000 1.430) 1.430 16.534 ( -0.000 0.000 -1.532) 1.532 16.554 ( 0.000 0.000 -1.298) 1.298 16.619 ( 0.000 0.000 2.462) 2.462 16.679 ( 0.000 0.000 -3.968) 3.968 16.750 ( 0.000 0.000 3.732) 3.732 16.810 ( 0.000 0.000 -2.592) 2.592 17.875 ( 0.000 0.000 -1.393) 1.393 17.891 ( 0.000 0.000 -2.957) 2.957 18.170 ( 0.000 0.000 2.184) 2.184 18.193 ( 0.000 0.000 0.081) 0.081 18.394 ( 0.000 0.000 1.606) 1.606 18.458 ( 0.000 0.000 -4.943) 4.943 18.665 ( 0.000 0.000 2.726) 2.726 18.691 ( 0.000 0.000 -0.282) 0.282 19.973 ( 0.000 -0.000 0.669) 0.669 19.974 ( 0.000 0.000 0.545) 0.545 20.277 ( 0.000 -0.000 8.844) 8.844 20.309 ( 0.000 0.000 6.553) 6.553 20.981 ( 0.000 0.000 -8.277) 8.277 21.013 ( 0.000 -0.000 -10.694) 10.694 21.758 ( 0.000 0.000 2.903) 2.903 21.767 ( 0.000 -0.000 1.986) 1.986 27.881 ( 0.000 0.000 -1.326) 1.326 27.884 ( 0.000 0.000 -1.846) 1.846 27.976 ( 0.000 0.000 -0.849) 0.849 27.986 ( 0.000 0.000 -1.454) 1.454 28.322 ( 0.000 0.000 1.993) 1.993 28.329 ( 0.000 -0.000 0.866) 0.866 28.353 ( 0.000 0.000 1.853) 1.853 28.364 ( 0.000 0.000 0.432) 0.432 28.718 ( 0.000 0.000 2.619) 2.619 28.763 ( -0.112 0.000 -2.043) 2.046 28.763 ( 0.112 0.000 2.923) 2.925 28.806 ( 0.000 0.000 -1.588) 1.588 29.294 ( 0.000 0.000 0.458) 0.458 29.319 ( 0.000 0.000 -2.370) 2.370 29.622 ( 0.000 0.000 8.663) 8.663 29.739 ( 0.000 0.000 -1.308) 1.308 29.960 ( 0.000 0.000 -1.452) 1.452 29.965 ( 0.000 -0.000 0.540) 0.540 29.986 ( -0.000 0.000 5.597) 5.597 30.088 ( 0.000 0.000 -4.706) 4.706 30.311 ( 0.000 0.000 -3.378) 3.378 30.314 ( 0.000 -0.000 -3.775) 3.775 30.621 ( 0.000 0.000 1.669) 1.669 30.646 ( 0.000 0.000 -1.161) 1.161 31.694 ( 0.000 0.000 1.946) 1.946 31.704 ( 0.000 0.000 4.890) 4.890 31.716 ( -0.000 0.000 -0.766) 0.766 31.782 ( 0.000 0.000 -3.125) 3.125 32.352 ( 0.000 0.000 0.157) 0.157 32.380 ( 0.000 0.000 -2.597) 2.597 32.395 ( -0.000 0.000 -0.554) 0.554 32.398 ( 0.000 -0.000 -0.623) 0.623 =================== 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 3/30720 10.0 315.061 310.533 343.014 0.000 0.000 0.000 3/30720 20.0 45.627 43.689 48.665 0.000 0.000 0.000 3/30720 30.0 15.739 15.551 17.906 0.000 0.000 0.000 3/30720 40.0 8.263 8.324 9.753 0.000 0.000 0.000 3/30720 50.0 5.367 5.484 6.499 0.000 0.000 0.000 3/30720 60.0 3.924 4.057 4.847 0.000 0.000 0.000 3/30720 70.0 3.082 3.221 3.871 0.000 0.000 0.000 3/30720 80.0 2.538 2.677 3.232 0.000 0.000 0.000 3/30720 90.0 2.158 2.298 2.783 0.000 0.000 0.000 3/30720 100.0 1.879 2.018 2.449 0.000 0.000 0.000 3/30720 110.0 1.666 1.804 2.192 0.000 0.000 0.000 3/30720 120.0 1.497 1.633 1.988 0.000 0.000 0.000 3/30720 130.0 1.361 1.495 1.822 0.000 0.000 0.000 3/30720 140.0 1.248 1.380 1.685 0.000 0.000 0.000 3/30720 150.0 1.153 1.283 1.569 0.000 0.000 0.000 3/30720 160.0 1.072 1.200 1.470 0.000 0.000 0.000 3/30720 170.0 1.003 1.128 1.385 0.000 0.000 0.000 3/30720 180.0 0.942 1.065 1.310 0.000 0.000 0.000 3/30720 190.0 0.888 1.009 1.245 0.000 0.000 0.000 3/30720 200.0 0.841 0.960 1.187 0.000 0.000 0.000 3/30720 210.0 0.799 0.916 1.136 0.000 0.000 0.000 3/30720 220.0 0.761 0.876 1.089 0.000 0.000 0.000 3/30720 230.0 0.726 0.841 1.047 0.000 0.000 0.000 3/30720 240.0 0.695 0.808 1.009 0.000 0.000 0.000 3/30720 250.0 0.667 0.778 0.974 0.000 0.000 0.000 3/30720 260.0 0.641 0.750 0.942 0.000 0.000 0.000 3/30720 270.0 0.617 0.725 0.912 0.000 0.000 0.000 3/30720 280.0 0.595 0.702 0.885 0.000 0.000 0.000 3/30720 290.0 0.575 0.680 0.859 0.000 0.000 0.000 3/30720 300.0 0.556 0.660 0.835 0.000 0.000 0.000 3/30720 310.0 0.539 0.641 0.813 0.000 0.000 0.000 3/30720 320.0 0.522 0.623 0.792 0.000 0.000 0.000 3/30720 330.0 0.507 0.606 0.772 0.000 0.000 0.000 3/30720 340.0 0.493 0.590 0.753 0.000 0.000 0.000 3/30720 350.0 0.479 0.575 0.735 0.000 0.000 0.000 3/30720 360.0 0.466 0.561 0.718 0.000 0.000 0.000 3/30720 370.0 0.454 0.548 0.702 0.000 0.000 0.000 3/30720 380.0 0.443 0.535 0.687 0.000 0.000 0.000 3/30720 390.0 0.432 0.523 0.672 0.000 0.000 0.000 3/30720 400.0 0.422 0.512 0.658 0.000 0.000 0.000 3/30720 410.0 0.412 0.501 0.645 0.000 0.000 0.000 3/30720 420.0 0.403 0.490 0.632 0.000 0.000 0.000 3/30720 430.0 0.394 0.480 0.619 0.000 0.000 0.000 3/30720 440.0 0.386 0.470 0.607 0.000 0.000 0.000 3/30720 450.0 0.377 0.461 0.596 0.000 0.000 0.000 3/30720 460.0 0.370 0.452 0.585 0.000 0.000 0.000 3/30720 470.0 0.362 0.444 0.574 0.000 0.000 0.000 3/30720 480.0 0.355 0.435 0.564 0.000 0.000 0.000 3/30720 490.0 0.348 0.428 0.554 0.000 0.000 0.000 3/30720 500.0 0.342 0.420 0.545 0.000 0.000 0.000 3/30720 510.0 0.336 0.413 0.536 0.000 0.000 0.000 3/30720 520.0 0.329 0.405 0.527 0.000 0.000 0.000 3/30720 530.0 0.324 0.399 0.518 0.000 0.000 0.000 3/30720 540.0 0.318 0.392 0.510 0.000 0.000 0.000 3/30720 550.0 0.313 0.386 0.502 0.000 0.000 0.000 3/30720 560.0 0.307 0.379 0.494 0.000 0.000 0.000 3/30720 570.0 0.302 0.373 0.486 0.000 0.000 0.000 3/30720 580.0 0.297 0.368 0.479 0.000 0.000 0.000 3/30720 590.0 0.292 0.362 0.472 0.000 0.000 0.000 3/30720 600.0 0.288 0.356 0.465 0.000 0.000 0.000 3/30720 610.0 0.283 0.351 0.458 0.000 0.000 0.000 3/30720 620.0 0.279 0.346 0.451 0.000 0.000 0.000 3/30720 630.0 0.275 0.341 0.445 0.000 0.000 0.000 3/30720 640.0 0.271 0.336 0.439 0.000 0.000 0.000 3/30720 650.0 0.267 0.331 0.433 0.000 0.000 0.000 3/30720 660.0 0.263 0.327 0.427 0.000 0.000 0.000 3/30720 670.0 0.259 0.322 0.421 0.000 0.000 0.000 3/30720 680.0 0.256 0.318 0.416 0.000 0.000 0.000 3/30720 690.0 0.252 0.314 0.410 0.000 0.000 0.000 3/30720 700.0 0.249 0.309 0.405 0.000 0.000 0.000 3/30720 710.0 0.245 0.305 0.400 0.000 0.000 0.000 3/30720 720.0 0.242 0.302 0.395 0.000 0.000 0.000 3/30720 730.0 0.239 0.298 0.390 0.000 0.000 0.000 3/30720 740.0 0.236 0.294 0.385 0.000 0.000 0.000 3/30720 750.0 0.233 0.290 0.380 0.000 0.000 0.000 3/30720 760.0 0.230 0.287 0.376 0.000 0.000 0.000 3/30720 770.0 0.227 0.283 0.371 0.000 0.000 0.000 3/30720 780.0 0.224 0.280 0.367 0.000 0.000 0.000 3/30720 790.0 0.222 0.277 0.363 0.000 0.000 0.000 3/30720 800.0 0.219 0.273 0.358 0.000 0.000 0.000 3/30720 810.0 0.216 0.270 0.354 0.000 0.000 0.000 3/30720 820.0 0.214 0.267 0.350 0.000 0.000 0.000 3/30720 830.0 0.211 0.264 0.346 0.000 0.000 0.000 3/30720 840.0 0.209 0.261 0.343 0.000 0.000 0.000 3/30720 850.0 0.207 0.258 0.339 0.000 0.000 0.000 3/30720 860.0 0.204 0.255 0.335 0.000 0.000 0.000 3/30720 870.0 0.202 0.253 0.332 0.000 0.000 0.000 3/30720 880.0 0.200 0.250 0.328 0.000 0.000 0.000 3/30720 890.0 0.198 0.247 0.325 0.000 0.000 0.000 3/30720 900.0 0.196 0.245 0.321 0.000 0.000 0.000 3/30720 910.0 0.193 0.242 0.318 0.000 0.000 0.000 3/30720 920.0 0.191 0.240 0.315 0.000 0.000 0.000 3/30720 930.0 0.189 0.237 0.312 0.000 0.000 0.000 3/30720 940.0 0.187 0.235 0.308 0.000 0.000 0.000 3/30720 950.0 0.186 0.232 0.305 0.000 0.000 0.000 3/30720 960.0 0.184 0.230 0.302 0.000 0.000 0.000 3/30720 970.0 0.182 0.228 0.299 0.000 0.000 0.000 3/30720 980.0 0.180 0.226 0.297 0.000 0.000 0.000 3/30720 990.0 0.178 0.223 0.294 0.000 0.000 0.000 3/30720 1000.0 0.177 0.221 0.291 0.000 0.000 0.000 3/30720 Thermal conductivity related properties were written into "kappa-m485.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:42:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|