----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 10:33:19]------------------------- Compiled with OpenMP support (max 32 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 13.215247070070287 0.000000000000000 0.000000000000000 b 0.000000000000000 5.366941000000000 0.000000000000000 c -6.803673715291733 0.000000000000000 11.591781730666657 Atomic positions (fractional): *1 Nb 0.06314839713015 0.75527828714061 0.69755825873680 92.906 2 Nb 0.93685160286985 0.25527828714061 0.80244174126320 92.906 3 Nb 0.93685160286985 0.24472171285939 0.30244174126320 92.906 4 Nb 0.06314839713015 0.74472171285939 0.19755825873680 92.906 *5 Nb 0.56316144922289 0.74700487485131 0.36567206289190 92.906 6 Nb 0.43683855077711 0.24700487485131 0.13432793710810 92.906 7 Nb 0.43683855077711 0.25299512514869 0.63432793710810 92.906 8 Nb 0.56316144922289 0.75299512514869 0.86567206289190 92.906 *9 P 0.34646867503753 0.74040301452633 0.93776244153451 30.974 10 P 0.65353132496247 0.24040301452634 0.56223755846549 30.974 11 P 0.65353132496247 0.25959698547366 0.06223755846549 30.974 12 P 0.34646867503753 0.75959698547367 0.43776244153451 30.974 *13 P 0.15346869989577 0.23693011965638 0.09094036456663 30.974 14 P 0.84653130010423 0.73693011965638 0.40905963543337 30.974 15 P 0.84653130010423 0.76306988034362 0.90905963543337 30.974 16 P 0.15346869989577 0.26306988034362 0.59094036456663 30.974 *17 O 0.21571401448995 0.75276536977539 0.84347778550725 15.999 18 O 0.78428598551005 0.25276536977539 0.65652221449275 15.999 19 O 0.78428598551005 0.24723463022461 0.15652221449275 15.999 20 O 0.21571401448995 0.74723463022461 0.34347778550725 15.999 *21 O 0.91931833210517 0.76025015648587 0.54136937022038 15.999 22 O 0.08068166789483 0.26025015648587 0.95863062977962 15.999 23 O 0.08068166789483 0.23974984351413 0.45863062977962 15.999 24 O 0.91931833210517 0.73974984351413 0.04136937022038 15.999 *25 O 0.00727698912164 0.47096748307535 0.74192859107884 15.999 26 O 0.99272301087836 0.97096748307535 0.75807140892116 15.999 27 O 0.99272301087836 0.52903251692465 0.25807140892116 15.999 28 O 0.00727698912164 0.02903251692465 0.24192859107884 15.999 *29 O 0.13450707690388 0.51885219920206 0.62867888236236 15.999 30 O 0.86549292309613 0.01885219920206 0.87132111763764 15.999 31 O 0.86549292309613 0.48114780079794 0.37132111763764 15.999 32 O 0.13450707690388 0.98114780079794 0.12867888236236 15.999 *33 O 0.12127103549185 0.05262165442466 0.64662512354322 15.999 34 O 0.87872896450815 0.55262165442466 0.85337487645678 15.999 35 O 0.87872896450815 0.94737834557534 0.35337487645678 15.999 36 O 0.12127103549185 0.44737834557534 0.14662512354322 15.999 *37 O 0.71599696500302 0.76409837167827 0.37244199648536 15.999 38 O 0.28400303499698 0.26409837167827 0.12755800351464 15.999 39 O 0.28400303499698 0.23590162832173 0.62755800351464 15.999 40 O 0.71599696500302 0.73590162832173 0.87244199648536 15.999 *41 O 0.41951364167509 0.72466370209281 0.37865949943012 15.999 42 O 0.58048635832491 0.22466370209281 0.12134050056988 15.999 43 O 0.58048635832491 0.27533629790719 0.62134050056988 15.999 44 O 0.41951364167509 0.77533629790719 0.87865949943012 15.999 *45 O 0.49744786468955 0.52681484062368 0.23614070055848 15.999 46 O 0.50255213531045 0.02681484062368 0.26385929944152 15.999 47 O 0.50255213531045 0.47318515937632 0.76385929944152 15.999 48 O 0.49744786468955 0.97318515937632 0.73614070055848 15.999 *49 O 0.62872500058618 0.98507896142369 0.50415311740339 15.999 50 O 0.37127499941382 0.48507896142369 0.99584688259661 15.999 51 O 0.37127499941382 0.01492103857631 0.49584688259661 15.999 52 O 0.62872500058618 0.51492103857631 0.00415311740339 15.999 *53 O 0.62740005860921 0.45122708584786 0.47602552895201 15.999 54 O 0.37259994139079 0.95122708584786 0.02397447104799 15.999 55 O 0.37259994139079 0.54877291415214 0.52397447104799 15.999 56 O 0.62740005860921 0.04877291415214 0.97602552895201 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 13.215247070070287 0.000000000000000 0.000000000000000 b 0.000000000000000 5.366941000000000 0.000000000000000 c -6.803673715291733 0.000000000000000 11.591781730666657 Atomic positions (fractional): *1 Nb 0.06314839713015 0.75527828714061 0.69755825873680 92.906 > 1 2 Nb 0.93685160286985 0.25527828714061 0.80244174126320 92.906 > 2 3 Nb 0.93685160286985 0.24472171285939 0.30244174126320 92.906 > 3 4 Nb 0.06314839713015 0.74472171285939 0.19755825873680 92.906 > 4 *5 Nb 0.56316144922289 0.74700487485131 0.36567206289190 92.906 > 5 6 Nb 0.43683855077711 0.24700487485131 0.13432793710810 92.906 > 6 7 Nb 0.43683855077711 0.25299512514869 0.63432793710810 92.906 > 7 8 Nb 0.56316144922289 0.75299512514869 0.86567206289190 92.906 > 8 *9 P 0.34646867503753 0.74040301452633 0.93776244153451 30.974 > 9 10 P 0.65353132496247 0.24040301452634 0.56223755846549 30.974 > 10 11 P 0.65353132496247 0.25959698547366 0.06223755846549 30.974 > 11 12 P 0.34646867503753 0.75959698547367 0.43776244153451 30.974 > 12 *13 P 0.15346869989577 0.23693011965638 0.09094036456663 30.974 > 13 14 P 0.84653130010423 0.73693011965638 0.40905963543337 30.974 > 14 15 P 0.84653130010423 0.76306988034362 0.90905963543337 30.974 > 15 16 P 0.15346869989577 0.26306988034362 0.59094036456663 30.974 > 16 *17 O 0.21571401448995 0.75276536977539 0.84347778550725 15.999 > 17 18 O 0.78428598551005 0.25276536977539 0.65652221449275 15.999 > 18 19 O 0.78428598551005 0.24723463022461 0.15652221449275 15.999 > 19 20 O 0.21571401448995 0.74723463022461 0.34347778550725 15.999 > 20 *21 O 0.91931833210517 0.76025015648587 0.54136937022038 15.999 > 21 22 O 0.08068166789483 0.26025015648587 0.95863062977962 15.999 > 22 23 O 0.08068166789483 0.23974984351413 0.45863062977962 15.999 > 23 24 O 0.91931833210517 0.73974984351413 0.04136937022038 15.999 > 24 *25 O 0.00727698912164 0.47096748307535 0.74192859107884 15.999 > 25 26 O 0.99272301087836 0.97096748307535 0.75807140892116 15.999 > 26 27 O 0.99272301087836 0.52903251692465 0.25807140892116 15.999 > 27 28 O 0.00727698912164 0.02903251692465 0.24192859107884 15.999 > 28 *29 O 0.13450707690388 0.51885219920206 0.62867888236236 15.999 > 29 30 O 0.86549292309613 0.01885219920206 0.87132111763764 15.999 > 30 31 O 0.86549292309613 0.48114780079794 0.37132111763764 15.999 > 31 32 O 0.13450707690388 0.98114780079794 0.12867888236236 15.999 > 32 *33 O 0.12127103549185 0.05262165442466 0.64662512354322 15.999 > 33 34 O 0.87872896450815 0.55262165442466 0.85337487645678 15.999 > 34 35 O 0.87872896450815 0.94737834557534 0.35337487645678 15.999 > 35 36 O 0.12127103549185 0.44737834557534 0.14662512354322 15.999 > 36 *37 O 0.71599696500302 0.76409837167827 0.37244199648536 15.999 > 37 38 O 0.28400303499698 0.26409837167827 0.12755800351464 15.999 > 38 39 O 0.28400303499698 0.23590162832173 0.62755800351464 15.999 > 39 40 O 0.71599696500302 0.73590162832173 0.87244199648536 15.999 > 40 *41 O 0.41951364167509 0.72466370209281 0.37865949943012 15.999 > 41 42 O 0.58048635832491 0.22466370209281 0.12134050056988 15.999 > 42 43 O 0.58048635832491 0.27533629790719 0.62134050056988 15.999 > 43 44 O 0.41951364167509 0.77533629790719 0.87865949943012 15.999 > 44 *45 O 0.49744786468955 0.52681484062368 0.23614070055848 15.999 > 45 46 O 0.50255213531045 0.02681484062368 0.26385929944152 15.999 > 46 47 O 0.50255213531045 0.47318515937632 0.76385929944152 15.999 > 47 48 O 0.49744786468955 0.97318515937632 0.73614070055848 15.999 > 48 *49 O 0.62872500058618 0.98507896142369 0.50415311740339 15.999 > 49 50 O 0.37127499941382 0.48507896142369 0.99584688259661 15.999 > 50 51 O 0.37127499941382 0.01492103857631 0.49584688259661 15.999 > 51 52 O 0.62872500058618 0.51492103857631 0.00415311740339 15.999 > 52 *53 O 0.62740005860921 0.45122708584786 0.47602552895201 15.999 > 53 54 O 0.37259994139079 0.95122708584786 0.02397447104799 15.999 > 54 55 O 0.37259994139079 0.54877291415214 0.52397447104799 15.999 > 55 56 O 0.62740005860921 0.04877291415214 0.97602552895201 15.999 > 56 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.215247070070287 0.000000000000000 0.000000000000000 b 0.000000000000000 10.733881999999999 0.000000000000000 c -6.803673715291733 0.000000000000000 11.591781730666657 Atomic positions (fractional): *1 Nb 0.06314839713015 0.37763914357030 0.69755825873680 92.906 > 1 2 Nb 0.06314839713015 0.87763914357030 0.69755825873680 92.906 > 1 3 Nb 0.93685160286985 0.12763914357030 0.80244174126320 92.906 > 2 4 Nb 0.93685160286985 0.62763914357030 0.80244174126320 92.906 > 2 5 Nb 0.93685160286985 0.12236085642970 0.30244174126320 92.906 > 3 6 Nb 0.93685160286985 0.62236085642970 0.30244174126320 92.906 > 3 7 Nb 0.06314839713015 0.37236085642970 0.19755825873680 92.906 > 4 8 Nb 0.06314839713015 0.87236085642970 0.19755825873680 92.906 > 4 *9 Nb 0.56316144922289 0.37350243742566 0.36567206289190 92.906 > 5 10 Nb 0.56316144922289 0.87350243742566 0.36567206289190 92.906 > 5 11 Nb 0.43683855077711 0.12350243742566 0.13432793710810 92.906 > 6 12 Nb 0.43683855077711 0.62350243742566 0.13432793710810 92.906 > 6 13 Nb 0.43683855077711 0.12649756257434 0.63432793710810 92.906 > 7 14 Nb 0.43683855077711 0.62649756257434 0.63432793710810 92.906 > 7 15 Nb 0.56316144922289 0.37649756257434 0.86567206289190 92.906 > 8 16 Nb 0.56316144922289 0.87649756257434 0.86567206289190 92.906 > 8 *17 P 0.34646867503753 0.37020150726317 0.93776244153451 30.974 > 9 18 P 0.34646867503753 0.87020150726317 0.93776244153451 30.974 > 9 19 P 0.65353132496247 0.12020150726317 0.56223755846549 30.974 > 10 20 P 0.65353132496247 0.62020150726317 0.56223755846549 30.974 > 10 21 P 0.65353132496247 0.12979849273683 0.06223755846549 30.974 > 11 22 P 0.65353132496247 0.62979849273683 0.06223755846549 30.974 > 11 23 P 0.34646867503753 0.37979849273683 0.43776244153451 30.974 > 12 24 P 0.34646867503753 0.87979849273683 0.43776244153451 30.974 > 12 *25 P 0.15346869989577 0.11846505982819 0.09094036456663 30.974 > 13 26 P 0.15346869989577 0.61846505982819 0.09094036456663 30.974 > 13 27 P 0.84653130010423 0.36846505982819 0.40905963543337 30.974 > 14 28 P 0.84653130010423 0.86846505982819 0.40905963543337 30.974 > 14 29 P 0.84653130010423 0.38153494017181 0.90905963543337 30.974 > 15 30 P 0.84653130010423 0.88153494017181 0.90905963543337 30.974 > 15 31 P 0.15346869989577 0.13153494017181 0.59094036456663 30.974 > 16 32 P 0.15346869989577 0.63153494017181 0.59094036456663 30.974 > 16 *33 O 0.21571401448995 0.37638268488769 0.84347778550725 15.999 > 17 34 O 0.21571401448995 0.87638268488769 0.84347778550725 15.999 > 17 35 O 0.78428598551005 0.12638268488769 0.65652221449275 15.999 > 18 36 O 0.78428598551005 0.62638268488769 0.65652221449275 15.999 > 18 37 O 0.78428598551005 0.12361731511231 0.15652221449275 15.999 > 19 38 O 0.78428598551005 0.62361731511231 0.15652221449275 15.999 > 19 39 O 0.21571401448995 0.37361731511231 0.34347778550725 15.999 > 20 40 O 0.21571401448995 0.87361731511231 0.34347778550725 15.999 > 20 *41 O 0.91931833210517 0.38012507824294 0.54136937022038 15.999 > 21 42 O 0.91931833210517 0.88012507824294 0.54136937022038 15.999 > 21 43 O 0.08068166789483 0.13012507824294 0.95863062977962 15.999 > 22 44 O 0.08068166789483 0.63012507824294 0.95863062977962 15.999 > 22 45 O 0.08068166789483 0.11987492175707 0.45863062977962 15.999 > 23 46 O 0.08068166789483 0.61987492175707 0.45863062977962 15.999 > 23 47 O 0.91931833210517 0.36987492175706 0.04136937022038 15.999 > 24 48 O 0.91931833210517 0.86987492175706 0.04136937022038 15.999 > 24 *49 O 0.00727698912164 0.23548374153768 0.74192859107884 15.999 > 25 50 O 0.00727698912164 0.73548374153768 0.74192859107884 15.999 > 25 51 O 0.99272301087836 0.48548374153768 0.75807140892116 15.999 > 26 52 O 0.99272301087836 0.98548374153768 0.75807140892116 15.999 > 26 53 O 0.99272301087836 0.26451625846232 0.25807140892116 15.999 > 27 54 O 0.99272301087836 0.76451625846232 0.25807140892116 15.999 > 27 55 O 0.00727698912164 0.01451625846232 0.24192859107884 15.999 > 28 56 O 0.00727698912164 0.51451625846232 0.24192859107884 15.999 > 28 *57 O 0.13450707690388 0.25942609960103 0.62867888236236 15.999 > 29 58 O 0.13450707690388 0.75942609960103 0.62867888236236 15.999 > 29 59 O 0.86549292309613 0.00942609960103 0.87132111763764 15.999 > 30 60 O 0.86549292309613 0.50942609960103 0.87132111763764 15.999 > 30 61 O 0.86549292309613 0.24057390039897 0.37132111763764 15.999 > 31 62 O 0.86549292309613 0.74057390039897 0.37132111763764 15.999 > 31 63 O 0.13450707690388 0.49057390039897 0.12867888236236 15.999 > 32 64 O 0.13450707690388 0.99057390039897 0.12867888236236 15.999 > 32 *65 O 0.12127103549185 0.02631082721233 0.64662512354322 15.999 > 33 66 O 0.12127103549185 0.52631082721233 0.64662512354322 15.999 > 33 67 O 0.87872896450815 0.27631082721233 0.85337487645678 15.999 > 34 68 O 0.87872896450815 0.77631082721233 0.85337487645678 15.999 > 34 69 O 0.87872896450815 0.47368917278767 0.35337487645678 15.999 > 35 70 O 0.87872896450815 0.97368917278767 0.35337487645678 15.999 > 35 71 O 0.12127103549185 0.22368917278767 0.14662512354322 15.999 > 36 72 O 0.12127103549185 0.72368917278767 0.14662512354322 15.999 > 36 *73 O 0.71599696500302 0.38204918583913 0.37244199648536 15.999 > 37 74 O 0.71599696500302 0.88204918583914 0.37244199648536 15.999 > 37 75 O 0.28400303499698 0.13204918583913 0.12755800351464 15.999 > 38 76 O 0.28400303499698 0.63204918583914 0.12755800351464 15.999 > 38 77 O 0.28400303499698 0.11795081416087 0.62755800351464 15.999 > 39 78 O 0.28400303499698 0.61795081416086 0.62755800351464 15.999 > 39 79 O 0.71599696500302 0.36795081416087 0.87244199648536 15.999 > 40 80 O 0.71599696500302 0.86795081416086 0.87244199648536 15.999 > 40 *81 O 0.41951364167509 0.36233185104640 0.37865949943012 15.999 > 41 82 O 0.41951364167509 0.86233185104640 0.37865949943012 15.999 > 41 83 O 0.58048635832491 0.11233185104640 0.12134050056988 15.999 > 42 84 O 0.58048635832491 0.61233185104640 0.12134050056988 15.999 > 42 85 O 0.58048635832491 0.13766814895360 0.62134050056988 15.999 > 43 86 O 0.58048635832491 0.63766814895360 0.62134050056988 15.999 > 43 87 O 0.41951364167509 0.38766814895360 0.87865949943012 15.999 > 44 88 O 0.41951364167509 0.88766814895360 0.87865949943012 15.999 > 44 *89 O 0.49744786468955 0.26340742031184 0.23614070055848 15.999 > 45 90 O 0.49744786468955 0.76340742031184 0.23614070055848 15.999 > 45 91 O 0.50255213531045 0.01340742031184 0.26385929944152 15.999 > 46 92 O 0.50255213531045 0.51340742031184 0.26385929944152 15.999 > 46 93 O 0.50255213531045 0.23659257968816 0.76385929944152 15.999 > 47 94 O 0.50255213531045 0.73659257968816 0.76385929944152 15.999 > 47 95 O 0.49744786468955 0.48659257968816 0.73614070055848 15.999 > 48 96 O 0.49744786468955 0.98659257968816 0.73614070055848 15.999 > 48 *97 O 0.62872500058618 0.49253948071184 0.50415311740339 15.999 > 49 98 O 0.62872500058618 0.99253948071184 0.50415311740339 15.999 > 49 99 O 0.37127499941382 0.24253948071184 0.99584688259661 15.999 > 50 100 O 0.37127499941382 0.74253948071184 0.99584688259661 15.999 > 50 101 O 0.37127499941382 0.00746051928816 0.49584688259661 15.999 > 51 102 O 0.37127499941382 0.50746051928816 0.49584688259661 15.999 > 51 103 O 0.62872500058618 0.25746051928816 0.00415311740339 15.999 > 52 104 O 0.62872500058618 0.75746051928816 0.00415311740339 15.999 > 52 *105 O 0.62740005860921 0.22561354292393 0.47602552895201 15.999 > 53 106 O 0.62740005860921 0.72561354292393 0.47602552895201 15.999 > 53 107 O 0.37259994139079 0.47561354292393 0.02397447104799 15.999 > 54 108 O 0.37259994139079 0.97561354292393 0.02397447104799 15.999 > 54 109 O 0.37259994139079 0.27438645707607 0.52397447104799 15.999 > 55 110 O 0.37259994139079 0.77438645707607 0.52397447104799 15.999 > 55 111 O 0.62740005860921 0.02438645707607 0.97602552895201 15.999 > 56 112 O 0.62740005860921 0.52438645707607 0.97602552895201 15.999 > 56 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2077430 0.0000000 -0.0592682 0.0000000 4.8853982 0.0000000 -0.0592637 0.0000000 4.2864760 -------------------------- Born effective charges -------------------------- 1 Nb 7.6116629 0.7097273 -0.4786057 -0.7436112 9.5730422 0.4771862 -0.4273589 -0.4756021 7.5258755 2 Nb 7.6116629 -0.7097273 -0.4786057 0.7436112 9.5730422 -0.4771862 -0.4273589 0.4756021 7.5258755 3 Nb 7.6116629 0.7097273 -0.4786057 -0.7436112 9.5730422 0.4771862 -0.4273589 -0.4756021 7.5258755 4 Nb 7.6116629 -0.7097273 -0.4786057 0.7436112 9.5730422 -0.4771862 -0.4273589 0.4756021 7.5258755 5 Nb 7.1314438 0.3058776 -0.1721830 -0.3961207 9.5824658 0.8267929 -0.2041794 -0.7532009 8.0056710 6 Nb 7.1314438 -0.3058776 -0.1721830 0.3961207 9.5824658 -0.8267929 -0.2041794 0.7532009 8.0056710 7 Nb 7.1314438 0.3058776 -0.1721830 -0.3961207 9.5824658 0.8267929 -0.2041794 -0.7532009 8.0056710 8 Nb 7.1314438 -0.3058776 -0.1721830 0.3961207 9.5824658 -0.8267929 -0.2041794 0.7532009 8.0056710 9 P 5.6483036 0.2306313 0.2513053 -0.2394262 4.8350639 0.4175360 0.2713941 -0.4072408 5.8945753 10 P 5.6483036 -0.2306313 0.2513053 0.2394262 4.8350639 -0.4175360 0.2713941 0.4072408 5.8945753 11 P 5.6483036 0.2306313 0.2513053 -0.2394262 4.8350639 0.4175360 0.2713941 -0.4072408 5.8945753 12 P 5.6483036 -0.2306313 0.2513053 0.2394262 4.8350639 -0.4175360 0.2713941 0.4072408 5.8945753 13 P 6.0379726 0.3918399 0.0531639 -0.4234938 4.8339840 0.2502996 0.0118857 -0.2584838 5.5120028 14 P 6.0379726 -0.3918399 0.0531639 0.4234938 4.8339840 -0.2502996 0.0118857 0.2584838 5.5120028 15 P 6.0379726 0.3918399 0.0531639 -0.4234938 4.8339840 0.2502996 0.0118857 -0.2584838 5.5120028 16 P 6.0379726 -0.3918399 0.0531639 0.4234938 4.8339840 -0.2502996 0.0118857 0.2584838 5.5120028 17 O -3.0058261 -0.0011014 -2.3606608 0.0897746 -1.1902963 -0.0101199 -2.0658451 0.1304531 -3.9160963 18 O -3.0058261 0.0011014 -2.3606608 -0.0897746 -1.1902963 0.0101199 -2.0658451 -0.1304531 -3.9160963 19 O -3.0058261 -0.0011014 -2.3606608 0.0897746 -1.1902963 -0.0101199 -2.0658451 0.1304531 -3.9160963 20 O -3.0058261 0.0011014 -2.3606608 -0.0897746 -1.1902963 0.0101199 -2.0658451 -0.1304531 -3.9160963 21 O -1.4331824 0.0075897 -0.5099416 -0.0308374 -1.1610305 -0.0292878 -1.0186064 -0.1006964 -5.0286981 22 O -1.4331824 -0.0075897 -0.5099416 0.0308374 -1.1610305 0.0292878 -1.0186064 0.1006964 -5.0286981 23 O -1.4331824 0.0075897 -0.5099416 -0.0308374 -1.1610305 -0.0292878 -1.0186064 -0.1006964 -5.0286981 24 O -1.4331824 -0.0075897 -0.5099416 0.0308374 -1.1610305 0.0292878 -1.0186064 0.1006964 -5.0286981 25 O -3.2633254 -2.4558724 1.2195888 -3.5558862 -5.2361541 1.7979113 1.2362055 1.2699062 -1.5470386 26 O -3.2633254 2.4558724 1.2195888 3.5558862 -5.2361541 -1.7979113 1.2362055 -1.2699062 -1.5470386 27 O -3.2633254 -2.4558724 1.2195888 -3.5558862 -5.2361541 1.7979113 1.2362055 1.2699062 -1.5470386 28 O -3.2633254 2.4558724 1.2195888 3.5558862 -5.2361541 -1.7979113 1.2362055 -1.2699062 -1.5470386 29 O -2.4939134 1.5779496 0.7834171 1.4345752 -3.3074228 -0.9776351 0.7970249 -1.0798944 -1.7620428 30 O -2.4939134 -1.5779496 0.7834171 -1.4345752 -3.3074228 0.9776351 0.7970249 1.0798944 -1.7620428 31 O -2.4939134 1.5779496 0.7834171 1.4345752 -3.3074228 -0.9776351 0.7970249 -1.0798944 -1.7620428 32 O -2.4939134 -1.5779496 0.7834171 -1.4345752 -3.3074228 0.9776351 0.7970249 1.0798944 -1.7620428 33 O -2.4713882 -1.7040590 0.8060195 -1.6005094 -3.5176913 1.0583968 0.8420778 1.1640856 -1.7775615 34 O -2.4713882 1.7040590 0.8060195 1.6005094 -3.5176913 -1.0583968 0.8420778 -1.1640856 -1.7775615 35 O -2.4713882 -1.7040590 0.8060195 -1.6005094 -3.5176913 1.0583968 0.8420778 1.1640856 -1.7775615 36 O -2.4713882 1.7040590 0.8060195 1.6005094 -3.5176913 -1.0583968 0.8420778 -1.1640856 -1.7775615 37 O -5.5488009 0.0477119 -0.6454710 -0.0573061 -1.1845584 -0.0055820 -0.9360653 0.0177656 -1.3483498 38 O -5.5488009 -0.0477119 -0.6454710 0.0573061 -1.1845584 0.0055820 -0.9360653 -0.0177656 -1.3483498 39 O -5.5488009 0.0477119 -0.6454710 -0.0573061 -1.1845584 -0.0055820 -0.9360653 0.0177656 -1.3483498 40 O -5.5488009 -0.0477119 -0.6454710 0.0573061 -1.1845584 0.0055820 -0.9360653 -0.0177656 -1.3483498 41 O -4.8008500 0.0362591 0.8671220 -0.0322269 -1.1621891 0.0194027 1.3620128 -0.0326340 -1.6311335 42 O -4.8008500 -0.0362591 0.8671220 0.0322269 -1.1621891 -0.0194027 1.3620128 0.0326340 -1.6311335 43 O -4.8008500 0.0362591 0.8671220 -0.0322269 -1.1621891 0.0194027 1.3620128 -0.0326340 -1.6311335 44 O -4.8008500 -0.0362591 0.8671220 0.0322269 -1.1621891 -0.0194027 1.3620128 0.0326340 -1.6311335 45 O -0.9067949 -0.0903502 -0.0763508 -0.1568901 -5.2610907 -4.0140586 -0.0838498 -2.7687747 -3.9218882 46 O -0.9067949 0.0903502 -0.0763508 0.1568901 -5.2610907 4.0140586 -0.0838498 2.7687747 -3.9218882 47 O -0.9067949 -0.0903502 -0.0763508 -0.1568901 -5.2610907 -4.0140586 -0.0838498 -2.7687747 -3.9218882 48 O -0.9067949 0.0903502 -0.0763508 0.1568901 -5.2610907 4.0140586 -0.0838498 2.7687747 -3.9218882 49 O -1.2541172 0.2043885 0.1403824 0.1462114 -3.3325886 -1.7507660 0.1159565 -1.9356192 -3.0175563 50 O -1.2541172 -0.2043885 0.1403824 -0.1462114 -3.3325886 1.7507660 0.1159565 1.9356192 -3.0175563 51 O -1.2541172 0.2043885 0.1403824 0.1462114 -3.3325886 -1.7507660 0.1159565 -1.9356192 -3.0175563 52 O -1.2541172 -0.2043885 0.1403824 -0.1462114 -3.3325886 1.7507660 0.1159565 1.9356192 -3.0175563 53 O -1.2511845 -0.1470371 0.1222140 -0.1469680 -3.4715342 1.8771071 0.0993476 2.0245538 -2.9877595 54 O -1.2511845 0.1470371 0.1222140 0.1469680 -3.4715342 -1.8771071 0.0993476 -2.0245538 -2.9877595 55 O -1.2511845 -0.1470371 0.1222140 -0.1469680 -3.4715342 1.8771071 0.0993476 2.0245538 -2.9877595 56 O -1.2511845 0.1470371 0.1222140 0.1469680 -3.4715342 -1.8771071 0.0993476 -2.0245538 -2.9877595 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 28392/28392 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 7182 Number of blocks in projector: 7182 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: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (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: 1000 / 1568 (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: 1568 / 1568 (2) Block: 250 / 568 (2) 232 eigenvectors found. (2) Block: 500 / 568 (2) 238 eigenvectors found. (2) Block: 568 / 568 (2) 40 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 540 eigenvectors found. (1) Complementary block size: 80 (1) Compute compressed projector. (1) Use standard solver. (1) 52 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (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: 1000 / 1568 (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: 1568 / 1568 (2) Block: 250 / 568 (2) 232 eigenvectors found. (2) Block: 500 / 568 (2) 238 eigenvectors found. (2) Block: 568 / 568 (2) 40 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 540 eigenvectors found. (1) Complementary block size: 80 (1) Compute compressed projector. (1) Use standard solver. (1) 52 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 233 eigenvectors found. (2) Block: 500 / 568 (2) 237 eigenvectors found. (2) Block: 568 / 568 (2) 63 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 551 eigenvectors found. (1) Complementary block size: 67 (1) Compute compressed projector. (1) Use standard solver. (1) 40 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 826 Use submatrix version of eigh solver. (1) Block: 500 / 826 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 826 / 826 (1) 312 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 826 Use submatrix version of eigh solver. (1) Block: 500 / 826 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 826 / 826 (1) 312 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 826 Use submatrix version of eigh solver. (1) Block: 500 / 826 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 826 / 826 (1) 312 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. Tree of FC basis block matrices: - (7182, 7057), data: False |-- (826, 812), data: False |-- (826, 14), data: (826, 28) @ (28, 14) |-- (326, 312), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (826, 812), data: False |-- (826, 14), data: (826, 28) @ (28, 14) |-- (326, 312), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (826, 812), data: False |-- (826, 14), data: (826, 28) @ (28, 14) |-- (326, 312), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (1568, 1541), data: False |-- (1568, 40), data: (1568, 67) @ (67, 40) |-- (568, 551), data: False |-- (568, 18), data: (568, 35) @ (35, 18) |-- (68, 63), data: True |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 473), data: False |-- (500, 25), data: (500, 52) @ (52, 25) |-- (250, 225), data: True |-- (250, 223), data: True |-- (1568, 1540), data: False |-- (1568, 52), data: (1568, 80) @ (80, 52) |-- (568, 540), data: False |-- (568, 30), data: (568, 58) @ (58, 30) |-- (68, 40), data: True |-- (250, 238), 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, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True |-- (1568, 1540), data: False |-- (1568, 52), data: (1568, 80) @ (80, 52) |-- (568, 540), data: False |-- (568, 30), data: (568, 58) @ (58, 30) |-- (68, 40), data: True |-- (250, 238), 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, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1680 - Time: 2.164 Solver_block: 200 / 1680 - Time: 2.028 Solver_block: 300 / 1680 - Time: 2.028 Solver_block: 400 / 1680 - Time: 2.027 Solver_block: 500 / 1680 - Time: 2.030 Solver_block: 600 / 1680 - Time: 2.024 Solver_block: 700 / 1680 - Time: 2.029 Solver_block: 800 / 1680 - Time: 2.026 Solver_block: 900 / 1680 - Time: 2.029 Solver_block: 1000 / 1680 - Time: 2.029 Solver_block: 1100 / 1680 - Time: 2.028 Solver_block: 1200 / 1680 - Time: 2.027 Solver_block: 1300 / 1680 - Time: 2.028 Solver_block: 1400 / 1680 - Time: 2.028 Solver_block: 1500 / 1680 - Time: 2.022 Solver_block: 1600 / 1680 - Time: 2.029 Solver_block: 1680 / 1680 - Time: 1.707 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 35.350 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 336/336 Permutation basis: 28392/28392 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 7182 Number of blocks in projector: 7182 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: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (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: 1000 / 1568 (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: 1568 / 1568 (2) Block: 250 / 568 (2) 232 eigenvectors found. (2) Block: 500 / 568 (2) 238 eigenvectors found. (2) Block: 568 / 568 (2) 40 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 540 eigenvectors found. (1) Complementary block size: 80 (1) Compute compressed projector. (1) Use standard solver. (1) 52 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (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: 1000 / 1568 (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: 1568 / 1568 (2) Block: 250 / 568 (2) 232 eigenvectors found. (2) Block: 500 / 568 (2) 238 eigenvectors found. (2) Block: 568 / 568 (2) 40 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 540 eigenvectors found. (1) Complementary block size: 80 (1) Compute compressed projector. (1) Use standard solver. (1) 52 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 233 eigenvectors found. (2) Block: 500 / 568 (2) 237 eigenvectors found. (2) Block: 568 / 568 (2) 63 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 551 eigenvectors found. (1) Complementary block size: 67 (1) Compute compressed projector. (1) Use standard solver. (1) 40 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 826 Use submatrix version of eigh solver. (1) Block: 500 / 826 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 826 / 826 (1) 312 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 826 Use submatrix version of eigh solver. (1) Block: 500 / 826 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 826 / 826 (1) 312 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 826 Use submatrix version of eigh solver. (1) Block: 500 / 826 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 826 / 826 (1) 312 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. Tree of FC basis block matrices: - (7182, 7057), data: False |-- (826, 812), data: False |-- (826, 14), data: (826, 28) @ (28, 14) |-- (326, 312), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (826, 812), data: False |-- (826, 14), data: (826, 28) @ (28, 14) |-- (326, 312), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (826, 812), data: False |-- (826, 14), data: (826, 28) @ (28, 14) |-- (326, 312), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (1568, 1541), data: False |-- (1568, 40), data: (1568, 67) @ (67, 40) |-- (568, 551), data: False |-- (568, 18), data: (568, 35) @ (35, 18) |-- (68, 63), data: True |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 473), data: False |-- (500, 25), data: (500, 52) @ (52, 25) |-- (250, 225), data: True |-- (250, 223), data: True |-- (1568, 1540), data: False |-- (1568, 52), data: (1568, 80) @ (80, 52) |-- (568, 540), data: False |-- (568, 30), data: (568, 58) @ (58, 30) |-- (68, 40), data: True |-- (250, 238), 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, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True |-- (1568, 1540), data: False |-- (1568, 52), data: (1568, 80) @ (80, 52) |-- (568, 540), data: False |-- (568, 30), data: (568, 58) @ (58, 30) |-- (68, 40), data: True |-- (250, 238), 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, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), 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 10:35:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:35:15]------------------------- Compiled with OpenMP support (max 32 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 13.215247070070287 0.000000000000000 0.000000000000000 b 0.000000000000000 5.366941000000000 0.000000000000000 c -6.803673715291733 0.000000000000000 11.591781730666657 Atomic positions (fractional): 1 Nb 0.06314839713015 0.75527828714061 0.69755825873680 92.906 2 Nb 0.93685160286985 0.25527828714061 0.80244174126320 92.906 3 Nb 0.93685160286985 0.24472171285939 0.30244174126320 92.906 4 Nb 0.06314839713015 0.74472171285939 0.19755825873680 92.906 5 Nb 0.56316144922289 0.74700487485131 0.36567206289190 92.906 6 Nb 0.43683855077711 0.24700487485131 0.13432793710810 92.906 7 Nb 0.43683855077711 0.25299512514869 0.63432793710810 92.906 8 Nb 0.56316144922289 0.75299512514869 0.86567206289190 92.906 9 P 0.34646867503753 0.74040301452633 0.93776244153451 30.974 10 P 0.65353132496247 0.24040301452634 0.56223755846549 30.974 11 P 0.65353132496247 0.25959698547366 0.06223755846549 30.974 12 P 0.34646867503753 0.75959698547367 0.43776244153451 30.974 13 P 0.15346869989577 0.23693011965638 0.09094036456663 30.974 14 P 0.84653130010423 0.73693011965638 0.40905963543337 30.974 15 P 0.84653130010423 0.76306988034362 0.90905963543337 30.974 16 P 0.15346869989577 0.26306988034362 0.59094036456663 30.974 17 O 0.21571401448995 0.75276536977539 0.84347778550725 15.999 18 O 0.78428598551005 0.25276536977539 0.65652221449275 15.999 19 O 0.78428598551005 0.24723463022461 0.15652221449275 15.999 20 O 0.21571401448995 0.74723463022461 0.34347778550725 15.999 21 O 0.91931833210517 0.76025015648587 0.54136937022038 15.999 22 O 0.08068166789483 0.26025015648587 0.95863062977962 15.999 23 O 0.08068166789483 0.23974984351413 0.45863062977962 15.999 24 O 0.91931833210517 0.73974984351413 0.04136937022038 15.999 25 O 0.00727698912164 0.47096748307535 0.74192859107884 15.999 26 O 0.99272301087836 0.97096748307535 0.75807140892116 15.999 27 O 0.99272301087836 0.52903251692465 0.25807140892116 15.999 28 O 0.00727698912164 0.02903251692465 0.24192859107884 15.999 29 O 0.13450707690388 0.51885219920206 0.62867888236236 15.999 30 O 0.86549292309613 0.01885219920206 0.87132111763764 15.999 31 O 0.86549292309613 0.48114780079794 0.37132111763764 15.999 32 O 0.13450707690388 0.98114780079794 0.12867888236236 15.999 33 O 0.12127103549185 0.05262165442466 0.64662512354322 15.999 34 O 0.87872896450815 0.55262165442466 0.85337487645678 15.999 35 O 0.87872896450815 0.94737834557534 0.35337487645678 15.999 36 O 0.12127103549185 0.44737834557534 0.14662512354322 15.999 37 O 0.71599696500302 0.76409837167827 0.37244199648536 15.999 38 O 0.28400303499698 0.26409837167827 0.12755800351464 15.999 39 O 0.28400303499698 0.23590162832173 0.62755800351464 15.999 40 O 0.71599696500302 0.73590162832173 0.87244199648536 15.999 41 O 0.41951364167509 0.72466370209281 0.37865949943012 15.999 42 O 0.58048635832491 0.22466370209281 0.12134050056988 15.999 43 O 0.58048635832491 0.27533629790719 0.62134050056988 15.999 44 O 0.41951364167509 0.77533629790719 0.87865949943012 15.999 45 O 0.49744786468955 0.52681484062368 0.23614070055848 15.999 46 O 0.50255213531045 0.02681484062368 0.26385929944152 15.999 47 O 0.50255213531045 0.47318515937632 0.76385929944152 15.999 48 O 0.49744786468955 0.97318515937632 0.73614070055848 15.999 49 O 0.62872500058618 0.98507896142369 0.50415311740339 15.999 50 O 0.37127499941382 0.48507896142369 0.99584688259661 15.999 51 O 0.37127499941382 0.01492103857631 0.49584688259661 15.999 52 O 0.62872500058618 0.51492103857631 0.00415311740339 15.999 53 O 0.62740005860921 0.45122708584786 0.47602552895201 15.999 54 O 0.37259994139079 0.95122708584786 0.02397447104799 15.999 55 O 0.37259994139079 0.54877291415214 0.52397447104799 15.999 56 O 0.62740005860921 0.04877291415214 0.97602552895201 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.215247070070287 0.000000000000000 0.000000000000000 b 0.000000000000000 10.733881999999999 0.000000000000000 c -6.803673715291733 0.000000000000000 11.591781730666657 Atomic positions (fractional): 1 Nb 0.06314839713015 0.37763914357030 0.69755825873680 92.906 > 1 2 Nb 0.06314839713015 0.87763914357030 0.69755825873680 92.906 > 1 3 Nb 0.93685160286985 0.12763914357030 0.80244174126320 92.906 > 3 4 Nb 0.93685160286985 0.62763914357030 0.80244174126320 92.906 > 3 5 Nb 0.93685160286985 0.12236085642970 0.30244174126320 92.906 > 5 6 Nb 0.93685160286985 0.62236085642970 0.30244174126320 92.906 > 5 7 Nb 0.06314839713015 0.37236085642970 0.19755825873680 92.906 > 7 8 Nb 0.06314839713015 0.87236085642970 0.19755825873680 92.906 > 7 9 Nb 0.56316144922289 0.37350243742566 0.36567206289190 92.906 > 9 10 Nb 0.56316144922289 0.87350243742566 0.36567206289190 92.906 > 9 11 Nb 0.43683855077711 0.12350243742566 0.13432793710810 92.906 > 11 12 Nb 0.43683855077711 0.62350243742566 0.13432793710810 92.906 > 11 13 Nb 0.43683855077711 0.12649756257434 0.63432793710810 92.906 > 13 14 Nb 0.43683855077711 0.62649756257434 0.63432793710810 92.906 > 13 15 Nb 0.56316144922289 0.37649756257434 0.86567206289190 92.906 > 15 16 Nb 0.56316144922289 0.87649756257434 0.86567206289190 92.906 > 15 17 P 0.34646867503753 0.37020150726317 0.93776244153451 30.974 > 17 18 P 0.34646867503753 0.87020150726317 0.93776244153451 30.974 > 17 19 P 0.65353132496247 0.12020150726317 0.56223755846549 30.974 > 19 20 P 0.65353132496247 0.62020150726317 0.56223755846549 30.974 > 19 21 P 0.65353132496247 0.12979849273683 0.06223755846549 30.974 > 21 22 P 0.65353132496247 0.62979849273683 0.06223755846549 30.974 > 21 23 P 0.34646867503753 0.37979849273683 0.43776244153451 30.974 > 23 24 P 0.34646867503753 0.87979849273683 0.43776244153451 30.974 > 23 25 P 0.15346869989577 0.11846505982819 0.09094036456663 30.974 > 25 26 P 0.15346869989577 0.61846505982819 0.09094036456663 30.974 > 25 27 P 0.84653130010423 0.36846505982819 0.40905963543337 30.974 > 27 28 P 0.84653130010423 0.86846505982819 0.40905963543337 30.974 > 27 29 P 0.84653130010423 0.38153494017181 0.90905963543337 30.974 > 29 30 P 0.84653130010423 0.88153494017181 0.90905963543337 30.974 > 29 31 P 0.15346869989577 0.13153494017181 0.59094036456663 30.974 > 31 32 P 0.15346869989577 0.63153494017181 0.59094036456663 30.974 > 31 33 O 0.21571401448995 0.37638268488769 0.84347778550725 15.999 > 33 34 O 0.21571401448995 0.87638268488769 0.84347778550725 15.999 > 33 35 O 0.78428598551005 0.12638268488769 0.65652221449275 15.999 > 35 36 O 0.78428598551005 0.62638268488769 0.65652221449275 15.999 > 35 37 O 0.78428598551005 0.12361731511231 0.15652221449275 15.999 > 37 38 O 0.78428598551005 0.62361731511231 0.15652221449275 15.999 > 37 39 O 0.21571401448995 0.37361731511231 0.34347778550725 15.999 > 39 40 O 0.21571401448995 0.87361731511231 0.34347778550725 15.999 > 39 41 O 0.91931833210517 0.38012507824294 0.54136937022038 15.999 > 41 42 O 0.91931833210517 0.88012507824294 0.54136937022038 15.999 > 41 43 O 0.08068166789483 0.13012507824294 0.95863062977962 15.999 > 43 44 O 0.08068166789483 0.63012507824294 0.95863062977962 15.999 > 43 45 O 0.08068166789483 0.11987492175707 0.45863062977962 15.999 > 45 46 O 0.08068166789483 0.61987492175707 0.45863062977962 15.999 > 45 47 O 0.91931833210517 0.36987492175706 0.04136937022038 15.999 > 47 48 O 0.91931833210517 0.86987492175706 0.04136937022038 15.999 > 47 49 O 0.00727698912164 0.23548374153768 0.74192859107884 15.999 > 49 50 O 0.00727698912164 0.73548374153768 0.74192859107884 15.999 > 49 51 O 0.99272301087836 0.48548374153768 0.75807140892116 15.999 > 51 52 O 0.99272301087836 0.98548374153768 0.75807140892116 15.999 > 51 53 O 0.99272301087836 0.26451625846232 0.25807140892116 15.999 > 53 54 O 0.99272301087836 0.76451625846232 0.25807140892116 15.999 > 53 55 O 0.00727698912164 0.01451625846232 0.24192859107884 15.999 > 55 56 O 0.00727698912164 0.51451625846232 0.24192859107884 15.999 > 55 57 O 0.13450707690388 0.25942609960103 0.62867888236236 15.999 > 57 58 O 0.13450707690388 0.75942609960103 0.62867888236236 15.999 > 57 59 O 0.86549292309613 0.00942609960103 0.87132111763764 15.999 > 59 60 O 0.86549292309613 0.50942609960103 0.87132111763764 15.999 > 59 61 O 0.86549292309613 0.24057390039897 0.37132111763764 15.999 > 61 62 O 0.86549292309613 0.74057390039897 0.37132111763764 15.999 > 61 63 O 0.13450707690388 0.49057390039897 0.12867888236236 15.999 > 63 64 O 0.13450707690388 0.99057390039897 0.12867888236236 15.999 > 63 65 O 0.12127103549185 0.02631082721233 0.64662512354322 15.999 > 65 66 O 0.12127103549185 0.52631082721233 0.64662512354322 15.999 > 65 67 O 0.87872896450815 0.27631082721233 0.85337487645678 15.999 > 67 68 O 0.87872896450815 0.77631082721233 0.85337487645678 15.999 > 67 69 O 0.87872896450815 0.47368917278767 0.35337487645678 15.999 > 69 70 O 0.87872896450815 0.97368917278767 0.35337487645678 15.999 > 69 71 O 0.12127103549185 0.22368917278767 0.14662512354322 15.999 > 71 72 O 0.12127103549185 0.72368917278767 0.14662512354322 15.999 > 71 73 O 0.71599696500302 0.38204918583913 0.37244199648536 15.999 > 73 74 O 0.71599696500302 0.88204918583914 0.37244199648536 15.999 > 73 75 O 0.28400303499698 0.13204918583913 0.12755800351464 15.999 > 75 76 O 0.28400303499698 0.63204918583914 0.12755800351464 15.999 > 75 77 O 0.28400303499698 0.11795081416087 0.62755800351464 15.999 > 77 78 O 0.28400303499698 0.61795081416086 0.62755800351464 15.999 > 77 79 O 0.71599696500302 0.36795081416087 0.87244199648536 15.999 > 79 80 O 0.71599696500302 0.86795081416086 0.87244199648536 15.999 > 79 81 O 0.41951364167509 0.36233185104640 0.37865949943012 15.999 > 81 82 O 0.41951364167509 0.86233185104640 0.37865949943012 15.999 > 81 83 O 0.58048635832491 0.11233185104640 0.12134050056988 15.999 > 83 84 O 0.58048635832491 0.61233185104640 0.12134050056988 15.999 > 83 85 O 0.58048635832491 0.13766814895360 0.62134050056988 15.999 > 85 86 O 0.58048635832491 0.63766814895360 0.62134050056988 15.999 > 85 87 O 0.41951364167509 0.38766814895360 0.87865949943012 15.999 > 87 88 O 0.41951364167509 0.88766814895360 0.87865949943012 15.999 > 87 89 O 0.49744786468955 0.26340742031184 0.23614070055848 15.999 > 89 90 O 0.49744786468955 0.76340742031184 0.23614070055848 15.999 > 89 91 O 0.50255213531045 0.01340742031184 0.26385929944152 15.999 > 91 92 O 0.50255213531045 0.51340742031184 0.26385929944152 15.999 > 91 93 O 0.50255213531045 0.23659257968816 0.76385929944152 15.999 > 93 94 O 0.50255213531045 0.73659257968816 0.76385929944152 15.999 > 93 95 O 0.49744786468955 0.48659257968816 0.73614070055848 15.999 > 95 96 O 0.49744786468955 0.98659257968816 0.73614070055848 15.999 > 95 97 O 0.62872500058618 0.49253948071184 0.50415311740339 15.999 > 97 98 O 0.62872500058618 0.99253948071184 0.50415311740339 15.999 > 97 99 O 0.37127499941382 0.24253948071184 0.99584688259661 15.999 > 99 100 O 0.37127499941382 0.74253948071184 0.99584688259661 15.999 > 99 101 O 0.37127499941382 0.00746051928816 0.49584688259661 15.999 > 101 102 O 0.37127499941382 0.50746051928816 0.49584688259661 15.999 > 101 103 O 0.62872500058618 0.25746051928816 0.00415311740339 15.999 > 103 104 O 0.62872500058618 0.75746051928816 0.00415311740339 15.999 > 103 105 O 0.62740005860921 0.22561354292393 0.47602552895201 15.999 > 105 106 O 0.62740005860921 0.72561354292393 0.47602552895201 15.999 > 105 107 O 0.37259994139079 0.47561354292393 0.02397447104799 15.999 > 107 108 O 0.37259994139079 0.97561354292393 0.02397447104799 15.999 > 107 109 O 0.37259994139079 0.27438645707607 0.52397447104799 15.999 > 109 110 O 0.37259994139079 0.77438645707607 0.52397447104799 15.999 > 109 111 O 0.62740005860921 0.02438645707607 0.97602552895201 15.999 > 111 112 O 0.62740005860921 0.52438645707607 0.97602552895201 15.999 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2077430 0.0000000 -0.0592682 0.0000000 4.8853982 0.0000000 -0.0592637 0.0000000 4.2864760 -------------------------- Born effective charges -------------------------- 1 Nb 7.6116629 0.7097273 -0.4786057 -0.7436112 9.5730422 0.4771862 -0.4273589 -0.4756021 7.5258755 2 Nb 7.6116629 -0.7097273 -0.4786057 0.7436112 9.5730422 -0.4771862 -0.4273589 0.4756021 7.5258755 3 Nb 7.6116629 0.7097273 -0.4786057 -0.7436112 9.5730422 0.4771862 -0.4273589 -0.4756021 7.5258755 4 Nb 7.6116629 -0.7097273 -0.4786057 0.7436112 9.5730422 -0.4771862 -0.4273589 0.4756021 7.5258755 5 Nb 7.1314438 0.3058776 -0.1721830 -0.3961207 9.5824658 0.8267929 -0.2041794 -0.7532009 8.0056710 6 Nb 7.1314438 -0.3058776 -0.1721830 0.3961207 9.5824658 -0.8267929 -0.2041794 0.7532009 8.0056710 7 Nb 7.1314438 0.3058776 -0.1721830 -0.3961207 9.5824658 0.8267929 -0.2041794 -0.7532009 8.0056710 8 Nb 7.1314438 -0.3058776 -0.1721830 0.3961207 9.5824658 -0.8267929 -0.2041794 0.7532009 8.0056710 9 P 5.6483036 0.2306313 0.2513053 -0.2394262 4.8350639 0.4175360 0.2713941 -0.4072408 5.8945753 10 P 5.6483036 -0.2306313 0.2513053 0.2394262 4.8350639 -0.4175360 0.2713941 0.4072408 5.8945753 11 P 5.6483036 0.2306313 0.2513053 -0.2394262 4.8350639 0.4175360 0.2713941 -0.4072408 5.8945753 12 P 5.6483036 -0.2306313 0.2513053 0.2394262 4.8350639 -0.4175360 0.2713941 0.4072408 5.8945753 13 P 6.0379726 0.3918399 0.0531639 -0.4234938 4.8339840 0.2502996 0.0118857 -0.2584838 5.5120028 14 P 6.0379726 -0.3918399 0.0531639 0.4234938 4.8339840 -0.2502996 0.0118857 0.2584838 5.5120028 15 P 6.0379726 0.3918399 0.0531639 -0.4234938 4.8339840 0.2502996 0.0118857 -0.2584838 5.5120028 16 P 6.0379726 -0.3918399 0.0531639 0.4234938 4.8339840 -0.2502996 0.0118857 0.2584838 5.5120028 17 O -3.0058261 -0.0011014 -2.3606608 0.0897746 -1.1902963 -0.0101199 -2.0658451 0.1304531 -3.9160963 18 O -3.0058261 0.0011014 -2.3606608 -0.0897746 -1.1902963 0.0101199 -2.0658451 -0.1304531 -3.9160963 19 O -3.0058261 -0.0011014 -2.3606608 0.0897746 -1.1902963 -0.0101199 -2.0658451 0.1304531 -3.9160963 20 O -3.0058261 0.0011014 -2.3606608 -0.0897746 -1.1902963 0.0101199 -2.0658451 -0.1304531 -3.9160963 21 O -1.4331824 0.0075897 -0.5099416 -0.0308374 -1.1610305 -0.0292878 -1.0186064 -0.1006964 -5.0286981 22 O -1.4331824 -0.0075897 -0.5099416 0.0308374 -1.1610305 0.0292878 -1.0186064 0.1006964 -5.0286981 23 O -1.4331824 0.0075897 -0.5099416 -0.0308374 -1.1610305 -0.0292878 -1.0186064 -0.1006964 -5.0286981 24 O -1.4331824 -0.0075897 -0.5099416 0.0308374 -1.1610305 0.0292878 -1.0186064 0.1006964 -5.0286981 25 O -3.2633254 -2.4558724 1.2195888 -3.5558862 -5.2361541 1.7979113 1.2362055 1.2699062 -1.5470386 26 O -3.2633254 2.4558724 1.2195888 3.5558862 -5.2361541 -1.7979113 1.2362055 -1.2699062 -1.5470386 27 O -3.2633254 -2.4558724 1.2195888 -3.5558862 -5.2361541 1.7979113 1.2362055 1.2699062 -1.5470386 28 O -3.2633254 2.4558724 1.2195888 3.5558862 -5.2361541 -1.7979113 1.2362055 -1.2699062 -1.5470386 29 O -2.4939134 1.5779496 0.7834171 1.4345752 -3.3074228 -0.9776351 0.7970249 -1.0798944 -1.7620428 30 O -2.4939134 -1.5779496 0.7834171 -1.4345752 -3.3074228 0.9776351 0.7970249 1.0798944 -1.7620428 31 O -2.4939134 1.5779496 0.7834171 1.4345752 -3.3074228 -0.9776351 0.7970249 -1.0798944 -1.7620428 32 O -2.4939134 -1.5779496 0.7834171 -1.4345752 -3.3074228 0.9776351 0.7970249 1.0798944 -1.7620428 33 O -2.4713882 -1.7040590 0.8060195 -1.6005094 -3.5176913 1.0583968 0.8420778 1.1640856 -1.7775615 34 O -2.4713882 1.7040590 0.8060195 1.6005094 -3.5176913 -1.0583968 0.8420778 -1.1640856 -1.7775615 35 O -2.4713882 -1.7040590 0.8060195 -1.6005094 -3.5176913 1.0583968 0.8420778 1.1640856 -1.7775615 36 O -2.4713882 1.7040590 0.8060195 1.6005094 -3.5176913 -1.0583968 0.8420778 -1.1640856 -1.7775615 37 O -5.5488009 0.0477119 -0.6454710 -0.0573061 -1.1845584 -0.0055820 -0.9360653 0.0177656 -1.3483498 38 O -5.5488009 -0.0477119 -0.6454710 0.0573061 -1.1845584 0.0055820 -0.9360653 -0.0177656 -1.3483498 39 O -5.5488009 0.0477119 -0.6454710 -0.0573061 -1.1845584 -0.0055820 -0.9360653 0.0177656 -1.3483498 40 O -5.5488009 -0.0477119 -0.6454710 0.0573061 -1.1845584 0.0055820 -0.9360653 -0.0177656 -1.3483498 41 O -4.8008500 0.0362591 0.8671220 -0.0322269 -1.1621891 0.0194027 1.3620128 -0.0326340 -1.6311335 42 O -4.8008500 -0.0362591 0.8671220 0.0322269 -1.1621891 -0.0194027 1.3620128 0.0326340 -1.6311335 43 O -4.8008500 0.0362591 0.8671220 -0.0322269 -1.1621891 0.0194027 1.3620128 -0.0326340 -1.6311335 44 O -4.8008500 -0.0362591 0.8671220 0.0322269 -1.1621891 -0.0194027 1.3620128 0.0326340 -1.6311335 45 O -0.9067949 -0.0903502 -0.0763508 -0.1568901 -5.2610907 -4.0140586 -0.0838498 -2.7687747 -3.9218882 46 O -0.9067949 0.0903502 -0.0763508 0.1568901 -5.2610907 4.0140586 -0.0838498 2.7687747 -3.9218882 47 O -0.9067949 -0.0903502 -0.0763508 -0.1568901 -5.2610907 -4.0140586 -0.0838498 -2.7687747 -3.9218882 48 O -0.9067949 0.0903502 -0.0763508 0.1568901 -5.2610907 4.0140586 -0.0838498 2.7687747 -3.9218882 49 O -1.2541172 0.2043885 0.1403824 0.1462114 -3.3325886 -1.7507660 0.1159565 -1.9356192 -3.0175563 50 O -1.2541172 -0.2043885 0.1403824 -0.1462114 -3.3325886 1.7507660 0.1159565 1.9356192 -3.0175563 51 O -1.2541172 0.2043885 0.1403824 0.1462114 -3.3325886 -1.7507660 0.1159565 -1.9356192 -3.0175563 52 O -1.2541172 -0.2043885 0.1403824 -0.1462114 -3.3325886 1.7507660 0.1159565 1.9356192 -3.0175563 53 O -1.2511845 -0.1470371 0.1222140 -0.1469680 -3.4715342 1.8771071 0.0993476 2.0245538 -2.9877595 54 O -1.2511845 0.1470371 0.1222140 0.1469680 -3.4715342 -1.8771071 0.0993476 -2.0245538 -2.9877595 55 O -1.2511845 -0.1470371 0.1222140 -0.1469680 -3.4715342 1.8771071 0.0993476 2.0245538 -2.9877595 56 O -1.2511845 0.1470371 0.1222140 0.1469680 -3.4715342 -1.8771071 0.0993476 -2.0245538 -2.9877595 ---------------------------------------------------------------------------- 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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] 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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] 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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] 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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] 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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] 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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] 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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] 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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] 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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] 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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] 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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] 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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] 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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] 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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): 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 10:36:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:36:26]------------------------- Compiled with OpenMP support (max 32 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 13.215247070070287 0.000000000000000 0.000000000000000 b 0.000000000000000 5.366941000000000 0.000000000000000 c -6.803673715291733 0.000000000000000 11.591781730666657 Atomic positions (fractional): 1 Nb 0.06314839713015 0.75527828714061 0.69755825873680 92.906 2 Nb 0.93685160286985 0.25527828714061 0.80244174126320 92.906 3 Nb 0.93685160286985 0.24472171285939 0.30244174126320 92.906 4 Nb 0.06314839713015 0.74472171285939 0.19755825873680 92.906 5 Nb 0.56316144922289 0.74700487485131 0.36567206289190 92.906 6 Nb 0.43683855077711 0.24700487485131 0.13432793710810 92.906 7 Nb 0.43683855077711 0.25299512514869 0.63432793710810 92.906 8 Nb 0.56316144922289 0.75299512514869 0.86567206289190 92.906 9 P 0.34646867503753 0.74040301452633 0.93776244153451 30.974 10 P 0.65353132496247 0.24040301452634 0.56223755846549 30.974 11 P 0.65353132496247 0.25959698547366 0.06223755846549 30.974 12 P 0.34646867503753 0.75959698547367 0.43776244153451 30.974 13 P 0.15346869989577 0.23693011965638 0.09094036456663 30.974 14 P 0.84653130010423 0.73693011965638 0.40905963543337 30.974 15 P 0.84653130010423 0.76306988034362 0.90905963543337 30.974 16 P 0.15346869989577 0.26306988034362 0.59094036456663 30.974 17 O 0.21571401448995 0.75276536977539 0.84347778550725 15.999 18 O 0.78428598551005 0.25276536977539 0.65652221449275 15.999 19 O 0.78428598551005 0.24723463022461 0.15652221449275 15.999 20 O 0.21571401448995 0.74723463022461 0.34347778550725 15.999 21 O 0.91931833210517 0.76025015648587 0.54136937022038 15.999 22 O 0.08068166789483 0.26025015648587 0.95863062977962 15.999 23 O 0.08068166789483 0.23974984351413 0.45863062977962 15.999 24 O 0.91931833210517 0.73974984351413 0.04136937022038 15.999 25 O 0.00727698912164 0.47096748307535 0.74192859107884 15.999 26 O 0.99272301087836 0.97096748307535 0.75807140892116 15.999 27 O 0.99272301087836 0.52903251692465 0.25807140892116 15.999 28 O 0.00727698912164 0.02903251692465 0.24192859107884 15.999 29 O 0.13450707690388 0.51885219920206 0.62867888236236 15.999 30 O 0.86549292309613 0.01885219920206 0.87132111763764 15.999 31 O 0.86549292309613 0.48114780079794 0.37132111763764 15.999 32 O 0.13450707690388 0.98114780079794 0.12867888236236 15.999 33 O 0.12127103549185 0.05262165442466 0.64662512354322 15.999 34 O 0.87872896450815 0.55262165442466 0.85337487645678 15.999 35 O 0.87872896450815 0.94737834557534 0.35337487645678 15.999 36 O 0.12127103549185 0.44737834557534 0.14662512354322 15.999 37 O 0.71599696500302 0.76409837167827 0.37244199648536 15.999 38 O 0.28400303499698 0.26409837167827 0.12755800351464 15.999 39 O 0.28400303499698 0.23590162832173 0.62755800351464 15.999 40 O 0.71599696500302 0.73590162832173 0.87244199648536 15.999 41 O 0.41951364167509 0.72466370209281 0.37865949943012 15.999 42 O 0.58048635832491 0.22466370209281 0.12134050056988 15.999 43 O 0.58048635832491 0.27533629790719 0.62134050056988 15.999 44 O 0.41951364167509 0.77533629790719 0.87865949943012 15.999 45 O 0.49744786468955 0.52681484062368 0.23614070055848 15.999 46 O 0.50255213531045 0.02681484062368 0.26385929944152 15.999 47 O 0.50255213531045 0.47318515937632 0.76385929944152 15.999 48 O 0.49744786468955 0.97318515937632 0.73614070055848 15.999 49 O 0.62872500058618 0.98507896142369 0.50415311740339 15.999 50 O 0.37127499941382 0.48507896142369 0.99584688259661 15.999 51 O 0.37127499941382 0.01492103857631 0.49584688259661 15.999 52 O 0.62872500058618 0.51492103857631 0.00415311740339 15.999 53 O 0.62740005860921 0.45122708584786 0.47602552895201 15.999 54 O 0.37259994139079 0.95122708584786 0.02397447104799 15.999 55 O 0.37259994139079 0.54877291415214 0.52397447104799 15.999 56 O 0.62740005860921 0.04877291415214 0.97602552895201 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.215247070070287 0.000000000000000 0.000000000000000 b 0.000000000000000 10.733881999999999 0.000000000000000 c -6.803673715291733 0.000000000000000 11.591781730666657 Atomic positions (fractional): 1 Nb 0.06314839713015 0.37763914357030 0.69755825873680 92.906 > 1 2 Nb 0.06314839713015 0.87763914357030 0.69755825873680 92.906 > 1 3 Nb 0.93685160286985 0.12763914357030 0.80244174126320 92.906 > 3 4 Nb 0.93685160286985 0.62763914357030 0.80244174126320 92.906 > 3 5 Nb 0.93685160286985 0.12236085642970 0.30244174126320 92.906 > 5 6 Nb 0.93685160286985 0.62236085642970 0.30244174126320 92.906 > 5 7 Nb 0.06314839713015 0.37236085642970 0.19755825873680 92.906 > 7 8 Nb 0.06314839713015 0.87236085642970 0.19755825873680 92.906 > 7 9 Nb 0.56316144922289 0.37350243742566 0.36567206289190 92.906 > 9 10 Nb 0.56316144922289 0.87350243742566 0.36567206289190 92.906 > 9 11 Nb 0.43683855077711 0.12350243742566 0.13432793710810 92.906 > 11 12 Nb 0.43683855077711 0.62350243742566 0.13432793710810 92.906 > 11 13 Nb 0.43683855077711 0.12649756257434 0.63432793710810 92.906 > 13 14 Nb 0.43683855077711 0.62649756257434 0.63432793710810 92.906 > 13 15 Nb 0.56316144922289 0.37649756257434 0.86567206289190 92.906 > 15 16 Nb 0.56316144922289 0.87649756257434 0.86567206289190 92.906 > 15 17 P 0.34646867503753 0.37020150726317 0.93776244153451 30.974 > 17 18 P 0.34646867503753 0.87020150726317 0.93776244153451 30.974 > 17 19 P 0.65353132496247 0.12020150726317 0.56223755846549 30.974 > 19 20 P 0.65353132496247 0.62020150726317 0.56223755846549 30.974 > 19 21 P 0.65353132496247 0.12979849273683 0.06223755846549 30.974 > 21 22 P 0.65353132496247 0.62979849273683 0.06223755846549 30.974 > 21 23 P 0.34646867503753 0.37979849273683 0.43776244153451 30.974 > 23 24 P 0.34646867503753 0.87979849273683 0.43776244153451 30.974 > 23 25 P 0.15346869989577 0.11846505982819 0.09094036456663 30.974 > 25 26 P 0.15346869989577 0.61846505982819 0.09094036456663 30.974 > 25 27 P 0.84653130010423 0.36846505982819 0.40905963543337 30.974 > 27 28 P 0.84653130010423 0.86846505982819 0.40905963543337 30.974 > 27 29 P 0.84653130010423 0.38153494017181 0.90905963543337 30.974 > 29 30 P 0.84653130010423 0.88153494017181 0.90905963543337 30.974 > 29 31 P 0.15346869989577 0.13153494017181 0.59094036456663 30.974 > 31 32 P 0.15346869989577 0.63153494017181 0.59094036456663 30.974 > 31 33 O 0.21571401448995 0.37638268488769 0.84347778550725 15.999 > 33 34 O 0.21571401448995 0.87638268488769 0.84347778550725 15.999 > 33 35 O 0.78428598551005 0.12638268488769 0.65652221449275 15.999 > 35 36 O 0.78428598551005 0.62638268488769 0.65652221449275 15.999 > 35 37 O 0.78428598551005 0.12361731511231 0.15652221449275 15.999 > 37 38 O 0.78428598551005 0.62361731511231 0.15652221449275 15.999 > 37 39 O 0.21571401448995 0.37361731511231 0.34347778550725 15.999 > 39 40 O 0.21571401448995 0.87361731511231 0.34347778550725 15.999 > 39 41 O 0.91931833210517 0.38012507824294 0.54136937022038 15.999 > 41 42 O 0.91931833210517 0.88012507824294 0.54136937022038 15.999 > 41 43 O 0.08068166789483 0.13012507824294 0.95863062977962 15.999 > 43 44 O 0.08068166789483 0.63012507824294 0.95863062977962 15.999 > 43 45 O 0.08068166789483 0.11987492175707 0.45863062977962 15.999 > 45 46 O 0.08068166789483 0.61987492175707 0.45863062977962 15.999 > 45 47 O 0.91931833210517 0.36987492175706 0.04136937022038 15.999 > 47 48 O 0.91931833210517 0.86987492175706 0.04136937022038 15.999 > 47 49 O 0.00727698912164 0.23548374153768 0.74192859107884 15.999 > 49 50 O 0.00727698912164 0.73548374153768 0.74192859107884 15.999 > 49 51 O 0.99272301087836 0.48548374153768 0.75807140892116 15.999 > 51 52 O 0.99272301087836 0.98548374153768 0.75807140892116 15.999 > 51 53 O 0.99272301087836 0.26451625846232 0.25807140892116 15.999 > 53 54 O 0.99272301087836 0.76451625846232 0.25807140892116 15.999 > 53 55 O 0.00727698912164 0.01451625846232 0.24192859107884 15.999 > 55 56 O 0.00727698912164 0.51451625846232 0.24192859107884 15.999 > 55 57 O 0.13450707690388 0.25942609960103 0.62867888236236 15.999 > 57 58 O 0.13450707690388 0.75942609960103 0.62867888236236 15.999 > 57 59 O 0.86549292309613 0.00942609960103 0.87132111763764 15.999 > 59 60 O 0.86549292309613 0.50942609960103 0.87132111763764 15.999 > 59 61 O 0.86549292309613 0.24057390039897 0.37132111763764 15.999 > 61 62 O 0.86549292309613 0.74057390039897 0.37132111763764 15.999 > 61 63 O 0.13450707690388 0.49057390039897 0.12867888236236 15.999 > 63 64 O 0.13450707690388 0.99057390039897 0.12867888236236 15.999 > 63 65 O 0.12127103549185 0.02631082721233 0.64662512354322 15.999 > 65 66 O 0.12127103549185 0.52631082721233 0.64662512354322 15.999 > 65 67 O 0.87872896450815 0.27631082721233 0.85337487645678 15.999 > 67 68 O 0.87872896450815 0.77631082721233 0.85337487645678 15.999 > 67 69 O 0.87872896450815 0.47368917278767 0.35337487645678 15.999 > 69 70 O 0.87872896450815 0.97368917278767 0.35337487645678 15.999 > 69 71 O 0.12127103549185 0.22368917278767 0.14662512354322 15.999 > 71 72 O 0.12127103549185 0.72368917278767 0.14662512354322 15.999 > 71 73 O 0.71599696500302 0.38204918583913 0.37244199648536 15.999 > 73 74 O 0.71599696500302 0.88204918583914 0.37244199648536 15.999 > 73 75 O 0.28400303499698 0.13204918583913 0.12755800351464 15.999 > 75 76 O 0.28400303499698 0.63204918583914 0.12755800351464 15.999 > 75 77 O 0.28400303499698 0.11795081416087 0.62755800351464 15.999 > 77 78 O 0.28400303499698 0.61795081416086 0.62755800351464 15.999 > 77 79 O 0.71599696500302 0.36795081416087 0.87244199648536 15.999 > 79 80 O 0.71599696500302 0.86795081416086 0.87244199648536 15.999 > 79 81 O 0.41951364167509 0.36233185104640 0.37865949943012 15.999 > 81 82 O 0.41951364167509 0.86233185104640 0.37865949943012 15.999 > 81 83 O 0.58048635832491 0.11233185104640 0.12134050056988 15.999 > 83 84 O 0.58048635832491 0.61233185104640 0.12134050056988 15.999 > 83 85 O 0.58048635832491 0.13766814895360 0.62134050056988 15.999 > 85 86 O 0.58048635832491 0.63766814895360 0.62134050056988 15.999 > 85 87 O 0.41951364167509 0.38766814895360 0.87865949943012 15.999 > 87 88 O 0.41951364167509 0.88766814895360 0.87865949943012 15.999 > 87 89 O 0.49744786468955 0.26340742031184 0.23614070055848 15.999 > 89 90 O 0.49744786468955 0.76340742031184 0.23614070055848 15.999 > 89 91 O 0.50255213531045 0.01340742031184 0.26385929944152 15.999 > 91 92 O 0.50255213531045 0.51340742031184 0.26385929944152 15.999 > 91 93 O 0.50255213531045 0.23659257968816 0.76385929944152 15.999 > 93 94 O 0.50255213531045 0.73659257968816 0.76385929944152 15.999 > 93 95 O 0.49744786468955 0.48659257968816 0.73614070055848 15.999 > 95 96 O 0.49744786468955 0.98659257968816 0.73614070055848 15.999 > 95 97 O 0.62872500058618 0.49253948071184 0.50415311740339 15.999 > 97 98 O 0.62872500058618 0.99253948071184 0.50415311740339 15.999 > 97 99 O 0.37127499941382 0.24253948071184 0.99584688259661 15.999 > 99 100 O 0.37127499941382 0.74253948071184 0.99584688259661 15.999 > 99 101 O 0.37127499941382 0.00746051928816 0.49584688259661 15.999 > 101 102 O 0.37127499941382 0.50746051928816 0.49584688259661 15.999 > 101 103 O 0.62872500058618 0.25746051928816 0.00415311740339 15.999 > 103 104 O 0.62872500058618 0.75746051928816 0.00415311740339 15.999 > 103 105 O 0.62740005860921 0.22561354292393 0.47602552895201 15.999 > 105 106 O 0.62740005860921 0.72561354292393 0.47602552895201 15.999 > 105 107 O 0.37259994139079 0.47561354292393 0.02397447104799 15.999 > 107 108 O 0.37259994139079 0.97561354292393 0.02397447104799 15.999 > 107 109 O 0.37259994139079 0.27438645707607 0.52397447104799 15.999 > 109 110 O 0.37259994139079 0.77438645707607 0.52397447104799 15.999 > 109 111 O 0.62740005860921 0.02438645707607 0.97602552895201 15.999 > 111 112 O 0.62740005860921 0.52438645707607 0.97602552895201 15.999 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.2077430 0.0000000 -0.0592682 0.0000000 4.8853982 0.0000000 -0.0592637 0.0000000 4.2864760 -------------------------- Born effective charges -------------------------- 1 Nb 7.6116629 0.7097273 -0.4786057 -0.7436112 9.5730422 0.4771862 -0.4273589 -0.4756021 7.5258755 2 Nb 7.6116629 -0.7097273 -0.4786057 0.7436112 9.5730422 -0.4771862 -0.4273589 0.4756021 7.5258755 3 Nb 7.6116629 0.7097273 -0.4786057 -0.7436112 9.5730422 0.4771862 -0.4273589 -0.4756021 7.5258755 4 Nb 7.6116629 -0.7097273 -0.4786057 0.7436112 9.5730422 -0.4771862 -0.4273589 0.4756021 7.5258755 5 Nb 7.1314438 0.3058776 -0.1721830 -0.3961207 9.5824658 0.8267929 -0.2041794 -0.7532009 8.0056710 6 Nb 7.1314438 -0.3058776 -0.1721830 0.3961207 9.5824658 -0.8267929 -0.2041794 0.7532009 8.0056710 7 Nb 7.1314438 0.3058776 -0.1721830 -0.3961207 9.5824658 0.8267929 -0.2041794 -0.7532009 8.0056710 8 Nb 7.1314438 -0.3058776 -0.1721830 0.3961207 9.5824658 -0.8267929 -0.2041794 0.7532009 8.0056710 9 P 5.6483036 0.2306313 0.2513053 -0.2394262 4.8350639 0.4175360 0.2713941 -0.4072408 5.8945753 10 P 5.6483036 -0.2306313 0.2513053 0.2394262 4.8350639 -0.4175360 0.2713941 0.4072408 5.8945753 11 P 5.6483036 0.2306313 0.2513053 -0.2394262 4.8350639 0.4175360 0.2713941 -0.4072408 5.8945753 12 P 5.6483036 -0.2306313 0.2513053 0.2394262 4.8350639 -0.4175360 0.2713941 0.4072408 5.8945753 13 P 6.0379726 0.3918399 0.0531639 -0.4234938 4.8339840 0.2502996 0.0118857 -0.2584838 5.5120028 14 P 6.0379726 -0.3918399 0.0531639 0.4234938 4.8339840 -0.2502996 0.0118857 0.2584838 5.5120028 15 P 6.0379726 0.3918399 0.0531639 -0.4234938 4.8339840 0.2502996 0.0118857 -0.2584838 5.5120028 16 P 6.0379726 -0.3918399 0.0531639 0.4234938 4.8339840 -0.2502996 0.0118857 0.2584838 5.5120028 17 O -3.0058261 -0.0011014 -2.3606608 0.0897746 -1.1902963 -0.0101199 -2.0658451 0.1304531 -3.9160963 18 O -3.0058261 0.0011014 -2.3606608 -0.0897746 -1.1902963 0.0101199 -2.0658451 -0.1304531 -3.9160963 19 O -3.0058261 -0.0011014 -2.3606608 0.0897746 -1.1902963 -0.0101199 -2.0658451 0.1304531 -3.9160963 20 O -3.0058261 0.0011014 -2.3606608 -0.0897746 -1.1902963 0.0101199 -2.0658451 -0.1304531 -3.9160963 21 O -1.4331824 0.0075897 -0.5099416 -0.0308374 -1.1610305 -0.0292878 -1.0186064 -0.1006964 -5.0286981 22 O -1.4331824 -0.0075897 -0.5099416 0.0308374 -1.1610305 0.0292878 -1.0186064 0.1006964 -5.0286981 23 O -1.4331824 0.0075897 -0.5099416 -0.0308374 -1.1610305 -0.0292878 -1.0186064 -0.1006964 -5.0286981 24 O -1.4331824 -0.0075897 -0.5099416 0.0308374 -1.1610305 0.0292878 -1.0186064 0.1006964 -5.0286981 25 O -3.2633254 -2.4558724 1.2195888 -3.5558862 -5.2361541 1.7979113 1.2362055 1.2699062 -1.5470386 26 O -3.2633254 2.4558724 1.2195888 3.5558862 -5.2361541 -1.7979113 1.2362055 -1.2699062 -1.5470386 27 O -3.2633254 -2.4558724 1.2195888 -3.5558862 -5.2361541 1.7979113 1.2362055 1.2699062 -1.5470386 28 O -3.2633254 2.4558724 1.2195888 3.5558862 -5.2361541 -1.7979113 1.2362055 -1.2699062 -1.5470386 29 O -2.4939134 1.5779496 0.7834171 1.4345752 -3.3074228 -0.9776351 0.7970249 -1.0798944 -1.7620428 30 O -2.4939134 -1.5779496 0.7834171 -1.4345752 -3.3074228 0.9776351 0.7970249 1.0798944 -1.7620428 31 O -2.4939134 1.5779496 0.7834171 1.4345752 -3.3074228 -0.9776351 0.7970249 -1.0798944 -1.7620428 32 O -2.4939134 -1.5779496 0.7834171 -1.4345752 -3.3074228 0.9776351 0.7970249 1.0798944 -1.7620428 33 O -2.4713882 -1.7040590 0.8060195 -1.6005094 -3.5176913 1.0583968 0.8420778 1.1640856 -1.7775615 34 O -2.4713882 1.7040590 0.8060195 1.6005094 -3.5176913 -1.0583968 0.8420778 -1.1640856 -1.7775615 35 O -2.4713882 -1.7040590 0.8060195 -1.6005094 -3.5176913 1.0583968 0.8420778 1.1640856 -1.7775615 36 O -2.4713882 1.7040590 0.8060195 1.6005094 -3.5176913 -1.0583968 0.8420778 -1.1640856 -1.7775615 37 O -5.5488009 0.0477119 -0.6454710 -0.0573061 -1.1845584 -0.0055820 -0.9360653 0.0177656 -1.3483498 38 O -5.5488009 -0.0477119 -0.6454710 0.0573061 -1.1845584 0.0055820 -0.9360653 -0.0177656 -1.3483498 39 O -5.5488009 0.0477119 -0.6454710 -0.0573061 -1.1845584 -0.0055820 -0.9360653 0.0177656 -1.3483498 40 O -5.5488009 -0.0477119 -0.6454710 0.0573061 -1.1845584 0.0055820 -0.9360653 -0.0177656 -1.3483498 41 O -4.8008500 0.0362591 0.8671220 -0.0322269 -1.1621891 0.0194027 1.3620128 -0.0326340 -1.6311335 42 O -4.8008500 -0.0362591 0.8671220 0.0322269 -1.1621891 -0.0194027 1.3620128 0.0326340 -1.6311335 43 O -4.8008500 0.0362591 0.8671220 -0.0322269 -1.1621891 0.0194027 1.3620128 -0.0326340 -1.6311335 44 O -4.8008500 -0.0362591 0.8671220 0.0322269 -1.1621891 -0.0194027 1.3620128 0.0326340 -1.6311335 45 O -0.9067949 -0.0903502 -0.0763508 -0.1568901 -5.2610907 -4.0140586 -0.0838498 -2.7687747 -3.9218882 46 O -0.9067949 0.0903502 -0.0763508 0.1568901 -5.2610907 4.0140586 -0.0838498 2.7687747 -3.9218882 47 O -0.9067949 -0.0903502 -0.0763508 -0.1568901 -5.2610907 -4.0140586 -0.0838498 -2.7687747 -3.9218882 48 O -0.9067949 0.0903502 -0.0763508 0.1568901 -5.2610907 4.0140586 -0.0838498 2.7687747 -3.9218882 49 O -1.2541172 0.2043885 0.1403824 0.1462114 -3.3325886 -1.7507660 0.1159565 -1.9356192 -3.0175563 50 O -1.2541172 -0.2043885 0.1403824 -0.1462114 -3.3325886 1.7507660 0.1159565 1.9356192 -3.0175563 51 O -1.2541172 0.2043885 0.1403824 0.1462114 -3.3325886 -1.7507660 0.1159565 -1.9356192 -3.0175563 52 O -1.2541172 -0.2043885 0.1403824 -0.1462114 -3.3325886 1.7507660 0.1159565 1.9356192 -3.0175563 53 O -1.2511845 -0.1470371 0.1222140 -0.1469680 -3.4715342 1.8771071 0.0993476 2.0245538 -2.9877595 54 O -1.2511845 0.1470371 0.1222140 0.1469680 -3.4715342 -1.8771071 0.0993476 -2.0245538 -2.9877595 55 O -1.2511845 -0.1470371 0.1222140 -0.1469680 -3.4715342 1.8771071 0.0993476 2.0245538 -2.9877595 56 O -1.2511845 0.1470371 0.1222140 0.1469680 -3.4715342 -1.8771071 0.0993476 -2.0245538 -2.9877595 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) 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 9 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.44, Number of G-points: 323, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/50) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| -0.000 ( 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 1.584 ( 0.000 0.000 0.000) 0.000 1.615 ( 0.000 0.000 0.000) 0.000 1.691 ( 0.000 0.000 0.000) 0.000 1.912 ( 0.000 0.000 0.000) 0.000 2.068 ( 0.000 0.000 0.000) 0.000 2.231 ( 0.000 0.000 0.000) 0.000 2.310 ( 0.000 0.000 0.000) 0.000 2.444 ( 0.000 0.000 0.000) 0.000 2.500 ( 0.000 0.000 0.000) 0.000 2.520 ( 0.000 0.000 0.000) 0.000 2.768 ( 0.000 0.000 0.000) 0.000 2.815 ( 0.000 0.000 0.000) 0.000 3.091 ( 0.000 0.000 0.000) 0.000 3.300 ( 0.000 0.000 0.000) 0.000 3.472 ( 0.000 0.000 0.000) 0.000 3.556 ( 0.000 0.000 0.000) 0.000 3.727 ( 0.000 0.000 0.000) 0.000 3.861 ( 0.000 0.000 0.000) 0.000 3.879 ( 0.000 0.000 0.000) 0.000 3.925 ( 0.000 0.000 0.000) 0.000 3.988 ( 0.000 0.000 0.000) 0.000 4.065 ( 0.000 0.000 0.000) 0.000 4.223 ( 0.000 0.000 0.000) 0.000 4.233 ( 0.000 0.000 0.000) 0.000 4.595 ( 0.000 0.000 0.000) 0.000 4.665 ( 0.000 0.000 0.000) 0.000 4.675 ( 0.000 0.000 0.000) 0.000 4.899 ( 0.000 0.000 0.000) 0.000 5.066 ( 0.000 0.000 0.000) 0.000 5.075 ( 0.000 0.000 0.000) 0.000 5.108 ( 0.000 0.000 0.000) 0.000 5.134 ( 0.000 0.000 0.000) 0.000 5.145 ( 0.000 0.000 0.000) 0.000 5.641 ( 0.000 0.000 0.000) 0.000 5.719 ( 0.000 0.000 0.000) 0.000 5.937 ( 0.000 0.000 0.000) 0.000 6.010 ( 0.000 0.000 0.000) 0.000 6.082 ( 0.000 0.000 0.000) 0.000 6.107 ( 0.000 0.000 0.000) 0.000 6.149 ( 0.000 0.000 0.000) 0.000 6.278 ( 0.000 0.000 0.000) 0.000 6.446 ( 0.000 0.000 0.000) 0.000 6.515 ( 0.000 0.000 0.000) 0.000 6.574 ( 0.000 0.000 0.000) 0.000 6.680 ( 0.000 0.000 0.000) 0.000 6.733 ( 0.000 0.000 0.000) 0.000 6.939 ( 0.000 0.000 0.000) 0.000 7.072 ( 0.000 0.000 0.000) 0.000 7.081 ( 0.000 0.000 0.000) 0.000 7.128 ( 0.000 0.000 0.000) 0.000 7.370 ( 0.000 0.000 0.000) 0.000 7.502 ( 0.000 0.000 0.000) 0.000 7.602 ( 0.000 0.000 0.000) 0.000 7.768 ( 0.000 0.000 0.000) 0.000 8.030 ( 0.000 0.000 0.000) 0.000 8.041 ( 0.000 0.000 0.000) 0.000 8.066 ( 0.000 0.000 0.000) 0.000 8.069 ( 0.000 0.000 0.000) 0.000 8.071 ( 0.000 0.000 0.000) 0.000 8.121 ( 0.000 0.000 0.000) 0.000 8.279 ( 0.000 0.000 0.000) 0.000 8.338 ( 0.000 0.000 0.000) 0.000 8.425 ( 0.000 0.000 0.000) 0.000 8.427 ( 0.000 0.000 0.000) 0.000 8.491 ( 0.000 0.000 0.000) 0.000 8.619 ( 0.000 0.000 0.000) 0.000 8.654 ( 0.000 0.000 0.000) 0.000 8.700 ( 0.000 0.000 0.000) 0.000 8.914 ( 0.000 0.000 0.000) 0.000 8.986 ( 0.000 0.000 0.000) 0.000 9.014 ( 0.000 0.000 0.000) 0.000 9.156 ( 0.000 0.000 0.000) 0.000 9.216 ( 0.000 0.000 0.000) 0.000 9.759 ( 0.000 0.000 0.000) 0.000 9.851 ( 0.000 0.000 0.000) 0.000 9.939 ( 0.000 0.000 0.000) 0.000 10.329 ( 0.000 0.000 0.000) 0.000 10.389 ( 0.000 0.000 0.000) 0.000 10.455 ( 0.000 0.000 0.000) 0.000 10.580 ( 0.000 0.000 0.000) 0.000 10.755 ( 0.000 0.000 0.000) 0.000 10.783 ( 0.000 0.000 0.000) 0.000 10.861 ( 0.000 0.000 0.000) 0.000 10.901 ( 0.000 0.000 0.000) 0.000 11.159 ( 0.000 0.000 0.000) 0.000 11.162 ( 0.000 0.000 0.000) 0.000 11.243 ( 0.000 0.000 0.000) 0.000 11.528 ( 0.000 0.000 0.000) 0.000 11.667 ( 0.000 0.000 0.000) 0.000 11.817 ( 0.000 0.000 0.000) 0.000 11.817 ( 0.000 0.000 0.000) 0.000 11.902 ( 0.000 0.000 0.000) 0.000 11.977 ( 0.000 0.000 0.000) 0.000 12.034 ( 0.000 0.000 0.000) 0.000 12.220 ( 0.000 0.000 0.000) 0.000 12.265 ( 0.000 0.000 0.000) 0.000 12.267 ( 0.000 0.000 0.000) 0.000 12.322 ( 0.000 0.000 0.000) 0.000 12.384 ( 0.000 0.000 0.000) 0.000 12.462 ( 0.000 0.000 0.000) 0.000 12.486 ( 0.000 0.000 0.000) 0.000 15.878 ( 0.000 0.000 0.000) 0.000 15.905 ( 0.000 0.000 0.000) 0.000 16.009 ( 0.000 0.000 0.000) 0.000 16.110 ( 0.000 0.000 0.000) 0.000 16.643 ( 0.000 0.000 0.000) 0.000 16.748 ( 0.000 0.000 0.000) 0.000 16.769 ( 0.000 0.000 0.000) 0.000 16.774 ( 0.000 0.000 0.000) 0.000 16.822 ( 0.000 0.000 0.000) 0.000 16.926 ( 0.000 0.000 0.000) 0.000 16.985 ( 0.000 0.000 0.000) 0.000 17.009 ( 0.000 0.000 0.000) 0.000 17.041 ( 0.000 0.000 0.000) 0.000 17.043 ( 0.000 0.000 0.000) 0.000 17.058 ( 0.000 0.000 0.000) 0.000 17.077 ( 0.000 0.000 0.000) 0.000 17.139 ( 0.000 0.000 0.000) 0.000 17.166 ( 0.000 0.000 0.000) 0.000 17.226 ( 0.000 0.000 0.000) 0.000 17.275 ( 0.000 0.000 0.000) 0.000 17.410 ( 0.000 0.000 0.000) 0.000 17.561 ( 0.000 0.000 0.000) 0.000 17.575 ( 0.000 0.000 0.000) 0.000 17.603 ( 0.000 0.000 0.000) 0.000 17.823 ( 0.000 0.000 0.000) 0.000 17.955 ( 0.000 0.000 0.000) 0.000 18.003 ( 0.000 0.000 0.000) 0.000 18.012 ( 0.000 0.000 0.000) 0.000 22.606 ( 0.000 0.000 0.000) 0.000 23.302 ( 0.000 0.000 0.000) 0.000 24.459 ( 0.000 0.000 0.000) 0.000 24.467 ( 0.000 0.000 0.000) 0.000 28.279 ( 0.000 0.000 0.000) 0.000 28.294 ( 0.000 0.000 0.000) 0.000 28.503 ( 0.000 0.000 0.000) 0.000 28.554 ( 0.000 0.000 0.000) 0.000 28.601 ( 0.000 0.000 0.000) 0.000 28.841 ( 0.000 0.000 0.000) 0.000 28.858 ( 0.000 0.000 0.000) 0.000 29.130 ( 0.000 0.000 0.000) 0.000 29.288 ( 0.000 0.000 0.000) 0.000 29.933 ( 0.000 0.000 0.000) 0.000 29.947 ( 0.000 0.000 0.000) 0.000 30.001 ( 0.000 0.000 0.000) 0.000 30.003 ( 0.000 0.000 0.000) 0.000 30.032 ( 0.000 0.000 0.000) 0.000 30.051 ( 0.000 0.000 0.000) 0.000 30.061 ( 0.000 0.000 0.000) 0.000 30.073 ( 0.000 0.000 0.000) 0.000 31.550 ( 0.000 0.000 0.000) 0.000 31.707 ( 0.000 0.000 0.000) 0.000 31.733 ( 0.000 0.000 0.000) 0.000 31.758 ( 0.000 0.000 0.000) 0.000 31.785 ( 0.000 0.000 0.000) 0.000 31.840 ( 0.000 0.000 0.000) 0.000 31.994 ( 0.000 0.000 0.000) 0.000 32.492 ( 0.000 0.000 0.000) 0.000 32.976 ( 0.000 0.000 0.000) 0.000 33.013 ( 0.000 0.000 0.000) 0.000 33.804 ( 0.000 0.000 0.000) 0.000 34.437 ( 0.000 0.000 0.000) 0.000 35.445 ( 0.000 0.000 0.000) 0.000 35.855 ( 0.000 0.000 0.000) 0.000 35.930 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/50) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 0.707 ( 26.796 0.000 11.266) 29.068 0.860 ( 34.271 0.000 19.065) 39.217 1.511 ( -7.223 0.000 0.206) 7.226 1.568 ( 46.400 0.000 32.073) 56.406 1.825 ( 18.055 0.000 7.030) 19.375 1.894 ( 10.319 0.000 13.235) 16.782 1.967 ( -8.598 0.000 7.405) 11.347 2.061 ( 10.239 0.000 9.484) 13.956 2.083 ( 1.555 0.000 -4.330) 4.601 2.471 ( -24.613 0.000 4.345) 24.993 2.485 ( 2.474 0.000 -13.255) 13.484 2.570 ( 7.648 0.000 -12.307) 14.490 2.749 ( 6.856 0.000 11.400) 13.303 2.794 ( 14.309 0.000 6.788) 15.838 2.846 ( 4.030 0.000 -4.895) 6.341 2.980 ( 4.707 0.000 -8.303) 9.544 3.113 ( -3.926 0.000 3.938) 5.560 3.253 ( -11.747 0.000 -15.394) 19.365 3.361 ( -17.388 0.000 -1.797) 17.480 3.453 ( -5.181 0.000 -5.769) 7.754 3.540 ( -15.077 0.000 1.662) 15.168 3.644 ( -4.902 0.000 -4.945) 6.963 3.812 ( 0.221 0.000 0.258) 0.340 3.854 ( -17.072 0.000 -11.471) 20.568 4.316 ( -7.640 0.000 6.763) 10.203 4.433 ( 7.048 0.000 -9.037) 11.460 4.461 ( -7.046 0.000 -4.005) 8.105 4.668 ( 0.018 0.000 1.599) 1.599 4.672 ( 21.354 0.000 15.129) 26.170 4.705 ( -3.040 0.000 1.674) 3.470 4.857 ( -3.163 0.000 -2.406) 3.974 4.976 ( -0.285 0.000 -1.245) 1.277 5.076 ( 2.055 0.000 -1.718) 2.679 5.149 ( 0.573 0.000 4.002) 4.043 5.218 ( 8.079 0.000 -1.513) 8.219 5.248 ( 1.919 0.000 1.379) 2.363 5.402 ( -13.357 0.000 -9.042) 16.129 5.637 ( -2.509 0.000 -13.405) 13.638 5.769 ( 7.818 0.000 5.101) 9.335 5.866 ( -15.309 0.000 -14.259) 20.921 5.934 ( -0.282 0.000 -0.194) 0.342 6.013 ( -10.735 0.000 4.712) 11.724 6.178 ( -11.244 0.000 14.769) 18.562 6.347 ( 7.908 0.000 -12.250) 14.581 6.405 ( -5.353 0.000 0.209) 5.358 6.605 ( -3.295 0.000 2.523) 4.150 6.703 ( -11.073 0.000 2.722) 11.403 6.781 ( 18.506 0.000 5.570) 19.326 6.999 ( 12.168 0.000 2.590) 12.440 7.057 ( 7.973 0.000 5.302) 9.575 7.117 ( 13.750 0.000 -1.705) 13.855 7.176 ( 7.956 0.000 1.381) 8.075 7.263 ( 7.766 0.000 12.263) 14.516 7.337 ( 6.006 0.000 2.534) 6.518 7.495 ( -8.443 0.000 -1.779) 8.628 7.530 ( -7.102 0.000 -10.620) 12.776 7.548 ( 2.238 0.000 -0.771) 2.367 7.884 ( -5.086 0.000 -10.864) 11.995 7.920 ( -13.758 0.000 1.918) 13.891 8.018 ( -5.244 0.000 -9.695) 11.022 8.030 ( -3.308 0.000 -2.847) 4.365 8.065 ( -5.020 0.000 7.973) 9.421 8.094 ( 0.868 0.000 1.059) 1.369 8.169 ( -0.334 0.000 -1.092) 1.142 8.433 ( 10.021 0.000 -0.927) 10.064 8.491 ( -2.629 0.000 -1.338) 2.950 8.580 ( -2.273 0.000 8.330) 8.635 8.650 ( 3.996 0.000 5.047) 6.437 8.682 ( -4.944 0.000 3.086) 5.828 8.707 ( 5.868 0.000 4.873) 7.627 8.927 ( 1.825 0.000 -2.900) 3.427 8.942 ( 3.408 0.000 -3.454) 4.852 9.121 ( 9.877 0.000 1.848) 10.049 9.182 ( 3.524 0.000 2.353) 4.237 9.331 ( 1.799 0.000 2.528) 3.103 9.377 ( -18.258 0.000 -8.805) 20.270 10.105 ( 13.659 0.000 7.597) 15.630 10.115 ( 12.504 0.000 11.032) 16.675 10.316 ( -0.190 0.000 1.229) 1.244 10.458 ( 8.502 0.000 0.129) 8.503 10.516 ( -6.120 0.000 2.563) 6.635 10.580 ( 0.854 0.000 0.308) 0.908 10.690 ( -4.718 0.000 -3.896) 6.119 10.699 ( 2.484 0.000 -12.778) 13.017 10.831 ( 1.942 0.000 3.238) 3.776 10.921 ( -1.992 0.000 4.615) 5.026 11.131 ( 2.571 0.000 -6.729) 7.204 11.155 ( -3.064 0.000 5.124) 5.971 11.382 ( 8.877 0.000 6.663) 11.100 11.594 ( 2.651 0.000 1.356) 2.978 11.633 ( -5.731 0.000 4.613) 7.357 11.769 ( -0.694 0.000 -4.991) 5.039 11.788 ( -1.967 0.000 -2.644) 3.295 11.937 ( -3.162 0.000 -1.831) 3.654 11.951 ( 3.200 0.000 2.743) 4.215 12.073 ( 3.239 0.000 0.422) 3.266 12.190 ( -0.451 0.000 -0.706) 0.837 12.194 ( -0.441 0.000 -2.797) 2.831 12.222 ( -3.544 0.000 0.518) 3.582 12.323 ( 0.077 0.000 -0.200) 0.215 12.367 ( -5.905 0.000 -3.149) 6.692 12.400 ( 0.691 0.000 0.293) 0.751 12.489 ( 0.603 0.000 0.413) 0.731 12.724 ( -7.207 0.000 -2.388) 7.592 15.876 ( -1.297 0.000 -1.590) 2.052 15.896 ( 1.119 0.000 0.627) 1.282 15.985 ( -1.341 0.000 -0.796) 1.560 16.087 ( -2.020 0.000 -1.585) 2.568 16.545 ( -2.875 0.000 -0.988) 3.040 16.551 ( -10.817 0.000 -7.257) 13.026 16.571 ( -11.965 0.000 -5.436) 13.142 16.809 ( -9.431 0.000 -6.538) 11.476 16.860 ( 1.771 0.000 0.193) 1.782 16.895 ( 3.865 0.000 4.258) 5.751 16.965 ( -2.341 0.000 -1.607) 2.840 16.991 ( -0.177 0.000 -1.597) 1.607 16.992 ( -3.773 0.000 -0.644) 3.827 17.018 ( -2.184 0.000 -2.272) 3.152 17.058 ( 0.280 0.000 0.662) 0.719 17.128 ( -1.474 0.000 1.345) 1.995 17.168 ( 2.611 0.000 0.284) 2.626 17.203 ( 6.192 0.000 1.511) 6.374 17.226 ( 0.517 0.000 0.742) 0.904 17.275 ( 0.186 0.000 -0.316) 0.366 17.321 ( 1.005 0.000 0.384) 1.076 17.545 ( -0.505 0.000 -0.101) 0.515 17.565 ( -0.661 0.000 -0.679) 0.948 17.736 ( -4.128 0.000 -5.744) 7.073 17.783 ( 7.970 0.000 8.000) 11.293 18.009 ( 0.909 0.000 0.327) 0.966 18.143 ( 4.470 0.000 8.231) 9.367 18.149 ( 9.118 0.000 -0.082) 9.118 23.312 ( 5.324 0.000 -6.655) 8.523 23.499 ( -9.105 0.000 3.869) 9.893 24.507 ( -7.620 0.000 19.926) 21.333 24.513 ( 13.587 0.000 -16.564) 21.424 28.400 ( 7.342 0.000 4.024) 8.372 28.482 ( -0.640 0.000 -0.590) 0.871 28.532 ( -0.870 0.000 -0.257) 0.908 28.619 ( 0.526 0.000 0.826) 0.979 28.836 ( -1.065 0.000 -0.161) 1.077 28.861 ( -0.302 0.000 -0.768) 0.825 29.126 ( -0.114 0.000 -0.130) 0.173 29.240 ( -3.450 0.000 -1.903) 3.940 29.939 ( 0.407 0.000 0.349) 0.536 29.947 ( -0.042 0.000 0.081) 0.091 29.987 ( -0.833 0.000 -0.787) 1.146 29.997 ( -0.155 0.000 -0.287) 0.326 30.037 ( 0.051 0.000 0.389) 0.392 30.054 ( 0.023 0.000 0.314) 0.315 30.059 ( -0.102 0.000 -0.106) 0.147 30.073 ( 0.123 0.000 -0.216) 0.249 31.566 ( 1.419 0.000 0.898) 1.679 31.683 ( -0.210 0.000 0.734) 0.764 31.707 ( 0.429 0.000 -0.435) 0.611 31.737 ( -5.101 0.000 -3.126) 5.982 31.902 ( 11.356 0.000 -2.790) 11.693 31.919 ( 2.811 0.000 11.029) 11.381 32.112 ( 7.064 0.000 3.141) 7.731 32.433 ( -4.475 0.000 -2.501) 5.127 32.960 ( -2.030 0.000 1.261) 2.390 32.993 ( -0.146 0.000 -2.579) 2.583 33.574 ( 8.192 0.000 -6.041) 10.179 33.775 ( -8.138 0.000 8.300) 11.624 35.467 ( 1.602 0.000 0.715) 1.754 35.526 ( -0.601 0.000 0.240) 0.647 35.773 ( -4.616 0.000 -4.036) 6.132 35.846 ( -5.946 0.000 -2.056) 6.291 ======================= Grid point 2 (3/50) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 1.206 ( 0.000 0.000 0.000) 0.000 1.297 ( -0.000 0.000 -0.000) 0.000 1.616 ( -0.000 0.000 -0.000) 0.000 1.756 ( 0.000 0.000 0.000) 0.000 2.000 ( 0.000 0.000 0.000) 0.000 2.062 ( 0.000 0.000 0.000) 0.000 2.092 ( 0.000 0.000 -0.000) 0.000 2.122 ( 0.000 0.000 -0.000) 0.000 2.247 ( 0.000 0.000 -0.000) 0.000 2.337 ( -0.000 0.000 -0.000) 0.000 2.550 ( -0.000 0.000 0.000) 0.000 2.570 ( 0.000 0.000 0.000) 0.000 2.620 ( -0.000 0.000 0.000) 0.000 2.792 ( 0.000 0.000 -0.000) 0.000 2.952 ( 0.000 0.000 0.000) 0.000 2.980 ( -0.000 0.000 0.000) 0.000 3.115 ( 0.000 0.000 -0.000) 0.000 3.140 ( 0.000 0.000 0.000) 0.000 3.327 ( 0.000 0.000 0.000) 0.000 3.450 ( 0.000 0.000 0.000) 0.000 3.540 ( 0.000 0.000 0.000) 0.000 3.559 ( 0.000 0.000 0.000) 0.000 3.689 ( 0.000 0.000 0.000) 0.000 3.821 ( 0.000 0.000 0.000) 0.000 3.994 ( 0.000 0.000 0.000) 0.000 4.169 ( 0.000 0.000 0.000) 0.000 4.505 ( 0.000 0.000 0.000) 0.000 4.581 ( -0.000 0.000 -0.000) 0.000 4.659 ( 0.000 0.000 -0.000) 0.000 4.775 ( 0.000 0.000 0.000) 0.000 4.887 ( -0.000 0.000 0.000) 0.000 4.980 ( 0.000 0.000 -0.000) 0.000 5.092 ( 0.000 0.000 0.000) 0.000 5.194 ( 0.000 0.000 0.000) 0.000 5.322 ( -0.000 0.000 -0.000) 0.000 5.377 ( 0.000 0.000 0.000) 0.000 5.400 ( -0.000 0.000 0.000) 0.000 5.419 ( 0.000 0.000 -0.000) 0.000 5.571 ( 0.000 0.000 0.000) 0.000 5.883 ( 0.000 0.000 0.000) 0.000 6.052 ( -0.000 0.000 -0.000) 0.000 6.063 ( 0.000 0.000 0.000) 0.000 6.069 ( 0.000 0.000 0.000) 0.000 6.191 ( 0.000 0.000 0.000) 0.000 6.426 ( -0.000 0.000 0.000) 0.000 6.431 ( 0.000 0.000 -0.000) 0.000 6.643 ( 0.000 0.000 0.000) 0.000 6.829 ( 0.000 0.000 0.000) 0.000 7.118 ( 0.000 0.000 0.000) 0.000 7.227 ( 0.000 0.000 0.000) 0.000 7.361 ( 0.000 0.000 0.000) 0.000 7.397 ( -0.000 0.000 0.000) 0.000 7.430 ( 0.000 0.000 0.000) 0.000 7.459 ( 0.000 0.000 -0.000) 0.000 7.522 ( 0.000 0.000 0.000) 0.000 7.524 ( 0.000 0.000 -0.000) 0.000 7.656 ( 0.000 0.000 0.000) 0.000 7.665 ( 0.000 0.000 -0.000) 0.000 7.793 ( 0.000 0.000 0.000) 0.000 7.877 ( 0.000 0.000 0.000) 0.000 7.885 ( 0.000 0.000 0.000) 0.000 7.907 ( -0.000 0.000 -0.000) 0.000 8.110 ( 0.000 0.000 -0.000) 0.000 8.205 ( 0.000 0.000 0.000) 0.000 8.404 ( -0.881 0.000 -0.842) 1.219 8.405 ( 0.881 0.000 0.842) 1.219 8.609 ( 0.000 0.000 0.000) 0.000 8.656 ( 0.000 0.000 -0.000) 0.000 8.662 ( 0.000 0.000 0.000) 0.000 8.786 ( 0.000 0.000 0.000) 0.000 8.957 ( 0.000 0.000 0.000) 0.000 9.016 ( -0.000 0.000 -0.000) 0.000 9.166 ( 0.000 0.000 0.000) 0.000 9.263 ( 0.000 0.000 0.000) 0.000 9.265 ( 0.000 0.000 -0.000) 0.000 9.303 ( 0.000 0.000 0.000) 0.000 10.255 ( 0.000 0.000 0.000) 0.000 10.359 ( 0.000 0.000 0.000) 0.000 10.368 ( 0.000 0.000 0.000) 0.000 10.423 ( -0.000 0.000 0.000) 0.000 10.543 ( 0.000 0.000 0.000) 0.000 10.574 ( 0.000 0.000 0.000) 0.000 10.642 ( 0.000 0.000 0.000) 0.000 10.679 ( 0.000 0.000 0.000) 0.000 10.883 ( 0.000 0.000 0.000) 0.000 10.933 ( 0.000 0.000 -0.000) 0.000 11.148 ( 0.000 0.000 0.000) 0.000 11.163 ( 0.000 0.000 0.000) 0.000 11.559 ( 0.000 0.000 0.000) 0.000 11.589 ( 0.000 0.000 -0.000) 0.000 11.606 ( -0.000 0.000 -0.000) 0.000 11.683 ( 0.000 0.000 0.000) 0.000 11.793 ( 0.000 0.000 0.000) 0.000 11.845 ( 0.000 0.000 -0.000) 0.000 12.028 ( 0.000 0.000 0.000) 0.000 12.105 ( 0.000 0.000 0.000) 0.000 12.168 ( 0.000 0.000 0.000) 0.000 12.188 ( 0.000 0.000 0.000) 0.000 12.216 ( -0.000 0.000 -0.000) 0.000 12.234 ( 0.000 0.000 0.000) 0.000 12.322 ( 0.000 0.000 0.000) 0.000 12.407 ( 0.000 0.000 0.000) 0.000 12.522 ( 0.000 0.000 -0.000) 0.000 12.585 ( 0.000 0.000 0.000) 0.000 15.852 ( 0.000 0.000 0.000) 0.000 15.914 ( 0.000 0.000 0.000) 0.000 15.965 ( 0.000 0.000 0.000) 0.000 16.027 ( 0.000 0.000 -0.000) 0.000 16.372 ( 0.000 0.000 0.000) 0.000 16.409 ( 0.000 0.000 0.000) 0.000 16.578 ( 0.000 0.000 -0.000) 0.000 16.587 ( 0.000 0.000 0.000) 0.000 16.892 ( 0.000 0.000 0.000) 0.000 16.917 ( 0.000 0.000 0.000) 0.000 16.943 ( 0.000 0.000 0.000) 0.000 16.957 ( 0.000 0.000 -0.000) 0.000 16.969 ( 0.000 0.000 -0.000) 0.000 16.982 ( 0.000 0.000 0.000) 0.000 17.090 ( 0.000 0.000 0.000) 0.000 17.104 ( -0.000 0.000 0.000) 0.000 17.195 ( 0.000 0.000 0.000) 0.000 17.215 ( 0.000 0.000 -0.000) 0.000 17.242 ( 0.000 0.000 0.000) 0.000 17.274 ( 0.000 0.000 0.000) 0.000 17.530 ( 0.000 0.000 0.000) 0.000 17.543 ( -0.000 0.000 -0.000) 0.000 17.548 ( 0.000 0.000 -0.000) 0.000 17.562 ( 0.000 0.000 0.000) 0.000 17.962 ( 0.000 0.000 0.000) 0.000 17.971 ( -0.000 0.000 -0.000) 0.000 18.241 ( -0.000 0.000 0.000) 0.000 18.242 ( 0.000 0.000 -0.000) 0.000 23.359 ( 0.000 0.000 0.000) 0.000 23.388 ( -0.000 0.000 0.000) 0.000 24.558 ( -0.000 0.000 0.000) 0.000 24.560 ( 0.000 0.000 -0.000) 0.000 28.479 ( 0.000 0.000 0.000) 0.000 28.529 ( 0.000 0.000 0.000) 0.000 28.558 ( 0.000 0.000 0.000) 0.000 28.596 ( 0.000 0.000 -0.000) 0.000 28.813 ( 0.000 0.000 0.000) 0.000 28.840 ( 0.000 0.000 0.000) 0.000 29.151 ( 0.000 0.000 0.000) 0.000 29.153 ( -0.000 0.000 -0.000) 0.000 29.947 ( 0.000 0.000 0.000) 0.000 29.950 ( 0.000 0.000 0.000) 0.000 29.968 ( 0.000 0.000 -0.000) 0.000 29.993 ( 0.000 0.000 -0.000) 0.000 30.040 ( 0.000 0.000 0.000) 0.000 30.056 ( 0.000 0.000 0.000) 0.000 30.057 ( 0.000 0.000 0.000) 0.000 30.073 ( 0.000 0.000 -0.000) 0.000 31.616 ( 0.000 0.000 0.000) 0.000 31.635 ( -0.000 0.000 -0.000) 0.000 31.693 ( 0.000 0.000 0.000) 0.000 31.715 ( 0.000 0.000 0.000) 0.000 32.015 ( 0.000 0.000 0.000) 0.000 32.027 ( 0.000 0.000 -0.000) 0.000 32.277 ( 0.000 0.000 0.000) 0.000 32.294 ( -0.000 0.000 -0.000) 0.000 32.946 ( 0.000 0.000 0.000) 0.000 32.974 ( 0.000 0.000 0.000) 0.000 33.663 ( 0.000 0.000 0.000) 0.000 33.704 ( 0.000 0.000 -0.000) 0.000 35.503 ( 0.000 0.000 0.000) 0.000 35.509 ( -0.000 0.000 -0.000) 0.000 35.686 ( 0.000 0.000 -0.000) 0.000 35.757 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 5 (4/50) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 0.721 ( 0.000 33.507 0.000) 33.507 0.935 ( 0.000 46.038 0.000) 46.038 1.053 ( 0.000 52.855 0.000) 52.855 1.538 ( 0.000 1.697 0.000) 1.697 1.829 ( 0.000 4.444 0.000) 4.444 1.941 ( 0.000 -14.453 0.000) 14.453 1.954 ( 0.000 2.638 0.000) 2.638 2.270 ( 0.000 3.227 0.000) 3.227 2.273 ( 0.000 30.219 0.000) 30.219 2.275 ( 0.000 -4.509 0.000) 4.509 2.426 ( 0.000 18.418 0.000) 18.418 2.539 ( 0.000 21.853 0.000) 21.853 2.897 ( 0.000 28.409 0.000) 28.409 3.081 ( 0.000 -1.585 0.000) 1.585 3.094 ( 0.000 16.223 0.000) 16.223 3.147 ( 0.000 27.410 0.000) 27.410 3.338 ( 0.000 2.955 0.000) 2.955 3.621 ( 0.000 14.866 0.000) 14.866 3.698 ( 0.000 14.833 0.000) 14.833 3.960 ( 0.000 8.598 0.000) 8.598 4.021 ( 0.000 17.162 0.000) 17.162 4.065 ( 0.000 -3.819 0.000) 3.819 4.079 ( 0.000 10.075 0.000) 10.075 4.137 ( 0.000 17.941 0.000) 17.941 4.196 ( 0.000 19.504 0.000) 19.504 4.221 ( 0.000 12.168 0.000) 12.168 4.335 ( 0.000 14.754 0.000) 14.754 4.674 ( 0.000 3.182 0.000) 3.182 4.880 ( 0.000 5.165 0.000) 5.165 5.035 ( 0.000 -10.504 0.000) 10.504 5.173 ( 0.000 -1.631 0.000) 1.631 5.216 ( 0.000 16.735 0.000) 16.735 5.254 ( 0.000 20.715 0.000) 20.715 5.265 ( 0.000 -34.938 0.000) 34.938 5.397 ( 0.000 17.561 0.000) 17.561 5.505 ( 0.000 33.851 0.000) 33.851 5.682 ( 0.000 14.479 0.000) 14.479 5.748 ( 0.000 -13.484 0.000) 13.484 5.901 ( 0.000 25.619 0.000) 25.619 6.054 ( 0.000 -2.337 0.000) 2.337 6.072 ( 0.000 3.254 0.000) 3.254 6.126 ( 0.000 7.302 0.000) 7.302 6.131 ( 0.000 -15.075 0.000) 15.075 6.334 ( 0.000 2.408 0.000) 2.408 6.673 ( 0.000 16.400 0.000) 16.400 6.784 ( 0.000 10.976 0.000) 10.976 6.881 ( 0.000 -3.334 0.000) 3.334 6.923 ( 0.000 13.766 0.000) 13.766 6.936 ( 0.000 4.948 0.000) 4.948 7.114 ( 0.000 11.696 0.000) 11.696 7.126 ( 0.000 -10.987 0.000) 10.987 7.158 ( 0.000 9.044 0.000) 9.044 7.286 ( 0.000 -4.662 0.000) 4.662 7.394 ( 0.000 2.549 0.000) 2.549 7.481 ( 0.000 -10.070 0.000) 10.070 7.741 ( 0.000 -5.856 0.000) 5.856 7.745 ( 0.000 -16.100 0.000) 16.100 7.839 ( 0.000 -10.241 0.000) 10.241 8.078 ( 0.000 -2.737 0.000) 2.737 8.083 ( 0.000 -1.881 0.000) 1.881 8.092 ( 0.000 -2.033 0.000) 2.033 8.194 ( 0.000 5.622 0.000) 5.622 8.297 ( 0.000 -0.016 0.000) 0.016 8.302 ( 0.000 -0.820 0.000) 0.820 8.385 ( 0.000 -2.412 0.000) 2.412 8.492 ( 0.000 5.887 0.000) 5.887 8.583 ( 0.000 -5.574 0.000) 5.574 8.645 ( 0.000 6.699 0.000) 6.699 8.685 ( 0.000 8.296 0.000) 8.296 8.726 ( 0.000 9.289 0.000) 9.289 8.736 ( 0.000 -14.531 0.000) 14.531 8.809 ( 0.000 -4.307 0.000) 4.307 8.908 ( 0.000 -9.707 0.000) 9.707 9.307 ( 0.000 5.099 0.000) 5.099 9.395 ( 0.000 7.574 0.000) 7.574 9.635 ( 0.000 -9.971 0.000) 9.971 9.756 ( 0.000 -4.675 0.000) 4.675 9.768 ( 0.000 -22.419 0.000) 22.419 9.848 ( 0.000 -3.531 0.000) 3.531 10.367 ( 0.000 -0.445 0.000) 0.445 10.485 ( 0.000 10.032 0.000) 10.032 10.569 ( 0.000 1.094 0.000) 1.094 10.618 ( 0.000 -4.012 0.000) 4.012 10.633 ( 0.000 2.190 0.000) 2.190 10.802 ( 0.000 -1.181 0.000) 1.181 10.833 ( 0.000 -1.107 0.000) 1.107 10.954 ( 0.000 1.199 0.000) 1.199 11.074 ( 0.000 -7.397 0.000) 7.397 11.264 ( 0.000 0.781 0.000) 0.781 11.326 ( 0.000 2.233 0.000) 2.233 11.550 ( 0.000 1.492 0.000) 1.492 11.747 ( 0.000 -16.146 0.000) 16.146 11.765 ( 0.000 4.273 0.000) 4.273 11.770 ( 0.000 -13.108 0.000) 13.108 11.866 ( 0.000 1.564 0.000) 1.564 11.941 ( 0.000 -5.727 0.000) 5.727 11.965 ( 0.000 0.408 0.000) 0.408 12.077 ( 0.000 -10.740 0.000) 10.740 12.138 ( 0.000 -5.669 0.000) 5.669 12.178 ( 0.000 -6.176 0.000) 6.176 12.325 ( 0.000 -0.967 0.000) 0.967 12.352 ( 0.000 -11.734 0.000) 11.734 12.386 ( 0.000 1.270 0.000) 1.270 12.545 ( 0.000 7.213 0.000) 7.213 16.205 ( 0.000 23.937 0.000) 23.937 16.286 ( 0.000 25.034 0.000) 25.034 16.420 ( 0.000 29.616 0.000) 29.616 16.659 ( 0.000 -7.646 0.000) 7.646 16.667 ( 0.000 2.312 0.000) 2.312 16.698 ( 0.000 -6.316 0.000) 6.316 16.711 ( 0.000 -8.002 0.000) 8.002 16.802 ( 0.000 0.043 0.000) 0.043 16.865 ( 0.000 11.965 0.000) 11.965 16.946 ( 0.000 3.209 0.000) 3.209 17.067 ( 0.000 4.808 0.000) 4.808 17.094 ( 0.000 3.869 0.000) 3.869 17.113 ( 0.000 12.051 0.000) 12.051 17.126 ( 0.000 2.088 0.000) 2.088 17.184 ( 0.000 5.728 0.000) 5.728 17.202 ( 0.000 8.611 0.000) 8.611 17.275 ( 0.000 11.850 0.000) 11.850 17.298 ( 0.000 1.791 0.000) 1.791 17.387 ( 0.000 14.037 0.000) 14.037 17.431 ( 0.000 1.330 0.000) 1.330 17.590 ( 0.000 6.271 0.000) 6.271 17.667 ( 0.000 6.182 0.000) 6.182 17.683 ( 0.000 8.617 0.000) 8.617 17.826 ( 0.000 0.523 0.000) 0.523 17.917 ( 0.000 -3.107 0.000) 3.107 17.972 ( 0.000 -2.697 0.000) 2.697 18.000 ( 0.000 -1.397 0.000) 1.397 21.550 ( 0.000 -1.123 0.000) 1.123 22.557 ( 0.000 -4.627 0.000) 4.627 23.110 ( 0.000 -17.414 0.000) 17.414 24.151 ( 0.000 -28.391 0.000) 28.391 24.165 ( 0.000 -27.860 0.000) 27.860 28.276 ( 0.000 -0.227 0.000) 0.227 28.290 ( 0.000 -0.355 0.000) 0.355 28.509 ( 0.000 0.414 0.000) 0.414 28.561 ( 0.000 0.657 0.000) 0.657 28.584 ( 0.000 -1.156 0.000) 1.156 28.843 ( 0.000 0.165 0.000) 0.165 28.854 ( 0.000 0.051 0.000) 0.051 29.125 ( 0.000 -0.300 0.000) 0.300 29.303 ( 0.000 1.335 0.000) 1.335 29.689 ( 0.000 -25.254 0.000) 25.254 29.718 ( 0.000 -25.249 0.000) 25.249 29.903 ( 0.000 -8.686 0.000) 8.686 29.997 ( 0.000 4.055 0.000) 4.055 30.016 ( 0.000 -4.754 0.000) 4.754 30.022 ( 0.000 0.930 0.000) 0.930 30.063 ( 0.000 2.852 0.000) 2.852 31.556 ( 0.000 1.611 0.000) 1.611 31.749 ( 0.000 -0.540 0.000) 0.540 31.773 ( 0.000 -0.429 0.000) 0.429 31.838 ( 0.000 -0.242 0.000) 0.242 31.871 ( 0.000 7.069 0.000) 7.069 31.892 ( 0.000 7.933 0.000) 7.933 31.989 ( 0.000 -0.651 0.000) 0.651 32.447 ( 0.000 -4.314 0.000) 4.314 33.284 ( 0.000 27.497 0.000) 27.497 33.317 ( 0.000 27.228 0.000) 27.228 34.007 ( 0.000 17.650 0.000) 17.650 34.496 ( 0.000 5.326 0.000) 5.326 34.511 ( 0.000 1.274 0.000) 1.274 35.318 ( 0.000 -11.026 0.000) 11.026 35.669 ( 0.000 -16.563 0.000) 16.563 35.740 ( 0.000 -17.021 0.000) 17.021 ======================= Grid point 6 (5/50) ======================= q-point: ( 0.25 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( 12.388 26.519 7.383) 30.186 1.193 ( 19.547 29.116 6.293) 35.629 1.486 ( 4.151 -1.744 4.610) 6.444 1.634 ( 21.748 -5.556 17.340) 28.364 1.912 ( 1.734 4.335 12.590) 13.428 2.012 ( 4.562 5.450 7.974) 10.682 2.028 ( 13.832 -3.452 -3.976) 14.800 2.194 ( -0.470 12.753 4.918) 13.676 2.372 ( 9.411 29.860 0.711) 31.315 2.449 ( 10.103 14.856 8.791) 20.002 2.562 ( -3.570 9.112 -14.778) 17.725 2.727 ( -8.637 6.424 2.575) 11.068 2.886 ( 12.289 14.223 11.347) 21.956 2.969 ( 6.216 15.621 -2.516) 16.999 3.069 ( 3.521 13.782 -8.107) 16.373 3.140 ( -2.257 19.377 -2.622) 19.684 3.243 ( -4.388 8.844 6.670) 11.914 3.414 ( -13.518 15.333 -10.528) 22.993 3.522 ( -15.973 9.280 -4.747) 19.073 3.599 ( -15.804 12.528 -11.101) 23.021 3.765 ( -12.917 17.032 0.684) 21.387 3.851 ( -4.227 17.274 -7.780) 19.412 3.952 ( -11.449 12.200 -7.668) 18.404 4.060 ( -2.553 21.797 0.836) 21.962 4.296 ( 1.158 0.555 -4.117) 4.313 4.417 ( -1.108 3.001 8.973) 9.526 4.588 ( -0.414 6.637 -4.605) 8.089 4.682 ( 16.784 1.942 8.347) 18.845 4.745 ( -10.842 -12.828 -10.769) 19.952 4.961 ( -8.550 0.880 2.031) 8.832 5.084 ( -3.647 -1.770 -6.633) 7.774 5.252 ( 3.900 14.614 2.232) 15.289 5.338 ( 9.018 7.424 3.513) 12.198 5.387 ( 10.740 17.400 2.865) 20.648 5.476 ( 1.526 29.405 -1.376) 29.477 5.548 ( 4.191 16.333 2.135) 16.997 5.608 ( 1.462 17.670 0.384) 17.734 5.773 ( -3.407 12.111 0.516) 12.591 5.828 ( -3.207 7.311 -6.659) 10.396 5.935 ( 0.771 14.364 -0.039) 14.385 5.997 ( -6.333 8.689 0.751) 10.778 6.243 ( -3.904 7.223 11.574) 14.191 6.309 ( 3.137 4.645 5.761) 8.037 6.479 ( -5.321 6.603 -12.864) 15.408 6.621 ( 5.948 6.194 4.912) 9.893 6.720 ( -10.840 9.461 0.146) 14.388 6.764 ( 3.727 4.319 -2.889) 6.394 6.852 ( -6.767 12.670 -8.347) 16.614 6.965 ( -0.589 -6.143 1.772) 6.421 7.033 ( -3.927 -1.269 -4.364) 6.006 7.155 ( 4.030 -6.517 -1.901) 7.895 7.263 ( -1.670 2.441 5.843) 6.549 7.312 ( 2.853 12.822 -5.799) 14.359 7.365 ( 1.598 -1.970 -0.619) 2.611 7.432 ( 8.861 4.074 2.533) 10.076 7.567 ( -4.969 10.075 -0.485) 11.244 7.596 ( -11.004 -1.834 2.287) 11.388 7.720 ( -5.207 -4.617 -7.945) 10.562 7.725 ( -11.298 -3.634 -3.335) 12.327 7.966 ( -3.322 -3.441 -3.837) 6.132 8.000 ( 1.906 -1.209 -7.743) 8.066 8.123 ( -7.531 2.465 7.874) 11.171 8.198 ( -2.323 7.393 -7.657) 10.894 8.257 ( -0.607 3.273 -0.394) 3.352 8.379 ( 1.843 -7.517 0.105) 7.740 8.469 ( -3.023 0.326 0.704) 3.121 8.605 ( 7.375 1.593 -1.781) 7.752 8.642 ( 0.605 2.521 5.615) 6.185 8.681 ( 0.106 0.007 6.201) 6.202 8.812 ( -4.759 5.042 4.942) 8.514 8.911 ( 6.194 -0.498 10.690) 12.365 8.936 ( 7.841 3.961 -3.126) 9.324 9.091 ( 8.600 -1.288 -2.178) 8.965 9.138 ( 4.226 -0.495 -0.508) 4.285 9.251 ( -15.592 -9.784 -4.931) 19.057 9.327 ( -0.233 -2.435 -6.666) 7.101 9.897 ( 3.123 -11.597 11.408) 16.565 9.954 ( 8.853 -10.436 -0.292) 13.688 10.319 ( 3.774 -18.740 2.261) 19.249 10.482 ( -2.077 0.725 6.572) 6.931 10.530 ( 3.490 -3.389 -0.150) 4.867 10.560 ( -2.115 -2.778 -4.368) 5.592 10.644 ( 5.722 -1.040 -6.077) 8.411 10.691 ( 1.572 -11.754 7.923) 14.262 10.726 ( -1.567 0.944 0.587) 1.921 10.835 ( 0.464 -0.774 -3.519) 3.633 11.030 ( 5.517 -5.430 -2.601) 8.166 11.103 ( -0.658 -4.943 5.270) 7.255 11.342 ( 3.957 -0.761 2.013) 4.504 11.492 ( 5.834 -11.184 3.188) 13.011 11.634 ( 2.687 -0.518 4.741) 5.474 11.742 ( 1.096 -7.195 -2.491) 7.692 11.797 ( 1.617 -11.744 2.329) 12.081 11.832 ( 0.123 1.963 -1.163) 2.285 11.880 ( 5.364 -4.205 3.831) 7.819 11.933 ( 0.571 -3.184 -0.152) 3.238 11.954 ( 0.367 -10.973 0.854) 11.013 12.098 ( 0.412 -10.411 1.388) 10.511 12.107 ( -0.862 -2.891 -1.490) 3.365 12.272 ( -4.628 -9.551 -2.667) 10.943 12.311 ( 7.178 -6.872 4.615) 10.956 12.317 ( 0.930 -1.737 0.149) 1.975 12.393 ( 0.767 0.398 0.355) 0.934 12.551 ( 0.344 6.259 0.747) 6.313 16.157 ( -6.601 13.817 -3.701) 15.754 16.209 ( -8.813 17.622 -3.562) 20.022 16.240 ( -3.923 14.383 -7.788) 16.820 16.391 ( -11.754 4.567 -2.975) 12.956 16.568 ( -7.476 4.670 -2.028) 9.045 16.609 ( -5.274 6.520 -6.252) 10.460 16.721 ( -0.304 4.723 -1.533) 4.975 16.856 ( -1.164 3.988 0.902) 4.251 16.858 ( 0.428 4.910 -3.741) 6.187 16.934 ( -2.425 1.330 2.470) 3.709 17.059 ( -1.763 5.290 0.822) 5.637 17.083 ( 0.254 7.280 -0.912) 7.341 17.104 ( 0.383 5.635 1.728) 5.906 17.136 ( 2.740 0.042 2.082) 3.441 17.148 ( -2.321 9.747 -2.549) 10.338 17.240 ( -2.114 9.709 0.019) 9.937 17.286 ( 2.727 6.422 2.190) 7.312 17.296 ( 0.877 2.935 0.424) 3.093 17.357 ( 0.798 13.868 -2.107) 14.050 17.497 ( 1.477 19.075 1.049) 19.160 17.591 ( 0.068 7.906 0.910) 7.959 17.630 ( 0.433 6.455 -1.710) 6.691 17.742 ( -5.137 2.107 -2.954) 6.289 17.770 ( 7.754 -0.941 6.991) 10.482 17.918 ( -4.058 4.922 -2.674) 6.917 18.103 ( 7.561 -0.396 -2.393) 7.940 18.126 ( 5.104 -1.340 7.958) 9.548 18.884 ( -74.677 101.568 -43.701) 133.426 23.120 ( 6.152 -17.354 -8.137) 20.131 23.186 ( -0.526 -24.073 10.702) 26.349 24.190 ( -6.023 -29.198 15.778) 33.730 24.200 ( 10.591 -28.823 -13.175) 33.415 28.381 ( 6.877 -1.540 3.780) 7.997 28.493 ( -0.245 1.100 -0.323) 1.172 28.541 ( -0.486 0.818 -0.219) 0.976 28.605 ( 0.548 -0.822 1.097) 1.477 28.834 ( -0.602 -0.082 -1.296) 1.432 28.850 ( -0.994 -0.850 0.673) 1.471 29.068 ( 12.710 -20.250 6.531) 24.784 29.115 ( -0.560 -0.793 -0.508) 1.096 29.441 ( 16.104 -13.828 9.773) 23.368 29.738 ( 2.163 -22.041 3.215) 22.379 29.768 ( 3.950 -21.969 0.167) 22.322 29.875 ( -2.293 -9.996 -1.108) 10.316 29.999 ( -0.244 3.209 0.727) 3.300 30.014 ( 0.246 -2.210 -0.920) 2.407 30.023 ( 0.061 -1.466 0.079) 1.469 30.057 ( -0.591 2.382 -0.094) 2.456 31.574 ( 1.326 1.408 0.949) 2.155 31.717 ( -3.246 0.651 -1.430) 3.606 31.729 ( -2.176 -0.146 0.781) 2.316 31.744 ( -0.819 0.353 -4.214) 4.307 31.971 ( 7.391 3.897 -2.977) 8.870 31.972 ( 0.853 3.003 8.654) 9.200 32.112 ( 7.069 -0.586 4.041) 8.163 32.420 ( -2.962 -3.079 -1.743) 4.614 33.284 ( -0.818 28.197 1.761) 28.264 33.313 ( 0.877 28.019 -1.708) 28.085 33.961 ( 6.363 22.178 -24.645) 33.760 33.992 ( -17.576 19.891 19.679) 33.043 35.125 ( 13.529 -21.669 7.637) 26.663 35.322 ( 0.064 -12.416 -0.000) 12.416 35.591 ( -4.661 -16.299 -3.445) 17.299 35.658 ( -5.551 -16.779 -2.468) 17.845 ======================= Grid point 7 (6/50) ======================= q-point: (-0.50 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( 0.000 4.194 0.000) 4.194 1.487 ( 0.000 5.991 0.000) 5.991 1.664 ( 0.000 -11.019 0.000) 11.019 1.754 ( 0.000 7.707 -0.000) 7.707 1.949 ( 0.000 -10.114 0.000) 10.114 2.039 ( 0.000 23.562 0.000) 23.562 2.248 ( -0.000 6.166 0.000) 6.166 2.253 ( 0.000 19.988 -0.000) 19.988 2.518 ( -0.000 1.541 0.000) 1.541 2.569 ( 0.000 21.354 -0.000) 21.354 2.712 ( -0.000 20.731 0.000) 20.731 2.826 ( 0.000 22.491 0.000) 22.491 2.864 ( -0.000 20.454 0.000) 20.454 2.915 ( 0.000 3.086 -0.000) 3.086 3.036 ( 0.000 10.914 0.000) 10.914 3.052 ( -0.000 7.144 0.000) 7.144 3.156 ( 0.000 3.009 -0.000) 3.009 3.199 ( 0.000 8.646 0.000) 8.646 3.378 ( 0.000 4.976 0.000) 4.976 3.505 ( 0.000 0.070 0.000) 0.070 3.693 ( 0.000 16.944 0.000) 16.944 3.706 ( 0.000 11.446 0.000) 11.446 3.921 ( 0.000 19.060 0.000) 19.060 4.017 ( 0.000 18.070 0.000) 18.070 4.188 ( 0.000 19.447 0.000) 19.447 4.374 ( 0.000 15.242 0.000) 15.242 4.385 ( 0.000 1.565 -0.000) 1.565 4.514 ( 0.000 4.579 0.000) 4.579 4.924 ( 0.000 -3.780 0.000) 3.780 4.978 ( 0.000 0.230 -0.000) 0.230 5.126 ( 0.000 -3.992 0.000) 3.992 5.306 ( 0.000 9.141 0.000) 9.141 5.443 ( 0.000 1.982 0.000) 1.982 5.463 ( 0.000 8.284 0.000) 8.284 5.516 ( 0.000 40.426 0.000) 40.426 5.541 ( 0.000 27.055 0.000) 27.055 5.652 ( 0.000 19.836 0.000) 19.836 5.660 ( -0.000 30.171 -0.000) 30.171 5.836 ( -0.000 17.161 -0.000) 17.161 5.885 ( 0.000 23.769 0.000) 23.769 6.136 ( -0.000 5.300 -0.000) 5.300 6.207 ( 0.000 2.718 0.000) 2.718 6.264 ( 0.000 22.635 0.000) 22.635 6.353 ( 0.000 19.575 0.000) 19.575 6.493 ( -0.000 5.288 -0.000) 5.288 6.505 ( 0.000 5.788 0.000) 5.788 6.727 ( 0.000 10.870 0.000) 10.870 6.906 ( 0.000 5.608 0.000) 5.608 6.998 ( 0.000 -8.425 0.000) 8.425 7.044 ( 0.000 -10.332 0.000) 10.332 7.235 ( 0.000 -11.243 0.000) 11.243 7.316 ( 0.000 -5.792 0.000) 5.792 7.354 ( 0.000 -6.840 0.000) 6.840 7.419 ( 0.000 -4.277 -0.000) 4.277 7.462 ( 0.000 -13.804 0.000) 13.804 7.482 ( 0.000 1.640 0.000) 1.640 7.723 ( 0.000 3.113 0.000) 3.113 7.757 ( 0.000 9.483 -0.000) 9.483 7.788 ( 0.000 -3.364 0.000) 3.364 7.840 ( -0.000 5.197 -0.000) 5.197 7.954 ( 0.000 6.642 0.000) 6.642 7.968 ( 0.000 7.648 0.000) 7.648 8.080 ( 0.000 -7.064 0.000) 7.064 8.109 ( -0.000 -1.283 -0.000) 1.283 8.386 ( -0.000 -1.694 -0.000) 1.694 8.391 ( 0.000 2.211 0.000) 2.211 8.655 ( 0.000 2.015 0.000) 2.015 8.673 ( 0.000 0.800 0.000) 0.800 8.773 ( 0.000 6.353 -0.000) 6.353 8.790 ( 0.000 0.003 0.000) 0.003 8.911 ( -0.000 -1.703 0.000) 1.703 9.040 ( 0.000 2.355 -0.000) 2.355 9.130 ( 0.000 -0.868 0.000) 0.868 9.189 ( 0.000 -6.810 0.000) 6.810 9.231 ( 0.000 -5.561 0.000) 5.561 9.269 ( 0.000 1.684 -0.000) 1.684 10.016 ( -0.000 -16.481 0.000) 16.481 10.030 ( 0.000 -13.424 -0.000) 13.424 10.389 ( 0.000 -7.250 0.000) 7.250 10.412 ( -0.000 -8.137 0.000) 8.137 10.499 ( 0.000 -4.934 0.000) 4.934 10.567 ( 0.000 -6.354 -0.000) 6.354 10.677 ( 0.000 1.581 0.000) 1.581 10.736 ( 0.000 -0.833 0.000) 0.833 10.780 ( 0.000 -10.915 0.000) 10.915 10.803 ( 0.000 -4.688 0.000) 4.688 11.108 ( 0.000 -2.127 0.000) 2.127 11.125 ( -0.000 -3.034 0.000) 3.034 11.420 ( 0.000 -5.552 0.000) 5.552 11.495 ( 0.000 -4.599 0.000) 4.599 11.701 ( 0.000 1.346 -0.000) 1.346 11.711 ( 0.000 -3.552 0.000) 3.552 11.840 ( 0.000 1.853 0.000) 1.853 11.843 ( 0.000 -6.233 -0.000) 6.233 11.860 ( 0.000 -3.059 0.000) 3.059 11.952 ( 0.000 -15.214 0.000) 15.214 12.008 ( 0.000 -3.216 0.000) 3.216 12.108 ( 0.000 -16.191 0.000) 16.191 12.145 ( -0.000 -5.335 -0.000) 5.335 12.153 ( 0.000 -8.061 0.000) 8.061 12.302 ( 0.000 0.550 0.000) 0.550 12.386 ( 0.000 0.017 0.000) 0.017 12.493 ( 0.000 -1.127 0.000) 1.127 12.565 ( -0.000 -0.277 0.000) 0.277 16.011 ( -0.000 6.819 0.000) 6.819 16.014 ( 0.000 3.449 -0.000) 3.449 16.192 ( 0.000 11.236 0.000) 11.236 16.286 ( 0.000 5.155 0.000) 5.155 16.475 ( 0.000 17.000 0.000) 17.000 16.490 ( 0.000 16.726 0.000) 16.726 16.710 ( 0.000 6.090 0.000) 6.090 16.786 ( 0.000 7.342 0.000) 7.342 16.852 ( 0.000 4.953 0.000) 4.953 16.931 ( 0.000 4.072 0.000) 4.072 17.050 ( 0.000 5.869 0.000) 5.869 17.084 ( 0.000 9.679 -0.000) 9.679 17.086 ( 0.000 9.709 0.000) 9.709 17.114 ( 0.000 4.359 0.000) 4.359 17.211 ( 0.000 5.534 0.000) 5.534 17.237 ( -0.000 2.031 -0.000) 2.031 17.250 ( 0.000 7.247 0.000) 7.247 17.270 ( -0.000 8.351 -0.000) 8.351 17.527 ( 0.000 9.783 -0.000) 9.783 17.555 ( 0.000 5.644 0.000) 5.644 17.575 ( -0.000 21.226 -0.000) 21.226 17.631 ( 0.000 19.075 -0.000) 19.075 17.645 ( 0.000 24.614 -0.000) 24.614 17.680 ( 0.000 19.358 0.000) 19.358 18.003 ( 0.000 9.133 0.000) 9.133 18.009 ( -0.000 9.143 -0.000) 9.143 18.241 ( 0.000 1.769 0.000) 1.769 18.257 ( 0.000 5.082 0.000) 5.082 23.156 ( 0.000 -17.859 0.000) 17.859 23.175 ( -0.000 -18.776 0.000) 18.776 24.231 ( -0.000 -30.097 0.000) 30.097 24.233 ( 0.000 -29.839 -0.000) 29.839 28.494 ( 0.000 1.589 0.000) 1.589 28.522 ( 0.000 -0.474 0.000) 0.474 28.539 ( 0.000 -1.435 0.000) 1.435 28.597 ( 0.000 0.480 -0.000) 0.480 28.811 ( 0.000 0.011 0.000) 0.011 28.829 ( 0.000 -0.744 0.000) 0.744 29.112 ( 0.000 -3.402 0.000) 3.402 29.116 ( 0.000 -2.883 0.000) 2.883 29.741 ( 0.000 -17.419 0.000) 17.419 29.767 ( 0.000 -13.795 0.000) 13.795 29.810 ( -0.000 -17.403 0.000) 17.403 29.815 ( 0.000 -18.601 -0.000) 18.601 30.003 ( 0.000 2.980 0.000) 2.980 30.007 ( 0.000 -1.855 -0.000) 1.855 30.026 ( 0.000 -2.569 0.000) 2.569 30.047 ( 0.000 1.953 0.000) 1.953 31.626 ( 0.000 0.847 0.000) 0.847 31.629 ( -0.000 0.583 -0.000) 0.583 31.723 ( -0.000 0.261 0.000) 0.261 31.723 ( 0.000 -0.458 -0.000) 0.458 32.032 ( -0.000 0.826 0.000) 0.826 32.038 ( 0.000 0.420 -0.000) 0.420 32.291 ( 0.000 -0.334 0.000) 0.334 32.293 ( -0.000 -1.186 -0.000) 1.186 33.290 ( 0.000 28.875 0.000) 28.875 33.315 ( 0.000 28.793 0.000) 28.793 33.907 ( 0.000 20.014 0.000) 20.014 33.938 ( 0.000 19.214 0.000) 19.214 35.289 ( -0.000 -16.616 -0.000) 16.616 35.305 ( 0.000 -16.079 0.000) 16.079 35.509 ( 0.000 -15.939 -0.000) 15.939 35.571 ( 0.000 -16.517 0.000) 16.517 ======================= Grid point 10 (7/50) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 1.274 ( 0.000 14.529 0.000) 14.529 1.493 ( 0.000 -4.148 0.000) 4.148 1.715 ( 0.000 4.020 0.000) 4.020 1.784 ( 0.000 15.293 0.000) 15.293 1.901 ( 0.000 39.205 0.000) 39.205 1.987 ( 0.000 14.014 0.000) 14.014 2.250 ( 0.000 35.973 0.000) 35.973 2.251 ( 0.000 -1.286 0.000) 1.286 2.356 ( 0.000 7.374 0.000) 7.374 2.703 ( 0.000 17.206 0.000) 17.206 2.918 ( 0.000 14.017 0.000) 14.017 3.017 ( 0.000 -3.617 0.000) 3.617 3.092 ( 0.000 22.680 0.000) 22.680 3.218 ( 0.000 0.567 0.000) 0.567 3.464 ( 0.000 20.869 0.000) 20.869 3.535 ( 0.000 11.743 0.000) 11.743 3.661 ( 0.000 17.074 0.000) 17.074 3.798 ( 0.000 -10.995 0.000) 10.995 3.857 ( 0.000 -2.293 0.000) 2.293 4.040 ( 0.000 18.231 0.000) 18.231 4.129 ( 0.000 18.158 0.000) 18.158 4.348 ( 0.000 -13.713 0.000) 13.713 4.448 ( 0.000 -14.379 0.000) 14.379 4.530 ( 0.000 18.255 0.000) 18.255 4.565 ( 0.000 14.836 0.000) 14.836 4.592 ( 0.000 -0.031 0.000) 0.031 4.649 ( 0.000 12.095 0.000) 12.095 4.655 ( 0.000 13.402 0.000) 13.402 4.723 ( 0.000 0.782 0.000) 0.782 4.932 ( 0.000 20.783 0.000) 20.783 4.961 ( 0.000 -8.329 0.000) 8.329 4.986 ( 0.000 11.091 0.000) 11.091 5.401 ( 0.000 7.150 0.000) 7.150 5.458 ( 0.000 -1.430 0.000) 1.430 5.638 ( 0.000 14.982 0.000) 14.982 5.696 ( 0.000 6.939 0.000) 6.939 5.861 ( 0.000 10.586 0.000) 10.586 5.943 ( 0.000 -0.962 0.000) 0.962 6.171 ( 0.000 14.886 0.000) 14.886 6.184 ( 0.000 4.177 0.000) 4.177 6.350 ( 0.000 27.774 0.000) 27.774 6.401 ( 0.000 3.544 0.000) 3.544 6.460 ( 0.000 24.592 0.000) 24.592 6.479 ( 0.000 -20.426 0.000) 20.426 6.614 ( 0.000 28.281 0.000) 28.281 6.873 ( 0.000 4.680 0.000) 4.680 7.000 ( 0.000 -1.720 0.000) 1.720 7.020 ( 0.000 -3.766 0.000) 3.766 7.036 ( 0.000 6.810 0.000) 6.810 7.158 ( 0.000 -12.064 0.000) 12.064 7.189 ( 0.000 -6.775 0.000) 6.775 7.219 ( 0.000 10.181 0.000) 10.181 7.289 ( 0.000 0.848 0.000) 0.848 7.432 ( 0.000 11.823 0.000) 11.823 7.523 ( 0.000 -0.254 0.000) 0.254 7.564 ( 0.000 -3.624 0.000) 3.624 7.601 ( 0.000 0.594 0.000) 0.594 7.707 ( 0.000 -1.109 0.000) 1.109 7.932 ( 0.000 1.340 0.000) 1.340 7.996 ( 0.000 -5.799 0.000) 5.799 8.070 ( 0.000 -1.908 0.000) 1.908 8.253 ( 0.000 -3.448 0.000) 3.448 8.273 ( 0.000 -0.183 0.000) 0.183 8.341 ( 0.000 -1.592 0.000) 1.592 8.458 ( 0.000 16.340 0.000) 16.340 8.525 ( 0.000 -1.025 0.000) 1.025 8.577 ( 0.000 -7.292 0.000) 7.292 8.657 ( 0.000 3.435 0.000) 3.435 8.671 ( 0.000 0.657 0.000) 0.657 8.780 ( 0.000 1.100 0.000) 1.100 8.786 ( 0.000 6.790 0.000) 6.790 8.886 ( 0.000 8.720 0.000) 8.720 8.991 ( 0.000 14.602 0.000) 14.602 9.233 ( 0.000 -5.079 0.000) 5.079 9.275 ( 0.000 -19.882 0.000) 19.882 9.448 ( 0.000 -5.781 0.000) 5.781 9.457 ( 0.000 -2.071 0.000) 2.071 9.672 ( 0.000 -6.597 0.000) 6.597 9.855 ( 0.000 1.189 0.000) 1.189 10.315 ( 0.000 -13.670 0.000) 13.670 10.356 ( 0.000 -1.477 0.000) 1.477 10.598 ( 0.000 -0.861 0.000) 0.861 10.627 ( 0.000 -16.539 0.000) 16.539 10.671 ( 0.000 2.420 0.000) 2.420 10.752 ( 0.000 4.020 0.000) 4.020 10.821 ( 0.000 -13.291 0.000) 13.291 10.822 ( 0.000 -0.078 0.000) 0.078 10.845 ( 0.000 -14.677 0.000) 14.677 11.284 ( 0.000 0.946 0.000) 0.946 11.346 ( 0.000 -9.465 0.000) 9.465 11.385 ( 0.000 -5.600 0.000) 5.600 11.485 ( 0.000 0.621 0.000) 0.621 11.573 ( 0.000 0.688 0.000) 0.688 11.739 ( 0.000 -4.610 0.000) 4.610 11.827 ( 0.000 -5.002 0.000) 5.002 11.887 ( 0.000 -8.987 0.000) 8.987 11.892 ( 0.000 -3.977 0.000) 3.977 11.960 ( 0.000 -1.920 0.000) 1.920 12.106 ( 0.000 -9.378 0.000) 9.378 12.128 ( 0.000 2.869 0.000) 2.869 12.150 ( 0.000 3.430 0.000) 3.430 12.285 ( 0.000 -3.380 0.000) 3.380 12.380 ( 0.000 -2.689 0.000) 2.689 12.715 ( 0.000 6.245 0.000) 6.245 16.429 ( 0.000 -7.579 0.000) 7.579 16.494 ( 0.000 4.178 0.000) 4.178 16.532 ( 0.000 2.906 0.000) 2.906 16.653 ( 0.000 1.164 0.000) 1.164 16.672 ( 0.000 0.607 0.000) 0.607 16.685 ( 0.000 3.913 0.000) 3.913 16.827 ( 0.000 2.729 0.000) 2.729 16.925 ( 0.000 11.653 0.000) 11.653 17.028 ( 0.000 0.798 0.000) 0.798 17.095 ( 0.000 9.015 0.000) 9.015 17.148 ( 0.000 2.879 0.000) 2.879 17.165 ( 0.000 2.777 0.000) 2.777 17.290 ( 0.000 4.785 0.000) 4.785 17.317 ( 0.000 8.002 0.000) 8.002 17.330 ( 0.000 1.197 0.000) 1.197 17.338 ( 0.000 7.269 0.000) 7.269 17.445 ( 0.000 0.051 0.000) 0.051 17.454 ( 0.000 12.756 0.000) 12.756 17.632 ( 0.000 7.155 0.000) 7.155 17.688 ( 0.000 5.463 0.000) 5.463 17.812 ( 0.000 1.411 0.000) 1.411 17.848 ( 0.000 -3.234 0.000) 3.234 17.907 ( 0.000 -3.390 0.000) 3.390 17.952 ( 0.000 -3.159 0.000) 3.159 18.085 ( 0.000 46.161 0.000) 46.161 18.199 ( 0.000 52.372 0.000) 52.372 18.218 ( 0.000 52.480 0.000) 52.480 21.543 ( 0.000 1.035 0.000) 1.035 22.423 ( 0.000 -8.166 0.000) 8.166 22.643 ( 0.000 -26.455 0.000) 26.455 23.380 ( 0.000 -43.385 0.000) 43.385 23.406 ( 0.000 -42.844 0.000) 42.844 28.270 ( 0.000 -0.290 0.000) 0.290 28.281 ( 0.000 -0.372 0.000) 0.372 28.526 ( 0.000 1.282 0.000) 1.282 28.580 ( 0.000 1.311 0.000) 1.311 28.582 ( 0.000 1.377 0.000) 1.377 28.848 ( 0.000 0.416 0.000) 0.416 28.871 ( 0.000 1.126 0.000) 1.126 29.129 ( 0.000 0.801 0.000) 0.801 29.236 ( 0.000 -16.297 0.000) 16.297 29.274 ( 0.000 -15.287 0.000) 15.287 29.338 ( 0.000 1.946 0.000) 1.946 29.705 ( 0.000 -9.340 0.000) 9.340 29.896 ( 0.000 -6.337 0.000) 6.337 29.975 ( 0.000 -6.607 0.000) 6.607 30.063 ( 0.000 0.763 0.000) 0.763 30.110 ( 0.000 0.182 0.000) 0.182 31.605 ( 0.000 2.863 0.000) 2.863 31.735 ( 0.000 -0.687 0.000) 0.687 31.761 ( 0.000 -0.714 0.000) 0.714 31.828 ( 0.000 -0.707 0.000) 0.707 31.905 ( 0.000 -2.006 0.000) 2.006 31.956 ( 0.000 -1.448 0.000) 1.448 31.961 ( 0.000 -1.882 0.000) 1.882 32.319 ( 0.000 -7.803 0.000) 7.803 33.924 ( 0.000 30.025 0.000) 30.025 33.953 ( 0.000 29.856 0.000) 29.856 34.421 ( 0.000 19.819 0.000) 19.819 34.555 ( 0.000 3.039 0.000) 3.039 34.629 ( 0.000 6.757 0.000) 6.757 35.068 ( 0.000 -11.030 0.000) 11.030 35.262 ( 0.000 -20.086 0.000) 20.086 35.321 ( 0.000 -20.683 0.000) 20.683 ======================= Grid point 11 (8/50) ======================= q-point: ( 0.25 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( -2.196 0.400 -13.513) 13.696 1.397 ( -9.876 -2.911 0.013) 10.297 1.606 ( 17.615 8.957 10.384) 22.324 1.810 ( -1.412 7.592 6.731) 10.244 1.992 ( 1.382 21.421 2.212) 21.579 2.088 ( 16.033 14.629 6.270) 22.592 2.310 ( -4.127 2.478 -8.985) 10.194 2.458 ( 10.349 16.424 7.912) 20.963 2.554 ( 7.442 3.020 9.097) 12.135 2.779 ( -6.038 12.353 -5.161) 14.687 2.929 ( 9.174 16.012 -14.134) 23.245 2.996 ( -6.019 12.348 10.328) 17.186 3.114 ( 7.703 6.009 0.100) 9.770 3.287 ( 2.484 9.670 14.117) 17.291 3.338 ( -6.614 12.535 5.992) 15.388 3.411 ( -10.241 9.687 -9.555) 17.030 3.520 ( -9.325 10.895 -12.081) 18.751 3.637 ( -8.961 3.735 -2.130) 9.939 3.759 ( -17.179 2.389 -18.085) 25.058 3.838 ( -23.416 1.122 -3.353) 23.681 3.983 ( 0.297 8.576 -2.258) 8.874 4.072 ( -6.063 6.764 -14.178) 16.838 4.119 ( 4.723 -1.003 7.978) 9.325 4.517 ( 0.390 16.293 -2.274) 16.456 4.552 ( -2.901 19.968 5.601) 20.941 4.597 ( 5.428 16.748 5.033) 18.311 4.752 ( 9.730 9.643 -2.588) 13.942 4.773 ( 0.074 10.952 4.095) 11.693 4.862 ( 2.047 18.460 2.707) 18.770 4.967 ( 5.855 7.349 -3.882) 10.166 5.126 ( 1.743 9.792 -2.857) 10.348 5.276 ( 2.545 5.989 3.999) 7.638 5.479 ( 14.864 2.084 3.920) 15.513 5.508 ( 5.872 2.291 9.055) 11.033 5.775 ( 9.754 13.907 5.524) 17.862 5.879 ( 5.479 7.129 -1.255) 9.078 5.984 ( 8.825 4.993 3.236) 10.643 6.004 ( 0.400 13.914 -0.701) 13.937 6.157 ( -3.991 6.819 9.312) 12.212 6.247 ( 9.845 4.028 5.436) 11.946 6.280 ( -6.943 18.739 -0.834) 20.001 6.385 ( -4.401 9.152 7.746) 12.772 6.462 ( -6.043 12.468 -9.046) 16.546 6.481 ( -1.951 -11.898 -0.733) 12.079 6.683 ( -2.185 10.294 -4.415) 11.412 6.765 ( 12.066 3.895 4.852) 13.575 6.852 ( -2.301 1.609 -3.888) 4.796 6.961 ( -4.778 -0.769 0.189) 4.843 7.020 ( -3.174 5.424 -4.552) 7.760 7.072 ( -3.413 -2.193 -2.772) 4.913 7.204 ( 0.799 -6.449 4.196) 7.736 7.239 ( -0.482 10.992 -6.667) 12.865 7.260 ( -6.377 4.815 -6.259) 10.150 7.388 ( -3.419 -2.162 0.001) 4.046 7.426 ( -2.363 2.844 1.918) 4.166 7.475 ( -3.763 -4.199 -2.676) 6.241 7.646 ( 5.585 7.698 0.969) 9.560 7.771 ( 4.715 6.142 0.122) 7.744 7.933 ( -6.748 0.016 0.656) 6.780 7.961 ( -16.404 1.867 -1.106) 16.547 8.045 ( -1.115 2.086 -9.545) 9.834 8.123 ( -0.667 -0.288 3.369) 3.446 8.212 ( 9.643 -5.018 1.503) 10.974 8.334 ( 1.320 4.108 -5.139) 6.710 8.391 ( -2.916 8.359 3.167) 9.403 8.497 ( -2.704 3.205 8.435) 9.420 8.599 ( 4.645 -0.166 -4.033) 6.154 8.699 ( -4.705 2.009 -0.517) 5.142 8.743 ( -3.090 4.918 5.150) 7.763 8.864 ( 5.659 -8.488 -3.598) 10.817 8.897 ( 2.973 -1.546 4.969) 5.994 9.003 ( -4.761 2.058 -5.131) 7.296 9.103 ( 7.818 4.311 -0.038) 8.928 9.122 ( -0.287 6.872 5.464) 8.784 9.220 ( 6.858 0.837 -9.025) 11.366 9.322 ( 0.984 2.217 2.583) 3.543 9.668 ( 1.854 -9.309 9.792) 13.638 9.754 ( 6.066 -10.214 -0.108) 11.881 9.889 ( 1.851 -10.965 5.285) 12.312 10.299 ( -3.007 -14.078 -3.679) 14.858 10.368 ( -2.858 -8.513 -1.080) 9.045 10.453 ( -4.093 -8.370 0.133) 9.318 10.517 ( -3.951 -10.197 -6.744) 12.848 10.630 ( 0.717 -1.562 -1.562) 2.322 10.713 ( -1.953 -5.776 1.431) 6.263 10.811 ( -1.617 -2.713 -1.293) 3.413 10.955 ( 5.527 -4.043 4.342) 8.108 10.989 ( 7.662 -3.837 0.586) 8.589 11.327 ( 0.071 -2.955 -0.162) 2.961 11.364 ( 1.993 -2.815 1.036) 3.601 11.432 ( -0.646 -10.754 2.085) 10.974 11.468 ( 4.641 -8.009 4.575) 10.326 11.699 ( 5.902 0.199 2.647) 6.472 11.750 ( 1.311 -3.994 1.733) 4.547 11.806 ( -1.410 -5.170 -1.182) 5.488 11.858 ( -0.898 -5.260 0.185) 5.339 11.885 ( -0.133 -4.969 -1.283) 5.134 11.961 ( -0.363 -1.842 -0.765) 2.027 12.068 ( -2.499 -6.929 -0.770) 7.406 12.116 ( -0.967 2.367 -3.266) 4.147 12.246 ( 8.409 0.028 4.028) 9.324 12.292 ( -1.318 -2.750 2.773) 4.122 12.371 ( 0.262 -3.208 -1.768) 3.673 12.678 ( -3.935 2.999 -1.172) 5.085 16.230 ( -9.438 0.437 -8.028) 12.398 16.374 ( -10.584 3.655 -8.103) 13.822 16.401 ( -8.101 4.056 -7.935) 12.043 16.435 ( -9.959 3.526 0.933) 10.606 16.665 ( 0.541 3.815 3.270) 5.054 16.707 ( 1.097 2.271 -0.545) 2.581 16.879 ( -1.948 2.764 0.619) 3.438 16.960 ( -1.398 7.067 -4.465) 8.475 16.988 ( -3.414 1.786 -1.624) 4.181 17.038 ( 0.159 3.017 -2.378) 3.845 17.074 ( 0.004 1.246 0.104) 1.251 17.153 ( -0.208 3.317 1.795) 3.778 17.233 ( -2.319 7.604 0.297) 7.955 17.265 ( -2.339 4.439 -3.785) 6.285 17.305 ( -3.083 3.036 -2.235) 4.870 17.333 ( -2.677 3.054 -1.034) 4.191 17.410 ( 5.432 5.645 3.617) 8.629 17.615 ( 1.816 7.437 3.292) 8.333 17.668 ( -0.393 5.151 -1.438) 5.363 17.724 ( 4.564 2.717 -6.285) 8.229 17.748 ( 0.375 0.077 8.564) 8.572 17.901 ( -0.484 0.281 -0.344) 0.657 18.047 ( 6.220 2.528 4.788) 8.247 18.055 ( 5.757 1.088 5.098) 7.767 18.184 ( 1.356 49.969 0.603) 49.991 18.216 ( 0.730 53.126 -0.328) 53.132 18.353 ( 18.585 48.966 9.857) 53.294 20.355 ( -60.998 45.711 -35.217) 83.967 22.661 ( 1.091 -25.688 1.362) 25.748 22.691 ( 6.079 -22.071 1.859) 22.968 23.400 ( -3.108 -44.276 8.144) 45.126 23.419 ( 5.079 -43.819 -6.932) 44.654 28.355 ( 6.720 -0.599 3.605) 7.650 28.530 ( 1.132 2.508 0.169) 2.756 28.569 ( 0.635 2.077 -0.371) 2.203 28.605 ( 0.494 0.754 2.990) 3.123 28.702 ( 19.539 -10.043 11.400) 24.751 28.842 ( 0.612 0.931 -2.678) 2.900 28.875 ( -0.544 1.516 0.851) 1.822 29.106 ( -1.424 0.066 -0.893) 1.682 29.311 ( 2.761 -12.451 4.452) 13.508 29.344 ( 6.281 -11.302 -0.238) 12.932 29.383 ( 3.741 -8.190 3.755) 9.756 29.649 ( -4.873 -10.752 -1.492) 11.899 29.898 ( 1.103 -6.626 -1.321) 6.845 29.956 ( -1.589 -6.909 -0.237) 7.093 30.054 ( -0.894 -0.092 -0.010) 0.898 30.095 ( -1.014 -0.442 -0.686) 1.302 31.617 ( 0.748 2.501 0.683) 2.698 31.704 ( -3.128 -1.921 1.697) 4.044 31.706 ( -1.365 -1.784 -4.419) 4.957 31.740 ( -2.539 -0.171 -2.487) 3.558 31.995 ( 1.016 -0.357 5.606) 5.709 32.003 ( 4.492 -0.300 -1.800) 4.848 32.069 ( 6.664 -3.607 4.005) 8.571 32.308 ( -1.319 -7.321 -0.870) 7.490 33.925 ( -0.019 29.631 0.368) 29.633 33.952 ( 0.181 29.570 -0.216) 29.572 34.376 ( -0.984 16.069 -8.322) 18.123 34.397 ( -6.440 18.561 5.223) 20.329 34.842 ( 8.180 -6.675 4.088) 11.321 35.049 ( -1.502 -11.664 -0.962) 11.799 35.194 ( -4.603 -19.338 -2.054) 19.984 35.250 ( -4.277 -19.897 -3.114) 20.588 ======================= Grid point 12 (9/50) ======================= q-point: (-0.50 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( 0.000 -3.488 0.000) 3.488 1.324 ( 0.000 0.154 -0.000) 0.154 1.831 ( 0.000 0.718 0.000) 0.718 1.898 ( 0.000 17.681 0.000) 17.681 2.009 ( -0.000 15.396 0.000) 15.396 2.155 ( 0.000 -8.636 -0.000) 8.636 2.526 ( -0.000 0.367 0.000) 0.367 2.563 ( 0.000 -8.414 -0.000) 8.414 2.632 ( 0.000 22.291 0.000) 22.291 2.714 ( 0.000 -4.671 0.000) 4.671 2.816 ( -0.000 -7.492 -0.000) 7.492 2.900 ( -0.000 9.003 0.000) 9.003 3.101 ( 0.000 1.802 0.000) 1.802 3.208 ( 0.000 14.563 0.000) 14.563 3.232 ( 0.000 6.939 0.000) 6.939 3.325 ( 0.000 16.485 0.000) 16.485 3.456 ( 0.000 8.204 0.000) 8.204 3.551 ( 0.000 8.332 0.000) 8.332 3.614 ( 0.000 25.099 0.000) 25.099 3.654 ( 0.000 21.972 0.000) 21.972 3.886 ( 0.000 6.809 -0.000) 6.809 3.947 ( 0.000 4.600 0.000) 4.600 4.270 ( 0.000 9.096 0.000) 9.096 4.450 ( 0.000 17.047 -0.000) 17.047 4.637 ( 0.000 22.645 -0.000) 22.645 4.721 ( 0.000 19.054 -0.000) 19.054 4.785 ( 0.000 27.635 -0.000) 27.635 4.797 ( -0.000 16.827 0.000) 16.827 4.938 ( 0.000 2.259 0.000) 2.259 4.983 ( 0.000 8.166 -0.000) 8.166 5.175 ( 0.000 21.740 0.000) 21.740 5.218 ( 0.000 -9.009 0.000) 9.009 5.602 ( 0.000 14.554 -0.000) 14.554 5.681 ( 0.000 13.235 0.000) 13.235 5.926 ( 0.000 2.047 -0.000) 2.047 5.929 ( 0.000 2.202 0.000) 2.202 6.094 ( 0.000 2.450 0.000) 2.450 6.095 ( 0.000 21.283 -0.000) 21.283 6.150 ( 0.000 -7.872 0.000) 7.872 6.187 ( 0.000 17.891 0.000) 17.891 6.283 ( -0.000 11.310 -0.000) 11.310 6.289 ( 0.000 14.548 0.000) 14.548 6.535 ( -0.000 0.936 0.000) 0.936 6.548 ( 0.000 2.430 -0.000) 2.430 6.630 ( -0.000 5.172 -0.000) 5.172 6.689 ( 0.000 8.352 0.000) 8.352 6.769 ( 0.000 -13.789 -0.000) 13.789 6.916 ( 0.000 3.126 0.000) 3.126 6.988 ( 0.000 -5.685 0.000) 5.685 7.051 ( 0.000 10.060 0.000) 10.060 7.194 ( 0.000 12.196 0.000) 12.196 7.210 ( 0.000 6.237 -0.000) 6.237 7.297 ( 0.000 0.084 0.000) 0.084 7.374 ( 0.000 2.678 -0.000) 2.678 7.431 ( 0.000 8.215 0.000) 8.215 7.459 ( 0.000 -7.409 0.000) 7.409 7.621 ( 0.000 -6.412 -0.000) 6.412 7.689 ( -0.000 -0.974 0.000) 0.974 7.922 ( 0.000 -0.985 0.000) 0.985 7.930 ( -0.000 3.195 -0.000) 3.195 8.067 ( 0.000 1.155 0.000) 1.155 8.107 ( 0.000 7.994 0.000) 7.994 8.218 ( 0.000 11.936 -0.000) 11.936 8.242 ( 0.000 14.919 0.000) 14.919 8.347 ( 0.000 -2.185 -0.000) 2.185 8.490 ( 0.000 3.901 0.000) 3.901 8.588 ( 0.000 -7.184 0.000) 7.184 8.630 ( 0.000 -5.443 0.000) 5.443 8.806 ( 0.000 0.739 0.000) 0.739 8.842 ( 0.000 2.257 0.000) 2.257 8.920 ( -0.000 -4.795 -0.000) 4.795 9.013 ( 0.000 -4.655 0.000) 4.655 9.128 ( 0.000 5.322 -0.000) 5.322 9.165 ( 0.000 10.881 0.000) 10.881 9.325 ( 0.000 11.527 -0.000) 11.527 9.369 ( -0.000 6.991 0.000) 6.991 9.732 ( 0.000 -10.989 0.000) 10.989 9.788 ( 0.000 -10.331 0.000) 10.331 10.092 ( 0.000 -18.529 0.000) 18.529 10.119 ( -0.000 -17.868 -0.000) 17.868 10.298 ( 0.000 -9.809 0.000) 9.809 10.358 ( 0.000 -11.523 -0.000) 11.523 10.509 ( 0.000 -11.460 0.000) 11.460 10.666 ( 0.000 -3.168 0.000) 3.168 10.709 ( 0.000 -4.435 0.000) 4.435 10.750 ( 0.000 -0.572 0.000) 0.572 11.045 ( 0.000 -4.815 0.000) 4.815 11.068 ( 0.000 -3.562 0.000) 3.562 11.352 ( 0.000 -0.974 0.000) 0.974 11.361 ( 0.000 -7.336 0.000) 7.336 11.447 ( 0.000 -13.131 0.000) 13.131 11.569 ( 0.000 -7.767 0.000) 7.767 11.754 ( 0.000 -5.908 0.000) 5.908 11.785 ( 0.000 -4.029 0.000) 4.029 11.806 ( 0.000 -6.597 0.000) 6.597 11.874 ( 0.000 -4.724 0.000) 4.724 11.884 ( 0.000 -0.436 -0.000) 0.436 11.931 ( 0.000 0.772 0.000) 0.772 12.033 ( 0.000 -2.403 -0.000) 2.403 12.069 ( 0.000 -0.521 0.000) 0.521 12.291 ( 0.000 -2.274 0.000) 2.274 12.352 ( 0.000 -3.325 0.000) 3.325 12.470 ( 0.000 -2.096 0.000) 2.096 12.541 ( -0.000 -3.023 -0.000) 3.023 16.105 ( -0.000 6.048 -0.000) 6.048 16.130 ( 0.000 6.728 0.000) 6.728 16.277 ( 0.000 2.976 0.000) 2.976 16.323 ( 0.000 2.861 0.000) 2.861 16.712 ( 0.000 5.184 -0.000) 5.184 16.724 ( 0.000 2.699 0.000) 2.699 16.827 ( -0.000 7.335 0.000) 7.335 16.831 ( 0.000 1.949 -0.000) 1.949 16.992 ( 0.000 0.678 0.000) 0.678 17.000 ( 0.000 2.950 -0.000) 2.950 17.160 ( 0.000 2.540 0.000) 2.540 17.169 ( 0.000 2.322 0.000) 2.322 17.212 ( 0.000 -0.704 -0.000) 0.704 17.223 ( 0.000 2.791 0.000) 2.791 17.253 ( -0.000 2.721 0.000) 2.721 17.260 ( 0.000 4.799 0.000) 4.799 17.544 ( 0.000 6.695 0.000) 6.695 17.566 ( 0.000 6.141 0.000) 6.141 17.673 ( 0.000 8.068 -0.000) 8.068 17.738 ( 0.000 6.586 0.000) 6.586 17.842 ( 0.000 1.252 0.000) 1.252 17.862 ( 0.000 -0.140 -0.000) 0.140 18.131 ( 0.000 3.560 0.000) 3.560 18.158 ( 0.000 -1.553 0.000) 1.553 18.191 ( 0.000 53.105 0.000) 53.105 18.227 ( 0.000 49.473 -0.000) 49.473 19.035 ( -0.000 58.437 -0.000) 58.437 19.112 ( 0.000 58.224 0.000) 58.224 22.706 ( 0.000 -24.727 0.000) 24.727 22.708 ( -0.000 -23.746 -0.000) 23.746 23.422 ( 0.000 -45.168 0.000) 45.168 23.429 ( 0.000 -44.888 0.000) 44.888 28.521 ( 0.000 0.345 0.000) 0.345 28.527 ( -0.000 1.381 -0.000) 1.381 28.551 ( 0.000 3.598 0.000) 3.598 28.623 ( 0.000 1.898 0.000) 1.898 28.827 ( -0.000 0.916 0.000) 0.916 28.828 ( 0.000 2.067 -0.000) 2.067 29.038 ( 0.000 -3.327 0.000) 3.327 29.050 ( -0.000 -3.415 0.000) 3.415 29.393 ( 0.000 -14.363 0.000) 14.363 29.447 ( 0.000 -14.984 -0.000) 14.984 29.498 ( 0.000 -11.642 0.000) 11.642 29.506 ( -0.000 -10.498 -0.000) 10.498 29.905 ( 0.000 -7.484 0.000) 7.484 29.931 ( 0.000 -6.602 0.000) 6.602 30.042 ( 0.000 -1.139 0.000) 1.139 30.075 ( 0.000 -1.246 0.000) 1.246 31.645 ( 0.000 0.558 0.000) 0.558 31.647 ( -0.000 0.274 -0.000) 0.274 31.690 ( -0.000 -2.090 0.000) 2.090 31.697 ( 0.000 -1.539 -0.000) 1.539 32.040 ( -0.000 -0.042 0.000) 0.042 32.040 ( 0.000 0.183 -0.000) 0.183 32.223 ( -0.000 -5.480 -0.000) 5.480 32.231 ( 0.000 -5.199 0.000) 5.199 33.929 ( 0.000 29.164 0.000) 29.164 33.955 ( 0.000 29.234 0.000) 29.234 34.335 ( 0.000 18.921 0.000) 18.921 34.350 ( 0.000 18.285 0.000) 18.285 34.975 ( 0.000 -11.537 0.000) 11.537 34.996 ( 0.000 -11.630 0.000) 11.630 35.122 ( 0.000 -18.561 -0.000) 18.561 35.174 ( 0.000 -19.033 0.000) 19.033 ======================= Grid point 15 (10/50) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 1.555 ( 0.000 20.565 0.000) 20.565 1.557 ( 0.000 12.835 0.000) 12.835 1.922 ( 0.000 17.061 0.000) 17.061 2.095 ( 0.000 3.590 0.000) 3.590 2.219 ( 0.000 11.646 0.000) 11.646 2.286 ( 0.000 4.665 0.000) 4.665 2.454 ( 0.000 28.544 0.000) 28.544 2.803 ( 0.000 -6.074 0.000) 6.074 2.838 ( 0.000 0.129 0.000) 0.129 2.944 ( 0.000 20.691 0.000) 20.691 2.986 ( 0.000 23.442 0.000) 23.442 3.094 ( 0.000 2.931 0.000) 2.931 3.240 ( 0.000 -0.299 0.000) 0.299 3.305 ( 0.000 1.510 0.000) 1.510 3.498 ( 0.000 -12.866 0.000) 12.866 3.545 ( 0.000 -10.611 0.000) 10.611 3.717 ( 0.000 -7.044 0.000) 7.044 3.756 ( 0.000 -5.363 0.000) 5.363 3.807 ( 0.000 -5.816 0.000) 5.816 3.992 ( 0.000 -19.459 0.000) 19.459 4.009 ( 0.000 12.265 0.000) 12.265 4.306 ( 0.000 -11.451 0.000) 11.451 4.398 ( 0.000 15.906 0.000) 15.906 4.456 ( 0.000 13.663 0.000) 13.663 4.721 ( 0.000 2.130 0.000) 2.130 4.774 ( 0.000 4.911 0.000) 4.911 4.831 ( 0.000 8.012 0.000) 8.012 4.915 ( 0.000 9.727 0.000) 9.727 5.009 ( 0.000 4.614 0.000) 4.614 5.137 ( 0.000 12.607 0.000) 12.607 5.257 ( 0.000 10.742 0.000) 10.742 5.300 ( 0.000 7.306 0.000) 7.306 5.480 ( 0.000 6.473 0.000) 6.473 5.675 ( 0.000 13.177 0.000) 13.177 5.832 ( 0.000 2.034 0.000) 2.034 5.852 ( 0.000 5.500 0.000) 5.500 5.933 ( 0.000 -6.086 0.000) 6.086 6.038 ( 0.000 8.356 0.000) 8.356 6.140 ( 0.000 -0.017 0.000) 0.017 6.312 ( 0.000 -2.537 0.000) 2.537 6.432 ( 0.000 6.902 0.000) 6.902 6.455 ( 0.000 -1.120 0.000) 1.120 6.642 ( 0.000 4.586 0.000) 4.586 6.735 ( 0.000 -20.655 0.000) 20.655 6.862 ( 0.000 -5.449 0.000) 5.449 6.944 ( 0.000 8.088 0.000) 8.088 6.966 ( 0.000 14.039 0.000) 14.039 6.973 ( 0.000 -1.531 0.000) 1.531 7.037 ( 0.000 5.884 0.000) 5.884 7.159 ( 0.000 18.483 0.000) 18.483 7.205 ( 0.000 2.268 0.000) 2.268 7.353 ( 0.000 6.104 0.000) 6.104 7.426 ( 0.000 7.532 0.000) 7.532 7.470 ( 0.000 -4.139 0.000) 4.139 7.580 ( 0.000 1.424 0.000) 1.424 7.583 ( 0.000 2.935 0.000) 2.935 7.684 ( 0.000 15.815 0.000) 15.815 7.749 ( 0.000 0.098 0.000) 0.098 7.959 ( 0.000 9.449 0.000) 9.449 8.016 ( 0.000 -2.495 0.000) 2.495 8.099 ( 0.000 -12.384 0.000) 12.384 8.101 ( 0.000 -0.032 0.000) 0.032 8.223 ( 0.000 6.427 0.000) 6.427 8.310 ( 0.000 -1.796 0.000) 1.796 8.396 ( 0.000 -2.865 0.000) 2.865 8.501 ( 0.000 -1.554 0.000) 1.554 8.735 ( 0.000 4.906 0.000) 4.906 8.749 ( 0.000 4.092 0.000) 4.092 8.795 ( 0.000 5.240 0.000) 5.240 8.813 ( 0.000 1.183 0.000) 1.183 8.962 ( 0.000 8.769 0.000) 8.769 9.002 ( 0.000 2.002 0.000) 2.002 9.068 ( 0.000 0.270 0.000) 0.270 9.138 ( 0.000 -1.715 0.000) 1.715 9.197 ( 0.000 1.666 0.000) 1.666 9.378 ( 0.000 -5.061 0.000) 5.061 9.512 ( 0.000 -8.026 0.000) 8.026 9.585 ( 0.000 17.848 0.000) 17.848 9.776 ( 0.000 -8.451 0.000) 8.451 10.051 ( 0.000 -11.256 0.000) 11.256 10.281 ( 0.000 -7.274 0.000) 7.274 10.349 ( 0.000 -1.668 0.000) 1.668 10.507 ( 0.000 -7.621 0.000) 7.621 10.539 ( 0.000 -10.581 0.000) 10.581 10.612 ( 0.000 -8.039 0.000) 8.039 10.616 ( 0.000 -6.678 0.000) 6.678 10.749 ( 0.000 -2.216 0.000) 2.216 10.817 ( 0.000 -3.354 0.000) 3.354 11.270 ( 0.000 1.949 0.000) 1.949 11.307 ( 0.000 1.781 0.000) 1.781 11.359 ( 0.000 4.068 0.000) 4.068 11.581 ( 0.000 -0.072 0.000) 0.072 11.596 ( 0.000 -8.822 0.000) 8.822 11.662 ( 0.000 9.812 0.000) 9.812 11.718 ( 0.000 -3.711 0.000) 3.711 11.748 ( 0.000 -2.990 0.000) 2.990 11.796 ( 0.000 -2.172 0.000) 2.172 11.925 ( 0.000 -1.887 0.000) 1.887 11.999 ( 0.000 -1.617 0.000) 1.617 12.162 ( 0.000 -8.179 0.000) 8.179 12.176 ( 0.000 -4.674 0.000) 4.674 12.214 ( 0.000 4.612 0.000) 4.612 12.308 ( 0.000 -1.431 0.000) 1.431 12.712 ( 0.000 -6.915 0.000) 6.915 16.406 ( 0.000 4.731 0.000) 4.731 16.549 ( 0.000 2.595 0.000) 2.595 16.568 ( 0.000 2.004 0.000) 2.004 16.696 ( 0.000 1.654 0.000) 1.654 16.703 ( 0.000 1.285 0.000) 1.285 16.782 ( 0.000 5.014 0.000) 5.014 16.901 ( 0.000 3.467 0.000) 3.467 16.909 ( 0.000 -5.530 0.000) 5.530 17.161 ( 0.000 6.985 0.000) 6.985 17.212 ( 0.000 4.023 0.000) 4.023 17.221 ( 0.000 3.132 0.000) 3.132 17.248 ( 0.000 4.657 0.000) 4.657 17.335 ( 0.000 0.301 0.000) 0.301 17.379 ( 0.000 2.012 0.000) 2.012 17.417 ( 0.000 3.223 0.000) 3.223 17.449 ( 0.000 3.301 0.000) 3.301 17.462 ( 0.000 2.924 0.000) 2.924 17.597 ( 0.000 2.939 0.000) 2.939 17.685 ( 0.000 0.434 0.000) 0.434 17.729 ( 0.000 -0.202 0.000) 0.202 17.788 ( 0.000 -2.575 0.000) 2.575 17.823 ( 0.000 -0.053 0.000) 0.053 17.835 ( 0.000 -3.579 0.000) 3.579 17.877 ( 0.000 -3.688 0.000) 3.688 19.257 ( 0.000 59.625 0.000) 59.625 19.404 ( 0.000 58.202 0.000) 58.202 19.431 ( 0.000 57.791 0.000) 57.791 21.615 ( 0.000 6.260 0.000) 6.260 22.042 ( 0.000 -31.579 0.000) 31.579 22.208 ( 0.000 -15.085 0.000) 15.085 22.444 ( 0.000 -45.766 0.000) 45.766 22.498 ( 0.000 -40.949 0.000) 40.949 28.266 ( 0.000 -0.089 0.000) 0.089 28.275 ( 0.000 -0.234 0.000) 0.234 28.560 ( 0.000 1.998 0.000) 1.998 28.616 ( 0.000 1.849 0.000) 1.849 28.639 ( 0.000 3.428 0.000) 3.428 28.815 ( 0.000 -4.453 0.000) 4.453 28.872 ( 0.000 -0.241 0.000) 0.241 29.075 ( 0.000 1.307 0.000) 1.307 29.144 ( 0.000 2.504 0.000) 2.504 29.159 ( 0.000 2.031 0.000) 2.031 29.376 ( 0.000 1.415 0.000) 1.415 29.545 ( 0.000 -5.562 0.000) 5.562 29.733 ( 0.000 -16.204 0.000) 16.204 29.775 ( 0.000 -4.905 0.000) 4.905 29.982 ( 0.000 -8.960 0.000) 8.960 30.027 ( 0.000 -8.323 0.000) 8.323 31.675 ( 0.000 4.065 0.000) 4.065 31.727 ( 0.000 0.067 0.000) 0.067 31.750 ( 0.000 -0.118 0.000) 0.118 31.809 ( 0.000 -1.007 0.000) 1.007 31.845 ( 0.000 -3.112 0.000) 3.112 31.887 ( 0.000 -3.887 0.000) 3.887 31.902 ( 0.000 -3.869 0.000) 3.869 32.136 ( 0.000 -9.468 0.000) 9.468 34.431 ( 0.000 18.135 0.000) 18.135 34.457 ( 0.000 18.097 0.000) 18.097 34.634 ( 0.000 4.315 0.000) 4.315 34.736 ( 0.000 5.789 0.000) 5.789 34.767 ( 0.000 10.051 0.000) 10.051 34.905 ( 0.000 -6.786 0.000) 6.786 34.937 ( 0.000 -8.201 0.000) 8.201 34.977 ( 0.000 -11.135 0.000) 11.135 ======================= Grid point 16 (11/50) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( -3.482 10.859 -7.383) 13.585 1.565 ( -8.829 19.450 1.851) 21.440 1.806 ( 10.815 13.161 2.507) 17.218 2.037 ( -0.994 8.090 -1.177) 8.235 2.063 ( 0.031 5.193 -5.992) 7.929 2.320 ( -11.916 1.894 -8.570) 14.800 2.400 ( -7.178 -4.932 5.513) 10.308 2.556 ( -6.596 4.416 -6.408) 10.202 2.956 ( 2.848 24.033 -1.742) 24.264 2.994 ( -17.893 3.213 -6.440) 19.286 3.085 ( -15.906 -14.179 -14.321) 25.674 3.140 ( 2.596 4.117 17.341) 18.011 3.195 ( 4.259 -5.442 -4.726) 8.372 3.273 ( -10.291 -1.474 -2.404) 10.670 3.363 ( 4.171 -1.942 -6.982) 8.361 3.417 ( 3.190 4.542 3.241) 6.428 3.562 ( -8.133 -0.848 3.461) 8.880 3.665 ( -5.837 -1.694 -7.036) 9.298 3.815 ( 8.399 4.562 4.291) 10.477 3.909 ( 5.016 8.040 -3.590) 10.134 4.016 ( 9.080 1.001 3.228) 9.689 4.202 ( 4.227 9.505 8.648) 13.528 4.322 ( -3.475 11.101 -10.765) 15.849 4.626 ( -9.774 0.893 1.371) 9.910 4.836 ( 7.443 8.698 5.818) 12.841 4.876 ( 5.373 10.051 3.737) 11.994 4.970 ( 5.624 4.228 -6.108) 9.318 5.049 ( 2.043 12.734 13.900) 18.962 5.220 ( 8.579 10.409 2.901) 13.797 5.257 ( 5.687 12.746 0.304) 13.960 5.326 ( 5.777 5.683 7.705) 11.182 5.428 ( 14.246 3.289 0.413) 14.627 5.554 ( 2.607 5.607 2.512) 6.674 5.627 ( 5.396 12.296 0.664) 13.444 5.822 ( -5.007 -12.187 6.574) 14.725 5.925 ( 3.862 -4.708 5.660) 8.313 5.972 ( 7.339 -2.210 -4.283) 8.780 6.123 ( 3.066 1.848 7.873) 8.649 6.281 ( 9.192 -0.190 -0.811) 9.230 6.337 ( 0.243 8.829 10.776) 13.933 6.423 ( 4.509 6.413 -4.363) 8.971 6.582 ( -10.385 4.040 -8.702) 14.138 6.625 ( 0.358 4.167 0.003) 4.182 6.656 ( -9.308 -5.450 -3.810) 11.439 6.717 ( -2.928 9.468 2.558) 10.235 6.754 ( -11.860 7.305 -7.184) 15.673 6.915 ( 1.820 8.562 -5.955) 10.587 6.951 ( 2.562 -0.023 9.445) 9.786 7.016 ( 4.203 0.600 -6.221) 7.531 7.094 ( 2.599 2.506 -0.900) 3.721 7.239 ( -1.863 3.388 5.691) 6.880 7.284 ( 2.115 -6.347 0.932) 6.755 7.421 ( -4.285 9.601 3.533) 11.092 7.427 ( -2.633 1.664 -9.500) 9.998 7.558 ( -0.036 6.566 -7.718) 10.133 7.630 ( -6.653 8.910 4.357) 11.943 7.754 ( 2.851 8.010 -7.250) 11.174 7.794 ( -11.458 -2.272 5.260) 12.810 7.962 ( 9.109 6.730 5.277) 12.494 7.981 ( -6.329 3.231 -1.198) 7.206 8.037 ( -0.186 -0.190 1.747) 1.767 8.129 ( 8.414 -0.554 -0.625) 8.455 8.221 ( 2.563 7.464 -2.534) 8.289 8.344 ( 0.504 -1.547 1.599) 2.281 8.443 ( 2.681 -1.932 3.561) 4.858 8.600 ( -7.017 1.519 -4.072) 8.254 8.621 ( -2.852 0.449 6.498) 7.111 8.684 ( 5.231 -2.684 -2.588) 6.424 8.751 ( -9.324 1.829 -8.338) 12.642 8.838 ( -2.395 3.478 2.203) 4.763 8.896 ( -0.673 3.861 -4.195) 5.741 9.051 ( -2.939 1.290 -2.595) 4.127 9.089 ( 4.157 -2.251 4.037) 6.216 9.211 ( 10.644 -0.416 6.554) 12.507 9.272 ( 6.560 2.934 1.799) 7.408 9.397 ( 5.339 0.385 0.256) 5.359 9.547 ( 1.940 -8.852 2.586) 9.423 9.624 ( -0.426 4.081 2.968) 5.064 9.744 ( -4.023 -7.845 0.303) 8.821 10.016 ( -5.840 -12.710 -8.441) 16.337 10.218 ( -1.640 -2.920 -0.826) 3.449 10.319 ( -8.334 -5.412 -2.717) 10.302 10.340 ( 2.230 -0.535 -0.038) 2.294 10.568 ( 0.631 -5.309 1.368) 5.519 10.585 ( -0.849 -4.973 -0.343) 5.056 10.681 ( 1.618 -8.843 1.405) 9.099 10.864 ( 4.952 -4.630 2.774) 7.325 10.904 ( 5.094 -5.667 0.261) 7.625 11.302 ( 0.204 2.878 -0.014) 2.886 11.310 ( 0.178 1.205 1.203) 1.712 11.371 ( 1.646 1.213 2.473) 3.209 11.474 ( -4.329 3.990 -0.769) 5.937 11.609 ( 1.606 -6.850 0.149) 7.037 11.703 ( -1.330 -3.124 0.934) 3.521 11.724 ( 2.041 -1.132 -2.131) 3.160 11.790 ( 0.346 -2.484 -1.151) 2.759 11.824 ( 3.893 3.087 4.865) 6.954 11.932 ( 1.258 -1.378 -0.600) 1.960 11.983 ( -0.462 -1.727 0.609) 1.888 12.160 ( 0.047 -0.998 -3.719) 3.851 12.182 ( -1.441 -7.670 4.288) 8.905 12.259 ( 2.770 -1.929 0.215) 3.382 12.277 ( 0.208 -1.429 -1.796) 2.305 12.627 ( -6.947 -7.495 -2.932) 10.632 16.315 ( -4.637 7.617 -3.908) 9.736 16.449 ( -4.985 4.258 -6.607) 9.308 16.477 ( -6.935 4.158 -1.914) 8.309 16.567 ( -10.401 7.697 -5.012) 13.876 16.728 ( 1.338 1.787 3.466) 4.123 16.746 ( 1.808 0.946 -0.804) 2.193 16.888 ( -2.541 -4.417 2.995) 5.911 16.946 ( 2.429 -0.344 -1.175) 2.720 17.056 ( -6.004 2.368 -8.186) 10.424 17.094 ( -8.411 1.641 -1.527) 8.705 17.143 ( -0.789 5.877 -1.098) 6.031 17.235 ( -3.696 2.746 0.641) 4.649 17.283 ( -2.402 -1.078 -2.617) 3.712 17.325 ( -3.395 1.241 -5.249) 6.373 17.339 ( -3.886 2.440 -0.981) 4.692 17.394 ( -2.812 0.726 -0.704) 2.989 17.523 ( 5.841 5.376 3.371) 8.625 17.697 ( 5.306 1.874 4.611) 7.275 17.725 ( -0.520 1.861 -1.891) 2.704 17.748 ( 4.386 1.121 2.614) 5.227 17.788 ( 3.191 2.152 1.202) 4.032 17.866 ( 0.363 -2.315 0.685) 2.442 18.007 ( 8.527 -2.377 1.233) 8.938 18.018 ( 4.952 -2.235 7.119) 8.956 19.401 ( -0.384 58.193 0.693) 58.198 19.427 ( 0.416 57.209 -0.662) 57.215 19.506 ( 18.416 56.137 11.005) 60.097 21.056 ( -34.852 26.117 -19.544) 47.736 22.087 ( 3.607 -29.730 1.545) 29.987 22.257 ( 0.395 -22.608 -0.715) 22.622 22.449 ( -0.740 -46.189 2.143) 46.244 22.494 ( 0.182 -41.887 -2.032) 41.936 28.360 ( 7.587 1.005 4.026) 8.647 28.531 ( 15.472 -4.824 8.996) 18.536 28.589 ( 2.566 2.676 0.666) 3.767 28.636 ( 2.170 1.297 2.551) 3.592 28.670 ( 0.577 5.970 0.200) 6.001 28.875 ( 2.526 1.337 0.374) 2.882 28.926 ( 1.914 1.995 1.394) 3.096 29.095 ( 3.114 -2.874 0.135) 4.240 29.113 ( -2.201 -1.123 0.821) 2.604 29.184 ( 1.530 -0.898 0.887) 1.984 29.358 ( -1.368 0.158 -0.455) 1.450 29.451 ( -7.045 -8.355 -2.527) 11.218 29.723 ( 1.052 -12.698 -2.845) 13.055 29.774 ( -1.003 -6.632 1.232) 6.820 29.951 ( -2.618 -9.978 -0.269) 10.319 29.996 ( -1.791 -9.118 -1.939) 9.492 31.647 ( -4.193 -1.780 -0.300) 4.565 31.656 ( -2.779 -2.619 -4.273) 5.731 31.689 ( 0.227 3.181 0.724) 3.270 31.748 ( -1.691 1.017 -1.462) 2.456 31.971 ( 5.275 -4.871 3.472) 7.975 31.978 ( 4.093 -1.028 3.204) 5.298 31.986 ( 4.430 -1.444 1.717) 4.966 32.134 ( -0.464 -9.138 -0.433) 9.160 34.419 ( -0.459 17.240 -0.715) 17.261 34.446 ( -0.906 17.221 0.058) 17.245 34.612 ( -0.354 7.870 -0.218) 7.881 34.721 ( -3.552 11.093 0.200) 11.649 34.791 ( 3.120 0.421 -0.251) 3.158 34.866 ( -3.027 -8.171 -0.967) 8.767 34.903 ( -2.091 -6.063 -1.426) 6.570 34.931 ( -2.493 -8.858 -2.150) 9.450 ======================= Grid point 17 (12/50) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( -0.000 9.031 0.000) 9.031 1.513 ( 0.000 21.298 -0.000) 21.298 1.873 ( -0.000 4.856 0.000) 4.856 1.973 ( 0.000 -5.613 -0.000) 5.613 2.146 ( 0.000 1.498 0.000) 1.498 2.218 ( 0.000 -11.255 -0.000) 11.255 2.335 ( 0.000 8.681 -0.000) 8.681 2.535 ( 0.000 -3.297 0.000) 3.297 2.584 ( 0.000 -7.559 0.000) 7.559 2.684 ( 0.000 6.298 -0.000) 6.298 2.868 ( -0.000 2.696 0.000) 2.696 2.889 ( 0.000 -20.029 -0.000) 20.029 3.296 ( -0.000 10.914 -0.000) 10.914 3.347 ( 0.000 17.259 0.000) 17.259 3.395 ( 0.000 -2.248 -0.000) 2.248 3.444 ( 0.000 2.440 -0.000) 2.440 3.664 ( 0.000 14.707 0.000) 14.707 3.669 ( 0.000 4.766 0.000) 4.766 3.920 ( 0.000 0.824 0.000) 0.824 4.096 ( 0.000 14.282 -0.000) 14.282 4.115 ( 0.000 10.240 0.000) 10.240 4.126 ( -0.000 14.543 -0.000) 14.543 4.340 ( 0.000 7.079 0.000) 7.079 4.427 ( -0.000 -11.537 -0.000) 11.537 4.927 ( 0.000 -0.440 0.000) 0.440 5.039 ( 0.000 11.435 -0.000) 11.435 5.060 ( 0.000 8.205 0.000) 8.205 5.203 ( -0.000 11.978 0.000) 11.978 5.220 ( 0.000 16.576 -0.000) 16.576 5.245 ( 0.000 19.053 0.000) 19.053 5.336 ( 0.000 12.320 0.000) 12.320 5.582 ( 0.000 6.656 -0.000) 6.656 5.733 ( 0.000 -4.374 0.000) 4.374 5.749 ( 0.000 -3.491 0.000) 3.491 5.848 ( -0.000 -8.533 0.000) 8.533 5.916 ( 0.000 -6.817 -0.000) 6.817 6.136 ( 0.000 9.775 0.000) 9.775 6.208 ( 0.000 15.705 0.000) 15.705 6.323 ( 0.000 -0.346 0.000) 0.346 6.371 ( 0.000 3.971 -0.000) 3.971 6.431 ( -0.000 -2.101 -0.000) 2.101 6.479 ( -0.000 -3.361 -0.000) 3.361 6.481 ( 0.000 0.849 0.000) 0.849 6.575 ( -0.000 0.264 -0.000) 0.264 6.684 ( 0.000 4.176 -0.000) 4.176 6.785 ( -0.000 21.117 0.000) 21.117 6.790 ( 0.000 -0.244 -0.000) 0.244 6.901 ( -0.000 13.166 0.000) 13.166 7.126 ( 0.000 -6.846 0.000) 6.846 7.187 ( -0.000 4.301 0.000) 4.301 7.258 ( 0.000 -8.350 0.000) 8.350 7.289 ( 0.000 2.039 -0.000) 2.039 7.410 ( -0.000 6.539 -0.000) 6.539 7.448 ( 0.000 7.957 -0.000) 7.957 7.487 ( -0.000 2.214 0.000) 2.214 7.491 ( 0.000 5.750 0.000) 5.750 7.688 ( 0.000 4.191 -0.000) 4.191 7.744 ( 0.000 11.531 0.000) 11.531 7.920 ( 0.000 0.485 0.000) 0.485 7.924 ( -0.000 2.750 -0.000) 2.750 8.121 ( -0.000 4.165 0.000) 4.165 8.261 ( 0.000 6.801 0.000) 6.801 8.286 ( 0.000 1.355 -0.000) 1.355 8.381 ( -0.000 -7.806 -0.000) 7.806 8.387 ( 0.000 -5.917 0.000) 5.917 8.435 ( 0.000 4.295 0.000) 4.295 8.560 ( 0.000 9.943 -0.000) 9.943 8.607 ( -0.000 4.098 0.000) 4.098 8.822 ( 0.000 -1.060 0.000) 1.060 8.861 ( -0.000 0.860 0.000) 0.860 8.870 ( 0.000 1.275 -0.000) 1.275 8.954 ( -0.000 -2.305 -0.000) 2.305 9.207 ( 0.000 0.593 -0.000) 0.593 9.374 ( 0.000 3.422 0.000) 3.422 9.423 ( 0.000 -2.067 0.000) 2.067 9.452 ( 0.000 -4.795 0.000) 4.795 9.590 ( 0.000 -0.670 0.000) 0.670 9.616 ( -0.000 -5.766 -0.000) 5.766 9.766 ( 0.000 -14.664 0.000) 14.664 9.766 ( -0.000 -12.031 -0.000) 12.031 10.183 ( 0.000 -0.036 0.000) 0.036 10.210 ( 0.000 -1.366 0.000) 1.366 10.399 ( -0.000 0.146 0.000) 0.146 10.557 ( 0.000 -5.035 0.000) 5.035 10.630 ( 0.000 -4.809 0.000) 4.809 10.669 ( 0.000 -6.969 -0.000) 6.969 10.936 ( 0.000 -5.749 0.000) 5.749 10.943 ( 0.000 -7.185 0.000) 7.185 11.290 ( -0.000 1.813 0.000) 1.813 11.328 ( 0.000 1.904 -0.000) 1.904 11.394 ( 0.000 3.947 0.000) 3.947 11.462 ( 0.000 -1.460 0.000) 1.460 11.641 ( 0.000 -4.003 0.000) 4.003 11.689 ( 0.000 -3.676 0.000) 3.676 11.732 ( 0.000 -1.436 -0.000) 1.436 11.785 ( 0.000 -2.449 0.000) 2.449 11.891 ( 0.000 0.189 -0.000) 0.189 11.941 ( 0.000 -1.211 -0.000) 1.211 12.037 ( -0.000 1.986 -0.000) 1.986 12.093 ( 0.000 1.854 0.000) 1.854 12.189 ( 0.000 -7.195 0.000) 7.195 12.237 ( 0.000 -7.785 0.000) 7.785 12.402 ( 0.000 -4.206 0.000) 4.206 12.440 ( -0.000 -6.193 -0.000) 6.193 16.268 ( -0.000 9.298 -0.000) 9.298 16.307 ( 0.000 9.785 0.000) 9.785 16.367 ( 0.000 5.598 0.000) 5.598 16.421 ( 0.000 5.859 0.000) 5.859 16.767 ( 0.000 1.362 0.000) 1.362 16.785 ( 0.000 1.543 0.000) 1.543 16.883 ( 0.000 3.479 0.000) 3.479 16.925 ( 0.000 2.571 0.000) 2.571 16.964 ( 0.000 -4.451 0.000) 4.451 16.976 ( 0.000 -5.763 0.000) 5.763 17.155 ( -0.000 1.077 -0.000) 1.077 17.178 ( 0.000 1.163 0.000) 1.163 17.220 ( 0.000 1.312 0.000) 1.312 17.253 ( 0.000 0.437 0.000) 0.437 17.337 ( 0.000 2.692 0.000) 2.692 17.341 ( 0.000 1.788 -0.000) 1.788 17.653 ( -0.000 4.705 -0.000) 4.705 17.662 ( 0.000 3.938 0.000) 3.938 17.797 ( 0.000 4.673 -0.000) 4.673 17.827 ( -0.000 -1.348 -0.000) 1.348 17.836 ( 0.000 -1.641 0.000) 1.641 17.846 ( -0.000 3.961 0.000) 3.961 18.099 ( 0.000 -2.072 0.000) 2.072 18.111 ( 0.000 -2.369 0.000) 2.369 19.400 ( -0.000 57.433 0.000) 57.433 19.426 ( 0.000 56.709 -0.000) 56.709 20.135 ( -0.000 46.921 -0.000) 46.921 20.201 ( 0.000 46.220 0.000) 46.220 22.181 ( 0.000 -26.469 0.000) 26.469 22.204 ( 0.000 -25.349 -0.000) 25.349 22.460 ( 0.000 -45.906 0.000) 45.906 22.473 ( 0.000 -45.596 0.000) 45.596 28.559 ( 0.000 3.377 0.000) 3.377 28.588 ( -0.000 4.446 -0.000) 4.446 28.631 ( 0.000 3.578 -0.000) 3.578 28.664 ( 0.000 1.791 0.000) 1.791 28.881 ( 0.000 4.001 0.000) 4.001 28.895 ( 0.000 1.638 -0.000) 1.638 28.973 ( 0.000 -2.910 0.000) 2.910 28.979 ( -0.000 -0.716 -0.000) 0.716 29.172 ( 0.000 -7.089 0.000) 7.089 29.211 ( 0.000 -7.719 -0.000) 7.719 29.333 ( 0.000 -4.473 0.000) 4.473 29.348 ( -0.000 -4.698 -0.000) 4.698 29.718 ( 0.000 -9.832 0.000) 9.832 29.768 ( 0.000 -8.252 0.000) 8.252 29.915 ( 0.000 -11.134 0.000) 11.134 29.955 ( 0.000 -10.214 0.000) 10.214 31.601 ( -0.000 -3.325 0.000) 3.325 31.603 ( 0.000 -3.323 -0.000) 3.323 31.704 ( 0.000 2.789 0.000) 2.789 31.720 ( -0.000 2.924 -0.000) 2.924 32.041 ( 0.000 0.102 -0.000) 0.102 32.044 ( -0.000 0.028 0.000) 0.028 32.082 ( -0.000 -7.605 -0.000) 7.605 32.094 ( 0.000 -7.605 0.000) 7.605 34.410 ( 0.000 16.201 0.000) 16.201 34.436 ( 0.000 16.141 0.000) 16.141 34.642 ( 0.000 10.428 0.000) 10.428 34.646 ( -0.000 10.006 -0.000) 10.006 34.811 ( 0.000 -6.388 0.000) 6.388 34.845 ( 0.000 -3.960 0.000) 3.960 34.860 ( 0.000 -3.858 0.000) 3.858 34.881 ( -0.000 -7.372 0.000) 7.372 ======================= Grid point 20 (13/50) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 1.953 ( 0.000 21.216 0.000) 21.216 2.122 ( 0.000 27.576 0.000) 27.576 2.213 ( 0.000 7.987 0.000) 7.987 2.355 ( 0.000 19.367 0.000) 19.367 2.431 ( 0.000 10.615 0.000) 10.615 2.497 ( 0.000 14.506 0.000) 14.506 2.551 ( 0.000 -10.748 0.000) 10.748 2.610 ( 0.000 -8.115 0.000) 8.115 2.872 ( 0.000 -17.924 0.000) 17.924 2.910 ( 0.000 -4.490 0.000) 4.490 2.955 ( 0.000 -23.139 0.000) 23.139 3.042 ( 0.000 -21.651 0.000) 21.651 3.079 ( 0.000 1.538 0.000) 1.538 3.105 ( 0.000 -3.984 0.000) 3.984 3.328 ( 0.000 -4.415 0.000) 4.415 3.518 ( 0.000 -11.436 0.000) 11.436 3.662 ( 0.000 14.353 0.000) 14.353 3.800 ( 0.000 9.712 0.000) 9.712 3.867 ( 0.000 9.977 0.000) 9.977 4.103 ( 0.000 -4.420 0.000) 4.420 4.130 ( 0.000 24.732 0.000) 24.732 4.465 ( 0.000 24.805 0.000) 24.805 4.654 ( 0.000 -6.603 0.000) 6.603 4.692 ( 0.000 8.744 0.000) 8.744 4.739 ( 0.000 5.680 0.000) 5.680 4.766 ( 0.000 -2.522 0.000) 2.522 4.911 ( 0.000 -9.014 0.000) 9.014 4.967 ( 0.000 -5.886 0.000) 5.886 4.979 ( 0.000 -3.269 0.000) 3.269 5.010 ( 0.000 -9.440 0.000) 9.440 5.262 ( 0.000 -0.347 0.000) 0.347 5.345 ( 0.000 -13.885 0.000) 13.885 5.642 ( 0.000 6.771 0.000) 6.771 5.787 ( 0.000 -5.009 0.000) 5.009 5.824 ( 0.000 13.885 0.000) 13.885 5.945 ( 0.000 9.475 0.000) 9.475 6.004 ( 0.000 9.369 0.000) 9.369 6.124 ( 0.000 -4.247 0.000) 4.247 6.151 ( 0.000 -9.398 0.000) 9.398 6.191 ( 0.000 -11.088 0.000) 11.088 6.408 ( 0.000 4.730 0.000) 4.730 6.460 ( 0.000 2.933 0.000) 2.933 6.519 ( 0.000 -0.406 0.000) 0.406 6.634 ( 0.000 -7.683 0.000) 7.683 6.876 ( 0.000 2.511 0.000) 2.511 6.890 ( 0.000 -0.613 0.000) 0.613 7.016 ( 0.000 2.015 0.000) 2.015 7.057 ( 0.000 7.722 0.000) 7.722 7.138 ( 0.000 -6.349 0.000) 6.349 7.271 ( 0.000 -8.377 0.000) 8.377 7.454 ( 0.000 9.932 0.000) 9.932 7.475 ( 0.000 4.334 0.000) 4.334 7.507 ( 0.000 5.780 0.000) 5.780 7.593 ( 0.000 7.193 0.000) 7.193 7.616 ( 0.000 1.778 0.000) 1.778 7.620 ( 0.000 0.841 0.000) 0.841 7.752 ( 0.000 5.542 0.000) 5.542 7.777 ( 0.000 1.142 0.000) 1.142 7.928 ( 0.000 -6.722 0.000) 6.722 7.971 ( 0.000 -9.820 0.000) 9.820 8.168 ( 0.000 11.196 0.000) 11.196 8.268 ( 0.000 -1.776 0.000) 1.776 8.312 ( 0.000 14.048 0.000) 14.048 8.378 ( 0.000 1.474 0.000) 1.474 8.385 ( 0.000 4.867 0.000) 4.867 8.451 ( 0.000 -3.553 0.000) 3.553 8.796 ( 0.000 0.573 0.000) 0.573 8.799 ( 0.000 2.335 0.000) 2.335 8.824 ( 0.000 0.190 0.000) 0.190 8.830 ( 0.000 -2.343 0.000) 2.343 9.013 ( 0.000 6.672 0.000) 6.672 9.056 ( 0.000 4.254 0.000) 4.254 9.188 ( 0.000 -6.218 0.000) 6.218 9.228 ( 0.000 13.229 0.000) 13.229 9.233 ( 0.000 -9.442 0.000) 9.442 9.233 ( 0.000 8.322 0.000) 8.322 9.381 ( 0.000 -4.731 0.000) 4.731 9.531 ( 0.000 -14.509 0.000) 14.509 9.871 ( 0.000 5.500 0.000) 5.500 9.889 ( 0.000 -2.738 0.000) 2.738 10.212 ( 0.000 0.996 0.000) 0.996 10.331 ( 0.000 -8.323 0.000) 8.323 10.372 ( 0.000 0.996 0.000) 0.996 10.440 ( 0.000 -6.410 0.000) 6.410 10.479 ( 0.000 5.900 0.000) 5.900 10.563 ( 0.000 1.546 0.000) 1.546 10.642 ( 0.000 -7.475 0.000) 7.475 10.677 ( 0.000 -8.474 0.000) 8.474 11.340 ( 0.000 4.080 0.000) 4.080 11.424 ( 0.000 8.234 0.000) 8.234 11.441 ( 0.000 -5.870 0.000) 5.870 11.524 ( 0.000 10.677 0.000) 10.677 11.553 ( 0.000 -3.235 0.000) 3.235 11.673 ( 0.000 -2.433 0.000) 2.433 11.709 ( 0.000 -0.017 0.000) 0.017 11.724 ( 0.000 -0.506 0.000) 0.506 11.868 ( 0.000 1.129 0.000) 1.129 11.904 ( 0.000 1.113 0.000) 1.113 11.961 ( 0.000 -9.471 0.000) 9.471 12.001 ( 0.000 -8.770 0.000) 8.770 12.110 ( 0.000 14.178 0.000) 14.178 12.296 ( 0.000 3.093 0.000) 3.093 12.310 ( 0.000 -0.636 0.000) 0.636 12.465 ( 0.000 -15.240 0.000) 15.240 16.564 ( 0.000 8.787 0.000) 8.787 16.613 ( 0.000 3.220 0.000) 3.220 16.627 ( 0.000 3.453 0.000) 3.453 16.690 ( 0.000 -1.870 0.000) 1.870 16.693 ( 0.000 -2.313 0.000) 2.313 16.759 ( 0.000 -7.643 0.000) 7.643 16.892 ( 0.000 4.140 0.000) 4.140 16.941 ( 0.000 -0.045 0.000) 0.045 17.258 ( 0.000 0.879 0.000) 0.879 17.264 ( 0.000 1.965 0.000) 1.965 17.292 ( 0.000 1.185 0.000) 1.185 17.310 ( 0.000 1.884 0.000) 1.884 17.369 ( 0.000 4.086 0.000) 4.086 17.412 ( 0.000 2.859 0.000) 2.859 17.447 ( 0.000 -1.165 0.000) 1.165 17.468 ( 0.000 -1.517 0.000) 1.517 17.553 ( 0.000 4.592 0.000) 4.592 17.618 ( 0.000 -0.834 0.000) 0.834 17.689 ( 0.000 0.478 0.000) 0.478 17.719 ( 0.000 0.562 0.000) 0.562 17.734 ( 0.000 -2.923 0.000) 2.923 17.761 ( 0.000 -3.219 0.000) 3.219 17.817 ( 0.000 -0.334 0.000) 0.334 17.822 ( 0.000 -1.258 0.000) 1.258 20.403 ( 0.000 49.868 0.000) 49.868 20.526 ( 0.000 49.970 0.000) 49.970 20.533 ( 0.000 49.001 0.000) 49.001 21.318 ( 0.000 -38.984 0.000) 38.984 21.489 ( 0.000 -44.485 0.000) 44.485 21.505 ( 0.000 -45.316 0.000) 45.316 21.798 ( 0.000 10.907 0.000) 10.907 22.044 ( 0.000 -12.671 0.000) 12.671 28.267 ( 0.000 0.152 0.000) 0.152 28.271 ( 0.000 -0.201 0.000) 0.201 28.605 ( 0.000 2.279 0.000) 2.279 28.652 ( 0.000 -1.889 0.000) 1.889 28.659 ( 0.000 2.367 0.000) 2.367 28.721 ( 0.000 -3.797 0.000) 3.797 28.994 ( 0.000 12.379 0.000) 12.379 29.183 ( 0.000 5.856 0.000) 5.856 29.195 ( 0.000 0.108 0.000) 0.108 29.274 ( 0.000 7.387 0.000) 7.387 29.356 ( 0.000 -15.762 0.000) 15.762 29.381 ( 0.000 -3.904 0.000) 3.904 29.511 ( 0.000 4.061 0.000) 4.061 29.714 ( 0.000 -0.085 0.000) 0.085 29.726 ( 0.000 -13.954 0.000) 13.954 29.815 ( 0.000 -9.712 0.000) 9.712 31.743 ( 0.000 1.585 0.000) 1.585 31.765 ( 0.000 1.696 0.000) 1.696 31.777 ( 0.000 4.086 0.000) 4.086 31.791 ( 0.000 -0.856 0.000) 0.856 31.794 ( 0.000 -0.217 0.000) 0.217 31.819 ( 0.000 -1.783 0.000) 1.783 31.821 ( 0.000 -3.465 0.000) 3.465 31.944 ( 0.000 -8.756 0.000) 8.756 34.682 ( 0.000 6.962 0.000) 6.962 34.707 ( 0.000 6.610 0.000) 6.610 34.719 ( 0.000 3.327 0.000) 3.327 34.778 ( 0.000 -3.857 0.000) 3.857 34.781 ( 0.000 0.149 0.000) 0.149 34.821 ( 0.000 -3.940 0.000) 3.940 34.911 ( 0.000 2.905 0.000) 2.905 34.919 ( 0.000 0.884 0.000) 0.884 ======================= Grid point 21 (14/50) ======================= q-point: ( 0.25 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( -10.170 18.399 -7.698) 22.388 1.963 ( -9.771 8.379 -2.240) 13.065 2.073 ( -4.838 11.665 0.722) 12.649 2.150 ( -2.396 2.894 -12.036) 12.609 2.205 ( -13.278 7.510 -10.530) 18.536 2.345 ( -7.188 -3.059 3.265) 8.467 2.487 ( -6.154 13.561 -7.799) 16.811 2.559 ( -11.747 -2.963 -6.257) 13.635 2.718 ( -20.837 -12.245 -8.947) 25.772 2.755 ( -18.164 -8.341 -5.788) 20.809 3.037 ( 11.227 -13.002 0.922) 17.203 3.058 ( 4.782 -12.491 2.154) 13.548 3.129 ( -0.785 4.774 -0.485) 4.863 3.164 ( 1.026 2.324 -6.719) 7.184 3.330 ( 3.603 -10.563 11.183) 15.799 3.412 ( 5.323 -17.338 3.018) 18.386 3.726 ( 7.044 12.264 7.141) 15.844 3.813 ( 11.714 2.522 -2.700) 12.283 3.973 ( 3.928 28.082 -6.615) 29.117 4.095 ( -11.751 14.929 5.882) 19.888 4.306 ( 5.038 -2.480 4.714) 7.332 4.404 ( -1.675 20.451 2.834) 20.714 4.451 ( 2.725 7.445 -1.516) 8.072 4.682 ( -5.246 -1.074 -12.045) 13.181 4.841 ( 0.999 -9.657 -6.901) 11.911 4.949 ( 5.779 7.120 13.181) 16.058 5.062 ( 10.042 -9.049 5.145) 14.464 5.115 ( 11.658 -7.390 4.063) 14.388 5.186 ( 4.834 -5.902 6.497) 10.021 5.270 ( 9.245 -13.095 10.457) 19.139 5.334 ( 13.798 -0.050 8.011) 15.955 5.391 ( -0.688 -1.699 11.488) 11.634 5.604 ( 0.224 6.327 -2.472) 6.797 5.724 ( 3.326 -2.187 -5.654) 6.915 5.849 ( -1.385 16.245 3.023) 16.582 5.989 ( -2.315 9.252 1.363) 9.634 6.034 ( 2.327 7.429 -0.425) 7.797 6.122 ( 4.590 -2.941 2.974) 6.210 6.222 ( 3.799 -9.639 2.073) 10.566 6.296 ( 2.383 -12.371 1.419) 12.678 6.421 ( 7.096 0.972 0.714) 7.198 6.477 ( 6.257 -0.773 0.847) 6.361 6.661 ( 5.543 7.170 2.266) 9.341 6.770 ( 7.094 -0.567 3.186) 7.797 6.880 ( -3.518 -0.287 -6.322) 7.240 6.909 ( -0.719 5.726 -1.502) 5.963 6.979 ( -7.553 0.799 3.197) 8.240 7.019 ( -0.910 -6.993 2.028) 7.338 7.069 ( -8.994 2.870 -9.407) 13.327 7.124 ( -13.319 3.374 -9.056) 16.456 7.254 ( 7.060 12.777 2.120) 14.750 7.357 ( -2.665 4.937 -2.533) 6.156 7.369 ( -7.412 -0.348 -5.799) 9.417 7.468 ( -7.956 -5.341 6.740) 11.716 7.532 ( -7.216 -3.858 2.535) 8.566 7.566 ( 8.206 -9.700 -1.015) 12.746 7.921 ( 7.749 6.732 -3.183) 10.747 7.970 ( 6.106 4.532 -5.325) 9.283 8.055 ( -0.419 5.010 5.244) 7.265 8.090 ( 1.965 1.908 5.604) 6.238 8.189 ( -5.320 9.592 -4.894) 12.011 8.227 ( -3.094 9.428 2.091) 10.140 8.336 ( 0.183 -2.284 -9.136) 9.419 8.359 ( -6.624 -2.929 5.083) 8.849 8.395 ( 8.831 5.959 7.573) 13.071 8.532 ( 8.566 -5.809 7.402) 12.724 8.663 ( -5.307 4.759 -4.218) 8.283 8.714 ( -4.340 1.519 0.733) 4.656 8.766 ( 0.012 3.461 -6.916) 7.734 8.870 ( 2.586 -2.850 -2.909) 4.824 9.001 ( -5.826 5.327 -1.449) 8.026 9.070 ( -9.669 -0.362 1.373) 9.773 9.121 ( 4.423 5.170 3.602) 7.699 9.216 ( 5.381 -0.226 2.706) 6.027 9.312 ( 5.470 2.740 0.632) 6.151 9.365 ( 5.272 -1.422 0.082) 5.461 9.409 ( -0.508 -2.606 3.499) 4.393 9.534 ( -1.183 -11.238 0.077) 11.300 9.647 ( -5.187 -0.580 -5.753) 7.768 9.764 ( -8.747 -11.081 -9.546) 17.042 10.260 ( -0.321 4.332 -0.066) 4.344 10.299 ( -5.832 0.911 0.456) 5.920 10.387 ( 1.855 3.515 0.053) 3.975 10.460 ( 0.204 -4.557 2.306) 5.112 10.484 ( 1.110 -3.116 -0.548) 3.353 10.517 ( 2.427 -6.016 2.059) 6.807 10.765 ( 4.625 -3.586 2.410) 6.329 10.777 ( 4.714 -4.796 1.077) 6.810 11.389 ( 3.411 3.873 1.808) 5.468 11.429 ( 2.656 8.008 -3.421) 9.105 11.448 ( -0.499 0.822 1.825) 2.063 11.530 ( -1.028 -0.019 -1.575) 1.880 11.544 ( -1.007 5.286 6.766) 8.645 11.654 ( -1.584 -2.400 0.668) 2.952 11.716 ( 3.073 0.621 -3.859) 4.972 11.760 ( 0.110 -1.415 2.440) 2.822 11.878 ( 1.740 0.642 -1.148) 2.181 11.911 ( -0.346 -0.194 1.097) 1.166 11.948 ( -2.680 -5.859 4.161) 7.670 12.001 ( 3.346 -9.297 -4.873) 11.017 12.127 ( -0.306 8.431 2.399) 8.771 12.256 ( -3.040 0.656 -2.293) 3.864 12.290 ( 0.014 0.462 -1.732) 1.792 12.407 ( -4.320 -12.389 -2.073) 13.283 16.498 ( -3.017 8.140 -2.680) 9.085 16.536 ( -3.686 3.210 -4.673) 6.762 16.568 ( -4.723 4.685 -0.716) 6.691 16.694 ( -0.064 -2.956 -2.869) 4.120 16.732 ( 1.047 0.311 0.467) 1.188 16.745 ( -0.720 1.657 -3.837) 4.241 16.768 ( -4.699 -1.870 4.004) 6.451 16.897 ( -4.610 -5.527 -2.075) 7.491 17.114 ( -8.914 2.518 -5.674) 10.863 17.128 ( -9.861 1.159 -3.908) 10.671 17.253 ( -1.749 2.098 -1.194) 2.980 17.263 ( -3.538 4.145 -1.883) 5.765 17.284 ( -1.598 -0.623 -0.310) 1.743 17.328 ( -4.417 -1.158 -4.544) 6.442 17.359 ( -3.711 0.103 -2.328) 4.381 17.376 ( -3.319 -1.622 -0.492) 3.727 17.627 ( 4.914 4.457 3.165) 7.350 17.697 ( 4.230 -1.925 3.505) 5.821 17.761 ( 2.973 1.745 -1.364) 3.707 17.783 ( 5.113 1.481 3.672) 6.467 17.806 ( 4.949 -0.541 0.687) 5.025 17.824 ( 1.938 -1.207 2.667) 3.511 17.972 ( 7.714 -0.738 3.285) 8.416 17.979 ( 5.978 -1.283 5.535) 8.247 20.498 ( 0.563 47.768 -0.853) 47.779 20.515 ( -1.687 47.550 0.377) 47.581 20.582 ( 11.628 46.775 6.863) 48.685 21.399 ( 3.076 -34.977 4.043) 35.344 21.472 ( -3.329 -29.294 -2.765) 29.612 21.517 ( 0.469 -42.104 2.452) 42.178 21.561 ( -10.636 3.360 -9.951) 14.948 21.945 ( -7.888 -19.137 -4.674) 21.220 28.393 ( 9.548 2.124 5.196) 11.076 28.448 ( 12.487 -3.247 7.034) 14.695 28.635 ( 2.950 1.608 0.678) 3.427 28.652 ( 2.230 0.049 1.181) 2.524 28.803 ( 5.834 4.455 3.787) 8.260 28.858 ( 7.723 -2.188 6.505) 10.332 28.974 ( -2.006 6.417 -2.178) 7.067 29.117 ( -5.737 -0.234 -3.834) 6.904 29.178 ( -2.109 4.682 -1.325) 5.303 29.244 ( -1.321 4.263 -0.065) 4.463 29.284 ( -3.538 -5.980 -2.068) 7.250 29.348 ( -2.323 -2.272 -1.644) 3.642 29.515 ( 0.388 -2.174 1.264) 2.545 29.680 ( -3.843 -11.831 -0.507) 12.450 29.689 ( -1.672 -3.332 -1.457) 4.002 29.774 ( -2.176 -9.652 -2.977) 10.332 31.612 ( -5.103 -1.000 -2.258) 5.669 31.613 ( -4.554 -1.191 -3.411) 5.813 31.780 ( -0.578 3.946 1.588) 4.293 31.796 ( 1.477 5.139 -1.343) 5.514 31.865 ( 2.654 -4.769 2.111) 5.852 31.946 ( 0.274 -8.455 -0.192) 8.462 31.963 ( 5.690 -0.414 3.416) 6.649 31.966 ( 5.728 -0.621 3.214) 6.598 34.633 ( -2.735 4.187 -1.695) 5.280 34.648 ( -3.611 2.785 -1.215) 4.719 34.732 ( 1.021 4.170 0.643) 4.341 34.780 ( 0.504 -0.457 -0.013) 0.680 34.799 ( 0.466 0.367 0.742) 0.950 34.814 ( -0.529 -0.975 -0.540) 1.234 34.874 ( -2.185 2.858 -2.021) 4.126 34.893 ( -1.930 0.500 -1.031) 2.245 ======================= Grid point 22 (15/50) ======================= q-point: (-0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( -0.000 12.988 0.000) 12.988 1.868 ( 0.000 1.164 -0.000) 1.164 1.973 ( -0.000 1.998 0.000) 1.998 1.992 ( 0.000 2.142 -0.000) 2.142 2.135 ( -0.000 5.399 -0.000) 5.399 2.266 ( 0.000 5.898 0.000) 5.898 2.348 ( -0.000 1.102 0.000) 1.102 2.361 ( 0.000 -3.620 -0.000) 3.620 2.415 ( -0.000 -5.757 0.000) 5.757 2.428 ( 0.000 -15.070 0.000) 15.070 3.048 ( 0.000 21.162 0.000) 21.162 3.105 ( -0.000 19.077 -0.000) 19.077 3.171 ( -0.000 -12.835 0.000) 12.835 3.195 ( 0.000 -13.324 -0.000) 13.324 3.464 ( 0.000 -14.498 0.000) 14.498 3.502 ( 0.000 -12.862 0.000) 12.862 3.869 ( 0.000 10.922 0.000) 10.922 3.939 ( -0.000 8.201 -0.000) 8.201 4.024 ( -0.000 16.046 -0.000) 16.046 4.053 ( 0.000 2.888 0.000) 2.888 4.263 ( -0.000 5.745 0.000) 5.745 4.415 ( 0.000 10.172 0.000) 10.172 4.520 ( -0.000 5.718 -0.000) 5.718 4.542 ( 0.000 6.061 0.000) 6.061 4.779 ( 0.000 -4.852 -0.000) 4.852 5.109 ( 0.000 -17.821 0.000) 17.821 5.181 ( 0.000 4.687 -0.000) 4.687 5.229 ( 0.000 -2.071 0.000) 2.071 5.269 ( -0.000 -2.610 0.000) 2.610 5.385 ( 0.000 -9.496 0.000) 9.496 5.550 ( 0.000 0.657 -0.000) 0.657 5.557 ( -0.000 -2.596 0.000) 2.596 5.650 ( 0.000 13.329 -0.000) 13.329 5.708 ( -0.000 6.224 0.000) 6.224 5.898 ( 0.000 1.291 0.000) 1.291 5.991 ( -0.000 -7.527 -0.000) 7.527 6.046 ( 0.000 11.168 0.000) 11.168 6.226 ( 0.000 -2.357 -0.000) 2.357 6.336 ( -0.000 -2.499 -0.000) 2.499 6.354 ( -0.000 -1.913 -0.000) 1.913 6.559 ( -0.000 3.972 0.000) 3.972 6.563 ( 0.000 0.401 -0.000) 0.401 6.628 ( -0.000 8.735 0.000) 8.735 6.629 ( 0.000 7.462 -0.000) 7.462 6.826 ( -0.000 -1.795 -0.000) 1.795 6.835 ( 0.000 -1.202 0.000) 1.202 6.878 ( 0.000 -4.182 -0.000) 4.182 6.892 ( -0.000 -1.276 0.000) 1.276 7.021 ( 0.000 -1.421 0.000) 1.421 7.095 ( 0.000 -6.733 0.000) 6.733 7.271 ( -0.000 3.048 0.000) 3.048 7.315 ( 0.000 -0.888 -0.000) 0.888 7.457 ( 0.000 2.972 -0.000) 2.972 7.498 ( -0.000 2.363 0.000) 2.363 7.591 ( -0.000 2.614 0.000) 2.614 7.597 ( 0.000 3.038 -0.000) 3.038 7.836 ( 0.000 9.071 0.000) 9.071 7.934 ( 0.000 6.167 0.000) 6.167 8.032 ( 0.000 -1.076 0.000) 1.076 8.045 ( -0.000 2.177 0.000) 2.177 8.149 ( 0.000 2.724 0.000) 2.724 8.203 ( 0.000 -2.780 0.000) 2.780 8.257 ( -0.000 -1.037 -0.000) 1.037 8.290 ( -0.000 -2.662 0.000) 2.662 8.523 ( 0.000 13.130 0.000) 13.130 8.652 ( 0.000 11.642 0.000) 11.642 8.696 ( 0.000 0.260 -0.000) 0.260 8.751 ( -0.000 8.026 0.000) 8.026 8.808 ( 0.000 3.306 -0.000) 3.306 8.866 ( -0.000 -5.180 0.000) 5.180 8.874 ( 0.000 -0.883 -0.000) 0.883 8.905 ( 0.000 -1.009 0.000) 1.009 9.207 ( 0.000 1.545 -0.000) 1.545 9.293 ( -0.000 -4.990 0.000) 4.990 9.353 ( 0.000 -1.016 0.000) 1.016 9.442 ( 0.000 -1.765 0.000) 1.765 9.461 ( 0.000 -5.598 0.000) 5.598 9.531 ( -0.000 -5.284 -0.000) 5.284 9.558 ( 0.000 -5.090 0.000) 5.090 9.574 ( 0.000 -6.180 -0.000) 6.180 10.223 ( 0.000 1.799 0.000) 1.799 10.229 ( 0.000 1.070 0.000) 1.070 10.426 ( 0.000 1.566 0.000) 1.566 10.473 ( 0.000 -2.989 0.000) 2.989 10.528 ( -0.000 -3.658 -0.000) 3.658 10.535 ( 0.000 -4.267 -0.000) 4.267 10.822 ( 0.000 -3.530 0.000) 3.530 10.823 ( 0.000 -3.686 -0.000) 3.686 11.422 ( -0.000 8.298 0.000) 8.298 11.456 ( 0.000 6.688 -0.000) 6.688 11.482 ( 0.000 3.263 0.000) 3.263 11.493 ( 0.000 2.307 -0.000) 2.307 11.603 ( 0.000 0.335 0.000) 0.335 11.632 ( -0.000 -1.852 0.000) 1.852 11.729 ( 0.000 0.702 -0.000) 0.702 11.763 ( -0.000 -0.868 0.000) 0.868 11.895 ( 0.000 -1.738 -0.000) 1.738 11.897 ( -0.000 1.085 0.000) 1.085 11.975 ( -0.000 -6.845 0.000) 6.845 12.006 ( 0.000 -10.371 0.000) 10.371 12.153 ( -0.000 4.298 -0.000) 4.298 12.176 ( 0.000 2.962 0.000) 2.962 12.305 ( 0.000 -4.624 0.000) 4.624 12.308 ( -0.000 -5.771 -0.000) 5.771 16.446 ( -0.000 5.480 0.000) 5.480 16.453 ( 0.000 3.590 -0.000) 3.590 16.547 ( -0.000 11.217 -0.000) 11.217 16.552 ( 0.000 7.855 0.000) 7.855 16.736 ( 0.000 -5.917 0.000) 5.917 16.780 ( 0.000 -5.356 -0.000) 5.356 16.800 ( -0.000 -5.489 -0.000) 5.489 16.830 ( -0.000 -5.146 0.000) 5.146 16.955 ( 0.000 2.365 0.000) 2.365 16.966 ( 0.000 1.112 0.000) 1.112 17.208 ( 0.000 2.063 0.000) 2.063 17.216 ( 0.000 0.913 0.000) 0.913 17.261 ( 0.000 2.951 -0.000) 2.951 17.265 ( -0.000 1.447 0.000) 1.447 17.335 ( -0.000 -1.676 -0.000) 1.676 17.343 ( 0.000 -1.630 0.000) 1.630 17.736 ( -0.000 3.164 -0.000) 3.164 17.737 ( 0.000 3.267 0.000) 3.267 17.794 ( -0.000 -1.900 -0.000) 1.900 17.797 ( 0.000 -2.201 0.000) 2.201 17.875 ( 0.000 2.676 -0.000) 2.676 17.897 ( 0.000 0.766 0.000) 0.766 18.067 ( 0.000 -0.761 0.000) 0.761 18.072 ( 0.000 -1.185 0.000) 1.185 20.487 ( -0.000 47.095 0.000) 47.095 20.498 ( 0.000 46.383 -0.000) 46.383 20.985 ( -0.000 34.806 -0.000) 34.806 21.036 ( 0.000 34.466 0.000) 34.466 21.479 ( 0.000 -41.108 -0.000) 41.108 21.497 ( -0.000 -41.118 0.000) 41.118 21.684 ( 0.000 -30.445 0.000) 30.445 21.699 ( -0.000 -28.702 -0.000) 28.702 28.657 ( 0.000 5.888 0.000) 5.888 28.682 ( 0.000 1.306 -0.000) 1.306 28.688 ( -0.000 1.056 -0.000) 1.056 28.704 ( -0.000 5.684 -0.000) 5.684 28.797 ( 0.000 -6.686 0.000) 6.686 28.844 ( -0.000 -6.185 -0.000) 6.185 29.014 ( -0.000 2.954 0.000) 2.954 29.047 ( 0.000 -1.183 -0.000) 1.183 29.156 ( 0.000 3.885 0.000) 3.885 29.159 ( -0.000 8.834 -0.000) 8.834 29.273 ( -0.000 -2.947 0.000) 2.947 29.298 ( 0.000 -1.646 0.000) 1.646 29.546 ( 0.000 -4.904 -0.000) 4.904 29.623 ( -0.000 -8.974 0.000) 8.974 29.651 ( 0.000 -6.780 0.000) 6.780 29.716 ( 0.000 -10.008 0.000) 10.008 31.548 ( 0.000 -1.392 0.000) 1.392 31.549 ( 0.000 -1.486 0.000) 1.486 31.787 ( 0.000 5.307 0.000) 5.307 31.804 ( 0.000 5.243 0.000) 5.243 31.921 ( -0.000 -7.405 -0.000) 7.405 31.935 ( 0.000 -7.293 0.000) 7.293 32.043 ( 0.000 0.086 -0.000) 0.086 32.045 ( 0.000 -0.092 0.000) 0.092 34.590 ( 0.000 2.639 -0.000) 2.639 34.599 ( -0.000 1.466 0.000) 1.466 34.775 ( 0.000 3.153 0.000) 3.153 34.780 ( -0.000 3.558 -0.000) 3.558 34.784 ( -0.000 2.270 0.000) 2.270 34.817 ( -0.000 0.754 0.000) 0.754 34.837 ( 0.000 -0.053 -0.000) 0.053 34.846 ( -0.000 0.044 -0.000) 0.044 ======================= Grid point 45 (16/50) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 0.846 ( -3.352 0.000 36.847) 36.999 0.858 ( -11.447 0.000 34.165) 36.031 1.310 ( 19.799 0.000 44.001) 48.250 1.566 ( 1.513 0.000 -1.334) 2.017 1.576 ( 6.128 0.000 -0.605) 6.157 1.822 ( 6.054 0.000 12.170) 13.592 1.990 ( -1.149 0.000 -7.971) 8.053 2.044 ( 8.351 0.000 3.414) 9.022 2.099 ( -6.047 0.000 -5.629) 8.261 2.221 ( 15.013 0.000 -11.503) 18.913 2.421 ( -1.244 0.000 6.756) 6.869 2.641 ( 9.574 0.000 22.497) 24.449 2.744 ( 2.398 0.000 1.467) 2.811 2.769 ( -5.998 0.000 -4.893) 7.741 3.016 ( -14.799 0.000 -2.034) 14.938 3.025 ( -18.231 0.000 12.598) 22.161 3.246 ( -4.204 0.000 -10.169) 11.003 3.323 ( -11.849 0.000 3.279) 12.294 3.460 ( -1.035 0.000 -3.004) 3.177 3.504 ( 7.072 0.000 -2.331) 7.447 3.651 ( -2.086 0.000 -9.725) 9.946 3.766 ( 1.929 0.000 -10.071) 10.254 3.840 ( 7.207 0.000 -13.688) 15.470 3.943 ( -3.616 0.000 -17.503) 17.873 4.128 ( -17.271 0.000 1.632) 17.348 4.136 ( 31.578 0.000 -4.072) 31.839 4.492 ( 3.847 0.000 15.154) 15.635 4.554 ( -8.770 0.000 -3.306) 9.373 4.628 ( -3.892 0.000 -3.978) 5.565 4.807 ( 9.736 0.000 15.326) 18.157 4.848 ( 0.652 0.000 -4.193) 4.243 4.942 ( 0.296 0.000 -7.080) 7.086 5.054 ( 0.938 0.000 -1.031) 1.394 5.133 ( -8.619 0.000 0.016) 8.619 5.243 ( -2.345 0.000 7.602) 7.956 5.371 ( 0.111 0.000 12.521) 12.522 5.444 ( 1.707 0.000 -22.975) 23.038 5.699 ( 0.506 0.000 0.219) 0.551 5.719 ( -17.690 0.000 -12.603) 21.720 5.857 ( -9.085 0.000 -17.648) 19.850 5.962 ( 10.465 0.000 -3.016) 10.891 6.017 ( 7.024 0.000 -5.061) 8.658 6.207 ( 3.755 0.000 5.779) 6.891 6.333 ( 21.202 0.000 1.631) 21.265 6.484 ( 3.733 0.000 1.213) 3.925 6.629 ( -0.619 0.000 12.490) 12.505 6.655 ( 3.049 0.000 11.136) 11.546 6.717 ( -16.161 0.000 0.838) 16.182 6.844 ( 2.099 0.000 -7.051) 7.357 7.035 ( -10.628 0.000 2.055) 10.825 7.098 ( 5.625 0.000 10.027) 11.497 7.155 ( 6.400 0.000 -2.426) 6.844 7.246 ( -8.428 0.000 4.444) 9.528 7.478 ( 1.070 0.000 -6.949) 7.030 7.554 ( -10.401 0.000 1.746) 10.547 7.629 ( -1.793 0.000 -8.614) 8.798 7.844 ( -8.168 0.000 10.463) 13.274 7.885 ( 1.512 0.000 -11.123) 11.225 7.975 ( -11.645 0.000 -6.352) 13.264 8.007 ( 5.204 0.000 -1.526) 5.423 8.115 ( -3.470 0.000 1.937) 3.973 8.185 ( -6.818 0.000 -0.008) 6.818 8.279 ( 1.797 0.000 2.610) 3.169 8.302 ( -18.921 0.000 1.017) 18.949 8.431 ( -12.275 0.000 8.948) 15.190 8.502 ( 2.148 0.000 -8.485) 8.753 8.526 ( 5.199 0.000 -6.242) 8.124 8.643 ( 1.949 0.000 6.263) 6.559 8.655 ( 13.160 0.000 10.402) 16.774 8.780 ( -5.293 0.000 6.763) 8.588 8.790 ( -2.797 0.000 12.712) 13.016 9.002 ( 2.886 0.000 -4.980) 5.756 9.105 ( -6.852 0.000 13.523) 15.160 9.240 ( 4.401 0.000 8.069) 9.191 9.335 ( 2.027 0.000 7.184) 7.465 9.535 ( -8.802 0.000 -15.718) 18.015 9.823 ( 3.047 0.000 -12.167) 12.543 9.993 ( 17.333 0.000 13.901) 22.219 10.050 ( 23.660 0.000 -23.552) 33.383 10.345 ( 2.182 0.000 3.025) 3.730 10.402 ( 0.199 0.000 0.929) 0.951 10.542 ( -1.279 0.000 -2.319) 2.649 10.666 ( -3.163 0.000 -1.436) 3.474 10.743 ( -3.210 0.000 -3.295) 4.600 10.904 ( -5.492 0.000 3.458) 6.490 10.974 ( 3.229 0.000 -10.217) 10.715 11.079 ( 9.150 0.000 -5.043) 10.448 11.095 ( -15.838 0.000 -7.029) 17.328 11.370 ( 0.670 0.000 21.243) 21.253 11.637 ( 0.049 0.000 6.993) 6.993 11.760 ( -6.777 0.000 0.941) 6.842 11.793 ( -0.508 0.000 -1.906) 1.973 11.898 ( -3.974 0.000 10.707) 11.421 11.902 ( 4.124 0.000 1.630) 4.434 11.960 ( -1.382 0.000 -1.568) 2.090 11.998 ( 3.676 0.000 -3.059) 4.782 12.069 ( 21.893 0.000 3.952) 22.246 12.150 ( -1.601 0.000 -5.961) 6.173 12.241 ( 0.259 0.000 -2.494) 2.508 12.274 ( 9.101 0.000 -2.333) 9.396 12.334 ( -1.774 0.000 1.008) 2.041 12.406 ( 0.607 0.000 1.870) 1.966 12.446 ( 2.021 0.000 -3.487) 4.030 12.476 ( 2.226 0.000 -1.021) 2.449 15.881 ( 0.792 0.000 -0.036) 0.792 15.882 ( -1.063 0.000 -1.481) 1.824 16.015 ( -0.390 0.000 0.699) 0.800 16.083 ( -0.002 0.000 -2.155) 2.155 16.469 ( -1.208 0.000 -9.614) 9.690 16.643 ( -9.074 0.000 -10.870) 14.160 16.722 ( -7.512 0.000 -3.182) 8.158 16.759 ( 10.092 0.000 -2.488) 10.394 16.833 ( 2.380 0.000 2.748) 3.635 16.961 ( -4.891 0.000 -2.445) 5.468 16.966 ( 1.243 0.000 -1.060) 1.634 17.028 ( 2.111 0.000 -2.104) 2.980 17.033 ( 0.774 0.000 -0.706) 1.048 17.044 ( -3.100 0.000 0.592) 3.157 17.050 ( -1.460 0.000 0.550) 1.561 17.137 ( 0.875 0.000 -0.248) 0.910 17.166 ( -0.026 0.000 1.247) 1.247 17.211 ( -1.195 0.000 2.936) 3.170 17.214 ( 1.027 0.000 -0.867) 1.344 17.260 ( 0.081 0.000 -1.337) 1.340 17.311 ( -1.038 0.000 -3.072) 3.243 17.504 ( 0.263 0.000 -4.584) 4.591 17.544 ( 2.732 0.000 -2.373) 3.619 17.544 ( 5.025 0.000 -2.123) 5.455 17.954 ( -4.243 0.000 8.663) 9.646 18.069 ( -1.379 0.000 3.390) 3.660 18.122 ( -3.417 0.000 10.331) 10.882 18.168 ( 3.612 0.000 8.937) 9.639 22.922 ( 5.027 0.000 22.768) 23.316 24.201 ( -3.646 0.000 -23.447) 23.728 24.621 ( 16.965 0.000 13.749) 21.837 25.278 ( -83.633 0.000 -10.390) 84.276 28.315 ( 3.411 0.000 2.203) 4.060 28.454 ( 10.097 0.000 1.777) 10.252 28.466 ( -0.183 0.000 -3.099) 3.105 28.517 ( 0.724 0.000 -2.196) 2.312 28.868 ( -1.886 0.000 1.930) 2.698 28.891 ( -1.335 0.000 3.095) 3.371 29.084 ( 1.678 0.000 -4.133) 4.461 29.143 ( 7.827 0.000 -10.656) 13.221 29.933 ( 0.367 0.000 0.017) 0.367 29.942 ( 0.187 0.000 -0.364) 0.409 29.990 ( 0.417 0.000 -0.541) 0.683 29.999 ( -1.068 0.000 -0.424) 1.149 30.032 ( 0.811 0.000 0.192) 0.833 30.052 ( 0.280 0.000 -0.050) 0.284 30.066 ( -0.389 0.000 0.333) 0.512 30.069 ( -0.014 0.000 -0.114) 0.114 31.563 ( -0.052 0.000 1.235) 1.236 31.635 ( 0.129 0.000 -2.463) 2.466 31.693 ( 5.999 0.000 -0.074) 6.000 31.786 ( 13.559 0.000 0.179) 13.560 31.836 ( 10.909 0.000 6.285) 12.590 31.845 ( -7.662 0.000 5.191) 9.255 32.011 ( 1.296 0.000 12.853) 12.918 32.290 ( 20.150 0.000 0.751) 20.164 32.525 ( 13.636 0.000 5.086) 14.553 32.935 ( -8.826 0.000 -5.903) 10.618 33.148 ( 1.753 0.000 14.997) 15.099 34.181 ( -6.393 0.000 -19.719) 20.729 35.451 ( 1.655 0.000 1.744) 2.404 35.764 ( -4.086 0.000 -8.554) 9.480 35.871 ( -12.105 0.000 2.053) 12.278 35.918 ( 1.132 0.000 -0.130) 1.140 ======================= Grid point 46 (17/50) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 1.107 ( 5.302 0.000 19.801) 20.499 1.348 ( 17.388 0.000 20.713) 27.044 1.557 ( -8.040 0.000 4.558) 9.243 1.776 ( 13.999 0.000 -3.346) 14.393 1.839 ( 7.408 0.000 -4.850) 8.854 1.886 ( -1.731 0.000 -24.071) 24.133 2.024 ( 1.250 0.000 -16.370) 16.418 2.056 ( 11.774 0.000 -7.763) 14.103 2.186 ( 0.039 0.000 8.241) 8.241 2.339 ( -6.650 0.000 -13.682) 15.212 2.468 ( 13.003 0.000 19.034) 23.051 2.725 ( -15.117 0.000 4.470) 15.764 2.764 ( -1.060 0.000 19.069) 19.099 2.790 ( -2.182 0.000 15.646) 15.798 2.869 ( 16.092 0.000 -7.866) 17.912 3.082 ( 9.632 0.000 2.650) 9.990 3.162 ( -12.930 0.000 6.971) 14.690 3.280 ( -19.693 0.000 -12.340) 23.240 3.359 ( -16.635 0.000 1.446) 16.698 3.463 ( 14.024 0.000 13.426) 19.415 3.519 ( 2.068 0.000 2.147) 2.981 3.609 ( 5.757 0.000 1.476) 5.943 3.640 ( -15.351 0.000 -5.509) 16.310 3.776 ( 3.805 0.000 -3.264) 5.013 3.859 ( -3.156 0.000 -25.089) 25.287 4.400 ( 2.503 0.000 0.429) 2.539 4.486 ( -7.179 0.000 7.994) 10.744 4.664 ( 3.506 0.000 -9.051) 9.706 4.748 ( 1.033 0.000 3.058) 3.228 4.818 ( -8.813 0.000 4.603) 9.942 4.859 ( 16.327 0.000 -0.282) 16.330 4.964 ( -0.146 0.000 1.065) 1.075 5.010 ( 8.416 0.000 -4.653) 9.617 5.165 ( -5.069 0.000 10.266) 11.449 5.221 ( -5.389 0.000 -5.409) 7.635 5.265 ( -1.484 0.000 4.157) 4.414 5.425 ( 11.200 0.000 -5.953) 12.684 5.432 ( -12.569 0.000 -11.443) 16.998 5.595 ( -1.349 0.000 5.200) 5.372 5.849 ( 10.061 0.000 -1.699) 10.204 5.965 ( 5.669 0.000 10.036) 11.526 6.019 ( -11.768 0.000 -24.502) 27.181 6.199 ( -9.234 0.000 -3.072) 9.731 6.318 ( -0.840 0.000 4.180) 4.263 6.421 ( -10.533 0.000 9.450) 14.151 6.582 ( -11.080 0.000 -8.745) 14.116 6.787 ( -3.395 0.000 11.788) 12.267 6.874 ( 10.245 0.000 9.499) 13.971 6.958 ( 12.010 0.000 -4.101) 12.691 7.081 ( 5.172 0.000 1.053) 5.278 7.139 ( 3.813 0.000 -7.056) 8.021 7.234 ( 16.079 0.000 -7.999) 17.959 7.307 ( 16.661 0.000 8.116) 18.533 7.317 ( -10.638 0.000 -9.815) 14.474 7.558 ( -1.412 0.000 -0.302) 1.444 7.684 ( -6.721 0.000 5.653) 8.782 7.735 ( -3.173 0.000 12.353) 12.754 7.759 ( 0.987 0.000 2.114) 2.333 7.796 ( -5.466 0.000 12.792) 13.910 7.960 ( -12.174 0.000 -4.055) 12.832 8.006 ( -0.855 0.000 0.100) 0.861 8.115 ( -16.766 0.000 -3.727) 17.175 8.172 ( 5.506 0.000 -4.009) 6.811 8.272 ( -9.041 0.000 9.179) 12.884 8.378 ( 7.801 0.000 0.358) 7.809 8.469 ( 5.896 0.000 3.729) 6.976 8.636 ( 3.062 0.000 -1.198) 3.288 8.665 ( -18.286 0.000 0.509) 18.293 8.778 ( 1.101 0.000 6.087) 6.186 8.862 ( -9.123 0.000 9.117) 12.897 8.909 ( 6.500 0.000 0.453) 6.515 9.059 ( 2.587 0.000 2.414) 3.538 9.219 ( -3.823 0.000 5.677) 6.844 9.232 ( 3.128 0.000 6.102) 6.857 9.299 ( -4.233 0.000 3.554) 5.527 9.357 ( -2.831 0.000 1.739) 3.323 9.784 ( 14.766 0.000 -25.659) 29.604 10.155 ( 13.649 0.000 -18.744) 23.186 10.344 ( 3.289 0.000 -15.599) 15.942 10.451 ( 2.204 0.000 0.864) 2.367 10.505 ( 2.533 0.000 -3.553) 4.363 10.536 ( -0.663 0.000 2.341) 2.434 10.632 ( -0.141 0.000 4.118) 4.120 10.705 ( 16.171 0.000 12.301) 20.318 10.805 ( -3.092 0.000 -1.467) 3.422 10.879 ( -1.852 0.000 -7.596) 7.819 11.035 ( 7.054 0.000 3.956) 8.087 11.188 ( 5.084 0.000 -1.975) 5.454 11.607 ( -6.932 0.000 -0.463) 6.948 11.640 ( 3.891 0.000 13.507) 14.057 11.730 ( -3.971 0.000 -2.293) 4.586 11.736 ( -10.386 0.000 1.382) 10.477 11.772 ( -1.442 0.000 3.571) 3.851 11.897 ( -4.577 0.000 -1.709) 4.886 12.004 ( 3.083 0.000 2.580) 4.020 12.053 ( 5.132 0.000 -1.512) 5.350 12.122 ( 3.667 0.000 -3.796) 5.278 12.182 ( -1.336 0.000 -3.591) 3.832 12.186 ( 1.150 0.000 0.671) 1.332 12.274 ( -3.367 0.000 -5.377) 6.344 12.311 ( -1.000 0.000 0.648) 1.191 12.433 ( -0.359 0.000 1.931) 1.964 12.464 ( 3.356 0.000 -3.054) 4.538 12.534 ( 2.567 0.000 -7.299) 7.737 15.857 ( -0.402 0.000 0.058) 0.406 15.887 ( 0.553 0.000 -1.076) 1.210 15.993 ( -1.965 0.000 1.628) 2.552 16.037 ( -1.978 0.000 -2.705) 3.351 16.399 ( -3.370 0.000 -4.241) 5.418 16.490 ( -9.531 0.000 -1.513) 9.650 16.511 ( 7.553 0.000 2.565) 7.977 16.740 ( -13.722 0.000 -1.225) 13.777 16.889 ( 5.696 0.000 -2.642) 6.279 16.896 ( 1.415 0.000 3.679) 3.942 16.950 ( -1.976 0.000 0.994) 2.212 16.972 ( -2.548 0.000 0.038) 2.548 16.978 ( 0.652 0.000 -3.130) 3.197 17.033 ( -4.457 0.000 1.895) 4.844 17.038 ( -1.248 0.000 -0.530) 1.356 17.139 ( -2.224 0.000 -0.965) 2.424 17.162 ( 1.788 0.000 -2.579) 3.138 17.203 ( 0.762 0.000 1.296) 1.503 17.237 ( 0.628 0.000 -0.107) 0.637 17.252 ( 1.099 0.000 -1.672) 2.001 17.419 ( 6.721 0.000 5.114) 8.446 17.464 ( 2.520 0.000 -5.093) 5.683 17.556 ( 0.241 0.000 -5.674) 5.679 17.571 ( 1.352 0.000 -0.619) 1.487 18.020 ( 0.098 0.000 8.843) 8.844 18.113 ( -7.176 0.000 5.835) 9.248 18.156 ( 4.850 0.000 -0.182) 4.853 18.285 ( 0.822 0.000 3.203) 3.307 23.371 ( 11.339 0.000 26.745) 29.049 24.000 ( 12.406 0.000 -28.789) 31.349 24.026 ( -51.329 0.000 12.941) 52.935 25.013 ( -2.148 0.000 25.372) 25.462 28.426 ( 1.070 0.000 -3.724) 3.874 28.463 ( 7.272 0.000 1.091) 7.353 28.539 ( 2.348 0.000 0.209) 2.357 28.559 ( 3.487 0.000 -3.624) 5.029 28.810 ( -3.844 0.000 -0.584) 3.888 28.900 ( -1.846 0.000 3.371) 3.843 29.067 ( 2.534 0.000 -4.948) 5.559 29.107 ( 1.452 0.000 -8.414) 8.539 29.940 ( 0.228 0.000 -0.595) 0.637 29.943 ( 0.579 0.000 -0.002) 0.579 29.975 ( -0.821 0.000 -0.217) 0.849 29.990 ( 0.050 0.000 0.007) 0.050 30.042 ( 0.011 0.000 0.141) 0.141 30.050 ( 0.143 0.000 -0.692) 0.706 30.062 ( -0.315 0.000 0.257) 0.406 30.073 ( 0.153 0.000 0.229) 0.276 31.598 ( 1.908 0.000 1.889) 2.685 31.631 ( 1.455 0.000 -2.173) 2.616 31.684 ( -4.553 0.000 -2.263) 5.084 31.790 ( -0.670 0.000 3.169) 3.239 31.880 ( 8.072 0.000 0.816) 8.113 32.114 ( -2.615 0.000 5.212) 5.831 32.142 ( 10.574 0.000 -0.103) 10.575 32.318 ( -1.988 0.000 -7.135) 7.407 32.714 ( -0.672 0.000 -13.367) 13.384 33.212 ( 34.587 0.000 -3.742) 34.789 33.323 ( -6.740 0.000 22.411) 23.402 33.748 ( -12.009 0.000 -21.170) 24.339 35.541 ( 1.911 0.000 7.359) 7.603 35.595 ( -0.910 0.000 -8.698) 8.746 35.689 ( -11.921 0.000 7.154) 13.903 35.877 ( -4.834 0.000 2.495) 5.440 ======================= Grid point 47 (18/50) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 1.272 ( -25.607 0.000 8.215) 26.893 1.394 ( -28.278 0.000 -4.670) 28.661 1.402 ( 4.829 0.000 6.959) 8.470 1.698 ( -1.528 0.000 -15.945) 16.018 1.714 ( 9.847 0.000 -9.356) 13.583 1.936 ( -2.709 0.000 -10.306) 10.656 1.984 ( 11.804 0.000 -8.958) 14.818 2.074 ( -0.887 0.000 -12.874) 12.904 2.091 ( 1.351 0.000 5.455) 5.620 2.448 ( 15.602 0.000 1.283) 15.655 2.537 ( -40.097 0.000 -1.567) 40.127 2.674 ( 8.384 0.000 -6.981) 10.910 2.733 ( 2.045 0.000 6.678) 6.984 2.896 ( -9.498 0.000 -0.513) 9.512 2.916 ( -9.080 0.000 12.970) 15.832 3.029 ( 3.919 0.000 -9.043) 9.855 3.189 ( 12.771 0.000 11.826) 17.405 3.196 ( 10.866 0.000 -1.232) 10.936 3.333 ( -4.301 0.000 1.736) 4.638 3.338 ( -0.692 0.000 20.854) 20.865 3.499 ( -5.480 0.000 -3.902) 6.727 3.655 ( -2.155 0.000 -2.454) 3.266 3.677 ( 5.340 0.000 3.603) 6.442 3.794 ( -0.542 0.000 -2.705) 2.759 3.937 ( 17.361 0.000 -6.046) 18.384 4.397 ( -1.521 0.000 -1.354) 2.037 4.528 ( 0.013 0.000 13.203) 13.203 4.642 ( 0.801 0.000 -9.766) 9.799 4.687 ( -5.987 0.000 2.695) 6.566 4.834 ( -2.649 0.000 8.949) 9.333 4.835 ( -0.060 0.000 -5.505) 5.506 4.990 ( -4.725 0.000 -12.363) 13.235 5.144 ( -6.437 0.000 4.577) 7.898 5.147 ( 1.804 0.000 -0.750) 1.954 5.222 ( 11.041 0.000 11.057) 15.625 5.250 ( -3.419 0.000 6.482) 7.328 5.497 ( 7.653 0.000 -3.913) 8.595 5.533 ( 11.468 0.000 -9.659) 14.994 5.538 ( 7.787 0.000 -2.245) 8.104 5.839 ( -11.162 0.000 -4.692) 12.108 5.855 ( 14.156 0.000 10.195) 17.445 6.044 ( -4.460 0.000 -1.107) 4.596 6.153 ( -17.360 0.000 2.847) 17.592 6.256 ( 12.517 0.000 -0.236) 12.519 6.379 ( 12.776 0.000 -3.605) 13.275 6.628 ( 0.288 0.000 14.974) 14.977 6.660 ( -13.920 0.000 -0.462) 13.927 6.955 ( 2.369 0.000 -11.219) 11.467 6.988 ( -9.312 0.000 -14.114) 16.909 7.049 ( -0.045 0.000 10.675) 10.675 7.215 ( 2.566 0.000 -0.865) 2.708 7.273 ( -10.091 0.000 -13.437) 16.804 7.345 ( -5.226 0.000 -2.220) 5.678 7.353 ( 18.686 0.000 2.366) 18.836 7.544 ( -0.985 0.000 -13.173) 13.210 7.652 ( -4.483 0.000 10.912) 11.797 7.657 ( 4.169 0.000 5.845) 7.180 7.814 ( -7.429 0.000 13.135) 15.091 7.836 ( -16.340 0.000 -1.955) 16.457 8.001 ( 4.058 0.000 14.354) 14.917 8.036 ( 0.641 0.000 4.857) 4.899 8.092 ( 17.805 0.000 11.459) 21.174 8.171 ( 0.070 0.000 -3.218) 3.219 8.229 ( -1.449 0.000 16.442) 16.505 8.316 ( -2.931 0.000 -8.923) 9.392 8.479 ( -6.211 0.000 -13.157) 14.549 8.617 ( 1.552 0.000 10.110) 10.228 8.656 ( 2.006 0.000 0.429) 2.051 8.673 ( -11.554 0.000 -1.302) 11.628 8.856 ( -7.069 0.000 11.727) 13.693 8.958 ( 0.148 0.000 -4.630) 4.633 9.106 ( 0.287 0.000 3.380) 3.392 9.202 ( -1.277 0.000 0.210) 1.294 9.256 ( -4.250 0.000 0.278) 4.259 9.303 ( -4.710 0.000 10.684) 11.676 9.332 ( -0.336 0.000 0.836) 0.901 9.799 ( 14.337 0.000 -23.436) 27.474 10.178 ( 10.617 0.000 -23.376) 25.674 10.227 ( 5.434 0.000 -10.198) 11.555 10.347 ( -8.016 0.000 -2.258) 8.328 10.593 ( 2.928 0.000 2.335) 3.745 10.596 ( 5.594 0.000 -0.732) 5.641 10.656 ( 0.614 0.000 1.160) 1.312 10.812 ( 0.416 0.000 -0.453) 0.615 10.831 ( -13.239 0.000 -5.975) 14.525 10.846 ( 7.086 0.000 0.266) 7.091 11.028 ( -8.029 0.000 -4.996) 9.456 11.189 ( -1.835 0.000 -3.599) 4.039 11.523 ( 4.546 0.000 5.760) 7.338 11.583 ( -11.206 0.000 2.000) 11.383 11.691 ( -2.507 0.000 2.824) 3.777 11.782 ( 1.623 0.000 3.390) 3.759 11.841 ( 2.263 0.000 8.419) 8.718 11.895 ( 3.918 0.000 3.327) 5.140 11.976 ( -4.371 0.000 -4.897) 6.564 12.097 ( -0.526 0.000 -2.440) 2.496 12.125 ( 3.360 0.000 -6.538) 7.350 12.174 ( 2.038 0.000 0.696) 2.153 12.186 ( -0.479 0.000 -0.270) 0.550 12.276 ( 6.058 0.000 1.319) 6.200 12.314 ( 0.121 0.000 0.898) 0.906 12.430 ( 1.723 0.000 -6.239) 6.472 12.434 ( -1.400 0.000 1.262) 1.885 12.538 ( 3.048 0.000 -5.721) 6.482 15.869 ( 0.870 0.000 1.126) 1.423 15.901 ( 0.159 0.000 -0.860) 0.874 15.996 ( -0.498 0.000 2.532) 2.581 16.030 ( 4.314 0.000 1.032) 4.436 16.419 ( 4.561 0.000 0.354) 4.574 16.461 ( 5.948 0.000 7.614) 9.662 16.503 ( -5.956 0.000 -3.889) 7.113 16.743 ( 7.739 0.000 9.743) 12.443 16.853 ( -0.670 0.000 -7.380) 7.410 16.892 ( -1.970 0.000 -0.532) 2.040 16.959 ( -2.261 0.000 2.178) 3.140 16.991 ( 0.889 0.000 3.598) 3.706 17.011 ( 0.235 0.000 -0.585) 0.630 17.016 ( 1.585 0.000 4.621) 4.885 17.054 ( 5.597 0.000 -0.662) 5.636 17.076 ( -2.330 0.000 -0.495) 2.382 17.194 ( 2.434 0.000 -1.091) 2.668 17.220 ( -0.694 0.000 1.143) 1.337 17.221 ( -0.279 0.000 -1.667) 1.690 17.263 ( 1.111 0.000 -1.057) 1.534 17.430 ( -7.622 0.000 -2.772) 8.111 17.471 ( 3.266 0.000 -3.897) 5.085 17.549 ( 5.303 0.000 -3.619) 6.420 17.568 ( -0.178 0.000 -1.839) 1.848 18.017 ( -7.579 0.000 4.108) 8.621 18.116 ( -1.771 0.000 9.393) 9.559 18.152 ( -2.484 0.000 -4.492) 5.133 18.288 ( -3.012 0.000 0.976) 3.167 23.393 ( -28.313 0.000 2.311) 28.407 23.999 ( 18.912 0.000 -24.724) 31.128 24.010 ( 13.511 0.000 52.487) 54.198 25.018 ( -20.799 0.000 14.414) 25.306 28.434 ( 3.086 0.000 -2.184) 3.781 28.479 ( -5.106 0.000 -4.928) 7.096 28.524 ( -1.499 0.000 -2.905) 3.269 28.541 ( 1.929 0.000 -5.973) 6.277 28.818 ( 2.013 0.000 3.676) 4.191 28.901 ( -1.800 0.000 3.154) 3.632 29.070 ( 2.713 0.000 -4.456) 5.217 29.105 ( 7.024 0.000 -5.240) 8.763 29.939 ( 0.338 0.000 -0.509) 0.611 29.941 ( -0.366 0.000 -0.510) 0.628 29.979 ( 0.849 0.000 0.633) 1.059 29.991 ( 0.051 0.000 -0.123) 0.133 30.037 ( -0.397 0.000 -0.207) 0.447 30.047 ( 0.292 0.000 -0.616) 0.682 30.063 ( -0.075 0.000 0.459) 0.465 30.077 ( -0.024 0.000 0.085) 0.088 31.597 ( -2.612 0.000 -0.830) 2.740 31.628 ( 1.032 0.000 -2.545) 2.746 31.685 ( 4.219 0.000 2.884) 5.110 31.788 ( -2.463 0.000 1.820) 3.062 31.898 ( -4.045 0.000 -5.710) 6.998 32.100 ( -3.690 0.000 4.360) 5.712 32.163 ( -4.965 0.000 -8.164) 9.555 32.306 ( 7.801 0.000 -2.323) 8.139 32.712 ( 11.734 0.000 -5.974) 13.167 33.225 ( -13.759 0.000 -34.059) 36.733 33.326 ( -15.999 0.000 16.752) 23.165 33.719 ( 23.166 0.000 1.428) 23.210 35.551 ( -7.726 0.000 2.153) 8.021 35.601 ( 8.501 0.000 -3.196) 9.082 35.674 ( -0.430 0.000 13.147) 13.154 35.868 ( -0.411 0.000 4.914) 4.931 ======================= Grid point 48 (19/50) ======================= q-point: (-0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 0.850 ( -30.734 0.000 20.153) 36.753 0.900 ( -28.981 0.000 25.233) 38.426 1.275 ( -50.445 0.000 9.136) 51.266 1.536 ( 4.321 0.000 -0.173) 4.324 1.597 ( -4.254 0.000 -3.329) 5.402 1.767 ( -6.391 0.000 -0.427) 6.406 1.880 ( 12.455 0.000 -0.160) 12.456 1.969 ( -6.934 0.000 -3.094) 7.593 2.058 ( 11.110 0.000 -3.836) 11.753 2.358 ( 7.252 0.000 0.966) 7.316 2.415 ( -15.384 0.000 -9.160) 17.905 2.491 ( -2.828 0.000 -13.699) 13.988 2.820 ( -15.968 0.000 11.116) 19.457 2.888 ( 1.066 0.000 0.418) 1.145 2.952 ( 1.772 0.000 17.286) 17.376 3.141 ( 6.008 0.000 7.303) 9.457 3.327 ( -0.170 0.000 5.835) 5.838 3.343 ( 0.359 0.000 0.965) 1.029 3.469 ( 2.629 0.000 -5.406) 6.011 3.472 ( 15.435 0.000 0.820) 15.457 3.702 ( 3.529 0.000 -2.074) 4.094 3.760 ( 9.963 0.000 -4.524) 10.942 3.803 ( 13.124 0.000 -0.363) 13.129 3.852 ( 9.031 0.000 -7.546) 11.768 3.986 ( 7.230 0.000 10.454) 12.710 4.107 ( -10.041 0.000 -32.549) 34.063 4.542 ( -15.385 0.000 1.792) 15.489 4.577 ( 5.623 0.000 7.645) 9.491 4.694 ( 5.910 0.000 3.130) 6.688 4.791 ( -6.234 0.000 1.197) 6.348 4.866 ( 1.564 0.000 -2.946) 3.335 4.932 ( 6.138 0.000 -4.382) 7.541 5.051 ( -7.585 0.000 2.058) 7.860 5.202 ( 0.874 0.000 11.479) 11.512 5.234 ( -6.492 0.000 4.398) 7.842 5.319 ( -10.219 0.000 2.505) 10.522 5.580 ( 3.003 0.000 -13.901) 14.222 5.692 ( 13.681 0.000 -10.005) 16.949 5.795 ( 23.943 0.000 -3.418) 24.186 5.847 ( 14.471 0.000 9.745) 17.447 5.890 ( -5.816 0.000 -5.305) 7.872 6.049 ( 2.435 0.000 -4.384) 5.015 6.194 ( -10.537 0.000 -5.065) 11.691 6.305 ( 8.184 0.000 3.726) 8.992 6.397 ( -10.266 0.000 -12.375) 16.079 6.473 ( 0.838 0.000 8.115) 8.159 6.591 ( -9.509 0.000 -3.761) 10.226 6.770 ( -0.650 0.000 13.780) 13.795 6.994 ( 4.204 0.000 -6.295) 7.569 7.008 ( 1.727 0.000 4.005) 4.361 7.134 ( -11.829 0.000 -4.240) 12.566 7.207 ( -13.639 0.000 2.839) 13.931 7.246 ( 0.434 0.000 8.936) 8.946 7.514 ( 10.806 0.000 9.782) 14.576 7.571 ( 1.955 0.000 0.365) 1.988 7.626 ( 2.633 0.000 -9.230) 9.598 7.837 ( -1.934 0.000 7.653) 7.894 7.847 ( 13.940 0.000 -5.417) 14.955 7.999 ( 4.869 0.000 11.468) 12.459 8.053 ( 4.676 0.000 -1.272) 4.846 8.128 ( -1.734 0.000 4.659) 4.971 8.192 ( -10.572 0.000 2.214) 10.801 8.290 ( 11.045 0.000 19.263) 22.205 8.314 ( 7.510 0.000 -1.178) 7.602 8.356 ( 4.177 0.000 3.573) 5.497 8.476 ( -5.144 0.000 -0.522) 5.171 8.478 ( 4.801 0.000 -4.138) 6.338 8.642 ( -13.708 0.000 6.752) 15.281 8.673 ( -2.030 0.000 13.421) 13.574 8.706 ( -4.642 0.000 6.507) 7.993 8.718 ( -3.496 0.000 -5.392) 6.426 9.054 ( -0.900 0.000 -8.856) 8.902 9.180 ( -10.026 0.000 7.868) 12.745 9.254 ( -8.060 0.000 -0.396) 8.070 9.290 ( -4.842 0.000 1.771) 5.156 9.512 ( 18.168 0.000 2.533) 18.343 9.797 ( 5.212 0.000 -7.346) 9.007 10.029 ( -15.227 0.000 -8.391) 17.386 10.045 ( 7.992 0.000 -33.326) 34.271 10.269 ( 2.133 0.000 1.993) 2.919 10.444 ( -6.273 0.000 -0.253) 6.278 10.598 ( -2.393 0.000 -0.530) 2.451 10.698 ( 1.509 0.000 -1.050) 1.838 10.747 ( 3.385 0.000 0.717) 3.460 10.883 ( -0.246 0.000 7.966) 7.970 10.988 ( 7.416 0.000 -8.517) 11.294 11.081 ( 0.011 0.000 -10.938) 10.938 11.086 ( 12.326 0.000 13.422) 18.223 11.372 ( -15.501 0.000 9.834) 18.357 11.614 ( -3.475 0.000 2.749) 4.431 11.718 ( 2.664 0.000 10.673) 11.001 11.809 ( 0.271 0.000 -0.748) 0.795 11.860 ( -0.701 0.000 -4.730) 4.781 11.908 ( -5.463 0.000 4.850) 7.305 11.972 ( 0.148 0.000 1.895) 1.901 12.017 ( -3.026 0.000 -6.034) 6.750 12.098 ( -13.119 0.000 -16.359) 20.969 12.177 ( 5.838 0.000 -1.879) 6.133 12.222 ( 1.464 0.000 -0.197) 1.477 12.282 ( -3.443 0.000 -11.123) 11.643 12.328 ( 0.438 0.000 0.814) 0.924 12.399 ( 3.565 0.000 -1.208) 3.764 12.412 ( -2.106 0.000 0.841) 2.268 12.481 ( 1.139 0.000 -0.697) 1.336 15.878 ( -0.442 0.000 -0.622) 0.763 15.900 ( 0.727 0.000 0.150) 0.742 16.009 ( -0.305 0.000 0.496) 0.582 16.096 ( 1.120 0.000 -1.100) 1.570 16.489 ( 9.039 0.000 -2.712) 9.437 16.650 ( 12.718 0.000 3.345) 13.150 16.702 ( 8.167 0.000 5.138) 9.649 16.734 ( -1.636 0.000 -9.703) 9.840 16.853 ( -2.564 0.000 -1.529) 2.985 16.920 ( -0.177 0.000 -2.838) 2.844 16.941 ( 4.901 0.000 -0.658) 4.945 17.039 ( 0.359 0.000 0.198) 0.411 17.042 ( 0.854 0.000 1.034) 1.341 17.052 ( 1.298 0.000 1.075) 1.686 17.070 ( -0.161 0.000 1.224) 1.235 17.111 ( -0.169 0.000 0.140) 0.219 17.168 ( -1.652 0.000 1.614) 2.310 17.212 ( 0.785 0.000 -0.776) 1.104 17.242 ( -1.141 0.000 -0.161) 1.152 17.267 ( 0.523 0.000 -0.854) 1.002 17.322 ( 1.032 0.000 0.068) 1.035 17.501 ( 2.456 0.000 -1.907) 3.110 17.540 ( 0.160 0.000 -6.215) 6.218 17.548 ( 1.970 0.000 -4.225) 4.662 17.954 ( -5.536 0.000 8.157) 9.858 18.058 ( -2.372 0.000 2.800) 3.670 18.125 ( -7.420 0.000 7.863) 10.811 18.175 ( -9.410 0.000 1.322) 9.502 22.936 ( -22.671 0.000 5.386) 23.302 24.198 ( 21.909 0.000 -7.958) 23.309 24.628 ( -20.249 0.000 -8.402) 21.923 25.279 ( 50.002 0.000 69.232) 85.401 28.323 ( -4.184 0.000 -1.654) 4.499 28.436 ( -5.901 0.000 -8.380) 10.249 28.469 ( 1.845 0.000 -0.991) 2.094 28.514 ( 2.724 0.000 -2.085) 3.430 28.868 ( -1.067 0.000 3.045) 3.227 28.892 ( -2.078 0.000 2.233) 3.050 29.083 ( 2.720 0.000 -3.578) 4.494 29.151 ( 5.350 0.000 -11.485) 12.670 29.931 ( -0.102 0.000 -0.272) 0.291 29.942 ( 0.294 0.000 -0.224) 0.369 29.987 ( 0.216 0.000 -0.980) 1.003 30.006 ( 0.848 0.000 0.867) 1.213 30.023 ( -0.389 0.000 -0.763) 0.856 30.048 ( 0.224 0.000 -0.182) 0.289 30.066 ( -0.127 0.000 0.489) 0.505 30.075 ( -0.119 0.000 -0.130) 0.176 31.557 ( -1.489 0.000 0.113) 1.493 31.628 ( 1.936 0.000 -1.334) 2.351 31.701 ( -2.695 0.000 -5.098) 5.767 31.792 ( -1.191 0.000 -6.176) 6.290 31.864 ( -0.836 0.000 9.324) 9.362 31.873 ( -16.369 0.000 -13.439) 21.179 31.991 ( -11.821 0.000 4.910) 12.800 32.262 ( -11.207 0.000 -17.472) 20.757 32.520 ( -10.165 0.000 -8.579) 13.301 32.928 ( 9.314 0.000 4.926) 10.536 33.154 ( -13.707 0.000 5.575) 14.797 34.160 ( 20.748 0.000 -1.928) 20.838 35.454 ( -2.642 0.000 -0.666) 2.725 35.779 ( 9.390 0.000 -0.441) 9.401 35.853 ( 4.590 0.000 12.154) 12.992 35.900 ( -0.080 0.000 -1.216) 1.219 ======================= Grid point 49 (20/50) ======================= q-point: ( 0.00 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( 12.744 19.077 24.535) 33.590 1.301 ( -7.630 26.811 26.082) 38.174 1.390 ( -1.319 4.047 4.915) 6.502 1.577 ( 7.157 18.219 30.673) 36.386 1.847 ( -1.979 6.647 -1.882) 7.186 1.935 ( 0.291 -3.765 -4.003) 5.504 2.089 ( 5.930 14.881 -1.007) 16.051 2.176 ( -2.074 19.911 0.372) 20.023 2.334 ( 9.829 14.691 -1.452) 17.735 2.365 ( -0.177 11.000 15.753) 19.214 2.579 ( -4.147 3.273 6.787) 8.601 2.765 ( 13.909 12.192 13.423) 22.853 2.845 ( -3.821 17.028 -0.718) 17.466 2.955 ( -8.599 14.505 -4.394) 17.425 3.010 ( -6.864 20.106 -7.956) 22.686 3.289 ( -14.908 9.418 7.063) 18.996 3.393 ( -7.138 9.297 -0.159) 11.722 3.419 ( -2.184 14.307 -15.859) 21.470 3.636 ( -1.404 6.552 -4.853) 8.273 3.668 ( 4.109 11.399 -8.905) 15.037 3.716 ( 3.004 10.631 -13.867) 17.730 3.886 ( -1.563 14.779 -7.949) 16.854 4.054 ( 10.197 9.590 -8.274) 16.260 4.106 ( -2.333 19.754 -9.148) 21.895 4.220 ( 20.861 10.768 0.969) 23.496 4.318 ( -11.615 17.575 -0.171) 21.067 4.485 ( 7.625 -3.861 14.335) 16.690 4.653 ( -10.771 5.368 -1.060) 12.081 4.775 ( -5.769 1.200 -8.148) 10.055 5.007 ( -10.893 -0.523 -6.217) 12.553 5.068 ( 11.648 0.903 -0.391) 11.690 5.212 ( -1.059 2.901 -2.804) 4.171 5.244 ( 6.397 10.276 2.322) 12.325 5.387 ( -4.987 14.183 1.228) 15.084 5.487 ( -2.686 25.841 5.591) 26.575 5.573 ( -2.827 27.167 -3.156) 27.496 5.720 ( -2.067 6.382 15.345) 16.747 5.817 ( 2.762 3.502 4.834) 6.578 5.865 ( -10.776 11.145 -9.915) 18.402 5.915 ( -1.062 10.644 -4.845) 11.743 6.009 ( 6.538 6.621 -8.416) 12.547 6.148 ( 2.021 5.302 -6.971) 8.989 6.236 ( 10.646 13.310 5.167) 17.810 6.433 ( 11.270 3.768 10.378) 15.777 6.503 ( 5.775 19.247 -12.660) 23.750 6.724 ( 3.859 7.727 6.732) 10.950 6.759 ( 2.502 6.191 -7.154) 9.786 6.805 ( -6.445 -7.298 -9.630) 13.695 6.914 ( 2.484 12.012 -3.681) 12.807 6.992 ( 1.882 5.704 -7.648) 9.725 7.081 ( 0.917 0.504 4.634) 4.751 7.186 ( 1.184 -1.472 2.630) 3.239 7.303 ( 1.662 -11.538 -7.970) 14.121 7.344 ( -11.850 4.387 3.617) 13.143 7.446 ( 0.175 -1.126 2.492) 2.740 7.611 ( 3.689 -8.780 -0.161) 9.525 7.762 ( -5.618 -8.294 -7.906) 12.761 7.842 ( -3.691 0.378 -8.250) 9.046 7.952 ( -5.073 -6.103 -0.689) 7.966 8.010 ( -5.127 -4.240 -0.162) 6.655 8.082 ( -0.840 6.151 -2.418) 6.662 8.148 ( -7.875 -6.292 -7.888) 12.799 8.244 ( -1.852 -1.349 1.679) 2.841 8.287 ( -8.737 -0.470 0.852) 8.791 8.441 ( 0.102 -1.279 2.020) 2.393 8.467 ( -6.164 0.939 -5.265) 8.161 8.541 ( 1.011 1.724 -2.067) 2.876 8.614 ( 5.479 -1.642 4.410) 7.223 8.687 ( 7.767 2.171 4.071) 9.034 8.799 ( 2.838 4.606 2.911) 6.143 8.880 ( 4.685 -2.930 7.414) 9.246 8.898 ( 2.033 -3.262 8.272) 9.121 9.017 ( 2.734 -9.943 2.237) 10.552 9.082 ( 4.388 -0.988 8.461) 9.582 9.318 ( -3.105 -5.582 -5.843) 8.657 9.455 ( -7.116 6.884 0.068) 9.901 9.833 ( 1.023 -2.342 -2.157) 3.345 9.911 ( 3.230 -4.643 7.675) 9.534 10.100 ( 9.238 -6.269 -11.711) 16.180 10.416 ( 1.892 4.541 -3.922) 6.291 10.459 ( 0.934 -2.193 2.877) 3.737 10.550 ( -0.782 5.455 -2.620) 6.102 10.628 ( -0.557 1.288 2.449) 2.822 10.750 ( -1.336 -2.001 -3.659) 4.379 10.800 ( -0.378 -15.029 9.544) 17.807 10.880 ( -5.733 -3.255 3.286) 7.366 10.935 ( -1.942 -6.144 -1.967) 6.738 11.063 ( 4.614 -6.182 -2.423) 8.086 11.347 ( -0.532 0.322 6.557) 6.586 11.470 ( 6.359 -13.493 13.424) 20.068 11.663 ( 0.911 -0.201 7.546) 7.604 11.734 ( -1.398 -7.934 -0.920) 8.108 11.761 ( 2.190 -13.677 1.334) 13.915 11.864 ( -3.469 0.721 -0.124) 3.545 11.888 ( 0.785 -5.942 2.807) 6.618 11.926 ( 2.221 -4.818 0.367) 5.318 11.973 ( -4.244 2.392 2.363) 5.414 12.082 ( 1.065 -5.822 -3.803) 7.035 12.090 ( 0.855 -11.421 0.179) 11.455 12.210 ( 5.827 -5.892 1.925) 8.507 12.297 ( -0.869 -6.451 -1.091) 6.600 12.346 ( -1.669 -3.881 -0.811) 4.302 12.398 ( -0.315 0.465 1.510) 1.610 12.517 ( 1.517 5.242 -2.475) 5.992 16.162 ( 0.042 16.633 -4.373) 17.199 16.231 ( -3.438 17.987 -5.231) 19.045 16.318 ( -4.399 16.271 -5.537) 17.741 16.516 ( -1.053 14.895 -8.638) 17.250 16.639 ( -5.091 -0.631 -3.943) 6.470 16.658 ( -1.525 1.618 -3.939) 4.523 16.721 ( -4.445 3.140 -0.771) 5.497 16.790 ( 4.746 3.092 -2.743) 6.294 16.829 ( 2.972 1.172 1.911) 3.723 16.969 ( 0.885 2.549 0.631) 2.771 17.051 ( 1.868 5.320 0.827) 5.698 17.079 ( -0.522 2.311 0.073) 2.370 17.139 ( 1.116 9.323 2.229) 9.651 17.146 ( -0.110 8.828 1.679) 8.987 17.168 ( -0.966 11.027 -2.176) 11.281 17.237 ( 2.299 7.451 2.714) 8.257 17.263 ( 0.952 5.231 -0.459) 5.337 17.273 ( 0.203 8.358 -1.565) 8.506 17.361 ( 0.836 7.806 -3.062) 8.427 17.372 ( 1.674 10.350 -2.427) 10.762 17.532 ( -0.328 5.217 -5.225) 7.391 17.552 ( -0.359 4.928 -4.366) 6.594 17.629 ( 4.162 7.087 -3.144) 8.799 17.894 ( 0.517 3.850 1.295) 4.095 18.024 ( -7.301 2.414 4.040) 8.686 18.100 ( -5.718 1.142 5.207) 7.817 18.169 ( 2.333 1.711 10.670) 11.055 18.822 ( 7.686 98.055 -80.710) 127.232 22.823 ( 2.831 -9.039 19.742) 21.896 23.923 ( -2.808 -25.958 -19.682) 32.696 24.262 ( 12.880 -33.162 9.963) 36.944 24.407 ( -49.143 -60.735 21.222) 80.958 28.309 ( 2.322 -0.383 2.718) 3.596 28.440 ( 8.306 -0.979 2.664) 8.778 28.476 ( 1.010 0.786 -2.215) 2.559 28.528 ( 1.179 1.051 -2.059) 2.595 28.856 ( -0.357 -3.109 2.056) 3.745 28.867 ( 6.427 -11.254 6.455) 14.478 28.899 ( 1.055 -4.739 4.419) 6.565 29.081 ( 1.575 -0.222 -3.793) 4.113 29.422 ( 0.301 -11.142 12.200) 16.525 29.693 ( -0.574 -24.710 -1.340) 24.753 29.766 ( 2.640 -20.200 4.988) 20.974 29.910 ( -1.992 -5.616 0.032) 5.959 29.999 ( 0.238 -2.967 -0.820) 3.087 30.003 ( 0.415 0.875 0.202) 0.989 30.026 ( -0.291 -0.159 0.193) 0.383 30.054 ( 0.349 2.517 -0.729) 2.644 31.576 ( 0.010 1.561 1.696) 2.305 31.675 ( -0.694 2.029 -3.858) 4.414 31.748 ( 4.731 0.799 0.395) 4.815 31.806 ( -4.816 -0.492 -1.645) 5.113 31.939 ( -5.426 5.547 4.066) 8.760 32.024 ( 4.670 0.251 2.312) 5.217 32.061 ( 0.594 2.647 10.179) 10.534 32.409 ( 0.599 -2.875 -4.269) 5.181 33.243 ( 6.790 40.293 -8.862) 41.811 33.307 ( 8.785 43.072 -11.904) 45.542 33.432 ( 1.725 25.193 11.662) 27.815 34.275 ( -4.316 8.333 -17.071) 19.481 35.300 ( -4.589 -24.971 18.135) 31.201 35.340 ( -1.464 -17.163 8.396) 19.163 35.593 ( -3.107 -15.244 -7.108) 17.105 35.709 ( 0.354 -18.374 -2.196) 18.508 ======================= Grid point 50 (21/50) ======================= q-point: ( 0.25 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( -4.081 9.005 15.702) 18.555 1.417 ( 3.407 19.323 12.519) 23.275 1.699 ( 9.867 -1.816 9.100) 13.545 1.800 ( -0.814 1.137 -8.251) 8.368 1.935 ( 11.812 3.664 -7.417) 14.421 2.083 ( 7.281 21.850 -2.239) 23.139 2.211 ( -9.773 16.708 7.892) 20.904 2.241 ( 9.971 8.912 10.368) 16.921 2.473 ( 8.957 12.223 18.479) 23.898 2.540 ( -4.315 3.756 -3.359) 6.634 2.591 ( 1.001 26.653 -16.878) 31.564 2.636 ( -1.759 12.748 -4.935) 13.783 2.734 ( -4.430 3.752 5.605) 8.070 2.867 ( 10.379 3.272 -16.069) 19.408 3.098 ( 1.319 19.717 11.921) 23.078 3.139 ( -0.445 1.132 -9.298) 9.378 3.268 ( -13.391 9.879 6.157) 17.743 3.387 ( -7.640 7.045 -3.742) 11.046 3.467 ( 4.897 4.801 4.334) 8.113 3.505 ( -17.456 11.744 4.519) 21.518 3.705 ( 1.136 12.672 3.210) 13.121 3.792 ( 7.782 16.637 0.589) 18.377 3.873 ( -14.895 19.985 -1.422) 24.965 4.002 ( -1.240 14.335 -21.765) 26.091 4.023 ( -0.794 20.969 -4.716) 21.507 4.446 ( -2.941 5.627 6.721) 9.246 4.647 ( -3.573 -3.395 9.218) 10.452 4.684 ( 0.634 5.634 -2.817) 6.331 4.805 ( 19.176 1.951 5.123) 19.944 4.902 ( 0.521 9.818 0.452) 9.842 5.095 ( -4.048 6.330 2.525) 7.927 5.238 ( -1.424 1.070 -10.871) 11.016 5.350 ( 2.310 10.938 -1.424) 11.270 5.410 ( 0.695 17.518 -1.364) 17.585 5.472 ( 8.079 7.437 2.694) 11.307 5.545 ( -1.779 36.219 2.756) 36.368 5.591 ( -2.170 22.343 -1.413) 22.492 5.692 ( -5.539 19.039 -6.124) 20.753 5.856 ( 3.131 11.710 -2.817) 12.445 5.929 ( -0.826 26.442 -1.027) 26.475 6.000 ( 6.319 9.767 3.329) 12.100 6.169 ( -0.931 8.953 -4.058) 9.873 6.327 ( -8.343 22.487 -7.684) 25.186 6.434 ( -2.250 3.685 -10.262) 11.134 6.483 ( -4.006 7.132 2.744) 8.628 6.612 ( -14.495 4.769 -8.601) 17.516 6.712 ( 15.420 0.320 7.262) 17.047 6.922 ( 3.036 5.225 7.592) 9.703 7.008 ( 2.311 -9.018 2.656) 9.681 7.060 ( -3.766 -1.049 1.415) 4.158 7.138 ( 9.832 -0.273 -6.650) 11.873 7.182 ( 0.924 -5.560 -3.734) 6.761 7.238 ( 5.449 1.686 -0.546) 5.730 7.332 ( 3.485 1.306 0.539) 3.760 7.537 ( 6.044 -2.183 5.937) 8.749 7.548 ( -2.758 -4.699 -4.776) 7.245 7.636 ( 3.050 -3.571 10.436) 11.444 7.750 ( -6.775 -1.966 -7.418) 10.236 7.778 ( -7.912 -10.480 -2.214) 13.317 7.870 ( -2.700 -7.913 0.392) 8.370 7.980 ( 1.789 7.903 15.387) 17.390 8.145 ( -16.371 0.893 0.153) 16.396 8.197 ( -4.958 1.135 -4.087) 6.525 8.261 ( -0.887 -0.294 0.483) 1.052 8.363 ( 3.224 -1.540 4.772) 5.961 8.502 ( 8.073 0.864 0.205) 8.121 8.555 ( -0.867 -1.813 -4.317) 4.762 8.646 ( -9.727 -0.565 1.650) 9.882 8.706 ( -0.748 -4.296 -5.601) 7.099 8.831 ( 1.629 -3.417 -0.565) 3.827 8.900 ( -0.222 4.430 -2.448) 5.066 9.083 ( 2.890 -2.661 1.261) 4.126 9.138 ( 1.796 -5.565 4.847) 7.595 9.203 ( 5.114 -9.681 3.981) 11.650 9.297 ( -9.448 1.856 8.143) 12.610 9.327 ( -0.571 7.163 9.102) 11.597 9.753 ( 4.727 -2.836 -15.774) 16.709 10.058 ( 5.824 -7.567 -3.593) 10.203 10.238 ( 6.680 -10.131 -3.443) 12.614 10.415 ( 6.521 -6.489 -9.855) 13.482 10.512 ( 2.490 1.155 -1.596) 3.175 10.521 ( -0.634 -2.485 1.713) 3.084 10.583 ( -3.836 -1.558 0.912) 4.240 10.749 ( -0.718 -0.013 -0.629) 0.954 10.792 ( -3.475 -3.670 0.807) 5.118 10.887 ( 6.114 0.133 5.088) 7.955 10.980 ( 5.498 -5.321 3.005) 8.220 11.144 ( 3.489 -5.711 -0.728) 6.732 11.439 ( 0.214 -8.877 6.243) 10.855 11.564 ( -3.109 -9.163 -1.241) 9.755 11.677 ( -3.560 -5.566 -1.672) 6.815 11.741 ( -0.502 -4.101 3.028) 5.122 11.802 ( 2.506 -0.879 1.128) 2.886 11.855 ( 0.018 -6.204 0.482) 6.223 11.871 ( -2.106 -1.062 -1.903) 3.030 11.964 ( -1.295 -9.697 -0.667) 9.806 12.008 ( 0.809 -6.310 1.173) 6.469 12.043 ( 5.644 -3.873 -1.670) 7.046 12.111 ( 0.571 -12.002 1.533) 12.113 12.207 ( -3.511 -8.069 -3.211) 9.367 12.312 ( -0.816 -1.390 -0.242) 1.630 12.382 ( 2.273 -2.023 0.972) 3.195 12.435 ( 3.185 -1.387 1.345) 3.725 12.519 ( 2.371 3.268 -3.508) 5.349 16.020 ( -3.408 5.813 -1.127) 6.832 16.171 ( -11.561 11.581 0.303) 16.366 16.186 ( 2.220 9.622 0.324) 9.880 16.361 ( -3.765 14.726 0.934) 15.229 16.444 ( -3.793 9.740 -4.688) 11.456 16.533 ( -7.467 7.377 -2.207) 10.726 16.710 ( 2.735 11.839 0.526) 12.162 16.861 ( -2.013 7.680 0.550) 7.958 16.878 ( -1.146 1.445 5.589) 5.886 16.967 ( -1.142 2.944 -0.084) 3.159 17.041 ( -0.118 4.215 -2.292) 4.800 17.083 ( -1.730 6.255 -2.279) 6.878 17.119 ( 2.522 4.607 1.390) 5.433 17.149 ( -1.217 15.266 1.992) 15.444 17.178 ( -1.892 4.752 -0.597) 5.150 17.217 ( -1.950 6.788 -3.576) 7.916 17.260 ( 1.010 9.946 2.733) 10.364 17.298 ( -2.359 9.542 -2.200) 10.072 17.379 ( 6.497 19.697 -1.552) 20.799 17.409 ( 3.698 14.457 -5.682) 15.968 17.500 ( 4.190 14.561 -6.649) 16.546 17.527 ( 3.780 6.014 -2.497) 7.529 17.645 ( 1.510 7.969 -3.043) 8.663 17.708 ( -6.819 24.336 -10.140) 27.231 18.050 ( 2.077 5.024 10.862) 12.147 18.114 ( -0.971 1.539 3.429) 3.882 18.270 ( -0.483 -0.298 3.639) 3.683 18.323 ( -7.074 24.832 -5.694) 26.441 23.184 ( 8.335 -16.781 23.052) 29.706 23.679 ( -35.307 -29.366 11.485) 47.338 23.771 ( 6.789 -21.750 -22.436) 31.977 24.574 ( -0.565 -39.328 17.683) 43.124 28.438 ( 3.455 0.494 -1.405) 3.762 28.454 ( 4.819 0.175 -0.376) 4.837 28.526 ( 2.068 -0.561 -1.567) 2.655 28.573 ( 3.144 0.982 -1.846) 3.776 28.784 ( -3.250 -1.937 -2.193) 4.373 28.900 ( -2.045 0.180 3.420) 3.989 29.036 ( 3.945 -4.271 -4.950) 7.636 29.065 ( 1.902 -2.031 -4.802) 5.550 29.658 ( 8.061 -20.175 6.419) 22.655 29.704 ( 3.651 -22.497 -3.357) 23.037 29.829 ( -3.773 -11.628 -1.883) 12.369 29.873 ( 0.620 -13.295 3.991) 13.895 29.988 ( -0.382 0.110 -1.186) 1.251 30.011 ( 0.452 -2.235 -0.087) 2.282 30.026 ( -0.125 1.088 0.544) 1.223 30.048 ( -0.114 1.615 -0.597) 1.726 31.612 ( 1.468 1.378 2.198) 2.981 31.646 ( 0.808 0.559 -2.133) 2.349 31.689 ( -4.447 0.798 -1.306) 4.703 31.831 ( -0.497 -1.517 5.003) 5.252 31.926 ( 1.766 2.191 -1.043) 3.001 32.154 ( -0.700 2.099 6.536) 6.900 32.174 ( 6.848 0.226 2.054) 7.153 32.328 ( -2.690 -1.045 -6.604) 7.207 33.129 ( -0.146 35.993 -8.332) 36.945 33.560 ( 1.019 22.900 12.441) 26.081 33.599 ( 15.984 28.144 -3.017) 32.507 33.940 ( -7.742 16.458 -17.563) 25.284 35.371 ( -1.492 -14.722 6.517) 16.169 35.420 ( -5.091 -20.037 11.352) 23.586 35.452 ( -1.040 -13.005 -6.546) 14.597 35.641 ( -3.574 -20.359 -0.871) 20.688 ======================= Grid point 51 (22/50) ======================= q-point: (-0.50 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( -7.829 7.852 -2.277) 11.319 1.477 ( -7.204 7.265 12.301) 16.000 1.665 ( -5.774 6.287 -4.688) 9.739 1.800 ( -19.898 19.436 8.916) 29.209 1.982 ( -1.590 12.404 -11.262) 16.829 2.038 ( -3.349 4.530 -0.534) 5.659 2.190 ( -9.606 13.179 1.364) 16.365 2.265 ( 0.095 15.041 -10.576) 18.387 2.429 ( 3.337 19.141 1.219) 19.468 2.515 ( -1.374 5.886 1.814) 6.310 2.632 ( 2.748 11.685 2.631) 12.289 2.729 ( 13.969 5.159 -7.784) 16.802 2.751 ( -3.520 18.199 -4.534) 19.083 2.921 ( 7.010 1.474 -6.574) 9.723 2.941 ( -8.943 7.825 -1.619) 11.993 3.152 ( -1.535 11.208 -7.990) 13.850 3.263 ( 6.750 7.736 6.342) 12.068 3.301 ( 8.866 7.224 13.690) 17.839 3.348 ( -3.682 2.015 -2.258) 4.766 3.543 ( 0.488 15.928 16.341) 22.825 3.718 ( -4.556 15.898 0.931) 16.564 3.841 ( 2.895 15.274 -1.368) 15.606 3.896 ( 3.567 20.455 5.519) 21.485 3.984 ( 3.540 16.221 -2.912) 16.856 4.086 ( 14.231 14.776 -5.061) 21.129 4.493 ( -6.154 10.679 8.682) 15.076 4.573 ( -0.590 -2.714 -5.196) 5.891 4.761 ( -3.997 8.869 14.265) 17.266 4.840 ( -1.514 -1.174 5.689) 6.003 4.856 ( -11.175 1.455 -15.977) 19.552 5.077 ( 2.231 2.520 2.642) 4.279 5.293 ( 8.409 5.517 -1.199) 10.128 5.381 ( 2.790 18.111 4.833) 18.952 5.437 ( 2.019 14.187 -8.103) 16.463 5.525 ( 1.306 17.139 -1.634) 17.266 5.544 ( 5.506 17.257 -2.729) 18.319 5.600 ( 0.112 26.503 1.408) 26.541 5.696 ( 4.409 29.464 2.062) 29.864 5.832 ( -6.355 7.266 -1.433) 9.759 5.885 ( 0.169 21.748 -6.059) 22.577 5.980 ( 0.130 9.753 -0.046) 9.754 6.113 ( -6.648 14.029 -2.358) 15.703 6.233 ( 7.250 2.810 -1.311) 7.886 6.387 ( 5.388 16.177 -0.349) 17.054 6.527 ( 8.619 4.439 0.290) 9.699 6.646 ( 8.508 15.078 5.056) 18.036 6.730 ( -10.743 5.038 -0.847) 11.896 6.908 ( 0.243 0.779 -3.402) 3.498 6.985 ( -5.317 -5.636 -4.396) 8.909 7.105 ( -0.326 -4.262 -1.087) 4.411 7.157 ( 5.793 -10.207 -5.051) 12.778 7.209 ( 0.000 6.218 -1.276) 6.348 7.287 ( -4.821 -5.363 1.540) 7.374 7.327 ( 3.220 1.584 -4.980) 6.138 7.469 ( -3.648 -4.667 0.756) 5.971 7.550 ( -2.910 -8.444 5.520) 10.499 7.637 ( -8.788 -2.403 -7.439) 11.762 7.729 ( 12.884 0.782 -5.208) 13.918 7.791 ( -2.682 -12.913 11.028) 17.192 7.911 ( -9.661 0.307 9.812) 13.774 8.069 ( 5.376 1.113 2.927) 6.222 8.106 ( -4.520 1.110 10.025) 11.053 8.166 ( 10.318 0.194 0.344) 10.325 8.238 ( 5.301 2.212 6.083) 8.366 8.398 ( -1.534 1.074 -0.117) 1.876 8.455 ( -4.317 4.823 3.240) 7.239 8.542 ( -7.101 -7.306 -7.413) 12.600 8.621 ( 6.718 -3.981 1.030) 7.876 8.663 ( 3.136 -0.250 -1.149) 3.350 8.807 ( -5.758 4.415 -1.689) 7.449 8.951 ( 4.500 -0.691 0.383) 4.569 9.026 ( -2.796 -9.697 -8.198) 13.002 9.159 ( -4.950 -0.589 4.762) 6.894 9.185 ( -4.682 -5.873 -0.292) 7.516 9.327 ( -2.912 5.052 7.475) 9.480 9.390 ( 0.065 2.427 6.698) 7.125 9.749 ( 6.603 -3.761 -6.694) 10.127 10.032 ( -2.703 -9.100 -9.351) 13.325 10.229 ( 5.341 -4.141 -12.926) 14.586 10.315 ( -1.037 -6.176 -6.586) 9.088 10.552 ( 4.218 -4.513 0.909) 6.244 10.603 ( -1.043 -4.821 3.634) 6.127 10.630 ( 5.197 2.079 1.837) 5.891 10.701 ( -4.331 -4.384 -0.773) 6.211 10.784 ( 0.840 -4.432 2.098) 4.975 10.935 ( -4.210 2.271 -2.887) 5.587 10.991 ( -3.627 -3.761 -3.383) 6.224 11.129 ( -2.865 -6.367 -1.291) 7.100 11.453 ( -4.063 -4.625 3.292) 6.981 11.559 ( -1.754 -9.716 4.161) 10.714 11.617 ( 2.126 -3.136 -1.776) 4.184 11.762 ( 1.357 -7.692 0.050) 7.811 11.820 ( -1.809 -4.160 0.804) 4.608 11.854 ( -1.125 -2.687 0.295) 2.928 11.892 ( 2.863 -12.349 -3.020) 13.031 11.914 ( 2.055 2.534 3.484) 4.773 12.005 ( -2.211 -9.238 -0.426) 9.509 12.088 ( -2.631 -8.765 -2.377) 9.455 12.104 ( -1.726 -5.317 -2.220) 6.015 12.190 ( 5.992 -7.856 1.364) 9.974 12.312 ( 0.174 -3.957 0.516) 3.995 12.399 ( -1.666 -0.135 -5.535) 5.781 12.412 ( -2.119 -0.610 0.782) 2.340 12.516 ( 0.879 1.869 -3.145) 3.762 16.040 ( 1.803 8.594 2.609) 9.161 16.105 ( 4.799 12.251 2.270) 13.352 16.290 ( 2.513 4.109 7.449) 8.871 16.337 ( -1.849 10.668 6.307) 12.530 16.444 ( 5.646 8.871 0.135) 10.516 16.537 ( 7.274 14.732 4.991) 17.172 16.721 ( -3.002 11.150 -0.970) 11.588 16.812 ( 1.345 9.691 0.704) 9.809 16.889 ( -0.387 7.165 -0.664) 7.206 16.940 ( -2.435 1.859 1.026) 3.231 17.040 ( 0.005 7.523 -0.721) 7.557 17.074 ( 1.455 2.685 -1.136) 3.259 17.109 ( -1.103 4.470 1.681) 4.901 17.152 ( -1.165 8.377 -1.838) 8.655 17.180 ( 1.194 8.910 5.030) 10.301 17.212 ( -0.901 5.459 -2.110) 5.922 17.241 ( 2.855 10.426 0.512) 10.821 17.317 ( -0.063 8.152 1.147) 8.232 17.349 ( 2.550 17.289 -8.582) 19.469 17.442 ( 5.036 19.453 -5.398) 20.807 17.506 ( -1.971 5.913 -1.648) 6.447 17.563 ( 0.767 9.230 -5.784) 10.920 17.615 ( 1.705 7.173 -2.126) 7.673 17.724 ( 13.719 23.854 -0.039) 27.518 18.039 ( -8.579 3.788 4.640) 10.463 18.171 ( -5.513 1.842 -3.984) 7.047 18.246 ( 2.877 14.837 7.931) 17.067 18.304 ( 4.417 13.042 2.868) 14.065 23.197 ( -23.681 -17.565 3.303) 29.669 23.677 ( 7.350 -28.554 40.782) 50.324 23.764 ( 15.712 -21.898 -20.055) 33.594 24.581 ( -14.705 -39.157 9.366) 42.863 28.452 ( 1.859 1.501 -2.536) 3.484 28.461 ( -4.424 -0.885 -3.966) 6.007 28.516 ( 0.874 -0.424 -3.488) 3.621 28.552 ( -0.351 0.775 -4.971) 5.043 28.797 ( 3.530 -1.501 2.434) 4.544 28.894 ( -2.366 -0.383 3.222) 4.016 29.049 ( 2.284 -4.025 -5.571) 7.243 29.060 ( 3.975 -1.656 -3.728) 5.695 29.657 ( -9.116 -19.938 -4.156) 22.313 29.701 ( 0.125 -21.632 -4.793) 22.157 29.829 ( 4.352 -13.282 2.360) 14.175 29.881 ( -4.360 -14.755 1.898) 15.502 29.978 ( 1.061 2.154 -0.648) 2.487 30.018 ( 0.349 -1.542 -0.628) 1.701 30.027 ( -0.325 -0.139 0.486) 0.601 30.044 ( 0.321 1.807 -0.294) 1.859 31.607 ( -2.600 1.303 -0.208) 2.916 31.644 ( 1.568 0.834 -1.964) 2.648 31.698 ( 3.156 0.719 3.670) 4.893 31.851 ( -3.636 -1.086 5.174) 6.416 31.913 ( 0.057 1.413 -4.061) 4.300 32.151 ( -6.020 2.397 5.042) 8.210 32.178 ( -5.000 -0.324 -6.257) 8.016 32.324 ( 7.404 -0.592 -1.018) 7.497 33.124 ( 7.102 35.978 -4.151) 36.907 33.558 ( -10.872 22.853 3.511) 25.550 33.611 ( -5.437 27.734 -15.323) 32.149 33.919 ( 18.125 17.040 -0.826) 24.891 35.375 ( -4.864 -16.324 4.820) 17.702 35.410 ( -6.719 -17.584 8.492) 20.650 35.458 ( 5.750 -13.874 -1.380) 15.082 35.635 ( 2.088 -19.992 2.378) 20.241 ======================= Grid point 52 (23/50) ======================= q-point: (-0.25 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( -28.940 15.268 0.415) 32.723 1.286 ( -17.464 11.313 15.366) 25.867 1.424 ( -17.457 33.272 12.190) 39.501 1.603 ( -15.556 10.348 6.544) 19.797 1.832 ( 0.905 7.730 2.877) 8.298 1.852 ( -2.608 5.679 0.751) 6.294 2.060 ( 3.013 3.445 7.959) 9.181 2.152 ( 2.226 25.906 -12.035) 28.652 2.398 ( -13.401 16.666 -1.538) 21.441 2.461 ( -3.931 3.596 7.636) 9.311 2.500 ( -12.176 11.649 -9.242) 19.220 2.623 ( 4.365 12.799 -6.079) 14.826 2.816 ( -1.266 18.753 12.123) 22.366 3.110 ( 2.210 13.369 2.608) 13.799 3.120 ( 1.516 18.210 -3.575) 18.620 3.296 ( 9.304 11.658 7.044) 16.495 3.359 ( 7.353 1.542 15.194) 16.950 3.475 ( 5.120 11.585 -1.050) 12.709 3.600 ( 7.950 7.747 -4.258) 11.889 3.636 ( 15.269 10.184 -10.888) 21.341 3.695 ( 9.509 3.572 -3.048) 10.605 3.932 ( 5.284 11.836 -10.813) 16.880 3.995 ( 4.361 19.674 -1.203) 20.188 4.055 ( -0.696 15.073 -2.244) 15.255 4.080 ( -0.883 11.974 -9.386) 15.240 4.259 ( -1.484 16.832 -6.983) 18.284 4.595 ( -10.648 1.745 5.801) 12.251 4.701 ( 2.879 4.789 8.326) 10.028 4.877 ( 14.975 5.498 1.280) 16.003 5.030 ( -6.366 6.968 1.995) 9.647 5.071 ( 0.578 -1.230 -7.154) 7.282 5.226 ( -5.248 -3.905 8.038) 10.364 5.356 ( -3.934 15.342 -8.379) 17.918 5.383 ( -5.772 1.373 1.072) 6.029 5.469 ( -1.669 28.787 0.795) 28.847 5.547 ( -1.255 21.077 5.674) 21.863 5.678 ( 6.575 8.651 1.953) 11.040 5.725 ( 2.000 9.666 -0.037) 9.871 5.913 ( 1.132 18.330 -1.514) 18.428 5.938 ( 4.101 8.609 -2.060) 9.756 6.073 ( 6.926 12.241 4.501) 14.767 6.081 ( -5.350 3.635 -6.719) 9.327 6.146 ( 6.639 -2.672 2.938) 7.736 6.447 ( -9.539 6.498 -10.359) 15.509 6.556 ( 1.064 21.342 -15.222) 26.236 6.664 ( 1.530 13.264 -3.397) 13.778 6.720 ( 7.001 11.826 -3.902) 14.286 6.818 ( 1.771 -3.469 1.188) 4.073 6.854 ( -0.963 6.181 -3.351) 7.096 7.041 ( 3.509 -6.201 -2.553) 7.569 7.114 ( 6.596 -1.275 1.621) 6.911 7.198 ( -6.873 0.342 -7.957) 10.520 7.337 ( 0.674 2.573 7.211) 7.686 7.420 ( -6.816 -8.100 0.705) 10.610 7.463 ( 3.688 -4.836 7.521) 9.672 7.565 ( -3.854 -2.085 -7.042) 8.294 7.742 ( 13.009 -6.858 8.455) 16.963 7.810 ( 13.031 -4.346 -5.112) 14.657 7.960 ( 4.134 -5.673 5.407) 8.860 8.002 ( 7.497 0.956 2.357) 7.916 8.082 ( -0.900 -0.991 0.795) 1.557 8.180 ( 1.328 -3.417 0.452) 3.694 8.253 ( 7.931 -4.216 1.611) 9.125 8.312 ( -2.086 1.747 2.734) 3.857 8.417 ( -2.698 3.182 2.157) 4.696 8.483 ( 3.665 -5.758 5.970) 9.068 8.513 ( 2.067 1.137 1.465) 2.777 8.573 ( 3.815 -0.651 1.524) 4.159 8.714 ( -2.639 3.882 -2.483) 5.310 8.727 ( -5.943 -5.260 -2.578) 8.345 8.771 ( -15.205 6.590 0.075) 16.572 8.853 ( -1.732 0.007 -1.106) 2.055 9.122 ( -9.964 -6.485 2.073) 12.068 9.151 ( -1.602 -3.701 -7.490) 8.507 9.372 ( 1.161 7.440 10.620) 13.019 9.457 ( 3.627 -7.538 -8.368) 11.832 9.783 ( -1.903 1.014 7.483) 7.788 9.851 ( 0.712 -3.968 -7.442) 8.463 10.144 ( -1.676 -8.978 -5.634) 10.731 10.349 ( 7.757 2.785 -3.893) 9.115 10.482 ( -5.653 3.109 -2.915) 7.079 10.614 ( -0.896 -4.473 -0.254) 4.569 10.639 ( -0.370 1.255 1.603) 2.069 10.741 ( 2.407 -1.226 0.321) 2.720 10.798 ( -5.993 -10.235 7.470) 14.017 10.910 ( -2.556 -2.330 3.898) 5.212 10.975 ( 5.344 -3.687 -1.328) 6.627 11.020 ( -3.173 -6.621 -4.069) 8.394 11.350 ( -7.200 -1.523 3.992) 8.372 11.505 ( -13.473 -11.327 0.273) 17.604 11.609 ( -2.146 -3.674 3.017) 5.216 11.739 ( -0.309 -14.697 -0.373) 14.705 11.803 ( -5.582 -4.494 -0.905) 7.223 11.807 ( -0.260 -3.175 3.827) 4.979 11.912 ( 1.568 -5.921 -2.419) 6.586 11.937 ( -2.934 -1.884 4.076) 5.364 11.978 ( -0.102 0.749 2.551) 2.660 12.056 ( 1.450 -9.403 -0.803) 9.548 12.089 ( 1.973 -3.609 -3.270) 5.255 12.200 ( -3.277 -7.281 -3.815) 8.849 12.305 ( 1.737 -7.096 -0.525) 7.324 12.338 ( 1.410 -4.715 1.435) 5.126 12.410 ( -1.812 1.481 1.103) 2.587 12.512 ( 1.755 4.694 -2.236) 5.488 16.158 ( 4.935 19.764 -1.501) 20.426 16.221 ( 6.045 19.007 -1.607) 20.010 16.380 ( 2.273 19.490 1.119) 19.654 16.456 ( 10.508 4.830 0.864) 11.597 16.608 ( 3.117 -0.825 -2.279) 3.948 16.668 ( 4.316 -1.930 2.645) 5.417 16.772 ( 1.290 3.599 -5.272) 6.513 16.816 ( 3.698 6.446 6.708) 10.011 16.871 ( -4.180 5.651 -3.376) 7.798 16.910 ( -0.545 5.552 -1.188) 5.704 17.004 ( 1.962 6.711 -3.474) 7.807 17.068 ( 1.008 3.267 -0.274) 3.430 17.126 ( 0.278 9.943 1.342) 10.037 17.139 ( -2.412 4.179 1.148) 4.960 17.189 ( 1.445 6.198 -0.793) 6.413 17.229 ( -3.544 7.959 -0.254) 8.716 17.261 ( 0.786 9.162 -0.194) 9.198 17.271 ( 1.238 3.751 -1.759) 4.324 17.371 ( 2.924 7.071 -3.616) 8.464 17.408 ( -2.163 13.588 -2.558) 13.995 17.527 ( 4.694 5.452 -0.813) 7.240 17.561 ( 3.513 5.366 -2.065) 6.738 17.621 ( 1.509 6.228 -4.993) 8.123 17.883 ( -0.464 3.615 0.105) 3.646 18.036 ( -1.260 2.899 7.055) 7.731 18.079 ( -3.058 0.849 7.780) 8.402 18.183 ( -9.563 1.315 3.612) 10.307 18.824 ( 66.414 97.093 -45.427) 126.101 22.833 ( -18.737 -9.493 6.213) 21.904 23.922 ( 18.578 -25.444 -7.759) 32.446 24.265 ( -14.658 -34.996 -3.253) 38.081 24.413 ( 4.497 -59.083 51.335) 78.398 28.318 ( -4.010 -0.274 -0.299) 4.030 28.427 ( -7.001 -0.731 -6.963) 9.902 28.478 ( 1.504 0.942 -1.185) 2.134 28.520 ( 2.686 0.583 -2.165) 3.498 28.842 ( -5.575 -8.369 0.178) 10.058 28.874 ( -2.301 -0.623 2.292) 3.307 28.924 ( -7.661 -9.671 -2.646) 12.618 29.082 ( 2.538 -0.298 -3.372) 4.230 29.416 ( -10.698 -10.952 5.884) 16.402 29.684 ( 1.329 -24.350 0.170) 24.387 29.777 ( -5.736 -21.068 -0.303) 21.837 29.908 ( 1.019 -6.953 1.962) 7.296 29.993 ( 0.423 3.081 0.279) 3.122 30.008 ( 0.053 -3.917 -1.332) 4.137 30.028 ( -0.192 -0.088 0.345) 0.405 30.051 ( 0.732 2.559 -0.568) 2.721 31.574 ( -1.302 1.571 0.865) 2.216 31.671 ( 3.381 1.941 -1.155) 4.066 31.765 ( -2.917 1.357 -5.224) 6.135 31.812 ( 3.375 -0.401 3.490) 4.871 31.940 ( -0.453 4.001 8.416) 9.330 32.022 ( -5.087 -0.042 -2.874) 5.843 32.052 ( -8.536 3.573 3.656) 9.950 32.409 ( 3.548 -2.743 -2.661) 5.215 33.259 ( 4.506 35.668 -4.576) 36.242 33.274 ( 5.822 47.075 -19.018) 51.104 33.443 ( -10.210 25.974 3.343) 28.108 34.258 ( 17.277 8.639 -2.908) 19.534 35.300 ( -14.265 -27.405 13.305) 33.639 35.338 ( -5.453 -14.093 4.439) 15.749 35.602 ( 7.630 -15.933 -0.750) 17.682 35.698 ( 2.080 -17.654 -1.405) 17.831 ======================= Grid point 53 (24/50) ======================= q-point: ( 0.00 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( 2.249 9.687 7.174) 12.262 1.577 ( -2.811 11.577 9.980) 15.541 1.767 ( -10.845 -2.859 10.848) 15.604 1.900 ( 5.643 30.532 4.146) 31.325 2.026 ( -10.115 9.529 6.210) 15.221 2.145 ( 1.111 2.038 11.322) 11.558 2.305 ( -6.655 17.193 9.154) 20.583 2.391 ( 4.103 10.344 5.187) 12.278 2.599 ( 2.945 3.915 0.154) 4.902 2.635 ( 6.294 22.521 2.658) 23.534 2.774 ( -4.938 10.055 -2.438) 11.464 2.939 ( 10.695 6.217 6.382) 13.920 3.215 ( -1.079 2.811 -4.457) 5.378 3.278 ( -0.319 18.952 -7.705) 20.461 3.400 ( -7.147 0.173 -5.132) 8.801 3.480 ( -4.712 17.509 -11.355) 21.394 3.592 ( -2.688 2.277 -14.295) 14.722 3.651 ( 0.126 1.904 -5.562) 5.881 3.737 ( 3.389 3.287 -1.388) 4.921 3.820 ( -7.667 15.412 -1.681) 17.295 4.089 ( -2.043 18.301 -2.403) 18.571 4.140 ( -2.814 2.967 -6.983) 8.092 4.282 ( 12.152 7.313 -13.550) 19.615 4.423 ( -0.204 5.754 -1.498) 5.949 4.552 ( 9.576 14.491 1.033) 17.400 4.568 ( 5.642 -1.312 0.258) 5.799 4.671 ( -0.486 22.589 3.281) 22.832 4.778 ( -13.090 12.220 1.473) 17.968 4.933 ( -9.149 1.536 7.793) 12.116 4.953 ( -9.024 13.724 8.032) 18.283 5.079 ( -3.916 14.496 6.866) 16.511 5.251 ( 3.660 7.939 6.629) 10.971 5.369 ( 8.133 6.380 1.004) 10.386 5.517 ( 9.884 -5.554 7.627) 13.664 5.653 ( -0.189 5.982 -1.599) 6.195 5.800 ( 6.272 0.660 -1.888) 6.583 5.929 ( 4.055 2.312 10.896) 11.854 5.968 ( 4.124 8.590 1.938) 9.724 6.046 ( -3.611 9.432 -2.424) 10.387 6.190 ( 4.358 0.483 -3.807) 5.807 6.360 ( -5.436 18.390 -4.273) 19.647 6.464 ( -0.902 15.421 -3.437) 15.825 6.504 ( 1.597 10.588 -5.753) 12.155 6.550 ( 4.678 5.965 9.518) 12.168 6.604 ( -0.300 13.651 10.191) 17.038 6.769 ( -0.286 7.150 -2.338) 7.528 6.895 ( 2.065 5.676 -2.046) 6.377 6.939 ( -5.166 -7.861 -8.612) 12.754 7.001 ( -1.500 0.043 -5.700) 5.894 7.049 ( -2.868 13.552 -1.027) 13.890 7.113 ( 3.686 2.369 -5.128) 6.745 7.235 ( -1.352 -0.659 -2.652) 3.049 7.288 ( 0.260 1.482 -2.671) 3.066 7.415 ( 8.760 -1.103 -3.900) 9.652 7.473 ( 0.396 2.915 -0.294) 2.956 7.484 ( 0.831 -0.558 8.068) 8.130 7.623 ( -7.273 4.064 -10.449) 13.364 7.766 ( -1.919 -0.513 -3.075) 3.661 7.896 ( 2.673 -4.569 -1.401) 5.476 7.931 ( 7.974 -1.471 -5.562) 9.833 8.046 ( -3.842 5.209 0.742) 6.515 8.173 ( -3.151 -4.609 2.133) 5.977 8.234 ( -4.476 2.381 -6.043) 7.888 8.343 ( -11.517 4.642 -6.812) 14.163 8.442 ( 1.073 0.922 -1.753) 2.253 8.462 ( 6.006 -2.596 7.645) 10.063 8.575 ( 11.308 4.293 3.767) 12.668 8.667 ( -1.101 -2.001 -2.189) 3.163 8.699 ( 2.217 5.034 -11.296) 12.564 8.790 ( -1.654 1.824 2.570) 3.559 8.861 ( 4.999 -1.726 -1.421) 5.476 8.914 ( 3.282 2.994 6.157) 7.593 9.047 ( 0.597 7.033 9.350) 11.715 9.131 ( -2.135 2.483 -5.883) 6.733 9.230 ( 3.926 2.838 11.346) 12.337 9.570 ( -11.079 -2.232 6.089) 12.837 9.653 ( 3.656 -13.058 7.631) 15.560 9.814 ( -5.149 -6.069 4.907) 9.350 9.885 ( 0.994 -6.419 -0.393) 6.507 10.313 ( -2.814 -16.132 1.985) 16.496 10.415 ( -1.108 -3.941 1.218) 4.271 10.474 ( -2.015 -6.708 -5.693) 9.026 10.587 ( -6.542 -5.632 -0.885) 8.678 10.666 ( -3.848 -5.041 -1.851) 6.606 10.730 ( 7.031 0.577 -0.541) 7.076 10.805 ( 0.282 -4.955 -0.919) 5.047 10.839 ( 1.318 -11.015 0.126) 11.094 10.867 ( 5.288 -3.121 0.336) 6.150 11.325 ( 3.645 -2.462 2.148) 4.895 11.351 ( -1.177 -7.708 1.019) 7.864 11.458 ( 0.234 -1.588 3.110) 3.499 11.463 ( -0.114 -9.828 3.469) 10.423 11.666 ( 2.365 -0.964 6.218) 6.722 11.769 ( -3.181 -2.817 -1.707) 4.579 11.797 ( -2.968 -7.326 -2.269) 8.223 11.864 ( 0.821 -3.624 -0.204) 3.721 11.912 ( -1.235 -7.364 1.682) 7.654 11.964 ( -0.962 -3.131 -1.372) 3.551 12.080 ( 0.104 -1.261 -1.993) 2.360 12.080 ( 2.439 -1.999 -2.592) 4.082 12.181 ( 3.113 1.046 4.185) 5.320 12.339 ( -0.517 -1.255 2.432) 2.785 12.380 ( -1.928 -3.040 0.989) 3.733 12.606 ( 4.621 2.182 -8.447) 9.873 16.311 ( -8.383 1.178 -8.855) 12.250 16.347 ( -2.560 2.789 -9.745) 10.455 16.509 ( 0.941 4.116 -5.210) 6.706 16.532 ( -1.180 -1.584 -3.179) 3.743 16.689 ( -1.210 3.315 1.594) 3.872 16.767 ( 2.275 3.254 -0.601) 4.015 16.804 ( 1.184 1.816 7.186) 7.506 16.939 ( 0.055 5.499 -5.454) 7.745 16.973 ( -3.212 5.441 -9.695) 11.572 17.065 ( -0.508 3.088 2.080) 3.758 17.101 ( 1.687 5.372 1.258) 5.769 17.154 ( 0.626 2.442 -1.189) 2.787 17.280 ( -5.059 6.843 -1.035) 8.573 17.317 ( -3.719 3.545 0.577) 5.171 17.364 ( -1.899 5.431 0.231) 5.758 17.368 ( 0.476 4.733 3.057) 5.654 17.399 ( 0.143 5.461 2.721) 6.103 17.505 ( 5.053 6.351 -0.680) 8.144 17.581 ( 1.332 5.023 -4.345) 6.774 17.609 ( 6.689 4.210 -2.524) 8.297 17.781 ( 0.975 12.549 -4.896) 13.506 17.830 ( 1.543 7.975 -3.178) 8.722 17.952 ( 1.990 9.361 5.952) 11.271 17.975 ( 5.755 9.384 4.040) 11.726 18.206 ( 2.550 29.103 7.657) 30.201 18.305 ( -11.656 37.531 4.654) 39.574 18.496 ( -2.743 46.697 22.614) 51.957 20.315 ( 4.261 47.932 -69.313) 84.380 22.574 ( -0.815 -14.428 11.899) 18.719 23.147 ( -12.889 -46.222 9.554) 48.927 23.310 ( -7.906 -42.078 -0.855) 42.823 23.422 ( 8.109 -46.405 2.964) 47.201 28.307 ( 0.746 0.270 3.667) 3.752 28.417 ( 7.776 -1.265 6.121) 9.977 28.499 ( 0.953 1.399 -2.062) 2.668 28.561 ( 1.400 2.015 -1.552) 2.903 28.671 ( 2.231 -2.558 7.491) 8.225 28.847 ( -2.670 0.078 -0.634) 2.746 28.906 ( -0.176 1.231 3.168) 3.403 29.087 ( 0.825 0.920 -3.526) 3.737 29.267 ( -0.037 -14.858 1.520) 14.936 29.324 ( 0.069 -3.374 0.245) 3.383 29.380 ( 4.067 -13.007 8.363) 15.989 29.747 ( -6.165 -9.320 -0.115) 11.175 29.852 ( 2.897 -8.519 -0.148) 8.999 29.990 ( -1.298 -4.424 0.463) 4.633 30.048 ( 0.671 -0.272 -1.227) 1.425 30.088 ( 0.355 -0.749 -1.782) 1.965 31.618 ( 0.322 2.219 1.058) 2.479 31.694 ( -2.015 0.023 -3.347) 3.907 31.744 ( 1.904 -0.638 0.787) 2.157 31.792 ( -4.103 -0.753 -1.752) 4.525 31.965 ( -2.331 -1.982 1.562) 3.435 31.978 ( 3.880 -3.719 1.980) 5.728 32.063 ( 1.390 -2.204 8.057) 8.467 32.303 ( 0.059 -6.844 -1.820) 7.082 33.942 ( -3.075 30.671 0.887) 30.837 34.005 ( -0.485 27.517 5.831) 28.132 34.142 ( 7.855 29.730 -11.491) 32.827 34.483 ( -1.015 10.735 -11.115) 15.486 34.887 ( -1.119 -10.517 15.113) 18.446 35.081 ( -0.616 -11.245 1.237) 11.329 35.222 ( -1.682 -18.139 -3.680) 18.585 35.275 ( -1.253 -20.567 -3.951) 20.980 ======================= Grid point 54 (25/50) ======================= q-point: ( 0.25 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( 3.466 -6.271 19.400) 20.681 1.612 ( -13.584 4.509 12.361) 18.912 1.882 ( -9.966 4.748 -4.323) 11.856 1.928 ( 1.358 4.291 -14.438) 15.123 2.084 ( 11.441 2.722 28.292) 30.639 2.129 ( -5.343 21.380 8.340) 23.563 2.417 ( 3.276 -4.411 19.853) 20.599 2.582 ( 10.559 11.792 -9.646) 18.536 2.591 ( 1.520 5.527 5.044) 7.635 2.697 ( -3.042 -0.080 -25.804) 25.983 2.846 ( -3.098 10.410 11.265) 15.648 2.896 ( 0.610 21.080 0.576) 21.096 2.982 ( -3.184 4.240 -10.419) 11.691 3.204 ( -4.543 8.354 -11.777) 15.137 3.344 ( 7.782 15.422 -8.879) 19.423 3.379 ( 2.379 8.560 4.117) 9.792 3.438 ( 1.261 1.852 -6.121) 6.518 3.565 ( -12.696 17.792 5.702) 22.589 3.656 ( -19.154 2.912 -6.731) 20.510 3.703 ( -3.502 14.932 4.731) 16.050 3.941 ( 6.866 9.115 7.760) 13.800 4.136 ( -3.676 7.654 8.413) 11.953 4.219 ( -8.433 7.557 6.029) 12.829 4.385 ( 12.221 14.684 -16.171) 25.029 4.449 ( -8.197 18.064 -14.379) 24.500 4.697 ( 6.784 18.435 -3.324) 19.923 4.728 ( 6.726 7.252 4.111) 10.711 4.877 ( 1.552 14.927 10.418) 18.269 4.941 ( 1.332 10.310 5.105) 11.581 5.012 ( 3.483 4.547 6.750) 8.853 5.130 ( -4.335 7.524 5.412) 10.231 5.353 ( -2.181 15.684 5.487) 16.759 5.527 ( -4.632 10.079 -10.790) 15.475 5.573 ( 12.515 11.702 1.304) 17.183 5.731 ( 11.897 15.680 -7.067) 20.913 5.915 ( 8.593 -2.775 -8.336) 12.289 6.005 ( -0.505 8.759 3.423) 9.418 6.111 ( 3.345 8.944 -6.436) 11.516 6.146 ( 1.876 16.150 5.850) 17.279 6.156 ( 0.795 15.714 -5.222) 16.579 6.272 ( -1.618 1.627 5.017) 5.517 6.378 ( -0.113 0.927 -2.877) 3.024 6.463 ( 7.122 4.699 1.303) 8.631 6.551 ( -11.937 -1.862 2.849) 12.413 6.638 ( -0.587 4.783 -5.239) 7.118 6.739 ( -4.976 0.654 1.134) 5.145 6.769 ( -4.498 2.611 -5.549) 7.606 6.874 ( -0.162 1.727 -3.575) 3.973 7.022 ( -0.687 8.325 4.411) 9.446 7.112 ( 4.592 -0.864 3.149) 5.635 7.170 ( 0.984 9.552 2.838) 10.013 7.231 ( 3.909 2.190 -0.070) 4.481 7.243 ( 4.792 -0.838 -5.857) 7.614 7.352 ( -4.035 1.761 -4.396) 6.221 7.427 ( -6.502 2.662 0.078) 7.026 7.546 ( -1.068 -1.616 4.100) 4.534 7.573 ( 2.475 0.346 -1.930) 3.157 7.700 ( -0.446 6.222 1.839) 6.503 7.755 ( 7.808 7.095 -3.842) 11.228 7.959 ( 2.734 6.992 -6.559) 9.969 8.100 ( -10.382 -3.141 4.073) 11.586 8.131 ( 1.941 -2.086 -1.809) 3.375 8.195 ( -2.500 7.582 4.392) 9.112 8.341 ( -0.101 2.439 -2.184) 3.276 8.350 ( 0.398 1.571 -1.413) 2.150 8.495 ( -1.393 -1.604 -5.795) 6.172 8.596 ( -2.635 0.204 -1.710) 3.148 8.632 ( 1.133 -0.869 -5.410) 5.595 8.703 ( 0.214 5.313 0.846) 5.384 8.772 ( 5.318 -0.961 -1.574) 5.629 8.926 ( -1.739 -7.016 -1.064) 7.306 8.977 ( 2.729 -3.889 -1.808) 5.083 9.047 ( 1.922 6.025 0.778) 6.372 9.242 ( 5.248 9.420 8.085) 13.478 9.389 ( -8.670 5.518 4.151) 11.084 9.471 ( -0.353 4.428 9.435) 10.428 9.659 ( -3.892 -6.143 -5.034) 8.844 9.884 ( 7.531 -9.137 4.198) 12.563 10.015 ( 2.469 -9.898 10.077) 14.340 10.182 ( -2.193 -17.069 -7.086) 18.611 10.355 ( -1.636 -8.423 -0.501) 8.595 10.414 ( -10.147 -9.543 1.621) 14.023 10.548 ( -1.578 -15.561 4.983) 16.415 10.608 ( 3.913 0.351 -0.163) 3.932 10.732 ( -3.101 -3.674 -0.769) 4.869 10.772 ( -1.239 -7.459 -1.499) 7.708 10.951 ( 7.829 -0.187 -3.636) 8.634 10.986 ( 5.948 -6.108 -1.191) 8.608 11.312 ( -0.647 -3.274 -0.994) 3.482 11.416 ( 0.200 -3.092 2.157) 3.775 11.461 ( -0.718 -11.686 1.121) 11.761 11.566 ( 2.485 -10.003 3.003) 10.735 11.710 ( -0.443 -6.362 -1.628) 6.582 11.758 ( 2.354 -5.157 0.196) 5.672 11.826 ( 5.595 -2.712 2.717) 6.785 11.874 ( -0.830 -0.883 -0.139) 1.220 11.890 ( -2.916 -6.878 -0.422) 7.482 11.935 ( 0.256 -2.366 1.278) 2.701 12.009 ( -1.049 1.090 -5.567) 5.769 12.068 ( -0.391 -3.230 0.345) 3.271 12.303 ( -1.300 -0.227 -2.734) 3.036 12.336 ( 1.610 -3.115 2.299) 4.193 12.387 ( 3.010 -3.445 3.366) 5.679 12.565 ( -0.306 -0.614 -6.891) 6.925 16.125 ( -2.221 5.897 1.613) 6.504 16.252 ( 0.515 2.511 -1.608) 3.026 16.296 ( -13.150 4.500 -1.032) 13.937 16.442 ( -9.097 2.434 -0.223) 9.420 16.605 ( 0.256 5.083 -3.314) 6.073 16.762 ( -2.325 6.251 -3.751) 7.652 16.858 ( -0.132 2.982 3.200) 4.376 16.904 ( 1.524 1.851 5.450) 5.954 16.973 ( 1.675 1.663 -2.279) 3.281 17.076 ( -6.094 2.025 3.811) 7.467 17.096 ( 3.826 3.849 -1.532) 5.639 17.157 ( 2.096 1.236 -1.607) 2.916 17.223 ( -3.497 4.206 -0.731) 5.519 17.249 ( -0.668 1.492 3.796) 4.133 17.297 ( -4.166 2.769 -2.628) 5.651 17.314 ( -5.749 4.397 2.063) 7.526 17.492 ( 3.040 6.989 2.072) 7.898 17.529 ( 3.216 6.399 -4.528) 8.473 17.601 ( 4.613 5.230 -4.727) 8.424 17.696 ( 3.699 6.453 -0.428) 7.450 17.801 ( 4.784 7.677 -1.347) 9.146 17.910 ( -0.832 13.454 -2.266) 13.669 17.943 ( 2.664 18.076 -5.189) 18.994 18.056 ( 0.923 10.176 -1.661) 10.352 18.232 ( -0.536 13.325 4.618) 14.113 18.595 ( 17.869 50.779 15.064) 55.900 18.627 ( -4.473 52.934 20.339) 56.884 19.390 ( -24.900 57.880 -41.660) 75.536 22.747 ( 2.929 -24.023 14.279) 28.099 22.976 ( -17.692 -35.381 9.941) 40.787 23.173 ( 4.835 -34.251 -13.898) 37.278 23.571 ( 1.141 -53.265 6.054) 53.620 28.435 ( 6.245 0.318 3.097) 6.978 28.495 ( 3.358 2.679 -3.466) 5.520 28.539 ( 1.190 2.188 -1.678) 3.004 28.597 ( 2.688 1.236 -2.058) 3.604 28.763 ( -1.877 0.543 -3.954) 4.411 28.909 ( 9.806 -6.551 3.893) 12.420 28.919 ( -2.351 1.929 3.294) 4.483 29.047 ( -0.321 -0.027 -4.474) 4.486 29.335 ( 3.863 -12.499 -0.266) 13.086 29.362 ( 4.989 -8.502 0.841) 9.894 29.548 ( -0.754 -13.565 5.934) 14.826 29.579 ( -5.068 -13.034 -3.485) 14.412 29.909 ( 0.757 -6.573 3.372) 7.427 29.962 ( -1.364 -4.790 -0.294) 4.989 30.034 ( -0.566 -2.001 -1.419) 2.517 30.068 ( -0.027 -1.351 -1.332) 1.897 31.633 ( -0.608 -0.648 -1.274) 1.553 31.652 ( 0.787 1.270 1.819) 2.354 31.705 ( -3.095 0.715 -0.831) 3.284 31.775 ( -1.487 -3.687 4.321) 5.872 31.931 ( 1.104 -0.453 -3.309) 3.517 32.128 ( 7.259 -4.296 1.092) 8.506 32.156 ( -1.091 -1.459 6.837) 7.076 32.252 ( -2.037 -5.868 -4.549) 7.699 33.898 ( -1.160 33.292 -0.723) 33.321 34.062 ( -2.619 23.884 8.439) 25.466 34.191 ( 8.129 24.752 -6.569) 26.868 34.319 ( -1.987 17.946 -10.539) 20.906 35.029 ( -0.933 -13.666 9.671) 16.768 35.077 ( -2.741 -13.262 3.527) 13.994 35.131 ( -2.093 -15.802 -2.691) 16.165 35.182 ( -2.050 -20.413 -3.344) 20.787 ======================= Grid point 55 (26/50) ======================= q-point: (-0.50 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( -16.056 -7.242 8.784) 19.683 1.568 ( -1.263 7.455 7.681) 10.778 1.782 ( 3.196 8.013 14.082) 16.515 2.015 ( -17.932 4.200 9.838) 20.880 2.149 ( -5.054 8.807 6.436) 12.022 2.239 ( 6.444 5.509 3.453) 9.154 2.357 ( -3.886 2.925 -9.817) 10.956 2.399 ( -6.050 4.730 -10.109) 12.695 2.648 ( -1.861 6.119 -9.653) 11.579 2.707 ( 4.419 7.480 10.072) 13.301 2.854 ( -5.485 20.760 10.434) 23.874 2.908 ( 12.007 2.812 -11.592) 16.924 3.099 ( 5.449 9.897 -9.479) 14.748 3.184 ( 2.203 11.286 6.445) 13.182 3.291 ( 5.531 1.038 -3.439) 6.595 3.334 ( -2.195 7.400 3.035) 8.294 3.430 ( 2.931 18.385 1.268) 18.660 3.465 ( 5.949 12.554 -9.801) 17.002 3.578 ( 1.821 15.065 11.597) 19.099 3.763 ( 3.501 6.237 12.948) 14.792 4.055 ( -5.441 16.024 -0.969) 16.951 4.087 ( -5.663 0.455 -8.767) 10.447 4.270 ( 10.065 10.452 -7.965) 16.552 4.300 ( 0.470 11.636 20.884) 23.912 4.492 ( 10.743 19.649 -7.078) 23.487 4.680 ( -4.477 10.599 -5.089) 12.581 4.778 ( -2.925 10.033 0.988) 10.497 4.842 ( -11.326 11.645 -1.761) 16.340 4.929 ( -2.665 19.907 2.973) 20.304 5.060 ( 0.182 4.511 -0.410) 4.533 5.261 ( 7.511 -1.201 9.178) 11.920 5.283 ( -11.041 20.168 0.760) 23.005 5.515 ( 4.554 7.915 2.562) 9.484 5.653 ( -5.076 16.750 -7.491) 19.038 5.815 ( 0.855 5.112 -16.457) 17.254 5.843 ( 2.945 -0.601 -9.356) 9.827 5.998 ( 2.461 13.737 -3.211) 14.320 6.007 ( 3.539 8.191 -4.288) 9.900 6.076 ( -3.318 16.636 0.142) 16.964 6.215 ( -12.624 12.551 -0.359) 17.805 6.241 ( 3.277 3.238 2.926) 5.458 6.296 ( -6.915 1.764 -6.455) 9.623 6.527 ( 3.393 19.319 7.100) 20.860 6.562 ( -2.057 -2.055 -1.572) 3.305 6.645 ( -1.789 -5.188 1.089) 5.595 6.696 ( 9.424 0.523 0.393) 9.446 6.756 ( 7.863 -3.408 0.045) 8.570 6.905 ( 9.121 0.273 -0.017) 9.125 7.020 ( -0.141 7.993 -0.193) 7.997 7.115 ( -4.288 -1.594 0.791) 4.643 7.191 ( 4.050 12.362 1.822) 13.136 7.235 ( -10.706 0.351 -5.277) 11.941 7.326 ( -8.588 8.415 -4.508) 12.840 7.350 ( 4.549 1.954 -3.787) 6.233 7.372 ( 5.061 -2.906 6.298) 8.586 7.507 ( 10.718 6.370 11.938) 17.262 7.590 ( -6.121 -1.903 0.373) 6.421 7.733 ( -1.533 5.576 -13.230) 14.439 7.784 ( 3.513 5.110 -6.349) 8.875 7.899 ( -3.315 -1.905 8.445) 9.271 8.073 ( 12.291 2.296 -8.200) 14.953 8.144 ( -10.949 2.479 -0.179) 11.228 8.233 ( 1.134 3.624 8.913) 9.688 8.295 ( 6.225 2.934 2.885) 7.462 8.388 ( -3.575 -0.758 0.627) 3.708 8.499 ( 6.231 -4.864 -0.842) 7.950 8.571 ( 1.150 2.563 3.203) 4.260 8.612 ( 1.236 6.307 -6.437) 9.096 8.660 ( -2.041 -0.711 -6.452) 6.805 8.805 ( -0.406 -3.229 -0.003) 3.254 8.883 ( 3.201 1.092 -5.358) 6.336 9.003 ( 1.996 -2.101 -0.604) 2.960 9.072 ( -0.352 4.326 0.615) 4.384 9.291 ( -8.882 10.483 2.812) 14.024 9.410 ( 1.358 1.511 4.231) 4.693 9.465 ( -1.400 3.955 4.347) 6.041 9.666 ( 0.277 -4.692 8.035) 9.309 9.841 ( -8.705 -10.368 -5.039) 14.445 9.988 ( -12.281 -14.934 -3.351) 19.623 10.148 ( 8.550 -8.750 -1.804) 12.366 10.377 ( 1.788 -11.628 4.755) 12.689 10.434 ( 0.711 -8.820 6.524) 10.994 10.547 ( 0.268 -11.891 4.799) 12.826 10.663 ( -2.003 -2.710 -1.513) 3.694 10.696 ( 1.310 -6.981 0.649) 7.133 10.775 ( 2.302 -7.084 0.968) 7.511 10.966 ( -0.500 -1.527 -5.492) 5.722 11.034 ( 0.498 -2.281 -3.576) 4.271 11.340 ( 4.184 -5.971 0.242) 7.295 11.365 ( -2.768 -5.760 -0.667) 6.425 11.430 ( -3.597 -12.021 -2.067) 12.717 11.528 ( -6.427 -6.431 -3.460) 9.728 11.730 ( 2.670 -5.573 -0.302) 6.187 11.775 ( -1.205 -6.799 -0.754) 6.946 11.801 ( -4.362 -1.258 -2.158) 5.026 11.847 ( 0.885 -2.916 2.459) 3.915 11.903 ( -0.230 -5.669 0.455) 5.692 11.979 ( 0.163 1.059 2.144) 2.397 12.014 ( 3.344 -4.765 0.007) 5.821 12.092 ( 2.970 0.447 0.165) 3.008 12.250 ( 0.211 -2.953 -1.990) 3.568 12.375 ( -1.082 -1.991 0.439) 2.309 12.401 ( -4.381 -1.294 -2.274) 5.103 12.531 ( 5.922 -1.718 -3.376) 7.030 16.160 ( 0.292 5.651 3.564) 6.688 16.275 ( 7.129 6.585 8.042) 12.604 16.290 ( 2.286 1.019 2.646) 3.642 16.400 ( 3.461 2.291 6.733) 7.909 16.593 ( 1.725 5.241 -2.463) 6.042 16.760 ( 3.713 4.547 -0.006) 5.871 16.840 ( -5.703 2.349 3.226) 6.960 16.940 ( 2.091 2.262 -3.121) 4.385 16.967 ( -0.887 3.121 -0.000) 3.245 17.080 ( -0.183 2.108 4.503) 4.976 17.122 ( 0.848 2.619 -1.601) 3.184 17.165 ( -3.384 -0.910 4.269) 5.523 17.186 ( 0.150 6.349 -1.638) 6.559 17.252 ( 5.220 2.765 1.885) 6.201 17.277 ( -0.133 3.329 1.713) 3.746 17.340 ( 1.338 2.388 6.723) 7.259 17.498 ( -3.887 7.378 -1.535) 8.480 17.522 ( 2.694 7.169 -5.139) 9.222 17.594 ( 0.419 6.210 -5.765) 8.483 17.708 ( -0.139 5.704 -2.913) 6.406 17.815 ( 0.163 6.244 -4.772) 7.861 17.859 ( 0.596 19.522 -5.155) 20.200 17.949 ( 3.345 15.388 -2.193) 15.899 18.045 ( -0.363 9.500 -2.934) 9.949 18.239 ( -3.116 12.901 2.848) 13.574 18.567 ( -19.522 54.310 2.074) 57.749 18.666 ( -17.793 48.311 3.466) 51.600 19.379 ( 48.346 57.906 1.720) 75.455 22.744 ( -13.524 -24.598 4.017) 28.357 22.993 ( 0.488 -34.672 22.390) 41.276 23.161 ( 8.796 -34.532 -12.438) 37.743 23.582 ( -5.108 -53.063 2.398) 53.362 28.450 ( -6.318 0.514 -3.267) 7.131 28.510 ( 1.952 3.297 -3.064) 4.906 28.523 ( 1.921 1.634 -2.814) 3.779 28.571 ( -0.626 1.180 -5.035) 5.209 28.779 ( 3.770 0.137 0.071) 3.773 28.897 ( -3.448 0.256 1.732) 3.867 28.944 ( -5.505 -3.976 -4.204) 7.986 29.043 ( 4.676 -0.364 -1.713) 4.994 29.323 ( -2.599 -11.898 -3.166) 12.583 29.383 ( -3.444 -8.450 -5.521) 10.665 29.521 ( 1.420 -14.873 3.935) 15.450 29.575 ( -1.099 -13.190 2.520) 13.474 29.937 ( -2.300 -5.733 0.861) 6.236 29.957 ( 0.790 -5.162 2.783) 5.918 30.020 ( 1.280 -2.340 -1.195) 2.922 30.069 ( 1.292 -1.083 -0.892) 1.907 31.627 ( 0.327 -0.175 0.171) 0.409 31.654 ( -0.724 0.827 -0.676) 1.290 31.709 ( 1.933 0.580 3.287) 3.857 31.791 ( -2.431 -4.159 4.698) 6.729 31.920 ( 2.034 0.059 -3.775) 4.288 32.126 ( -4.441 -4.509 -5.947) 8.684 32.156 ( -5.408 -1.345 4.284) 7.029 32.254 ( 4.960 -5.695 -0.362) 7.561 33.895 ( 1.081 33.462 0.433) 33.482 34.061 ( -5.962 23.809 6.130) 25.298 34.193 ( 1.697 24.545 -10.961) 26.935 34.306 ( 9.406 18.109 -2.898) 20.611 35.019 ( -6.549 -13.465 4.154) 15.539 35.090 ( -2.699 -13.505 5.105) 14.687 35.117 ( 2.866 -16.850 -0.121) 17.092 35.194 ( 4.257 -19.001 1.023) 19.499 ======================= Grid point 56 (27/50) ======================= q-point: (-0.25 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( -10.035 10.134 -1.905) 14.389 1.736 ( -7.239 12.606 7.408) 16.315 1.748 ( -3.205 14.674 10.673) 18.426 1.977 ( -1.691 8.201 20.689) 22.319 1.993 ( -11.782 20.541 7.396) 24.809 2.021 ( -5.778 5.127 -0.214) 7.727 2.189 ( -10.147 -0.626 -3.836) 10.866 2.487 ( -1.379 23.953 10.519) 26.197 2.566 ( -6.152 9.757 3.684) 12.109 2.657 ( 3.271 8.202 -11.597) 14.576 2.819 ( -9.673 16.432 -9.081) 21.120 3.046 ( 0.369 16.353 -5.773) 17.346 3.135 ( 0.813 -0.714 -4.081) 4.222 3.279 ( 8.154 -1.934 9.712) 12.828 3.349 ( 14.454 5.896 5.125) 16.430 3.491 ( -0.208 9.246 -1.599) 9.385 3.560 ( 7.896 10.960 -1.494) 13.590 3.649 ( 16.384 4.614 -7.084) 18.436 3.745 ( 11.281 11.502 5.796) 17.122 3.895 ( 9.454 7.242 -7.530) 14.090 3.962 ( -2.399 19.056 -0.248) 19.208 4.053 ( -1.301 0.337 -5.427) 5.591 4.279 ( 10.989 10.977 -5.243) 16.393 4.501 ( -2.014 21.506 -6.924) 22.683 4.520 ( -0.760 21.843 -4.324) 22.279 4.654 ( 1.746 12.992 -11.971) 17.752 4.713 ( -5.478 -8.761 14.675) 17.947 4.758 ( -4.078 7.815 3.301) 9.413 4.958 ( 0.319 -6.383 9.751) 11.658 5.000 ( -5.677 22.603 13.075) 26.722 5.167 ( -6.974 13.801 -0.196) 15.465 5.179 ( -5.969 9.802 9.088) 14.639 5.451 ( -6.817 -0.788 -6.274) 9.298 5.505 ( -20.814 -5.800 -2.960) 21.809 5.626 ( 1.562 8.050 -3.302) 8.840 5.661 ( 4.140 0.337 -7.781) 8.820 5.910 ( -4.883 8.848 0.142) 10.107 6.029 ( 1.402 -2.403 1.760) 3.292 6.090 ( 1.741 11.492 -3.844) 12.243 6.232 ( -5.272 -2.218 -3.207) 6.557 6.286 ( 4.013 15.734 2.313) 16.401 6.371 ( 5.617 20.194 12.287) 24.297 6.453 ( 8.292 17.632 -3.067) 19.724 6.588 ( -2.609 19.673 -1.274) 19.886 6.655 ( -14.502 3.807 -3.015) 15.294 6.723 ( 6.028 -4.803 -3.238) 8.360 6.847 ( 2.682 3.642 -1.803) 4.869 6.967 ( 7.249 -1.846 1.089) 7.559 6.999 ( 1.232 5.942 -4.555) 7.588 7.102 ( 4.754 -0.896 -1.148) 4.972 7.162 ( 1.519 10.720 -2.080) 11.025 7.219 ( 6.164 0.633 -2.660) 6.743 7.280 ( -1.833 -1.152 1.225) 2.487 7.381 ( -2.342 11.031 -5.627) 12.603 7.539 ( 3.104 0.394 -1.563) 3.497 7.559 ( -2.985 -1.540 -1.156) 3.552 7.603 ( 3.923 2.000 2.356) 4.994 7.771 ( 3.184 -1.697 -6.248) 7.215 7.852 ( -1.293 -2.756 2.261) 3.793 7.893 ( 6.236 -4.745 0.102) 7.837 8.066 ( -4.640 -0.247 2.715) 5.382 8.179 ( 7.972 4.236 1.568) 9.163 8.249 ( 5.078 -0.204 -3.393) 6.110 8.288 ( 10.617 -0.479 0.950) 10.670 8.392 ( -4.420 1.852 1.601) 5.053 8.465 ( -3.943 -0.088 -3.447) 5.238 8.584 ( 1.454 2.969 2.488) 4.137 8.604 ( -1.750 2.532 -0.545) 3.126 8.712 ( 4.707 3.903 -5.578) 8.277 8.796 ( -0.415 1.481 -6.340) 6.524 8.866 ( -1.767 2.277 1.677) 3.335 8.955 ( -6.372 3.813 -3.604) 8.254 9.080 ( -9.811 1.770 1.962) 10.161 9.150 ( 1.559 7.470 -1.061) 7.704 9.324 ( -10.075 -2.416 -1.853) 10.525 9.473 ( -1.466 -2.513 8.842) 9.308 9.681 ( -5.032 -11.227 8.426) 14.912 9.797 ( -1.117 -6.616 1.160) 6.809 9.841 ( -0.189 -8.317 8.605) 11.969 10.266 ( 4.619 -8.334 -1.978) 9.732 10.451 ( -2.773 -7.036 3.230) 8.223 10.501 ( 7.320 -6.782 1.816) 10.143 10.625 ( 2.379 -4.264 -1.495) 5.106 10.663 ( -3.491 -4.808 -1.512) 6.131 10.690 ( 2.844 -7.217 3.704) 8.597 10.812 ( 0.711 -12.443 -1.611) 12.567 10.855 ( -5.136 -1.622 -1.920) 5.718 10.927 ( -5.464 -2.173 -3.860) 7.034 11.300 ( -2.011 -3.818 -1.406) 4.538 11.366 ( -2.847 -8.781 -0.994) 9.284 11.390 ( 0.137 -4.868 2.458) 5.456 11.453 ( 3.359 -6.248 1.310) 7.213 11.665 ( -6.347 -1.291 0.782) 6.524 11.759 ( 0.794 -2.893 3.359) 4.504 11.859 ( 1.156 -7.175 2.375) 7.646 11.877 ( 1.100 -5.177 0.442) 5.311 11.891 ( 0.882 -4.617 0.499) 4.727 11.957 ( -1.979 -0.835 -0.751) 2.275 12.072 ( 2.442 -6.605 -1.105) 7.128 12.128 ( -1.858 3.122 -4.720) 5.956 12.180 ( -5.020 1.181 -0.701) 5.204 12.278 ( 1.892 -3.022 2.729) 4.490 12.415 ( -1.833 -2.035 1.753) 3.251 12.590 ( 6.516 1.760 -7.790) 10.307 16.356 ( 10.672 0.193 1.682) 10.806 16.390 ( 10.281 2.913 -0.296) 10.690 16.464 ( 0.387 3.170 -4.658) 5.648 16.505 ( 6.612 1.607 -0.008) 6.804 16.674 ( 3.408 2.751 8.200) 9.296 16.710 ( -4.359 4.104 -8.455) 10.359 16.829 ( -2.215 0.399 0.855) 2.408 16.962 ( 1.967 4.808 -1.951) 5.549 16.995 ( 6.422 6.409 0.373) 9.080 17.054 ( -1.983 1.511 1.596) 2.960 17.115 ( -0.068 3.284 -1.765) 3.729 17.154 ( -0.905 4.890 -2.156) 5.420 17.285 ( 4.194 5.919 6.162) 9.518 17.324 ( 0.613 2.312 2.251) 3.285 17.364 ( -1.415 5.887 -0.309) 6.062 17.375 ( 0.155 6.715 2.730) 7.250 17.397 ( -0.178 5.067 -0.700) 5.118 17.485 ( -3.794 6.241 -2.862) 7.845 17.544 ( 2.025 5.655 -4.927) 7.769 17.662 ( -0.248 4.433 -8.143) 9.275 17.775 ( 3.832 11.875 -0.453) 12.486 17.838 ( 3.186 10.180 -2.549) 10.967 17.927 ( -6.346 10.390 0.668) 12.193 17.954 ( -4.632 9.704 -2.830) 11.119 18.214 ( -8.183 27.600 1.895) 28.850 18.296 ( 0.436 36.363 11.400) 38.111 18.507 ( -17.815 46.575 13.315) 51.613 20.305 ( 58.651 47.672 -36.781) 84.056 22.573 ( -9.687 -14.970 6.246) 18.893 23.193 ( -4.167 -46.424 16.680) 49.505 23.254 ( 4.905 -41.634 4.282) 42.140 23.449 ( -5.821 -46.101 -4.403) 46.676 28.318 ( -4.127 0.303 1.574) 4.427 28.409 ( -9.284 -1.000 -4.421) 10.332 28.510 ( 0.495 2.054 -1.396) 2.532 28.542 ( 2.785 1.598 -1.916) 3.739 28.676 ( -7.841 -2.688 1.743) 8.470 28.877 ( 0.000 -0.211 1.246) 1.264 28.891 ( -2.253 1.414 1.836) 3.232 29.087 ( 2.678 0.837 -2.613) 3.834 29.260 ( -0.753 -14.483 1.673) 14.599 29.329 ( -0.010 -1.851 -0.798) 2.016 29.374 ( -9.409 -15.124 0.590) 17.821 29.719 ( 4.121 -10.269 4.816) 12.068 29.882 ( -2.469 -7.545 -2.241) 8.249 29.992 ( -0.260 -4.447 2.063) 4.909 30.039 ( 1.664 -0.590 -1.286) 2.184 30.087 ( 1.542 -0.456 -1.360) 2.106 31.615 ( -0.859 2.168 0.311) 2.353 31.686 ( 3.173 -0.091 0.054) 3.175 31.767 ( -1.754 -0.525 -2.095) 2.782 31.800 ( 3.176 -0.669 3.163) 4.532 31.943 ( -0.819 -2.648 2.894) 4.007 31.983 ( -2.610 -3.389 -2.148) 4.786 32.066 ( -7.485 -1.964 2.734) 8.207 32.304 ( 1.448 -6.785 -0.962) 7.004 33.939 ( 0.890 30.923 3.191) 31.100 34.004 ( -4.534 27.411 2.836) 27.928 34.140 ( 6.286 29.603 -12.467) 32.730 34.470 ( 10.275 10.762 -3.396) 15.262 34.890 ( -11.825 -10.243 7.304) 17.265 35.085 ( -1.401 -11.274 1.425) 11.450 35.210 ( 5.043 -19.116 -0.448) 19.775 35.285 ( 3.156 -19.446 -0.677) 19.712 ======================= Grid point 57 (28/50) ======================= q-point: ( 0.00 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( -15.925 11.986 -2.286) 20.063 1.801 ( -7.491 5.245 0.437) 9.155 1.852 ( 0.397 18.143 18.750) 26.094 2.127 ( -10.874 4.152 2.316) 11.868 2.276 ( -12.519 5.042 2.125) 13.663 2.343 ( 3.738 5.440 1.905) 6.870 2.451 ( 9.468 13.200 -6.303) 17.424 2.605 ( 0.285 3.277 8.089) 8.732 2.783 ( 11.552 19.733 -6.941) 23.896 2.840 ( -1.899 -2.315 -17.149) 17.408 2.982 ( 10.418 -2.070 3.507) 11.186 3.148 ( -2.534 6.925 -1.900) 7.615 3.282 ( -10.864 0.066 -16.869) 20.065 3.316 ( 7.560 11.264 -0.538) 13.576 3.403 ( -1.960 -6.321 11.189) 13.000 3.455 ( 3.856 -8.043 -6.194) 10.860 3.661 ( -0.219 4.067 -8.188) 9.146 3.698 ( -7.358 -4.050 8.760) 12.136 3.736 ( 2.553 -0.617 -5.121) 5.756 3.971 ( -9.211 -6.048 1.233) 11.088 4.160 ( -6.587 7.722 1.704) 10.291 4.246 ( -11.612 -5.150 6.650) 14.338 4.338 ( -11.044 9.128 -8.353) 16.585 4.545 ( 10.644 14.849 -0.433) 18.275 4.721 ( 8.721 9.505 -4.398) 13.628 4.811 ( 4.492 7.761 0.620) 8.989 4.900 ( -0.070 8.311 0.323) 8.318 5.031 ( 5.666 -0.437 0.940) 5.760 5.139 ( 7.858 -10.460 21.267) 24.969 5.157 ( 4.898 8.167 6.034) 11.274 5.343 ( 0.390 3.273 6.029) 6.872 5.368 ( 8.879 4.618 -5.204) 11.280 5.458 ( -4.065 9.004 -0.738) 9.906 5.527 ( 5.664 10.556 2.345) 12.207 5.782 ( 3.365 11.433 3.328) 12.374 5.866 ( 2.182 2.799 -0.054) 3.550 5.957 ( -2.717 4.153 2.775) 5.686 6.109 ( 3.511 6.222 5.436) 8.978 6.191 ( 4.670 4.367 1.272) 6.519 6.231 ( 2.148 2.149 -3.900) 4.944 6.544 ( -5.847 0.728 1.070) 5.988 6.553 ( 1.548 -0.385 1.535) 2.214 6.630 ( 3.855 -4.453 -0.182) 5.892 6.734 ( -4.090 -0.020 -4.359) 5.977 6.773 ( 0.157 2.498 -0.158) 2.508 6.849 ( -5.409 6.693 -6.745) 10.934 6.940 ( -5.855 0.305 4.352) 7.302 7.026 ( -5.924 8.451 -5.412) 11.654 7.070 ( -4.550 4.076 2.287) 6.522 7.156 ( -8.175 11.848 4.218) 15.000 7.257 ( -3.516 7.529 -7.985) 11.525 7.309 ( -4.462 0.350 1.672) 4.778 7.399 ( 7.564 9.005 1.726) 11.886 7.492 ( 4.307 15.106 1.004) 15.740 7.534 ( 1.529 0.836 1.111) 2.066 7.554 ( 2.178 2.888 1.917) 4.094 7.616 ( 1.602 -0.111 -10.032) 10.160 7.797 ( 14.501 0.944 -2.513) 14.747 7.855 ( 3.123 6.752 -0.980) 7.504 7.936 ( 10.399 1.295 3.286) 10.982 8.092 ( -8.413 -2.110 0.906) 8.721 8.235 ( -5.555 5.253 -6.252) 9.877 8.257 ( -12.529 2.468 4.796) 13.640 8.352 ( 3.858 -4.049 2.141) 5.989 8.438 ( -1.895 2.044 1.924) 3.387 8.497 ( -1.575 4.827 -6.726) 8.427 8.587 ( -2.390 -2.460 6.947) 7.747 8.727 ( 9.789 4.819 -5.788) 12.351 8.776 ( 2.836 -2.120 -4.801) 5.965 8.814 ( 0.359 3.823 -8.438) 9.271 8.856 ( 2.208 2.651 0.402) 3.473 8.945 ( 2.195 2.470 -5.372) 6.307 9.102 ( -4.610 -1.669 7.248) 8.750 9.192 ( 8.604 -4.289 9.384) 13.435 9.315 ( -4.842 3.498 3.928) 7.149 9.476 ( -6.586 0.916 8.179) 10.540 9.528 ( 4.000 -1.834 -0.003) 4.401 9.665 ( -2.290 -8.021 4.697) 9.573 9.770 ( -0.307 -6.170 -2.070) 6.515 10.012 ( -1.117 -12.315 -3.149) 12.760 10.283 ( -3.627 -7.137 -1.073) 8.077 10.333 ( -3.060 -2.406 -0.296) 3.904 10.429 ( -5.225 -4.779 -4.139) 8.202 10.554 ( 6.391 -7.623 -2.014) 10.149 10.581 ( -0.917 -6.676 2.862) 7.321 10.693 ( -2.631 -7.130 2.052) 7.872 10.758 ( 5.648 -2.437 -0.499) 6.172 10.802 ( 4.246 -4.303 1.082) 6.141 11.266 ( 1.256 1.970 -0.190) 2.344 11.344 ( -0.664 -1.063 2.946) 3.201 11.386 ( 1.240 5.299 1.543) 5.657 11.461 ( 2.245 -1.824 -5.092) 5.856 11.634 ( -0.705 -1.734 4.243) 4.638 11.664 ( -0.761 -3.764 -3.192) 4.994 11.773 ( -0.970 -5.156 1.446) 5.442 11.777 ( 0.492 -3.098 0.854) 3.251 11.821 ( -2.946 6.545 2.849) 7.722 11.908 ( -0.357 -2.549 -1.480) 2.969 12.011 ( -1.251 -0.398 1.655) 2.113 12.148 ( -1.247 1.994 -3.487) 4.206 12.215 ( 2.159 -0.388 2.501) 3.327 12.255 ( 0.376 -6.458 5.111) 8.244 12.286 ( -2.463 -3.830 -0.737) 4.613 12.571 ( 4.410 -5.722 -11.100) 13.244 16.371 ( -4.298 5.312 -2.933) 7.435 16.430 ( -2.942 5.431 -7.351) 9.602 16.553 ( 0.408 2.832 -1.705) 3.331 16.588 ( 0.495 3.384 -7.741) 8.463 16.747 ( -4.050 1.257 2.238) 4.795 16.806 ( 0.518 -0.511 3.955) 4.021 16.839 ( 6.240 1.948 0.685) 6.573 16.956 ( -1.272 -0.737 -3.234) 3.553 17.077 ( -5.973 5.216 -7.930) 11.214 17.142 ( -0.197 4.249 -1.902) 4.659 17.189 ( -0.692 1.990 -2.455) 3.235 17.228 ( 1.215 4.424 -1.864) 4.952 17.355 ( -6.949 1.984 1.877) 7.466 17.390 ( -4.896 2.710 -2.992) 6.345 17.423 ( -1.835 1.047 0.001) 2.112 17.441 ( 1.948 2.628 3.854) 5.055 17.464 ( 2.151 1.829 0.993) 2.993 17.577 ( 3.469 1.114 -2.409) 4.368 17.642 ( 0.727 1.440 -2.382) 2.877 17.651 ( 6.029 1.365 -2.168) 6.551 17.839 ( 0.759 -0.518 2.918) 3.059 17.857 ( 1.400 0.090 3.804) 4.054 17.964 ( -4.182 -2.734 6.004) 7.811 18.000 ( 5.203 -2.178 6.049) 8.271 19.288 ( 10.701 58.477 2.686) 59.509 19.405 ( -11.177 56.834 -1.229) 57.936 19.646 ( -0.110 54.946 20.152) 58.525 21.044 ( 2.428 26.167 -37.969) 46.176 22.203 ( -8.586 -28.888 4.519) 30.474 22.270 ( 0.551 -32.969 4.745) 33.313 22.453 ( 2.074 -45.193 0.555) 45.244 22.475 ( -0.076 -37.443 -1.444) 37.471 28.319 ( 0.510 0.850 4.778) 4.880 28.388 ( 5.673 -1.425 7.610) 9.599 28.535 ( 0.624 1.997 -2.437) 3.212 28.602 ( 0.250 1.681 -1.383) 2.191 28.696 ( 1.312 3.331 4.575) 5.809 28.857 ( 0.265 0.646 1.536) 1.688 28.913 ( 2.349 -1.510 4.195) 5.039 29.092 ( -1.752 -0.906 2.171) 2.933 29.125 ( 0.548 2.154 -2.255) 3.166 29.201 ( 0.976 -0.256 4.775) 4.881 29.334 ( 0.997 0.561 -3.835) 4.002 29.550 ( -6.772 -9.740 -5.460) 13.059 29.659 ( 3.902 -9.593 2.584) 10.674 29.839 ( -2.233 -8.908 2.058) 9.411 29.954 ( 0.644 -8.845 -2.574) 9.234 29.986 ( 0.045 -9.075 -3.055) 9.575 31.667 ( 1.403 2.518 -0.656) 2.956 31.688 ( -3.948 -0.235 -2.717) 4.798 31.732 ( -1.405 -0.494 0.559) 1.590 31.781 ( -3.030 -0.179 -1.305) 3.304 31.892 ( 5.121 -3.978 1.335) 6.620 31.903 ( -0.554 -3.231 0.628) 3.338 31.991 ( 3.637 -4.248 6.791) 8.798 32.141 ( -0.874 -8.367 0.074) 8.413 34.443 ( -1.804 17.408 1.183) 17.541 34.478 ( -1.020 17.202 2.077) 17.357 34.562 ( 2.472 11.656 -4.319) 12.674 34.684 ( 1.992 7.634 -5.537) 9.639 34.812 ( -0.648 2.102 3.746) 4.345 34.908 ( -1.043 -6.898 0.059) 6.976 34.928 ( -1.089 -7.899 -0.774) 8.011 34.949 ( -1.667 -9.668 -2.262) 10.068 ======================= Grid point 58 (29/50) ======================= q-point: ( 0.25 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( -3.320 7.041 6.726) 10.288 1.763 ( -9.584 8.692 4.796) 13.799 1.801 ( -4.805 -4.267 -6.300) 9.000 2.050 ( -6.549 9.966 13.378) 17.921 2.225 ( 2.909 -2.089 11.062) 11.628 2.329 ( -7.968 5.504 -2.265) 9.946 2.537 ( -2.890 -2.641 -1.019) 4.045 2.620 ( -1.977 -1.325 7.700) 8.059 2.665 ( -3.440 4.635 1.799) 6.047 2.749 ( -9.401 -2.882 4.469) 10.801 2.905 ( -6.415 10.977 -7.692) 14.860 3.112 ( 2.110 10.202 6.072) 12.058 3.155 ( 2.720 -6.787 -6.790) 9.978 3.348 ( -2.089 8.044 -7.586) 11.252 3.376 ( 2.624 4.457 -5.748) 7.732 3.480 ( -4.357 5.121 7.403) 10.000 3.603 ( 0.220 1.153 -1.178) 1.663 3.715 ( 5.981 2.676 -19.515) 20.586 3.747 ( -14.249 -8.026 10.446) 19.405 3.902 ( 10.623 3.459 1.100) 11.226 4.083 ( -0.940 12.603 9.076) 15.559 4.143 ( 10.044 9.251 4.114) 14.262 4.368 ( 0.476 4.810 -2.251) 5.332 4.554 ( -9.808 6.832 -1.786) 12.086 4.740 ( 7.853 9.938 -12.068) 17.495 4.880 ( 5.761 5.918 -2.420) 8.606 5.007 ( 7.661 10.488 -2.831) 13.293 5.095 ( 3.433 6.350 -7.433) 10.361 5.205 ( 2.685 10.389 1.591) 10.847 5.340 ( -3.525 15.932 8.234) 18.277 5.420 ( -5.203 13.969 6.847) 16.404 5.539 ( 17.737 -5.778 -10.160) 21.242 5.693 ( -1.576 9.323 5.394) 10.885 5.708 ( 12.171 -17.513 9.029) 23.159 5.747 ( 1.312 -4.772 1.126) 5.076 5.893 ( 0.225 3.320 -11.376) 11.853 6.101 ( 4.837 13.675 4.813) 15.282 6.228 ( 5.612 6.128 2.716) 8.742 6.278 ( 2.815 -1.480 2.767) 4.215 6.324 ( 2.156 -1.034 -5.167) 5.694 6.473 ( 4.978 3.144 0.165) 5.890 6.478 ( -1.915 4.961 7.846) 9.478 6.545 ( -7.049 14.896 -2.904) 16.733 6.649 ( 2.483 0.026 -7.424) 7.828 6.699 ( -6.996 16.886 -10.058) 20.862 6.716 ( -4.309 -2.928 9.074) 10.463 6.817 ( -5.236 4.125 -3.442) 7.502 6.957 ( -1.150 0.759 0.026) 1.378 7.045 ( -4.169 1.062 -5.709) 7.148 7.072 ( -10.531 0.524 5.429) 11.859 7.231 ( 5.740 -2.141 3.216) 6.919 7.295 ( 6.373 7.284 -1.313) 9.767 7.469 ( -0.758 9.569 4.286) 10.512 7.475 ( -4.865 2.565 -1.271) 5.645 7.512 ( 5.657 4.122 -0.045) 7.000 7.612 ( 4.626 12.347 5.689) 14.360 7.687 ( -3.696 9.937 1.117) 10.661 7.839 ( -9.054 4.691 -4.656) 11.210 7.926 ( -4.385 -0.134 -1.403) 4.606 7.983 ( 5.660 4.463 -4.161) 8.323 8.045 ( 1.709 -1.583 0.938) 2.512 8.119 ( 8.997 1.893 -0.450) 9.205 8.301 ( -1.355 1.064 2.464) 3.007 8.349 ( -5.338 2.792 -1.474) 6.202 8.415 ( -0.182 -0.452 -1.668) 1.738 8.430 ( 0.715 4.923 -2.486) 5.561 8.549 ( -7.908 -4.728 -4.065) 10.071 8.694 ( 7.285 2.616 4.353) 8.880 8.714 ( -0.117 2.428 -4.244) 4.891 8.830 ( 0.403 -0.139 -2.887) 2.919 8.911 ( -0.569 1.189 1.968) 2.368 8.923 ( 1.168 2.505 -5.565) 6.214 9.139 ( 3.032 0.231 1.600) 3.436 9.361 ( 3.015 -4.299 10.483) 11.724 9.459 ( -1.370 3.091 4.099) 5.314 9.491 ( 5.133 -1.362 0.568) 5.341 9.540 ( -2.675 -4.287 -5.260) 7.294 9.703 ( 5.986 -10.024 9.197) 14.863 9.751 ( -2.562 -13.992 1.294) 14.283 9.849 ( -8.920 -11.670 -4.010) 15.226 10.205 ( -4.336 -4.160 0.475) 6.028 10.298 ( -5.627 -1.148 1.427) 5.918 10.361 ( 4.143 -1.704 1.537) 4.736 10.553 ( -0.849 -4.462 -4.311) 6.262 10.611 ( 0.940 -5.115 2.495) 5.768 10.684 ( -1.263 -5.468 -0.378) 5.624 10.859 ( 6.116 -5.419 -2.430) 8.525 10.894 ( 3.653 -5.741 -1.475) 6.962 11.277 ( -0.486 -1.028 0.751) 1.363 11.366 ( -1.176 3.416 -1.605) 3.953 11.389 ( 2.102 -0.176 -0.698) 2.222 11.468 ( -1.016 0.550 -1.351) 1.777 11.618 ( -0.799 -2.915 -0.484) 3.062 11.671 ( 2.383 0.057 7.029) 7.423 11.736 ( -2.442 -4.911 -1.455) 5.675 11.802 ( 1.276 -1.653 0.623) 2.179 11.883 ( 0.609 -0.807 -2.964) 3.132 11.916 ( 5.205 1.975 2.997) 6.323 12.028 ( -1.075 0.037 0.779) 1.328 12.063 ( -0.222 1.692 -3.768) 4.136 12.227 ( -3.548 -6.459 1.146) 7.458 12.263 ( -1.275 -4.567 1.123) 4.873 12.318 ( 3.508 -3.187 2.406) 5.315 12.485 ( -1.605 -6.590 -7.525) 10.130 16.284 ( -1.187 9.070 2.168) 9.401 16.337 ( -0.304 5.542 -1.152) 5.669 16.422 ( -8.003 7.110 -1.053) 10.757 16.513 ( -6.040 4.313 -1.605) 7.593 16.714 ( -0.014 4.568 -0.397) 4.585 16.805 ( -1.821 -0.500 -0.864) 2.077 16.895 ( 0.717 -0.111 -1.874) 2.009 16.940 ( 2.091 -4.302 0.058) 4.784 16.968 ( -1.224 3.521 4.413) 5.776 17.077 ( -6.485 0.220 0.995) 6.565 17.173 ( 1.677 1.279 0.630) 2.201 17.190 ( -3.002 3.511 -1.371) 4.819 17.248 ( -6.168 -0.334 1.039) 6.264 17.283 ( 0.378 1.228 -0.411) 1.349 17.338 ( -3.393 1.255 -2.738) 4.537 17.370 ( -5.894 1.197 1.691) 6.248 17.613 ( 3.900 5.073 3.285) 7.193 17.632 ( 5.152 3.889 -2.526) 6.932 17.692 ( 6.597 3.688 -3.801) 8.460 17.776 ( 5.820 2.079 -2.218) 6.566 17.837 ( -0.459 -0.101 1.167) 1.259 17.910 ( -5.738 -2.080 1.959) 6.411 18.029 ( 6.940 -0.350 0.849) 7.001 18.112 ( 1.385 -2.197 0.867) 2.738 19.238 ( -1.448 58.210 -5.677) 58.504 19.716 ( 27.099 52.969 7.271) 59.941 19.803 ( -10.280 53.044 24.697) 59.408 20.424 ( -20.224 42.214 -32.771) 57.140 22.190 ( -0.010 -31.232 6.122) 31.826 22.295 ( -3.459 -29.989 3.219) 30.359 22.421 ( -0.088 -37.265 -3.582) 37.436 22.490 ( 0.127 -48.593 0.807) 48.600 28.461 ( 7.144 2.228 4.433) 8.698 28.550 ( 5.203 2.451 -4.036) 7.027 28.598 ( 3.861 1.931 -2.184) 4.838 28.624 ( 3.417 1.846 -1.956) 4.349 28.779 ( 2.489 -2.373 1.364) 3.699 28.843 ( 3.338 4.340 2.017) 5.835 28.986 ( -1.339 4.143 2.467) 5.004 29.058 ( -3.812 0.846 -4.846) 6.224 29.165 ( 2.027 -4.815 3.967) 6.560 29.242 ( -0.819 -4.617 0.619) 4.730 29.332 ( -0.325 -6.978 -0.925) 7.047 29.363 ( -2.825 -6.079 -2.134) 7.035 29.737 ( 0.374 -9.449 4.670) 10.546 29.810 ( -2.057 -8.969 0.545) 9.218 29.906 ( -1.344 -9.892 -3.044) 10.437 29.952 ( -0.424 -10.042 -1.376) 10.145 31.603 ( -2.366 -1.648 -0.525) 2.931 31.674 ( -2.510 -2.473 2.512) 4.327 31.710 ( 0.256 0.991 1.502) 1.818 31.727 ( -1.692 1.766 -0.551) 2.507 31.935 ( 3.405 1.085 -3.015) 4.676 32.013 ( 5.854 -6.333 0.494) 8.638 32.101 ( -1.209 -6.868 -1.387) 7.110 32.111 ( 0.486 -4.141 3.030) 5.154 34.420 ( -1.427 16.672 0.931) 16.759 34.478 ( -1.842 15.238 3.035) 15.646 34.573 ( 3.081 12.400 -2.637) 13.047 34.633 ( -0.118 11.673 -5.749) 13.013 34.850 ( -2.330 -5.719 1.571) 6.372 34.863 ( -0.932 -5.480 2.034) 5.919 34.882 ( -1.486 -7.443 0.095) 7.590 34.909 ( -1.482 -5.335 0.344) 5.548 ======================= Grid point 59 (30/50) ======================= q-point: (-0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( -2.304 4.004 6.995) 8.383 1.656 ( -0.410 4.400 5.679) 7.196 1.915 ( 8.204 3.230 10.207) 13.488 2.156 ( 1.337 10.738 10.422) 15.023 2.203 ( -10.344 -0.989 1.092) 10.449 2.269 ( -7.807 2.420 8.493) 11.787 2.422 ( 5.559 -1.471 5.457) 7.927 2.609 ( -0.414 4.223 -6.812) 8.026 2.757 ( 2.364 -4.460 20.813) 21.416 2.783 ( -4.273 -4.132 9.215) 10.966 2.956 ( 3.742 9.709 -4.907) 11.504 3.093 ( 1.074 7.241 -4.848) 8.779 3.147 ( 3.433 2.077 -6.598) 7.722 3.216 ( 2.100 5.378 3.645) 6.828 3.439 ( -1.149 -2.497 -9.079) 9.486 3.469 ( -0.851 10.202 6.540) 12.148 3.604 ( 1.167 -2.894 14.087) 14.429 3.700 ( 13.016 8.674 -6.490) 16.934 3.755 ( 0.014 6.131 -4.183) 7.422 3.880 ( -5.284 2.212 -4.764) 7.451 4.146 ( -8.772 9.908 -2.520) 13.471 4.273 ( 4.953 3.657 3.959) 7.320 4.346 ( -4.500 5.180 -3.342) 7.632 4.456 ( 5.904 7.238 6.920) 11.624 4.804 ( 7.484 11.434 -9.507) 16.648 4.892 ( -3.266 8.747 -2.141) 9.579 5.010 ( 4.169 4.688 -4.629) 7.796 5.041 ( -4.964 5.566 -8.112) 11.019 5.092 ( -2.711 8.027 -7.867) 11.562 5.420 ( -4.496 8.781 -2.302) 10.131 5.433 ( 0.695 12.590 7.983) 14.923 5.513 ( -3.515 -6.557 -16.461) 18.064 5.651 ( -6.075 8.698 3.294) 11.109 5.709 ( -0.490 -16.786 -6.998) 18.193 5.776 ( -1.180 10.637 0.733) 10.727 5.903 ( -1.117 -7.939 -7.305) 10.846 6.105 ( -8.471 13.344 -3.547) 16.199 6.207 ( -2.742 -0.889 1.410) 3.209 6.257 ( -4.135 6.318 -2.998) 8.124 6.391 ( -4.097 3.674 -1.467) 5.695 6.433 ( 2.656 10.256 -2.706) 10.934 6.504 ( -8.035 2.390 -0.681) 8.411 6.506 ( 7.466 5.055 -0.122) 9.017 6.595 ( 7.059 3.241 0.959) 7.827 6.652 ( 3.678 14.969 11.593) 19.287 6.777 ( 9.470 4.907 -2.510) 10.957 6.871 ( -3.002 1.313 12.108) 12.544 6.937 ( -1.711 6.537 -4.578) 8.162 7.069 ( 8.415 3.174 6.626) 11.171 7.119 ( 16.591 -2.569 1.835) 16.889 7.223 ( -9.669 -0.710 -4.434) 10.661 7.307 ( -5.062 2.749 -7.000) 9.066 7.439 ( -6.353 12.563 0.566) 14.089 7.481 ( 5.774 0.969 8.141) 10.028 7.503 ( -11.079 1.871 -2.606) 11.534 7.594 ( -3.829 5.032 7.137) 9.535 7.757 ( 5.655 4.408 6.178) 9.464 7.791 ( 1.710 13.358 -3.690) 13.963 7.845 ( 4.738 2.698 0.667) 5.493 7.978 ( -3.256 7.268 -9.851) 12.667 8.086 ( 2.074 -0.697 -6.410) 6.773 8.205 ( -0.918 4.006 0.991) 4.228 8.269 ( 2.311 0.036 5.533) 5.996 8.340 ( -4.863 -3.604 -5.461) 8.153 8.376 ( 1.317 2.589 -2.055) 3.558 8.447 ( 2.199 1.980 5.001) 5.811 8.491 ( 10.253 -3.688 3.000) 11.301 8.643 ( -7.264 -0.164 -5.510) 9.119 8.780 ( 0.621 4.983 -4.058) 6.457 8.812 ( 6.765 4.015 2.915) 8.390 8.937 ( 1.452 2.165 -2.787) 3.817 8.960 ( 0.709 0.022 -2.209) 2.320 9.156 ( -2.857 -1.844 2.005) 3.948 9.389 ( -4.618 0.892 1.281) 4.874 9.421 ( -5.662 -7.465 -1.209) 9.447 9.494 ( -1.513 -4.575 4.018) 6.274 9.565 ( 0.456 0.618 -2.762) 2.867 9.646 ( -0.602 -6.758 -2.841) 7.355 9.701 ( -8.775 -10.665 5.887) 15.013 9.934 ( 8.503 -11.777 3.972) 15.059 10.197 ( 2.008 -5.397 3.201) 6.588 10.287 ( -0.788 -2.221 6.166) 6.601 10.388 ( -2.512 -1.010 -1.129) 2.933 10.534 ( 3.750 -5.081 -0.292) 6.321 10.613 ( -2.647 -4.190 -0.806) 5.021 10.660 ( 0.666 -6.944 -2.294) 7.344 10.893 ( -1.271 -5.689 -3.006) 6.559 10.923 ( 2.397 -7.252 -2.393) 8.004 11.268 ( -1.478 -0.474 -0.252) 1.572 11.344 ( 1.289 4.417 -3.203) 5.606 11.356 ( 0.338 2.751 -0.137) 2.775 11.463 ( -1.959 0.343 -1.643) 2.580 11.596 ( -0.104 -6.039 -0.294) 6.047 11.686 ( -1.210 -1.797 2.064) 2.992 11.774 ( 0.650 -2.560 -0.308) 2.659 11.809 ( 0.228 -0.721 0.470) 0.890 11.831 ( -3.102 0.067 -2.355) 3.896 11.958 ( 0.243 -0.123 -0.845) 0.887 12.004 ( -2.259 0.435 2.313) 3.263 12.125 ( 5.342 2.095 0.265) 5.744 12.157 ( -2.559 -6.175 0.039) 6.685 12.300 ( 1.311 -5.216 3.452) 6.391 12.362 ( -4.665 -2.567 -1.551) 5.546 12.439 ( 8.261 -6.828 -3.311) 11.217 16.313 ( -1.109 8.726 3.399) 9.430 16.359 ( 2.487 5.744 2.540) 6.755 16.439 ( 5.926 8.657 5.003) 11.623 16.461 ( 2.690 3.500 3.269) 5.493 16.702 ( -0.210 4.438 -0.787) 4.512 16.801 ( 1.819 -0.056 0.626) 1.925 16.885 ( -5.808 1.452 -0.435) 6.003 16.935 ( 3.926 -3.181 -1.615) 5.305 16.992 ( 0.372 -0.411 2.059) 2.133 17.076 ( 0.183 -1.211 5.056) 5.202 17.158 ( -1.417 1.307 0.340) 1.958 17.184 ( 1.299 3.211 4.494) 5.674 17.253 ( 3.319 0.193 0.225) 3.332 17.289 ( 1.374 2.368 0.586) 2.800 17.333 ( 3.059 1.167 0.303) 3.288 17.369 ( 1.216 0.627 7.776) 7.896 17.618 ( -4.668 4.500 -2.671) 7.012 17.629 ( -0.673 4.142 -4.352) 6.046 17.697 ( 0.317 4.462 -6.834) 8.168 17.780 ( -0.290 2.164 -6.286) 6.654 17.844 ( -1.013 -0.408 0.716) 1.306 17.898 ( 0.996 -1.276 5.873) 6.092 18.041 ( -4.020 -0.715 -5.471) 6.827 18.098 ( -1.692 -1.915 -0.998) 2.743 19.237 ( 5.555 58.327 -1.609) 58.613 19.718 ( -19.735 53.381 -20.036) 60.336 19.801 ( -16.641 52.536 20.285) 58.723 20.409 ( 37.992 41.967 1.447) 56.627 22.199 ( -5.681 -28.939 2.540) 29.601 22.298 ( 0.942 -32.913 6.067) 33.480 22.403 ( 0.803 -37.323 -2.438) 37.411 22.510 ( 0.636 -47.748 0.848) 47.760 28.481 ( -8.321 2.431 -3.511) 9.353 28.565 ( 1.451 2.698 -3.613) 4.737 28.579 ( 2.433 2.024 -5.939) 6.730 28.607 ( -0.953 2.081 -4.966) 5.468 28.790 ( -6.122 -0.332 -0.784) 6.181 28.874 ( 1.328 1.474 -3.280) 3.833 28.973 ( -3.270 4.338 2.893) 6.155 29.039 ( 6.388 -0.333 0.788) 6.445 29.172 ( -4.484 -2.822 0.285) 5.306 29.261 ( -0.434 -9.569 3.891) 10.339 29.292 ( 2.628 -1.759 -3.442) 4.674 29.358 ( 0.604 -7.023 0.489) 7.066 29.766 ( -3.147 -10.628 2.037) 11.270 29.807 ( 0.667 -8.182 3.898) 9.088 29.882 ( 2.091 -10.582 -1.589) 10.903 29.962 ( 2.295 -9.173 -0.369) 9.463 31.601 ( 1.436 -1.621 1.709) 2.759 31.685 ( -0.413 -4.258 5.204) 6.737 31.691 ( -1.136 2.400 -1.007) 2.840 31.743 ( 0.873 1.773 1.701) 2.608 31.933 ( 0.871 1.370 -4.760) 5.029 32.007 ( -3.151 -6.508 -5.167) 8.887 32.105 ( 0.131 -5.835 0.803) 5.892 32.113 ( -1.287 -5.012 0.917) 5.256 34.422 ( 0.217 16.879 1.631) 16.959 34.472 ( -2.204 14.757 2.863) 15.193 34.574 ( 0.482 12.268 -4.378) 13.035 34.618 ( 4.445 11.524 -2.786) 12.662 34.831 ( 0.621 -6.222 1.541) 6.440 34.867 ( -1.989 -3.619 0.705) 4.190 34.901 ( 0.727 -6.459 3.147) 7.221 34.916 ( 0.961 -6.946 2.388) 7.407 ======================= Grid point 60 (31/50) ======================= q-point: (-0.25 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( 7.300 16.247 14.972) 23.268 1.760 ( -9.363 6.329 9.240) 14.598 1.939 ( 5.971 -3.034 6.938) 9.644 2.166 ( -5.522 13.412 7.659) 16.402 2.227 ( -18.132 11.899 -10.802) 24.229 2.343 ( 13.056 14.051 12.615) 22.957 2.476 ( 4.126 5.550 6.223) 9.303 2.649 ( 2.665 7.715 -5.495) 9.839 2.694 ( -7.504 15.847 -15.569) 23.449 2.806 ( 9.279 -6.200 -1.685) 11.286 3.018 ( -0.255 -7.565 -12.594) 14.694 3.122 ( -2.165 9.856 -0.378) 10.098 3.229 ( 7.183 -2.811 3.751) 8.578 3.279 ( 0.647 -1.464 -6.593) 6.785 3.397 ( 16.482 6.620 11.122) 20.957 3.559 ( -11.065 2.335 -2.690) 11.624 3.654 ( 0.057 -3.394 -0.531) 3.436 3.706 ( 3.044 7.413 -8.524) 11.700 3.788 ( 3.400 -7.376 11.404) 14.001 3.952 ( 5.562 -1.125 1.613) 5.899 4.163 ( 0.682 15.290 3.995) 15.818 4.284 ( -3.741 1.267 6.051) 7.226 4.406 ( 9.493 -0.370 6.987) 11.793 4.520 ( 1.732 6.097 5.753) 8.560 4.731 ( -3.848 3.858 -11.416) 12.650 4.808 ( -10.396 2.402 -4.610) 11.623 4.880 ( -5.800 6.571 -4.712) 9.950 4.975 ( -0.579 8.474 0.409) 8.503 5.010 ( -2.872 3.553 -2.427) 5.173 5.186 ( -0.266 -1.920 -3.519) 4.018 5.359 ( -7.271 1.963 2.188) 7.843 5.429 ( -9.822 2.600 -1.111) 10.221 5.494 ( 2.285 5.299 -9.277) 10.925 5.536 ( -8.292 3.340 -2.220) 9.211 5.696 ( -4.116 17.943 4.333) 18.912 5.859 ( 1.349 8.575 2.167) 8.947 6.002 ( 2.018 0.217 2.213) 3.003 6.105 ( -9.276 5.641 2.036) 11.046 6.123 ( -0.489 3.712 -8.050) 8.879 6.249 ( 1.592 6.384 -2.514) 7.043 6.517 ( 5.458 -4.866 -2.514) 7.732 6.590 ( -3.845 -2.782 6.752) 8.254 6.618 ( -7.691 6.265 -0.838) 9.956 6.731 ( 8.502 0.030 -3.692) 9.269 6.848 ( 2.258 4.358 11.144) 12.177 6.872 ( 1.298 0.036 -6.907) 7.028 6.921 ( 5.286 11.352 2.871) 12.847 7.014 ( 6.195 15.057 10.900) 19.593 7.055 ( 2.939 -2.175 1.363) 3.902 7.146 ( -3.945 8.438 3.205) 9.851 7.247 ( 1.632 9.254 1.193) 9.472 7.317 ( -2.419 4.443 1.122) 5.182 7.407 ( 3.532 -3.768 3.345) 6.153 7.466 ( 2.063 4.078 -2.502) 5.211 7.567 ( 5.226 2.573 -1.546) 6.027 7.611 ( -1.085 5.534 -9.689) 11.210 7.681 ( -5.233 10.115 -6.718) 13.222 7.773 ( -6.166 3.752 0.618) 7.244 7.783 ( -1.474 -1.819 -8.657) 8.968 7.849 ( -4.582 3.638 -2.578) 6.394 8.155 ( 7.762 -1.282 8.700) 11.729 8.211 ( -2.565 3.342 -0.220) 4.219 8.269 ( 3.179 0.862 3.092) 4.517 8.340 ( 5.656 4.888 -1.127) 7.559 8.449 ( 2.223 1.177 4.198) 4.894 8.484 ( 2.831 3.150 -0.631) 4.282 8.584 ( -2.340 -0.560 2.313) 3.337 8.721 ( -3.862 6.263 -7.653) 10.616 8.771 ( 5.492 1.753 -6.371) 8.592 8.785 ( 5.702 -1.618 -4.287) 7.315 8.872 ( -0.053 -1.040 -6.194) 6.281 8.988 ( 2.630 2.270 2.039) 4.028 9.058 ( -8.886 -4.148 3.819) 10.524 9.223 ( -12.499 -6.349 2.016) 14.164 9.399 ( -1.503 1.047 7.439) 7.661 9.465 ( 0.541 13.307 -8.949) 16.046 9.549 ( -8.649 -3.686 6.886) 11.654 9.581 ( 1.487 -9.292 9.572) 13.423 9.734 ( 3.813 -7.152 -0.823) 8.147 10.068 ( 1.216 -10.773 -3.670) 11.446 10.282 ( 2.864 -7.005 4.722) 8.920 10.359 ( 1.828 -2.683 0.860) 3.359 10.400 ( 4.189 -8.531 3.422) 10.101 10.546 ( -0.464 -6.087 -0.061) 6.105 10.584 ( -2.853 -8.057 -5.090) 9.948 10.652 ( 3.386 -3.664 2.835) 5.738 10.786 ( -5.172 -5.254 -2.733) 7.863 10.846 ( -5.361 -5.253 -4.006) 8.508 11.279 ( 1.225 1.472 0.784) 2.069 11.300 ( -0.942 2.681 -2.356) 3.692 11.376 ( -1.756 3.124 2.710) 4.493 11.445 ( 5.625 1.454 -3.512) 6.789 11.605 ( -0.347 -5.241 -0.613) 5.288 11.719 ( 0.155 -1.211 2.015) 2.356 11.735 ( -1.554 -3.626 0.024) 3.945 11.775 ( -0.994 -3.796 0.043) 3.924 11.837 ( 0.263 1.251 3.748) 3.960 11.947 ( -3.709 -0.632 0.679) 3.823 11.995 ( 1.866 0.048 1.276) 2.261 12.170 ( 1.101 -6.742 4.315) 8.080 12.192 ( 0.716 1.638 -1.989) 2.675 12.237 ( -4.822 2.093 -1.302) 5.415 12.326 ( -1.953 -5.469 1.862) 6.099 12.551 ( 9.500 -5.633 -9.259) 14.413 16.395 ( 2.596 4.655 2.432) 5.859 16.463 ( 6.829 5.059 -0.331) 8.506 16.532 ( 0.107 3.462 -2.490) 4.265 16.590 ( 9.973 4.669 -4.301) 11.822 16.732 ( 0.523 1.535 5.614) 5.844 16.782 ( -3.442 3.168 -2.543) 5.325 16.820 ( -1.618 -1.603 -0.634) 2.364 16.975 ( 1.344 -1.205 -0.414) 1.852 17.093 ( 7.764 4.018 1.513) 8.872 17.126 ( 3.478 3.539 -0.331) 4.973 17.181 ( 2.759 3.307 -2.460) 4.960 17.248 ( 0.631 3.905 -0.879) 4.052 17.332 ( 2.326 -0.091 4.141) 4.750 17.385 ( 4.134 3.444 4.483) 7.004 17.416 ( 2.301 0.196 1.897) 2.989 17.444 ( -1.361 2.517 -3.384) 4.432 17.488 ( -4.235 1.776 1.576) 4.855 17.555 ( -1.283 2.273 -4.240) 4.979 17.628 ( 0.802 3.229 -2.320) 4.056 17.698 ( 0.233 0.355 -5.562) 5.578 17.833 ( -4.374 0.764 1.056) 4.564 17.873 ( -2.466 -1.156 1.046) 2.917 17.947 ( -4.960 -1.617 5.009) 7.233 17.994 ( -6.024 -2.794 -0.080) 6.641 19.287 ( -7.427 58.638 -8.048) 59.652 19.403 ( 6.558 57.204 9.156) 58.302 19.644 ( -17.208 54.484 9.751) 57.963 21.029 ( 32.603 25.878 -19.946) 46.157 22.183 ( -0.852 -28.031 7.153) 28.942 22.332 ( -5.485 -32.687 4.604) 33.462 22.403 ( 1.812 -41.147 -1.265) 41.206 22.500 ( -0.785 -42.391 -1.646) 42.430 28.329 ( -5.116 0.742 2.110) 5.584 28.387 ( -9.539 -1.069 -1.610) 9.733 28.558 ( 0.349 2.511 -1.121) 2.772 28.583 ( 2.544 2.022 -1.661) 3.650 28.698 ( -4.862 3.647 1.914) 6.372 28.846 ( -2.507 -3.469 -0.660) 4.331 28.924 ( -4.287 1.081 0.366) 4.436 29.110 ( -1.160 1.291 1.171) 2.094 29.121 ( 2.718 1.367 0.908) 3.175 29.180 ( -4.728 -1.595 0.234) 4.996 29.331 ( 3.201 0.602 -2.565) 4.146 29.512 ( 7.896 -9.332 3.135) 12.620 29.697 ( -3.805 -10.453 -2.533) 11.409 29.844 ( -1.780 -8.360 4.091) 9.476 29.933 ( 3.862 -9.722 -1.817) 10.617 29.996 ( 2.003 -8.223 -1.939) 8.683 31.661 ( 0.578 2.126 -0.929) 2.391 31.682 ( 3.274 0.085 1.331) 3.535 31.753 ( 0.550 -0.849 1.921) 2.171 31.790 ( 2.322 -0.061 2.567) 3.462 31.875 ( -3.136 -3.156 -2.641) 5.173 31.899 ( -0.937 -3.939 -1.391) 4.281 31.997 ( -7.468 -4.169 0.342) 8.560 32.144 ( 0.138 -8.323 0.771) 8.360 34.449 ( -0.366 17.679 2.049) 17.802 34.469 ( -0.792 16.748 1.975) 16.883 34.560 ( 2.786 11.531 -4.342) 12.632 34.669 ( 4.276 7.752 -3.429) 9.494 34.823 ( -2.749 2.356 1.184) 3.809 34.894 ( 2.085 -8.570 1.193) 8.901 34.927 ( 0.588 -5.502 0.380) 5.547 34.969 ( 1.114 -10.275 0.623) 10.354 ======================= Grid point 61 (32/50) ======================= q-point: ( 0.00 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( 3.503 7.482 -5.814) 10.102 1.864 ( 2.725 -1.533 -16.608) 16.900 2.090 ( -6.799 10.756 -15.425) 19.996 2.324 ( -8.098 -0.009 -6.446) 10.350 2.447 ( -4.202 3.801 4.482) 7.225 2.503 ( -19.542 11.902 3.920) 23.214 2.532 ( 6.113 -4.425 -2.499) 7.949 2.590 ( -1.937 7.772 -7.043) 10.666 2.762 ( 0.373 -4.507 -8.469) 9.600 2.961 ( -0.625 -9.898 8.198) 12.867 2.983 ( 0.951 7.124 8.658) 11.252 3.125 ( -1.020 6.575 4.016) 7.772 3.222 ( -4.188 -5.837 2.731) 7.686 3.337 ( -13.208 -6.828 10.448) 18.172 3.382 ( 0.010 -0.880 -1.514) 1.752 3.449 ( 2.292 -11.479 8.898) 14.703 3.560 ( 15.870 7.619 3.066) 17.869 3.721 ( -12.219 -4.282 -11.264) 17.161 3.829 ( -8.837 12.982 -4.706) 16.394 4.107 ( 9.928 25.297 -3.612) 27.415 4.134 ( 12.088 -10.753 -5.470) 17.078 4.405 ( -9.791 16.679 -5.248) 20.039 4.515 ( 0.099 4.747 -5.727) 7.439 4.675 ( 7.342 -13.438 5.243) 16.186 4.712 ( -0.678 -5.056 -6.922) 8.599 4.840 ( 2.179 -14.230 0.306) 14.399 4.936 ( 7.617 2.536 6.082) 10.071 4.990 ( 3.171 9.793 -3.061) 10.739 5.066 ( 6.216 3.423 4.516) 8.412 5.083 ( 12.159 -14.572 11.978) 22.442 5.263 ( 3.802 -1.108 0.934) 4.068 5.315 ( 9.211 -5.659 -2.686) 11.139 5.679 ( -2.750 10.056 5.767) 11.914 5.803 ( -1.636 4.047 8.203) 9.292 5.965 ( -3.528 10.021 4.846) 11.677 6.022 ( -1.440 10.612 5.734) 12.148 6.060 ( -4.093 9.320 3.978) 10.929 6.181 ( 3.386 -1.281 0.416) 3.644 6.254 ( -1.543 -0.982 3.244) 3.724 6.308 ( -2.550 -14.163 6.188) 15.665 6.395 ( -0.465 6.743 1.450) 6.913 6.433 ( -1.098 -4.081 5.512) 6.945 6.595 ( -3.520 -1.757 1.674) 4.275 6.699 ( -0.910 -12.190 -2.373) 12.452 6.809 ( 3.740 8.301 -6.185) 11.007 6.872 ( 0.926 5.542 4.234) 7.035 6.987 ( -0.549 -5.447 -5.240) 7.579 7.017 ( 0.733 -2.938 -2.704) 4.059 7.192 ( 3.333 -0.408 14.726) 15.104 7.243 ( -12.121 5.309 -7.492) 15.206 7.300 ( 5.494 -3.325 -2.790) 7.002 7.335 ( -9.094 -3.522 -11.440) 15.032 7.523 ( -1.330 5.737 3.464) 6.832 7.565 ( -7.417 3.004 -0.972) 8.061 7.629 ( -4.912 8.468 -3.455) 10.381 7.712 ( 2.878 5.970 4.188) 7.840 7.803 ( 11.260 3.131 10.767) 15.891 7.881 ( -8.360 1.833 1.160) 8.637 7.956 ( 8.759 1.832 0.845) 8.989 8.038 ( 1.731 4.658 2.005) 5.358 8.148 ( 3.132 7.200 2.298) 8.181 8.266 ( 1.079 4.751 -0.838) 4.943 8.294 ( 4.209 -3.407 -4.873) 7.285 8.329 ( -1.097 -0.124 -4.739) 4.866 8.467 ( -6.939 2.689 2.429) 7.828 8.531 ( -4.805 -2.236 5.790) 7.850 8.642 ( -1.263 6.328 -4.994) 8.160 8.710 ( 0.660 -0.741 -3.706) 3.836 8.807 ( 1.709 2.116 0.194) 2.727 8.871 ( 3.558 -1.096 -1.839) 4.153 8.943 ( 5.867 4.538 -6.268) 9.711 8.988 ( 0.271 1.038 -8.354) 8.423 9.114 ( 4.202 6.041 -0.607) 7.383 9.168 ( 7.830 1.353 5.502) 9.665 9.312 ( -7.824 -1.602 3.628) 8.772 9.369 ( -4.706 -7.261 1.690) 8.817 9.472 ( 2.540 -7.295 -2.093) 8.003 9.495 ( -0.410 -5.541 4.852) 7.376 9.721 ( -7.422 0.836 -7.201) 10.375 9.822 ( -2.986 -6.937 -6.400) 9.900 10.223 ( 3.327 3.269 1.397) 4.869 10.341 ( 1.584 -2.478 0.423) 2.971 10.385 ( 1.129 -2.112 -2.431) 3.413 10.418 ( 0.302 -2.305 -3.990) 4.618 10.492 ( -0.587 -0.108 3.566) 3.616 10.563 ( -4.577 -4.900 1.623) 6.899 10.680 ( 5.273 -3.057 1.225) 6.217 10.700 ( 3.349 -4.448 2.978) 6.314 11.352 ( 1.823 2.831 0.955) 3.500 11.382 ( -2.118 6.472 -3.040) 7.458 11.406 ( 1.245 -1.775 -3.125) 3.804 11.509 ( 0.208 -1.903 -3.581) 4.061 11.616 ( 3.883 4.220 6.043) 8.331 11.649 ( 1.427 0.295 0.998) 1.766 11.716 ( -0.306 0.229 1.235) 1.293 11.746 ( 2.959 -0.380 1.313) 3.259 11.868 ( -3.269 0.435 -0.820) 3.398 11.939 ( -1.780 3.204 3.901) 5.353 12.018 ( -4.323 -7.678 3.426) 9.454 12.053 ( -1.820 -5.074 5.448) 7.664 12.160 ( -1.287 5.752 2.055) 6.243 12.243 ( 0.748 2.666 -4.644) 5.407 12.270 ( 0.161 -0.652 -2.962) 3.037 12.388 ( 1.026 -11.043 -6.877) 13.049 16.501 ( -0.183 6.074 -3.521) 7.023 16.548 ( -2.255 4.026 -5.379) 7.087 16.623 ( -1.471 2.471 -3.173) 4.282 16.627 ( 0.975 1.390 -2.395) 2.936 16.727 ( -1.358 -2.284 2.184) 3.440 16.747 ( -0.042 -4.263 3.002) 5.214 16.883 ( 0.868 2.326 -1.348) 2.825 16.931 ( -1.626 -1.907 -2.964) 3.882 17.181 ( -5.720 3.983 -7.374) 10.147 17.220 ( -3.396 1.235 -3.818) 5.256 17.229 ( -1.560 2.839 -5.140) 6.076 17.272 ( 0.399 -0.223 -2.550) 2.591 17.385 ( -6.343 1.129 3.134) 7.165 17.412 ( -3.710 -1.078 1.066) 4.008 17.438 ( -0.571 1.853 0.424) 1.985 17.472 ( -1.033 -0.533 0.410) 1.233 17.510 ( 8.153 3.060 -0.373) 8.716 17.565 ( 6.063 -1.904 -2.396) 6.792 17.658 ( 2.463 0.972 -2.404) 3.577 17.675 ( -2.941 0.062 -1.682) 3.388 17.833 ( 1.616 0.603 5.722) 5.976 17.859 ( 2.723 -0.668 4.955) 5.693 17.914 ( -1.179 -0.739 6.360) 6.510 17.944 ( 3.816 -2.651 5.950) 7.549 20.419 ( 7.162 49.625 1.446) 50.160 20.507 ( -7.645 49.145 -1.753) 49.767 20.681 ( -0.504 45.183 13.293) 47.101 21.297 ( 5.925 -26.505 -3.326) 27.363 21.476 ( -2.397 -43.874 -1.208) 43.956 21.573 ( 0.325 -37.197 4.856) 37.514 21.628 ( -4.618 1.263 -11.236) 12.213 21.961 ( -0.326 -18.509 -7.339) 19.913 28.339 ( 1.437 1.026 5.961) 6.217 28.361 ( 3.212 -1.155 7.020) 7.806 28.578 ( -0.400 2.080 -2.720) 3.447 28.613 ( -1.599 -0.897 -2.702) 3.265 28.749 ( 6.383 2.161 6.570) 9.411 28.812 ( 6.199 -3.873 8.234) 11.010 29.001 ( -2.088 10.794 -0.755) 11.020 29.158 ( -2.969 3.671 -1.147) 4.858 29.185 ( -0.117 2.670 -1.445) 3.038 29.282 ( 0.315 4.053 0.272) 4.074 29.289 ( -2.894 -10.365 -5.994) 12.319 29.356 ( 0.220 -2.804 -1.320) 3.107 29.541 ( -0.155 1.208 2.852) 3.101 29.697 ( -0.789 -3.469 -1.566) 3.887 29.718 ( -0.085 -12.125 -0.639) 12.142 29.767 ( -0.947 -9.354 -3.807) 10.144 31.691 ( -6.074 0.721 -2.341) 6.549 31.709 ( -3.167 -0.045 -2.018) 3.756 31.728 ( -0.197 1.341 -1.685) 2.163 31.771 ( 2.365 -1.815 -2.314) 3.774 31.860 ( -0.912 2.401 2.643) 3.685 31.865 ( 5.299 0.206 2.572) 5.893 31.907 ( 5.967 -3.456 5.157) 8.611 31.974 ( -1.887 -7.349 1.775) 7.792 34.680 ( -2.834 6.339 -0.072) 6.944 34.701 ( 0.357 4.664 -0.667) 4.725 34.712 ( -0.972 4.315 -0.150) 4.425 34.757 ( 1.055 -0.417 -1.447) 1.839 34.800 ( 0.312 -1.599 1.414) 2.157 34.827 ( -0.507 -2.618 0.584) 2.730 34.884 ( -0.638 2.267 -2.075) 3.138 34.898 ( -0.110 0.679 -1.856) 1.980 ======================= Grid point 62 (33/50) ======================= q-point: ( 0.25 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( -2.963 18.039 -8.095) 19.993 1.793 ( 3.738 4.004 -4.127) 6.859 2.032 ( -5.561 -3.339 2.919) 7.113 2.051 ( -2.702 -1.160 -0.028) 2.940 2.194 ( -1.973 10.051 7.892) 12.931 2.347 ( -10.192 -2.432 -7.427) 12.843 2.441 ( -14.735 -8.116 3.991) 17.290 2.499 ( -2.088 -6.765 6.504) 9.614 2.606 ( -21.329 -0.247 0.076) 21.330 2.840 ( -13.868 -13.101 15.505) 24.584 2.968 ( -2.623 14.507 -3.260) 15.098 3.118 ( 2.929 4.734 5.482) 7.813 3.184 ( -3.386 -1.602 2.722) 4.630 3.270 ( -1.405 -7.264 1.685) 7.588 3.368 ( 0.867 -8.070 -6.158) 10.188 3.467 ( -4.681 -10.919 -2.086) 12.062 3.715 ( 11.234 9.412 -0.438) 14.662 3.847 ( 8.982 4.024 2.623) 10.185 3.888 ( 12.044 26.151 -3.053) 28.952 4.168 ( -3.861 15.829 -0.261) 16.295 4.286 ( 10.454 4.824 -5.481) 12.751 4.378 ( 6.767 10.151 -4.933) 13.159 4.447 ( -4.090 6.932 2.539) 8.439 4.575 ( 2.877 -10.198 5.198) 11.802 4.720 ( -4.711 -1.968 -1.785) 5.408 5.022 ( 12.815 -20.792 -7.307) 25.494 5.068 ( 5.815 3.729 -7.853) 10.459 5.157 ( 8.968 4.524 1.776) 10.200 5.199 ( 3.422 -7.135 -4.733) 9.220 5.310 ( 1.127 -6.466 -5.410) 8.506 5.354 ( 6.840 -3.646 -4.528) 8.977 5.435 ( 9.897 -4.954 -7.443) 13.337 5.658 ( -4.644 9.559 3.797) 11.286 5.745 ( -4.919 5.218 8.384) 11.032 5.925 ( -6.459 9.694 1.377) 11.730 6.046 ( -3.133 4.685 -0.039) 5.636 6.148 ( -1.520 0.019 2.319) 2.773 6.221 ( -1.333 -1.584 2.263) 3.067 6.328 ( 10.921 -2.142 4.353) 11.950 6.353 ( 4.941 -4.231 2.845) 7.100 6.476 ( -0.974 3.779 9.492) 10.263 6.516 ( 2.846 2.707 -0.418) 3.950 6.602 ( 3.984 -1.201 -4.909) 6.435 6.699 ( 1.005 -8.809 -2.274) 9.154 6.789 ( -3.029 6.888 6.171) 9.732 6.857 ( 4.849 5.436 1.484) 7.434 6.985 ( -7.542 5.835 3.478) 10.150 7.005 ( -0.783 7.291 -6.482) 9.787 7.081 ( -3.088 2.064 6.034) 7.086 7.126 ( -0.967 -2.678 3.895) 4.825 7.247 ( -1.422 4.858 -1.078) 5.175 7.358 ( 5.467 -4.549 -1.088) 7.195 7.470 ( -10.421 2.448 -0.504) 10.717 7.527 ( 2.496 -0.349 3.804) 4.564 7.591 ( -13.829 3.250 3.109) 14.542 7.692 ( -8.834 -5.251 8.945) 13.624 7.863 ( 6.600 2.610 4.440) 8.372 7.908 ( 5.465 -0.145 3.293) 6.382 7.960 ( -0.698 6.970 -9.463) 11.773 8.051 ( -1.826 0.437 -13.276) 13.409 8.140 ( 0.640 7.295 -3.861) 8.278 8.187 ( 7.112 2.901 -1.041) 7.752 8.324 ( -5.872 2.335 4.297) 7.642 8.387 ( -7.035 -2.284 0.021) 7.396 8.500 ( -0.413 6.488 1.651) 6.707 8.531 ( -0.099 8.966 -4.151) 9.880 8.631 ( 12.384 4.313 2.776) 13.404 8.697 ( -0.167 5.470 -0.096) 5.473 8.745 ( -3.464 -5.755 -7.290) 9.913 8.830 ( 2.867 3.432 -3.828) 5.887 8.908 ( -0.622 -1.522 7.475) 7.654 8.964 ( -0.077 -2.734 -8.149) 8.596 9.146 ( 1.445 4.952 -2.485) 5.726 9.271 ( -0.069 -3.150 4.365) 5.384 9.394 ( 2.892 -6.042 -5.554) 8.701 9.418 ( 3.961 -5.269 -4.212) 7.823 9.466 ( 1.256 -2.065 3.114) 3.942 9.520 ( 3.607 -5.595 7.187) 9.796 9.578 ( -5.419 -2.160 2.359) 6.292 9.656 ( -7.103 -7.510 1.473) 10.441 10.221 ( -3.301 3.166 -2.834) 5.381 10.275 ( -3.901 -1.855 -2.157) 4.828 10.379 ( 4.842 2.248 -0.050) 5.339 10.455 ( 2.202 -4.785 -1.589) 5.501 10.528 ( -0.595 -1.771 1.631) 2.480 10.558 ( -0.690 -4.992 1.683) 5.313 10.772 ( 3.789 -2.416 -1.356) 4.694 10.782 ( 3.207 -3.643 -1.149) 4.988 11.338 ( 1.506 6.137 -1.832) 6.580 11.420 ( 3.839 1.901 -1.011) 4.402 11.454 ( 4.274 1.250 1.190) 4.610 11.461 ( 1.234 -1.466 -5.921) 6.224 11.605 ( -4.419 1.610 -1.812) 5.040 11.659 ( -3.076 -3.073 -2.049) 4.806 11.773 ( -0.745 6.566 6.234) 9.085 11.798 ( -0.487 2.010 -0.109) 2.071 11.860 ( 3.971 -0.177 1.602) 4.286 11.946 ( -2.607 -1.167 6.624) 7.214 12.033 ( -1.576 -2.129 5.194) 5.830 12.062 ( -0.136 -2.378 2.373) 3.362 12.150 ( -1.039 1.087 0.323) 1.538 12.177 ( -1.774 1.386 -2.751) 3.555 12.243 ( 0.439 -3.914 -2.662) 4.754 12.316 ( 0.007 -9.061 -5.101) 10.398 16.446 ( -2.263 5.026 -2.344) 5.990 16.465 ( -1.082 4.845 -0.316) 4.975 16.554 ( -1.477 5.865 0.753) 6.095 16.615 ( -0.748 4.231 -0.170) 4.300 16.754 ( -1.085 -1.462 1.015) 2.085 16.772 ( 2.384 -1.468 1.968) 3.423 16.819 ( -3.832 -3.694 -0.655) 5.363 16.848 ( -3.868 -4.835 -0.611) 6.222 17.038 ( -4.768 2.876 1.696) 5.821 17.074 ( -6.889 -0.679 0.251) 6.927 17.219 ( 1.546 2.701 -1.310) 3.377 17.248 ( -3.293 1.277 -0.559) 3.576 17.266 ( -5.573 1.718 0.245) 5.837 17.283 ( -1.336 -0.496 -0.395) 1.479 17.345 ( -3.201 -0.139 -1.776) 3.664 17.365 ( -5.579 -1.465 0.891) 5.837 17.695 ( 6.186 2.185 1.710) 6.779 17.697 ( 7.259 2.342 2.753) 8.109 17.752 ( 6.784 2.191 -3.536) 7.958 17.787 ( 5.748 -0.772 -3.055) 6.555 17.837 ( -1.362 0.332 0.379) 1.452 17.863 ( -3.640 -2.073 0.941) 4.293 18.030 ( 4.274 0.768 1.352) 4.548 18.062 ( 2.276 -2.215 1.014) 3.334 20.374 ( -1.434 50.615 -4.249) 50.814 20.707 ( 15.291 42.036 5.884) 45.116 20.767 ( -4.494 39.180 14.105) 41.883 21.179 ( -12.030 31.375 -19.289) 38.745 21.421 ( 0.714 -42.839 -0.188) 42.845 21.539 ( 6.559 -35.842 4.219) 36.681 21.640 ( -2.269 -36.556 7.555) 37.397 21.789 ( -7.159 -27.349 -8.707) 29.581 28.522 ( 9.601 3.514 5.492) 11.606 28.583 ( 8.274 -0.207 -1.501) 8.412 28.604 ( 6.789 -0.498 -0.577) 6.832 28.619 ( 7.140 -1.797 -1.023) 7.433 28.823 ( -8.975 6.656 -5.574) 12.487 28.953 ( -0.884 1.659 -0.929) 2.097 28.987 ( -4.198 -2.888 -4.420) 6.746 29.052 ( 5.840 -3.361 9.939) 12.008 29.153 ( -1.298 5.349 -0.429) 5.521 29.234 ( -1.805 4.145 -1.100) 4.653 29.248 ( -1.622 -1.099 -0.451) 2.011 29.323 ( -1.493 -1.298 -0.508) 2.042 29.572 ( -0.747 -3.757 3.448) 5.154 29.647 ( -2.425 -5.751 -2.292) 6.648 29.684 ( -2.327 -9.433 0.423) 9.725 29.708 ( -0.308 -10.014 -1.321) 10.105 31.582 ( -3.617 -0.096 0.565) 3.662 31.606 ( -4.111 -2.494 1.674) 5.091 31.773 ( 3.092 3.719 -0.345) 4.849 31.792 ( 0.179 4.308 -0.349) 4.325 31.887 ( 2.683 -4.979 -0.030) 5.656 31.939 ( -1.840 -7.250 -1.445) 7.618 31.975 ( 3.980 2.556 -1.092) 4.855 32.039 ( 3.079 -3.455 1.641) 4.910 34.615 ( -2.834 4.067 0.366) 4.970 34.649 ( -3.265 1.370 1.281) 3.765 34.742 ( 2.412 4.824 0.176) 5.396 34.777 ( 1.123 2.245 -0.496) 2.559 34.810 ( -0.822 1.766 0.689) 2.067 34.824 ( -0.738 -0.562 0.696) 1.159 34.835 ( -1.390 1.158 -0.433) 1.861 34.862 ( -1.149 -0.826 -1.410) 1.998 ======================= Grid point 63 (34/50) ======================= q-point: (-0.50 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( 9.586 17.456 0.006) 19.915 1.847 ( -2.829 7.241 -0.522) 7.792 1.992 ( 12.705 2.200 0.955) 12.930 2.077 ( -11.830 -6.294 -4.846) 14.249 2.224 ( 5.136 1.815 6.694) 8.631 2.355 ( 3.758 0.118 8.333) 9.142 2.399 ( 6.349 -9.217 20.369) 23.241 2.532 ( -9.619 -11.740 7.532) 16.944 2.558 ( 9.615 10.380 16.535) 21.762 2.827 ( 0.078 -6.267 26.161) 26.901 3.016 ( 1.526 8.466 -8.234) 11.908 3.104 ( -0.837 -0.640 -0.443) 1.143 3.210 ( 0.822 -3.635 3.458) 5.084 3.256 ( -5.037 2.165 3.180) 6.339 3.344 ( -1.174 -9.762 -2.359) 10.111 3.426 ( 5.859 -10.856 -4.316) 13.069 3.812 ( -2.689 9.787 -4.718) 11.193 3.892 ( -4.137 21.562 -5.660) 22.673 3.974 ( 0.814 0.956 -8.962) 9.049 4.030 ( -2.237 13.212 0.455) 13.407 4.238 ( -2.050 13.216 0.251) 13.376 4.347 ( -3.305 -1.369 -1.983) 4.090 4.558 ( 4.175 6.132 -0.628) 7.445 4.644 ( 4.910 12.072 2.908) 13.352 4.868 ( 2.637 -12.258 5.040) 13.513 4.923 ( -5.107 0.851 -14.189) 15.104 4.978 ( 3.980 -7.663 -9.172) 12.597 5.097 ( -4.819 -4.447 -9.706) 11.714 5.175 ( -3.323 -8.393 -14.170) 16.801 5.216 ( -0.533 -7.936 -9.873) 12.678 5.313 ( 4.757 0.090 -13.707) 14.509 5.422 ( -4.597 -10.444 -11.042) 15.879 5.720 ( -6.356 9.601 4.527) 12.372 5.782 ( 10.683 10.220 6.623) 16.201 5.875 ( -6.317 4.499 6.242) 9.955 5.998 ( 1.435 -6.167 3.671) 7.319 6.110 ( -5.178 6.384 2.924) 8.725 6.230 ( 2.786 -0.362 -2.318) 3.642 6.379 ( -10.999 -1.064 1.760) 11.190 6.414 ( -9.779 -4.429 -1.415) 10.828 6.450 ( 2.359 7.965 -0.766) 8.342 6.559 ( -0.049 0.771 -0.732) 1.065 6.656 ( 0.734 2.611 4.291) 5.076 6.730 ( 8.274 -2.153 -1.658) 8.708 6.819 ( 0.533 6.177 4.459) 7.637 6.902 ( -10.527 7.979 -7.224) 15.056 6.953 ( 4.789 5.069 -1.830) 7.209 7.014 ( 2.074 1.946 12.196) 12.523 7.025 ( -7.865 -1.309 -1.535) 8.120 7.114 ( 2.370 -3.852 5.597) 7.196 7.306 ( 3.485 2.860 -0.436) 4.530 7.331 ( -2.524 -0.399 -4.739) 5.384 7.418 ( -9.424 -0.918 7.958) 12.369 7.469 ( 6.320 -2.687 16.134) 17.535 7.603 ( -8.665 3.536 2.364) 9.653 7.675 ( 5.540 -0.890 6.353) 8.476 7.861 ( 0.224 6.770 -3.965) 7.849 7.938 ( 8.069 3.166 -4.256) 9.656 8.012 ( -2.580 1.857 -8.021) 8.628 8.063 ( 4.234 -1.204 -8.288) 9.384 8.170 ( 2.473 9.839 4.172) 10.969 8.227 ( -5.905 0.960 -2.405) 6.448 8.268 ( 3.975 0.284 8.498) 9.386 8.340 ( 6.084 -4.204 4.894) 8.867 8.439 ( 0.445 7.975 -2.311) 8.315 8.480 ( -5.431 6.160 -5.366) 9.810 8.610 ( -2.440 6.480 -4.544) 8.282 8.647 ( -0.093 0.279 -0.678) 0.739 8.829 ( 6.560 1.650 -1.696) 6.974 8.874 ( 3.255 -1.268 -3.201) 4.738 8.971 ( -0.480 1.963 0.108) 2.024 8.995 ( 1.811 0.879 -0.469) 2.067 9.104 ( -2.124 2.457 -1.334) 3.511 9.268 ( 0.723 -8.449 -4.569) 9.632 9.314 ( -5.588 -4.749 0.755) 7.372 9.361 ( 1.307 -4.811 -2.837) 5.737 9.511 ( -2.189 -2.032 0.966) 3.139 9.514 ( -3.348 -2.700 5.613) 7.072 9.651 ( 1.760 -1.036 3.283) 3.867 9.712 ( 5.213 -8.449 4.257) 10.802 10.194 ( 3.522 2.923 0.025) 4.577 10.252 ( 1.057 -2.162 1.803) 3.007 10.409 ( -2.648 2.184 -2.599) 4.306 10.461 ( 0.719 -2.220 1.464) 2.755 10.515 ( -0.163 -4.170 -2.066) 4.657 10.522 ( -2.404 -4.878 -1.570) 5.661 10.786 ( -0.436 -2.899 -2.638) 3.944 10.799 ( 0.700 -3.948 -2.632) 4.796 11.348 ( 1.594 6.310 -2.945) 7.143 11.413 ( -0.283 2.214 -4.744) 5.242 11.482 ( 1.556 1.192 -0.385) 1.998 11.490 ( 0.527 4.957 -2.755) 5.695 11.518 ( -1.566 -1.306 -0.729) 2.166 11.622 ( 1.990 -5.073 1.494) 5.650 11.781 ( -0.263 2.472 -1.913) 3.137 11.824 ( 2.773 0.122 -0.447) 2.812 11.854 ( -7.284 3.710 1.963) 8.407 11.949 ( -4.355 -2.380 6.993) 8.575 12.026 ( -5.228 -0.839 5.360) 7.534 12.074 ( 1.374 4.802 -2.402) 5.542 12.131 ( -2.330 -5.591 3.471) 6.982 12.200 ( 3.051 -1.430 1.058) 3.532 12.277 ( 7.015 -6.165 -3.205) 9.874 12.298 ( 1.068 -3.741 -0.706) 3.954 16.459 ( 3.607 4.920 2.068) 6.441 16.498 ( 4.208 2.170 3.186) 5.707 16.545 ( -3.372 8.403 0.220) 9.057 16.626 ( 2.608 7.821 1.082) 8.315 16.728 ( -1.967 -3.233 1.205) 3.972 16.770 ( -0.460 -1.776 0.045) 1.835 16.827 ( 1.151 -4.390 1.991) 4.956 16.844 ( 0.409 -5.259 1.491) 5.481 17.015 ( 1.437 2.415 4.622) 5.409 17.053 ( 1.698 -1.144 4.783) 5.203 17.205 ( 0.150 2.776 -1.638) 3.227 17.241 ( 1.720 0.614 1.183) 2.176 17.273 ( 2.454 2.034 2.092) 3.813 17.311 ( 2.410 -0.307 2.249) 3.310 17.334 ( 2.459 0.162 3.040) 3.913 17.362 ( 1.430 -1.350 5.644) 5.977 17.687 ( -5.291 2.003 -5.149) 7.650 17.691 ( -3.931 1.619 -4.426) 6.137 17.779 ( -0.468 3.018 -6.688) 7.352 17.805 ( -0.643 0.206 -8.020) 8.048 17.835 ( 1.150 0.011 2.799) 3.026 17.861 ( 1.301 -2.035 5.396) 5.912 18.031 ( -3.479 0.187 -3.625) 5.028 18.054 ( -2.317 -1.879 -1.737) 3.452 20.373 ( 4.408 50.538 -0.800) 50.737 20.716 ( -13.321 42.687 -11.510) 46.175 20.757 ( -10.010 38.338 10.995) 41.121 21.148 ( 20.644 28.086 -0.080) 34.857 21.437 ( 0.614 -43.004 0.267) 43.009 21.555 ( -5.416 -33.268 -3.842) 33.924 21.638 ( -4.902 -35.564 6.525) 36.488 21.792 ( 10.825 -27.180 2.202) 29.339 28.543 ( -10.767 3.355 -5.209) 12.422 28.600 ( -3.850 -0.415 -6.914) 7.924 28.608 ( 2.179 0.815 -5.492) 5.964 28.615 ( -3.928 -0.931 -6.995) 8.076 28.816 ( 6.037 4.166 4.070) 8.389 28.909 ( 7.235 -2.052 0.187) 7.523 29.004 ( 0.671 0.395 1.096) 1.345 29.048 ( -9.416 -2.015 -0.628) 9.649 29.194 ( 1.432 4.750 1.632) 5.223 29.208 ( 1.685 6.268 3.537) 7.391 29.265 ( -0.327 -0.890 -0.573) 1.108 29.306 ( 2.039 -0.320 0.599) 2.149 29.551 ( -3.514 -7.846 0.702) 8.625 29.600 ( 2.527 -11.559 -1.553) 11.934 29.697 ( 0.402 -3.801 3.439) 5.142 29.750 ( 2.798 -8.643 1.735) 9.249 31.580 ( 1.186 -0.056 3.328) 3.534 31.607 ( 0.582 -2.666 4.495) 5.259 31.759 ( -1.066 4.159 -2.682) 5.063 31.809 ( 0.106 3.807 -0.421) 3.832 31.878 ( -1.065 -5.014 -2.459) 5.685 31.947 ( 1.960 -7.081 0.952) 7.409 31.976 ( -0.912 2.560 -3.934) 4.781 32.041 ( -2.857 -3.444 -1.748) 4.804 34.612 ( 1.042 3.584 2.224) 4.345 34.637 ( -0.225 1.617 2.628) 3.094 34.742 ( -1.596 4.945 -1.883) 5.527 34.770 ( 0.688 3.035 -1.837) 3.613 34.804 ( -0.557 1.839 1.533) 2.458 34.831 ( -0.569 -0.923 1.826) 2.123 34.855 ( 2.154 -0.155 0.635) 2.251 34.859 ( 1.385 0.148 0.863) 1.638 ======================= Grid point 64 (35/50) ======================= q-point: (-0.25 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( 0.208 7.835 -6.915) 10.453 1.900 ( 10.879 -1.628 -10.418) 15.151 2.061 ( 22.390 10.126 1.796) 24.639 2.232 ( 7.366 2.045 3.359) 8.350 2.396 ( -4.228 -1.177 0.239) 4.396 2.556 ( 9.486 -0.016 3.232) 10.022 2.631 ( -1.696 7.997 -3.040) 8.722 2.683 ( 3.396 7.242 7.296) 10.826 2.737 ( 15.401 2.043 10.751) 18.893 2.903 ( -20.689 12.751 6.850) 25.250 3.047 ( -0.728 -5.638 3.797) 6.836 3.110 ( -3.754 -18.681 2.494) 19.217 3.197 ( -2.117 -0.112 -8.227) 8.496 3.225 ( -7.503 -1.513 6.472) 10.024 3.351 ( 6.818 2.136 -6.400) 9.592 3.444 ( -4.655 -4.055 7.849) 9.986 3.562 ( 8.657 2.628 8.313) 12.286 3.811 ( -0.603 -4.625 -6.473) 7.978 4.043 ( -10.417 12.527 -5.797) 17.293 4.060 ( -2.613 1.097 3.205) 4.278 4.142 ( 10.207 14.066 -2.119) 17.507 4.373 ( -11.599 5.576 -3.494) 13.336 4.409 ( 15.636 -2.933 2.369) 16.084 4.699 ( 2.032 -4.336 -7.063) 8.534 4.774 ( -3.314 10.335 -1.847) 11.009 4.851 ( -4.986 2.217 -11.436) 12.672 4.958 ( -9.667 -6.518 -6.590) 13.393 4.997 ( 3.557 -2.646 -3.103) 5.412 5.013 ( 0.617 -2.813 1.971) 3.490 5.111 ( -5.789 -4.682 -2.706) 7.922 5.146 ( 4.010 -13.606 -4.142) 14.777 5.211 ( -2.898 -4.466 -4.403) 6.908 5.658 ( -3.079 9.355 4.040) 10.645 5.783 ( -8.109 4.421 5.319) 10.658 5.986 ( -3.958 7.600 7.721) 11.534 6.042 ( -3.006 9.768 1.376) 10.312 6.072 ( 3.357 9.555 3.674) 10.773 6.165 ( -5.944 5.474 -0.122) 8.082 6.283 ( 0.800 -12.601 1.321) 12.696 6.288 ( -5.270 -4.578 4.851) 8.501 6.401 ( -4.627 10.862 1.460) 11.897 6.561 ( -8.903 -2.106 6.894) 11.456 6.619 ( -4.766 -0.288 -4.524) 6.577 6.694 ( -3.118 -6.935 3.317) 8.295 6.775 ( 4.859 -1.894 0.453) 5.235 6.845 ( -1.233 -3.028 -6.313) 7.109 6.967 ( 4.856 -2.298 1.194) 5.503 7.019 ( 6.697 -4.750 2.481) 8.578 7.171 ( -5.283 8.374 -3.062) 10.364 7.279 ( -5.078 -1.068 -3.528) 6.275 7.351 ( 8.658 1.952 0.178) 8.877 7.396 ( 16.475 -3.798 7.229) 18.388 7.504 ( 0.260 7.652 7.679) 10.843 7.553 ( 3.209 8.393 10.023) 13.461 7.576 ( -1.764 -0.702 1.672) 2.530 7.686 ( -4.757 -0.389 1.423) 4.980 7.760 ( -10.447 7.404 -8.225) 15.219 7.917 ( 0.453 0.767 3.231) 3.352 7.983 ( -8.313 6.331 -4.455) 11.360 8.005 ( 0.649 9.321 -10.794) 14.276 8.133 ( 5.313 1.127 3.783) 6.619 8.214 ( 2.269 -1.867 -10.068) 10.488 8.336 ( -5.465 4.358 5.474) 8.878 8.377 ( 0.858 -0.272 0.263) 0.938 8.468 ( 0.046 1.913 9.732) 9.919 8.519 ( 1.029 -0.839 5.260) 5.425 8.640 ( 8.800 5.854 -3.045) 10.999 8.739 ( 6.537 -2.629 -2.260) 7.399 8.805 ( 0.984 2.740 -5.688) 6.390 8.835 ( -3.733 1.342 -9.065) 9.895 8.892 ( 0.413 3.574 -4.006) 5.385 8.995 ( 2.405 -3.278 -0.429) 4.088 9.065 ( -1.324 6.313 0.436) 6.466 9.179 ( -3.110 2.823 -5.328) 6.784 9.327 ( 1.488 -7.096 5.777) 9.271 9.427 ( 3.827 -7.527 1.386) 8.557 9.478 ( -7.291 -2.263 4.651) 8.939 9.496 ( -3.374 -4.320 -0.178) 5.484 9.735 ( 7.708 4.500 0.780) 8.959 9.859 ( 6.066 -8.090 -2.567) 10.432 10.233 ( -2.562 1.066 -2.086) 3.472 10.297 ( 2.462 -1.730 -0.414) 3.037 10.368 ( -0.156 -0.302 0.144) 0.369 10.411 ( -0.321 -5.109 0.875) 5.193 10.480 ( -0.398 0.510 -0.747) 0.988 10.563 ( 3.649 -4.558 3.502) 6.809 10.693 ( -5.587 -2.798 -3.054) 6.955 10.722 ( -4.781 -5.126 -2.631) 7.487 11.344 ( -0.568 3.847 -1.242) 4.082 11.392 ( 3.015 2.004 -1.844) 4.063 11.443 ( 1.809 2.869 -1.901) 3.888 11.507 ( -3.794 5.058 0.922) 6.390 11.536 ( 3.718 -0.803 0.385) 3.823 11.656 ( -0.516 -4.965 -2.766) 5.707 11.714 ( -2.039 0.764 0.091) 2.180 11.731 ( -2.194 -0.708 -1.336) 2.665 11.884 ( 0.776 2.876 3.185) 4.361 11.959 ( -4.804 3.248 3.113) 6.582 11.999 ( -0.700 -8.086 6.063) 10.131 12.089 ( -2.752 -0.597 1.443) 3.164 12.118 ( 0.204 1.329 3.366) 3.625 12.256 ( 2.664 -0.963 -1.965) 3.447 12.296 ( -0.072 1.174 -1.745) 2.104 12.382 ( 6.311 -8.887 -4.273) 11.707 16.519 ( 1.428 6.044 -1.814) 6.470 16.573 ( 3.985 3.381 -0.850) 5.294 16.612 ( 1.861 4.017 1.622) 4.714 16.644 ( 4.316 0.636 -4.047) 5.951 16.721 ( -1.629 -1.895 1.899) 3.139 16.748 ( -2.627 -4.302 1.208) 5.184 16.855 ( 1.943 3.512 0.341) 4.027 16.928 ( 3.559 -3.168 0.086) 4.765 17.176 ( 9.431 3.304 2.081) 10.208 17.188 ( 6.525 2.078 0.036) 6.848 17.239 ( 6.562 1.788 -1.545) 6.975 17.271 ( 4.454 -1.380 -0.929) 4.754 17.354 ( -1.479 2.309 3.083) 4.126 17.399 ( 0.818 -1.509 1.372) 2.198 17.441 ( 1.306 1.654 3.846) 4.386 17.465 ( -0.175 -0.557 1.009) 1.166 17.523 ( -4.192 2.583 -4.589) 6.731 17.571 ( -1.743 -1.212 -5.236) 5.650 17.677 ( 0.783 1.927 -2.631) 3.354 17.706 ( 2.153 -0.136 0.198) 2.166 17.851 ( -8.867 0.847 -3.418) 9.541 17.860 ( -4.570 0.845 4.504) 6.472 17.909 ( -3.534 -1.741 5.275) 6.584 17.922 ( -7.183 -3.326 -1.455) 8.048 20.421 ( -4.895 49.557 -5.766) 50.131 20.510 ( 5.492 49.351 6.271) 50.050 20.671 ( -10.873 44.671 6.499) 46.432 21.283 ( 1.880 -23.701 -6.555) 24.662 21.487 ( 2.638 -42.508 2.450) 42.660 21.540 ( -1.638 -32.988 0.528) 33.033 21.668 ( 6.650 -7.029 -0.855) 9.714 21.961 ( 6.511 -18.201 -3.304) 19.611 28.347 ( -6.605 0.915 1.682) 6.877 28.366 ( -8.209 -0.953 0.489) 8.279 28.605 ( 2.002 1.719 -0.299) 2.655 28.616 ( 3.002 0.840 -0.305) 3.132 28.749 ( -9.169 0.447 -1.728) 9.341 28.773 ( -7.670 -2.577 -2.304) 8.413 29.008 ( 0.304 9.062 1.363) 9.169 29.175 ( 2.101 0.430 1.600) 2.676 29.194 ( 2.469 3.899 0.345) 4.627 29.237 ( 0.579 2.908 -0.846) 3.084 29.310 ( 4.263 -3.502 0.725) 5.564 29.358 ( 1.561 -3.160 -1.598) 3.870 29.516 ( -0.398 -2.158 1.157) 2.481 29.675 ( 4.490 -13.195 -0.750) 13.958 29.723 ( -0.527 -2.200 0.887) 2.430 29.796 ( 1.145 -8.798 -1.159) 8.948 31.686 ( 4.771 1.065 4.002) 6.317 31.707 ( 2.509 0.675 -0.360) 2.623 31.730 ( 3.296 -0.172 2.492) 4.136 31.773 ( 0.413 -2.586 -4.127) 4.888 31.857 ( -2.778 2.557 0.969) 3.898 31.865 ( -4.345 1.368 -2.359) 5.130 31.912 ( -7.245 -3.592 -2.437) 8.446 31.977 ( -0.892 -7.355 2.433) 7.799 34.673 ( 1.529 4.666 1.478) 5.128 34.683 ( 2.319 4.047 1.192) 4.814 34.715 ( 0.060 5.358 -0.365) 5.371 34.760 ( 0.962 1.166 -1.694) 2.271 34.800 ( -1.385 -0.901 0.783) 1.828 34.835 ( -0.867 -3.251 0.823) 3.464 34.892 ( 1.597 1.649 -1.141) 2.563 34.897 ( 1.441 0.942 -0.218) 1.736 ======================= Grid point 81 (36/50) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 1.318 ( 6.605 0.000 -6.055) 8.960 1.318 ( -6.605 0.000 6.055) 8.960 1.640 ( 1.790 0.000 -14.394) 14.505 1.640 ( -1.790 0.000 14.394) 14.505 1.717 ( -5.535 0.000 -4.025) 6.844 1.717 ( 5.535 0.000 4.025) 6.844 1.827 ( -4.180 0.000 -1.686) 4.507 1.827 ( 4.180 0.000 1.686) 4.507 2.284 ( 0.016 0.000 -7.922) 7.922 2.284 ( -0.016 0.000 7.922) 7.922 2.522 ( 3.163 0.000 -11.491) 11.918 2.522 ( -3.163 0.000 11.491) 11.918 2.926 ( 0.071 0.000 -15.315) 15.315 2.926 ( -0.071 0.000 15.315) 15.315 3.149 ( -19.493 0.000 -3.522) 19.809 3.149 ( 19.493 0.000 3.522) 19.809 3.237 ( -19.399 0.000 -0.662) 19.410 3.237 ( 19.399 0.000 0.662) 19.410 3.481 ( 0.467 0.000 -1.324) 1.404 3.481 ( -0.467 0.000 1.324) 1.404 3.539 ( -3.489 0.000 -5.032) 6.123 3.539 ( 3.489 0.000 5.032) 6.123 3.664 ( -2.684 0.000 -4.083) 4.886 3.664 ( 2.684 0.000 4.083) 4.886 4.114 ( -35.331 0.000 -2.809) 35.442 4.114 ( 35.331 0.000 2.809) 35.442 4.501 ( -9.241 0.000 -0.732) 9.270 4.501 ( 9.241 0.000 0.732) 9.270 4.724 ( -2.783 0.000 -5.633) 6.283 4.724 ( 2.783 0.000 5.633) 6.283 4.873 ( -1.451 0.000 -3.206) 3.519 4.873 ( 1.451 0.000 3.206) 3.519 5.161 ( 8.201 0.000 -3.132) 8.779 5.161 ( -8.201 0.000 3.132) 8.779 5.273 ( -16.754 0.000 -18.688) 25.099 5.273 ( 16.754 0.000 18.688) 25.099 5.460 ( 4.960 0.000 -8.200) 9.584 5.460 ( -4.960 0.000 8.200) 9.584 5.688 ( -3.390 0.000 -0.556) 3.436 5.688 ( 3.390 0.000 0.556) 3.436 5.997 ( -13.572 0.000 -14.478) 19.845 5.997 ( 13.572 0.000 14.478) 19.845 6.294 ( -14.097 0.000 -16.279) 21.534 6.294 ( 14.097 0.000 16.279) 21.534 6.639 ( -16.740 0.000 -12.840) 21.098 6.639 ( 16.740 0.000 12.840) 21.098 6.751 ( -18.432 0.000 1.444) 18.488 6.751 ( 18.432 0.000 -1.444) 18.488 6.964 ( -0.692 0.000 -4.616) 4.667 6.964 ( 0.692 0.000 4.616) 4.667 7.084 ( -14.009 0.000 -8.581) 16.428 7.084 ( 14.009 0.000 8.581) 16.428 7.288 ( 5.193 0.000 -5.002) 7.210 7.288 ( -5.193 0.000 5.002) 7.210 7.695 ( 9.794 0.000 -7.655) 12.431 7.695 ( -9.794 0.000 7.655) 12.431 7.797 ( -7.703 0.000 -15.058) 16.914 7.797 ( 7.703 0.000 15.058) 16.914 8.017 ( -7.861 0.000 -5.955) 9.862 8.017 ( 7.861 0.000 5.955) 9.862 8.097 ( -4.641 0.000 -9.145) 10.255 8.097 ( 4.641 0.000 9.145) 10.255 8.226 ( -2.935 0.000 0.512) 2.980 8.226 ( 2.935 0.000 -0.512) 2.980 8.428 ( -10.612 0.000 3.280) 11.107 8.428 ( 10.612 0.000 -3.280) 11.107 8.679 ( 5.918 0.000 -8.782) 10.589 8.679 ( -5.918 0.000 8.782) 10.589 8.874 ( -8.057 0.000 1.397) 8.178 8.874 ( 8.057 0.000 -1.397) 8.178 9.060 ( -14.568 0.000 -13.234) 19.682 9.060 ( 14.568 0.000 13.234) 19.682 9.328 ( -6.232 0.000 -9.577) 11.426 9.328 ( 6.232 0.000 9.577) 11.426 9.353 ( -2.492 0.000 -5.460) 6.002 9.353 ( 2.492 0.000 5.460) 6.002 9.575 ( 13.592 0.000 -14.114) 19.594 9.575 ( -13.592 0.000 14.114) 19.594 10.344 ( -15.882 0.000 -8.386) 17.960 10.344 ( 15.882 0.000 8.386) 17.960 10.450 ( -3.103 0.000 -5.938) 6.700 10.450 ( 3.103 0.000 5.938) 6.700 10.655 ( -2.039 0.000 -2.724) 3.403 10.655 ( 2.039 0.000 2.724) 3.403 10.903 ( -9.100 0.000 -4.375) 10.097 10.903 ( 9.100 0.000 4.375) 10.097 10.988 ( 10.017 0.000 -3.456) 10.596 10.988 ( -10.017 0.000 3.456) 10.596 11.728 ( -4.320 0.000 -6.545) 7.842 11.728 ( 4.320 0.000 6.545) 7.842 11.744 ( -2.368 0.000 -1.977) 3.085 11.744 ( 2.368 0.000 1.977) 3.085 11.928 ( -4.393 0.000 0.534) 4.425 11.928 ( 4.393 0.000 -0.534) 4.425 11.994 ( -2.727 0.000 -6.406) 6.962 11.994 ( 2.727 0.000 6.406) 6.962 12.117 ( 10.465 0.000 -3.999) 11.203 12.117 ( -10.465 0.000 3.999) 11.203 12.187 ( 1.184 0.000 -1.408) 1.840 12.187 ( -1.184 0.000 1.408) 1.840 12.373 ( 3.087 0.000 -2.563) 4.012 12.373 ( -3.087 0.000 2.563) 4.012 12.448 ( -0.084 0.000 -1.720) 1.722 12.448 ( 0.084 0.000 1.720) 1.722 15.870 ( 0.659 0.000 -0.483) 0.817 15.870 ( -0.659 0.000 0.483) 0.817 16.040 ( 0.126 0.000 -1.576) 1.581 16.040 ( -0.126 0.000 1.576) 1.581 16.415 ( -5.695 0.000 -5.898) 8.199 16.415 ( 5.695 0.000 5.898) 8.199 16.704 ( -10.595 0.000 1.513) 10.702 16.704 ( 10.595 0.000 -1.513) 10.702 16.910 ( -1.908 0.000 -2.929) 3.496 16.910 ( 1.908 0.000 2.929) 3.496 17.001 ( -3.418 0.000 -1.713) 3.824 17.001 ( 3.418 0.000 1.713) 3.824 17.027 ( 3.341 0.000 -3.158) 4.597 17.027 ( -3.341 0.000 3.158) 4.597 17.063 ( -0.551 0.000 -1.006) 1.147 17.063 ( 0.551 0.000 1.006) 1.147 17.201 ( -2.837 0.000 0.390) 2.864 17.201 ( 2.837 0.000 -0.390) 2.864 17.220 ( 0.256 0.000 -2.078) 2.093 17.220 ( -0.256 0.000 2.078) 2.093 17.393 ( -1.725 0.000 -5.759) 6.012 17.393 ( 1.725 0.000 5.759) 6.012 17.523 ( -1.320 0.000 -0.023) 1.320 17.523 ( 1.320 0.000 0.023) 1.320 18.086 ( 1.238 0.000 -2.685) 2.956 18.086 ( -1.238 0.000 2.685) 2.956 18.260 ( -3.515 0.000 1.169) 3.704 18.260 ( 3.515 0.000 -1.169) 3.704 23.556 ( -1.218 0.000 -33.087) 33.109 23.556 ( 1.218 0.000 33.087) 33.109 24.972 ( -36.462 0.000 -16.841) 40.163 24.972 ( 36.462 0.000 16.841) 40.163 28.386 ( -2.031 0.000 -3.987) 4.474 28.386 ( 2.031 0.000 3.987) 4.474 28.485 ( -0.578 0.000 -1.028) 1.180 28.485 ( 0.578 0.000 1.028) 1.180 28.941 ( 5.395 0.000 -5.972) 8.048 28.941 ( -5.395 0.000 5.972) 8.048 28.984 ( 2.390 0.000 -5.140) 5.668 28.984 ( -2.390 0.000 5.140) 5.668 29.935 ( -0.247 0.000 -0.233) 0.339 29.935 ( 0.247 0.000 0.233) 0.339 29.988 ( -0.620 0.000 -0.367) 0.721 29.988 ( 0.620 0.000 0.367) 0.721 30.043 ( -0.217 0.000 -0.675) 0.709 30.043 ( 0.217 0.000 0.675) 0.709 30.070 ( -0.352 0.000 -0.020) 0.352 30.070 ( 0.352 0.000 0.020) 0.352 31.596 ( 0.118 0.000 -1.643) 1.647 31.596 ( -0.118 0.000 1.643) 1.647 31.728 ( -3.726 0.000 -2.849) 4.690 31.728 ( 3.726 0.000 2.849) 4.690 31.926 ( -8.125 0.000 0.780) 8.162 31.926 ( 8.125 0.000 -0.780) 8.162 32.228 ( 2.636 0.000 -6.491) 7.006 32.228 ( -2.636 0.000 6.491) 7.006 32.736 ( -17.151 0.000 -11.788) 20.812 32.736 ( 17.151 0.000 11.788) 20.812 33.633 ( -2.987 0.000 -27.611) 27.772 33.633 ( 2.987 0.000 27.611) 27.772 35.560 ( -4.143 0.000 -8.390) 9.357 35.560 ( 4.143 0.000 8.390) 9.357 35.909 ( -3.921 0.000 1.096) 4.072 35.909 ( 3.921 0.000 -1.096) 4.072 ======================= Grid point 83 (37/50) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 1.345 ( 8.591 0.000 -22.225) 23.827 1.437 ( 5.303 0.000 6.992) 8.775 1.483 ( 19.221 0.000 -21.766) 29.038 1.534 ( -1.496 0.000 -4.194) 4.453 1.745 ( 11.782 0.000 -16.145) 19.987 1.757 ( -11.558 0.000 9.026) 14.665 1.836 ( -9.425 0.000 7.756) 12.206 1.959 ( -5.292 0.000 -0.181) 5.295 2.081 ( 10.960 0.000 -21.008) 23.695 2.121 ( 5.223 0.000 10.453) 11.685 2.546 ( -8.279 0.000 -8.250) 11.687 2.672 ( 2.031 0.000 -22.571) 22.663 2.825 ( 5.210 0.000 6.953) 8.689 2.967 ( 14.876 0.000 -0.414) 14.881 3.082 ( -3.063 0.000 9.239) 9.733 3.139 ( -3.941 0.000 9.868) 10.626 3.249 ( -17.110 0.000 2.498) 17.291 3.272 ( -14.956 0.000 19.004) 24.184 3.407 ( -3.066 0.000 -8.086) 8.648 3.494 ( 7.330 0.000 -9.557) 12.045 3.600 ( 0.787 0.000 -4.044) 4.120 3.614 ( 1.043 0.000 4.660) 4.775 3.645 ( -5.324 0.000 14.662) 15.599 3.681 ( 4.668 0.000 -1.411) 4.876 3.743 ( -2.608 0.000 8.442) 8.836 4.432 ( -2.870 0.000 -7.565) 8.091 4.498 ( 5.195 0.000 0.454) 5.215 4.717 ( -1.568 0.000 6.205) 6.400 4.788 ( 1.629 0.000 -6.104) 6.318 4.793 ( 2.805 0.000 -2.254) 3.599 4.843 ( -0.505 0.000 1.786) 1.856 4.946 ( -2.242 0.000 -14.740) 14.910 5.055 ( 23.062 0.000 3.720) 23.360 5.220 ( 4.896 0.000 21.051) 21.612 5.285 ( 4.884 0.000 3.612) 6.075 5.340 ( -2.108 0.000 -10.351) 10.563 5.375 ( -7.118 0.000 3.047) 7.743 5.424 ( -22.666 0.000 2.331) 22.786 5.576 ( -13.280 0.000 18.552) 22.815 5.804 ( 3.995 0.000 5.553) 6.840 5.931 ( 23.506 0.000 10.225) 25.634 5.998 ( -21.435 0.000 -19.612) 29.053 6.020 ( 4.099 0.000 -10.756) 11.510 6.221 ( 3.304 0.000 7.618) 8.304 6.476 ( -7.359 0.000 -2.203) 7.682 6.731 ( -3.669 0.000 -7.547) 8.392 6.832 ( 3.441 0.000 5.595) 6.568 6.835 ( 0.361 0.000 -12.079) 12.085 6.970 ( -6.521 0.000 -7.450) 9.901 6.975 ( 7.564 0.000 1.049) 7.637 7.111 ( 9.506 0.000 3.103) 9.999 7.303 ( 5.725 0.000 4.643) 7.371 7.349 ( 10.362 0.000 6.115) 12.032 7.350 ( -3.337 0.000 5.371) 6.323 7.404 ( -14.127 0.000 -2.341) 14.320 7.658 ( -4.431 0.000 -0.861) 4.514 7.840 ( 1.971 0.000 8.338) 8.568 7.922 ( 2.147 0.000 -9.486) 9.726 7.930 ( 2.049 0.000 3.688) 4.219 8.047 ( -13.450 0.000 6.857) 15.097 8.051 ( 5.485 0.000 3.195) 6.348 8.158 ( 0.640 0.000 5.136) 5.176 8.230 ( -7.805 0.000 11.694) 14.059 8.384 ( -3.976 0.000 -0.349) 3.991 8.424 ( -3.693 0.000 -5.679) 6.774 8.502 ( 3.044 0.000 -3.427) 4.583 8.552 ( 4.450 0.000 3.742) 5.814 8.651 ( -5.418 0.000 -5.579) 7.777 8.778 ( -3.974 0.000 9.898) 10.666 8.822 ( 9.154 0.000 -6.613) 11.293 8.994 ( 4.043 0.000 -11.976) 12.640 9.113 ( -3.727 0.000 0.472) 3.757 9.162 ( 7.761 0.000 -16.648) 18.368 9.367 ( -3.483 0.000 -1.081) 3.647 9.430 ( 3.136 0.000 -2.619) 4.085 9.443 ( 1.120 0.000 8.879) 8.950 9.489 ( -11.129 0.000 13.692) 17.644 9.812 ( 9.929 0.000 -3.305) 10.464 9.901 ( 1.025 0.000 -14.688) 14.723 10.408 ( -2.148 0.000 -5.977) 6.351 10.448 ( 4.607 0.000 -0.831) 4.681 10.558 ( 2.835 0.000 2.746) 3.947 10.718 ( -2.211 0.000 2.547) 3.373 10.730 ( 4.397 0.000 -3.554) 5.654 10.847 ( 0.084 0.000 7.173) 7.173 10.857 ( -6.187 0.000 3.934) 7.332 11.072 ( 3.836 0.000 -7.978) 8.852 11.395 ( 15.331 0.000 15.534) 21.825 11.452 ( -16.273 0.000 -15.111) 22.207 11.678 ( -1.086 0.000 -2.704) 2.914 11.745 ( -2.058 0.000 2.986) 3.626 11.825 ( -0.957 0.000 3.586) 3.711 11.839 ( 2.964 0.000 -1.398) 3.277 11.875 ( -1.539 0.000 0.329) 1.574 11.972 ( 2.111 0.000 -3.266) 3.889 11.977 ( 1.880 0.000 -3.290) 3.789 12.046 ( 2.273 0.000 -4.295) 4.860 12.170 ( 1.186 0.000 -0.644) 1.350 12.195 ( -1.181 0.000 2.718) 2.964 12.214 ( 0.657 0.000 0.600) 0.889 12.353 ( -2.290 0.000 2.602) 3.467 12.369 ( -0.782 0.000 -3.844) 3.923 12.443 ( 2.866 0.000 -2.363) 3.715 12.467 ( -0.614 0.000 1.093) 1.254 15.869 ( -0.033 0.000 0.575) 0.576 15.886 ( 0.858 0.000 0.896) 1.240 16.004 ( -0.785 0.000 0.063) 0.788 16.045 ( -1.126 0.000 2.908) 3.119 16.425 ( 0.909 0.000 4.815) 4.900 16.508 ( -6.866 0.000 5.175) 8.598 16.679 ( 0.904 0.000 7.023) 7.081 16.727 ( -5.761 0.000 2.941) 6.469 16.807 ( -2.630 0.000 -5.585) 6.173 16.892 ( 3.872 0.000 -0.754) 3.945 16.935 ( -3.344 0.000 -0.595) 3.396 16.989 ( 1.794 0.000 3.783) 4.187 17.032 ( -1.502 0.000 2.808) 3.185 17.033 ( -0.379 0.000 -0.395) 0.548 17.101 ( 1.148 0.000 -2.038) 2.339 17.102 ( -2.762 0.000 3.629) 4.560 17.168 ( -0.753 0.000 2.685) 2.789 17.194 ( 0.644 0.000 -2.321) 2.409 17.233 ( 0.360 0.000 -0.621) 0.717 17.247 ( 0.014 0.000 1.629) 1.629 17.362 ( 3.563 0.000 -3.700) 5.137 17.475 ( 1.620 0.000 0.974) 1.890 17.493 ( -1.997 0.000 -0.512) 2.061 17.535 ( 0.849 0.000 -2.382) 2.529 18.103 ( 2.847 0.000 -4.948) 5.709 18.150 ( -4.426 0.000 -1.918) 4.824 18.160 ( 3.776 0.000 2.973) 4.806 18.266 ( 2.843 0.000 -4.522) 5.342 23.361 ( 16.726 0.000 -28.081) 32.685 24.122 ( -1.619 0.000 23.416) 23.472 24.135 ( -19.132 0.000 12.564) 22.889 25.529 ( -10.844 0.000 19.096) 21.961 28.355 ( 2.172 0.000 -2.365) 3.211 28.460 ( 1.754 0.000 -0.364) 1.792 28.479 ( 2.182 0.000 -6.514) 6.870 28.498 ( -0.784 0.000 -1.466) 1.663 28.887 ( -4.158 0.000 8.869) 9.796 28.949 ( 3.288 0.000 -4.486) 5.562 28.968 ( 2.357 0.000 -4.848) 5.391 28.989 ( -2.883 0.000 4.729) 5.538 29.930 ( 0.073 0.000 -0.224) 0.235 29.941 ( 0.084 0.000 -0.114) 0.142 29.976 ( -0.287 0.000 0.186) 0.342 30.001 ( -0.366 0.000 0.836) 0.912 30.031 ( 0.309 0.000 -0.994) 1.041 30.045 ( -0.387 0.000 0.120) 0.405 30.068 ( -0.001 0.000 0.372) 0.372 30.075 ( 0.169 0.000 -0.186) 0.251 31.591 ( 0.589 0.000 -1.698) 1.798 31.632 ( -0.788 0.000 -0.328) 0.854 31.641 ( 0.791 0.000 0.292) 0.843 31.779 ( 3.837 0.000 -5.857) 7.002 31.878 ( 2.308 0.000 -1.439) 2.720 32.094 ( 11.190 0.000 -4.264) 11.975 32.119 ( -1.591 0.000 -11.662) 11.770 32.147 ( -1.666 0.000 0.293) 1.692 32.501 ( 2.362 0.000 -4.133) 4.760 33.200 ( 6.987 0.000 -10.788) 12.853 33.226 ( 5.403 0.000 -11.059) 12.309 33.843 ( -13.597 0.000 22.796) 26.543 35.467 ( 1.915 0.000 -2.839) 3.425 35.737 ( -0.789 0.000 6.854) 6.899 35.793 ( -6.441 0.000 4.825) 8.048 35.921 ( -1.406 0.000 1.107) 1.790 ======================= Grid point 84 (38/50) ======================= q-point: (-0.50 0.00 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 1.411 ( -4.597 0.000 0.206) 4.602 1.411 ( 4.597 0.000 -0.206) 4.602 1.549 ( 1.296 0.000 -5.843) 5.985 1.549 ( -1.296 0.000 5.843) 5.985 1.695 ( -4.891 0.000 -3.687) 6.125 1.695 ( 4.891 0.000 3.687) 6.125 1.831 ( -5.993 0.000 -1.273) 6.127 1.831 ( 5.993 0.000 1.273) 6.127 2.307 ( 1.262 0.000 -11.908) 11.975 2.307 ( -1.262 0.000 11.908) 11.975 2.580 ( -20.267 0.000 6.314) 21.228 2.580 ( 20.267 0.000 -6.314) 21.228 2.657 ( 0.274 0.000 -8.472) 8.477 2.657 ( -0.274 0.000 8.472) 8.477 3.188 ( 0.294 0.000 -11.563) 11.567 3.188 ( -0.294 0.000 11.563) 11.567 3.315 ( -2.511 0.000 -11.588) 11.857 3.315 ( 2.511 0.000 11.588) 11.857 3.427 ( -2.847 0.000 -1.063) 3.039 3.427 ( 2.847 0.000 1.063) 3.039 3.556 ( -2.722 0.000 -11.401) 11.722 3.556 ( 2.722 0.000 11.401) 11.722 3.739 ( -5.816 0.000 -1.339) 5.968 3.739 ( 5.816 0.000 1.339) 5.968 4.029 ( -13.701 0.000 -25.960) 29.353 4.029 ( 13.701 0.000 25.960) 29.353 4.545 ( -2.105 0.000 -5.931) 6.294 4.545 ( 2.105 0.000 5.931) 6.294 4.763 ( 6.280 0.000 -3.942) 7.414 4.763 ( -6.280 0.000 3.942) 7.414 4.881 ( -1.016 0.000 -4.037) 4.163 4.881 ( 1.016 0.000 4.037) 4.163 5.294 ( 2.957 0.000 -1.018) 3.128 5.294 ( -2.957 0.000 1.018) 3.128 5.378 ( -10.613 0.000 -7.916) 13.240 5.378 ( 10.613 0.000 7.916) 13.240 5.427 ( 0.092 0.000 -3.547) 3.548 5.427 ( -0.092 0.000 3.547) 3.548 5.526 ( 13.271 0.000 -4.688) 14.075 5.526 ( -13.271 0.000 4.688) 14.075 6.099 ( -18.048 0.000 -10.700) 20.982 6.099 ( 18.048 0.000 10.700) 20.982 6.192 ( -15.334 0.000 3.303) 15.686 6.192 ( 15.334 0.000 -3.303) 15.686 6.472 ( -14.535 0.000 -15.251) 21.068 6.472 ( 14.535 0.000 15.251) 21.068 6.769 ( -8.717 0.000 -1.517) 8.848 6.769 ( 8.717 0.000 1.517) 8.848 7.008 ( -8.871 0.000 -9.678) 13.129 7.008 ( 8.871 0.000 9.678) 13.129 7.222 ( -3.212 0.000 -6.505) 7.255 7.222 ( 3.212 0.000 6.505) 7.255 7.342 ( -15.942 0.000 4.400) 16.539 7.342 ( 15.942 0.000 -4.400) 16.539 7.572 ( 0.178 0.000 -15.714) 15.715 7.572 ( -0.178 0.000 15.714) 15.715 7.818 ( -8.524 0.000 1.082) 8.592 7.818 ( 8.524 0.000 -1.082) 8.592 8.000 ( -11.472 0.000 -5.993) 12.943 8.000 ( 11.472 0.000 5.993) 12.943 8.199 ( -0.521 0.000 -4.504) 4.534 8.199 ( 0.521 0.000 4.504) 4.534 8.263 ( 5.441 0.000 -3.534) 6.487 8.263 ( -5.441 0.000 3.534) 6.487 8.352 ( -6.823 0.000 -7.610) 10.221 8.352 ( 6.823 0.000 7.610) 10.221 8.626 ( 5.055 0.000 -5.561) 7.515 8.626 ( -5.055 0.000 5.561) 7.515 8.847 ( 0.860 0.000 -13.159) 13.187 8.847 ( -0.860 0.000 13.159) 13.187 9.040 ( -11.083 0.000 -4.706) 12.041 9.040 ( 11.083 0.000 4.706) 12.041 9.260 ( -6.819 0.000 0.465) 6.835 9.260 ( 6.819 0.000 -0.465) 6.835 9.395 ( 0.598 0.000 -8.187) 8.209 9.395 ( -0.598 0.000 8.187) 8.209 9.617 ( -0.863 0.000 -12.503) 12.533 9.617 ( 0.863 0.000 12.503) 12.533 10.223 ( -10.453 0.000 -8.055) 13.197 10.223 ( 10.453 0.000 8.055) 13.197 10.598 ( -6.133 0.000 -1.634) 6.347 10.598 ( 6.133 0.000 1.634) 6.347 10.692 ( 0.463 0.000 -2.961) 2.997 10.692 ( -0.463 0.000 2.961) 2.997 10.885 ( -8.161 0.000 -6.003) 10.131 10.885 ( 8.161 0.000 6.003) 10.131 10.989 ( -2.800 0.000 -10.843) 11.199 10.989 ( 2.800 0.000 10.843) 11.199 11.645 ( -3.046 0.000 0.767) 3.141 11.645 ( 3.046 0.000 -0.767) 3.141 11.780 ( -0.188 0.000 -6.152) 6.155 11.780 ( 0.188 0.000 6.152) 6.155 11.911 ( 5.620 0.000 -2.341) 6.088 11.911 ( -5.620 0.000 2.341) 6.088 12.019 ( -3.406 0.000 -1.740) 3.825 12.019 ( 3.406 0.000 1.740) 3.825 12.134 ( -2.460 0.000 -14.020) 14.234 12.134 ( 2.460 0.000 14.020) 14.234 12.190 ( 0.572 0.000 -0.560) 0.800 12.190 ( -0.572 0.000 0.560) 0.800 12.342 ( 1.031 0.000 -1.261) 1.629 12.342 ( -1.031 0.000 1.261) 1.629 12.454 ( 0.791 0.000 -1.307) 1.528 12.454 ( -0.791 0.000 1.307) 1.528 15.885 ( -0.940 0.000 -0.508) 1.068 15.885 ( 0.940 0.000 0.508) 1.068 16.046 ( 2.468 0.000 -0.940) 2.641 16.046 ( -2.468 0.000 0.940) 2.641 16.432 ( -7.367 0.000 -1.808) 7.586 16.432 ( 7.367 0.000 1.808) 7.586 16.672 ( -3.846 0.000 -10.020) 10.732 16.672 ( 3.846 0.000 10.020) 10.732 16.874 ( -2.602 0.000 -1.291) 2.905 16.874 ( 2.602 0.000 1.291) 2.905 17.012 ( 6.451 0.000 -2.188) 6.811 17.012 ( -6.451 0.000 2.188) 6.811 17.033 ( -0.985 0.000 -1.532) 1.821 17.033 ( 0.985 0.000 1.532) 1.821 17.074 ( -1.032 0.000 -1.242) 1.615 17.074 ( 1.032 0.000 1.242) 1.615 17.197 ( -0.221 0.000 -0.219) 0.310 17.197 ( 0.221 0.000 0.219) 0.310 17.230 ( 1.949 0.000 -1.587) 2.514 17.230 ( -1.949 0.000 1.587) 2.514 17.419 ( -5.346 0.000 1.091) 5.456 17.419 ( 5.346 0.000 -1.091) 5.456 17.505 ( -0.964 0.000 -1.619) 1.884 17.505 ( 0.964 0.000 1.619) 1.884 18.081 ( 1.333 0.000 -2.330) 2.685 18.081 ( -1.333 0.000 2.330) 2.685 18.266 ( -0.517 0.000 -3.586) 3.623 18.266 ( 0.517 0.000 3.586) 3.623 23.563 ( 29.212 0.000 -14.410) 32.573 23.563 ( -29.212 0.000 14.410) 32.573 24.977 ( -32.455 0.000 -24.253) 40.516 24.977 ( 32.455 0.000 24.253) 40.516 28.411 ( -5.304 0.000 -0.095) 5.305 28.411 ( 5.304 0.000 0.095) 5.305 28.453 ( -0.801 0.000 0.044) 0.803 28.453 ( 0.801 0.000 -0.044) 0.803 28.955 ( 2.947 0.000 -7.718) 8.261 28.955 ( -2.947 0.000 7.718) 8.261 28.980 ( 3.394 0.000 -4.199) 5.400 28.980 ( -3.394 0.000 4.199) 5.400 29.934 ( -0.384 0.000 -0.085) 0.393 29.934 ( 0.384 0.000 0.085) 0.393 29.988 ( -0.957 0.000 -0.210) 0.980 29.988 ( 0.957 0.000 0.210) 0.980 30.037 ( 0.694 0.000 -0.254) 0.739 30.037 ( -0.694 0.000 0.254) 0.739 30.073 ( 0.027 0.000 -0.400) 0.401 30.073 ( -0.027 0.000 0.400) 0.401 31.591 ( 1.445 0.000 -0.705) 1.607 31.591 ( -1.445 0.000 0.705) 1.607 31.731 ( -4.209 0.000 -2.164) 4.732 31.731 ( 4.209 0.000 2.164) 4.732 31.952 ( -2.927 0.000 -8.204) 8.710 31.952 ( 2.927 0.000 8.204) 8.710 32.208 ( 4.333 0.000 -5.409) 6.931 32.208 ( -4.333 0.000 5.409) 6.931 32.731 ( -18.610 0.000 -9.227) 20.772 32.731 ( 18.610 0.000 9.227) 20.772 33.628 ( 25.096 0.000 -10.000) 27.015 33.628 ( -25.096 0.000 10.000) 27.015 35.570 ( -9.769 0.000 0.296) 9.773 35.570 ( 9.769 0.000 -0.296) 9.773 35.889 ( -1.153 0.000 -4.299) 4.451 35.889 ( 1.153 0.000 4.299) 4.451 ======================= Grid point 87 (39/50) ======================= q-point: ( 0.00 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( -8.467 5.755 -4.110) 11.032 1.564 ( 8.467 5.755 4.110) 11.032 1.695 ( 3.412 19.480 -6.180) 20.719 1.695 ( -3.412 19.480 6.180) 20.719 1.784 ( -13.561 8.307 -10.347) 18.973 1.784 ( 13.561 8.307 10.347) 18.973 2.292 ( -2.693 18.830 -24.156) 30.746 2.292 ( 2.693 18.830 24.156) 30.746 2.406 ( -0.938 15.754 -18.870) 24.600 2.406 ( 0.938 15.754 18.870) 24.600 2.621 ( -4.999 15.368 -18.317) 24.427 2.621 ( 4.999 15.368 18.317) 24.427 2.935 ( 2.215 -1.351 -15.292) 15.511 2.935 ( -2.215 -1.351 15.292) 15.511 3.065 ( -17.232 -0.705 5.296) 18.042 3.065 ( 17.232 -0.705 -5.296) 18.042 3.409 ( -10.475 12.598 0.894) 16.408 3.409 ( 10.475 12.598 -0.894) 16.408 3.604 ( 6.020 8.336 -8.037) 13.051 3.604 ( -6.020 8.336 8.037) 13.051 3.724 ( -3.937 17.248 -8.539) 19.644 3.724 ( 3.937 17.248 8.539) 19.644 3.890 ( -0.281 17.427 -1.383) 17.484 3.890 ( 0.281 17.427 1.383) 17.484 4.253 ( -24.815 13.429 -2.758) 28.350 4.253 ( 24.815 13.429 2.758) 28.350 4.610 ( -4.648 7.825 -2.921) 9.559 4.610 ( 4.648 7.825 2.921) 9.559 4.836 ( -7.878 0.283 -10.155) 12.856 4.836 ( 7.878 0.283 10.155) 12.856 5.162 ( -7.041 13.195 -6.726) 16.399 5.162 ( 7.041 13.195 6.726) 16.399 5.326 ( 0.058 3.911 -3.493) 5.244 5.326 ( -0.058 3.911 3.493) 5.244 5.576 ( -3.330 24.152 -6.074) 25.126 5.576 ( 3.330 24.152 6.074) 25.126 5.680 ( 3.934 28.758 -7.630) 30.012 5.680 ( -3.934 28.758 7.630) 30.012 5.792 ( 3.485 4.882 -3.413) 6.901 5.792 ( -3.485 4.882 3.413) 6.901 6.167 ( 3.272 18.954 -16.306) 25.216 6.167 ( -3.272 18.954 16.306) 25.216 6.322 ( 0.547 0.786 -15.144) 15.174 6.322 ( -0.547 0.786 15.144) 15.174 6.537 ( -5.510 4.286 -5.182) 8.694 6.537 ( 5.510 4.286 5.182) 8.694 6.841 ( -14.170 3.981 -3.771) 15.194 6.841 ( 14.170 3.981 3.771) 15.194 6.940 ( -8.817 -3.217 -9.409) 13.289 6.940 ( 8.817 -3.217 9.409) 13.289 7.088 ( -0.407 3.265 -7.682) 8.357 7.088 ( 0.407 3.265 7.682) 8.357 7.301 ( -7.099 -2.679 -6.801) 10.189 7.301 ( 7.099 -2.679 6.801) 10.189 7.611 ( -1.403 -12.207 -5.033) 13.278 7.611 ( 1.403 -12.207 5.033) 13.278 7.655 ( -3.094 -3.647 -4.355) 6.468 7.655 ( 3.094 -3.647 4.355) 6.468 7.984 ( 4.163 -2.372 -4.359) 6.477 7.984 ( -4.163 -2.372 4.359) 6.477 8.095 ( 5.237 -1.630 -11.440) 12.687 8.095 ( -5.237 -1.630 11.440) 12.687 8.225 ( -7.916 0.898 -0.811) 8.008 8.225 ( 7.916 0.898 0.811) 8.008 8.436 ( 5.638 -3.576 -4.340) 7.963 8.436 ( -5.638 -3.576 4.340) 7.963 8.536 ( 0.356 -2.801 -2.553) 3.807 8.536 ( -0.356 -2.801 2.553) 3.807 8.856 ( -3.002 -8.390 -7.346) 11.548 8.856 ( 3.002 -8.390 7.346) 11.548 8.999 ( -7.834 2.388 -4.072) 9.147 8.999 ( 7.834 2.388 4.072) 9.147 9.103 ( 1.487 -8.695 -6.316) 10.849 9.103 ( -1.487 -8.695 6.316) 10.849 9.444 ( -8.024 6.549 -15.928) 18.999 9.444 ( 8.024 6.549 15.928) 18.999 9.753 ( 10.604 6.013 -9.259) 15.308 9.753 ( -10.604 6.013 9.259) 15.308 10.219 ( -4.081 -8.585 -12.820) 15.960 10.219 ( 4.081 -8.585 12.820) 15.960 10.515 ( -3.348 4.299 -3.414) 6.430 10.515 ( 3.348 4.299 3.414) 6.430 10.682 ( -5.212 1.280 -1.672) 5.621 10.682 ( 5.212 1.280 1.672) 5.621 10.872 ( -7.252 -4.945 -3.599) 9.486 10.872 ( 7.252 -4.945 3.599) 9.486 10.981 ( -1.872 -2.877 -1.029) 3.583 10.981 ( 1.872 -2.877 1.029) 3.583 11.528 ( 0.581 -13.784 -6.349) 15.187 11.528 ( -0.581 -13.784 6.349) 15.187 11.755 ( -2.831 -8.954 -2.233) 9.653 11.755 ( 2.831 -8.954 2.233) 9.653 11.824 ( -0.237 -0.653 -5.741) 5.783 11.824 ( 0.237 -0.653 5.741) 5.783 11.915 ( -5.111 -4.486 -2.845) 7.371 11.915 ( 5.111 -4.486 2.845) 7.371 12.008 ( 1.195 -7.444 -1.622) 7.712 12.008 ( -1.195 -7.444 1.622) 7.712 12.162 ( 2.429 -6.626 -5.603) 9.011 12.162 ( -2.429 -6.626 5.603) 9.011 12.326 ( -2.288 -3.742 -1.633) 4.680 12.326 ( 2.288 -3.742 1.633) 4.680 12.453 ( 0.824 2.560 -3.167) 4.155 12.453 ( -0.824 2.560 3.167) 4.155 16.108 ( -3.544 7.016 -2.221) 8.168 16.108 ( 3.544 7.016 2.221) 8.168 16.331 ( -2.603 19.322 -6.165) 20.448 16.331 ( 2.603 19.322 6.165) 20.448 16.589 ( -7.271 9.639 0.045) 12.074 16.589 ( 7.271 9.639 -0.045) 12.074 16.734 ( -7.948 3.337 0.793) 8.656 16.734 ( 7.948 3.337 -0.793) 8.656 16.957 ( -1.917 1.903 -5.798) 6.396 16.957 ( 1.917 1.903 5.798) 6.396 17.037 ( -0.825 7.026 -1.624) 7.259 17.037 ( 0.825 7.026 1.624) 7.259 17.137 ( 3.487 7.093 -2.313) 8.235 17.137 ( -3.487 7.093 2.313) 8.235 17.232 ( -0.602 8.055 -2.292) 8.396 17.232 ( 0.602 8.055 2.292) 8.396 17.267 ( -0.772 11.006 -1.385) 11.119 17.267 ( 0.772 11.006 1.385) 11.119 17.370 ( -2.350 15.208 -0.012) 15.389 17.370 ( 2.350 15.208 0.012) 15.389 17.458 ( 2.177 9.414 -2.919) 10.094 17.458 ( -2.177 9.414 2.919) 10.094 17.633 ( -0.559 18.902 -6.612) 20.033 17.633 ( 0.559 18.902 6.612) 20.033 18.113 ( 1.066 3.420 -2.899) 4.609 18.113 ( -1.066 3.420 2.899) 4.609 18.320 ( 0.674 10.106 -3.556) 10.735 18.320 ( -0.674 10.106 3.556) 10.735 23.370 ( 0.078 -17.135 -28.440) 33.203 23.370 ( -0.078 -17.135 28.440) 33.203 24.473 ( -29.169 -43.134 -7.303) 52.580 24.473 ( 29.169 -43.134 7.303) 52.580 28.389 ( -1.308 0.324 -4.178) 4.390 28.389 ( 1.308 0.324 4.178) 4.390 28.492 ( -0.451 0.830 -1.309) 1.615 28.492 ( 0.451 0.830 1.309) 1.615 28.888 ( -3.708 -4.437 0.748) 5.831 28.888 ( 3.708 -4.437 -0.748) 5.831 28.981 ( 1.738 0.004 -4.917) 5.215 28.981 ( -1.738 0.004 4.917) 5.215 29.627 ( -1.304 -22.940 -5.440) 23.612 29.627 ( 1.304 -22.940 5.440) 23.612 29.870 ( -3.180 -9.983 -3.783) 11.139 29.870 ( 3.180 -9.983 3.783) 11.139 29.998 ( -0.431 -1.999 -0.511) 2.107 29.998 ( 0.431 -1.999 0.511) 2.107 30.037 ( 0.313 1.732 -0.774) 1.923 30.037 ( -0.313 1.732 0.774) 1.923 31.618 ( -0.382 1.615 -2.051) 2.638 31.618 ( 0.382 1.615 2.051) 2.638 31.772 ( -5.484 0.367 -1.538) 5.708 31.772 ( 5.484 0.367 1.538) 5.708 32.022 ( 2.951 2.121 -1.834) 4.071 32.022 ( -2.951 2.121 1.834) 4.071 32.266 ( 0.408 0.708 -8.317) 8.357 32.266 ( -0.408 0.708 8.317) 8.357 33.188 ( -13.749 39.220 -3.756) 41.730 33.188 ( 13.749 39.220 3.756) 41.730 33.819 ( -1.633 16.256 -22.252) 27.606 33.819 ( 1.633 16.256 22.252) 27.606 35.421 ( -2.832 -12.239 -7.024) 14.393 35.421 ( 2.832 -12.239 7.024) 14.393 35.619 ( 2.387 -23.391 -7.212) 24.593 35.619 ( -2.387 -23.391 7.212) 24.593 ======================= Grid point 89 (40/50) ======================= q-point: ( 0.25 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( 7.206 -2.464 -18.746) 20.234 1.622 ( 1.994 20.593 0.943) 20.711 1.777 ( -1.688 4.481 7.543) 8.934 1.792 ( 17.909 5.941 -8.615) 20.742 1.869 ( 7.142 16.278 -13.596) 22.379 1.920 ( 6.233 21.528 -2.629) 22.566 2.047 ( -0.064 18.270 -15.930) 24.240 2.260 ( -5.290 20.291 -5.963) 21.801 2.387 ( 1.106 20.232 -5.719) 21.054 2.411 ( 6.863 27.348 -0.127) 28.197 2.554 ( -6.539 3.035 -6.113) 9.451 2.689 ( 3.415 4.917 0.237) 5.992 2.838 ( -10.747 0.806 13.623) 17.371 2.985 ( -1.018 2.670 12.475) 12.798 3.094 ( 5.413 3.510 9.062) 11.124 3.216 ( -2.767 9.768 1.410) 10.250 3.372 ( -18.841 6.753 -2.617) 20.185 3.411 ( -8.688 11.454 8.663) 16.784 3.482 ( -6.129 12.107 6.026) 14.848 3.522 ( 3.965 7.161 -10.881) 13.616 3.738 ( 0.919 9.975 -0.924) 10.060 3.797 ( 11.874 14.022 9.188) 20.543 3.858 ( 2.481 16.029 -6.984) 17.660 3.948 ( -4.047 20.148 4.086) 20.953 3.962 ( -7.152 19.496 9.771) 22.951 4.498 ( -4.258 0.362 -12.916) 13.604 4.619 ( 9.399 10.118 3.361) 14.213 4.794 ( 3.161 3.050 2.049) 4.847 4.912 ( 18.248 -0.600 -1.119) 18.292 4.960 ( -8.690 7.172 -7.121) 13.329 5.045 ( 0.867 7.433 11.563) 13.773 5.062 ( -2.158 9.803 -0.162) 10.039 5.326 ( 4.398 8.871 2.264) 10.157 5.434 ( -2.567 18.794 2.053) 19.079 5.497 ( -4.735 12.434 -2.607) 13.558 5.619 ( -5.567 8.098 4.953) 11.005 5.632 ( 1.061 24.227 2.766) 24.407 5.713 ( -5.925 26.772 7.164) 28.340 5.816 ( -3.849 27.651 -8.730) 29.250 5.951 ( 5.151 13.362 9.355) 17.105 6.021 ( 12.605 13.999 1.150) 18.873 6.062 ( -11.811 11.618 0.963) 16.595 6.106 ( -3.140 15.576 -9.382) 18.453 6.313 ( 6.709 6.666 -1.538) 9.582 6.505 ( -7.324 4.773 -4.119) 9.663 6.650 ( -1.302 -1.235 5.950) 6.215 6.731 ( 4.286 -5.233 -4.467) 8.106 6.845 ( 3.790 1.060 -10.220) 10.952 6.947 ( 0.654 -0.550 2.463) 2.607 7.002 ( -1.394 -0.864 -6.624) 6.824 7.127 ( 0.740 -3.789 1.682) 4.211 7.242 ( -0.716 -6.790 -3.392) 7.624 7.318 ( 5.369 0.571 0.164) 5.401 7.358 ( 1.527 2.047 5.985) 6.507 7.420 ( -0.655 4.071 3.598) 5.472 7.588 ( 0.409 -4.838 -4.139) 6.380 7.717 ( -1.694 -10.600 7.362) 13.017 7.756 ( -6.379 -10.775 6.234) 13.988 7.879 ( 1.482 -10.015 4.974) 11.280 7.934 ( -5.505 -2.798 2.780) 6.772 8.107 ( -1.227 1.868 1.779) 2.857 8.206 ( 0.362 8.912 -2.617) 9.295 8.284 ( -6.658 4.633 8.195) 11.531 8.329 ( 2.471 -20.992 -0.751) 21.150 8.392 ( -3.611 -0.553 4.336) 5.669 8.455 ( -4.384 0.803 -2.835) 5.282 8.554 ( 5.688 -1.475 3.780) 6.987 8.573 ( 0.338 -8.374 -1.083) 8.450 8.746 ( -1.451 -1.501 3.009) 3.663 8.753 ( 1.352 6.166 -8.407) 10.513 8.837 ( 1.504 -3.386 0.127) 3.707 8.987 ( 2.568 -7.369 -9.244) 12.097 9.042 ( -2.205 -9.190 -7.522) 12.079 9.249 ( 4.506 -2.476 -8.274) 9.741 9.313 ( 7.064 -2.616 3.953) 8.507 9.592 ( -5.974 8.127 -2.916) 10.499 9.677 ( -3.336 5.963 8.725) 11.082 9.910 ( 8.250 1.934 6.001) 10.384 10.027 ( -1.051 3.597 -13.094) 13.619 10.338 ( -3.870 -1.902 0.202) 4.317 10.488 ( -0.820 -0.287 -2.750) 2.884 10.551 ( 5.229 0.091 4.209) 6.713 10.688 ( 0.719 -2.408 4.522) 5.174 10.709 ( -0.729 0.247 -2.809) 2.913 10.838 ( 2.860 -2.376 0.347) 3.734 10.860 ( -4.984 -1.005 4.236) 6.617 11.045 ( 3.450 -4.200 -7.077) 8.924 11.153 ( 2.740 -21.347 -1.579) 21.580 11.450 ( 2.282 1.701 -5.344) 6.054 11.510 ( 3.926 -12.582 -0.923) 13.212 11.661 ( -3.841 -9.702 -0.196) 10.437 11.762 ( 0.352 -4.475 0.954) 4.589 11.790 ( 1.939 -6.057 -4.457) 7.766 11.832 ( -1.257 -4.676 1.681) 5.125 11.897 ( -0.715 -0.952 -0.502) 1.292 11.935 ( -0.520 -2.086 3.210) 3.863 12.001 ( -0.558 -6.034 0.199) 6.063 12.074 ( 4.649 -6.670 -1.016) 8.194 12.109 ( -1.121 -6.438 -4.083) 7.706 12.151 ( -1.797 -8.294 0.846) 8.528 12.304 ( 0.350 -6.791 -0.779) 6.844 12.361 ( 0.101 -0.073 -1.318) 1.323 12.437 ( 1.279 -0.155 -1.910) 2.304 12.466 ( -0.260 2.873 1.434) 3.221 16.091 ( -1.235 14.934 4.841) 15.748 16.176 ( -7.018 14.422 1.372) 16.097 16.312 ( 3.811 11.235 7.333) 13.947 16.418 ( -2.667 4.108 2.504) 5.501 16.487 ( -4.761 4.733 7.581) 10.126 16.556 ( -3.755 11.000 6.802) 13.467 16.746 ( 4.242 13.020 3.557) 14.148 16.829 ( -3.237 3.825 -6.507) 8.213 16.892 ( -3.402 3.784 -0.831) 5.156 16.934 ( 5.424 10.280 -3.269) 12.074 17.020 ( -3.316 6.302 -1.272) 7.235 17.056 ( -1.010 3.360 1.311) 3.745 17.127 ( 2.856 9.250 1.393) 9.780 17.149 ( 0.007 13.631 -0.100) 13.632 17.156 ( -2.254 4.222 -0.732) 4.842 17.213 ( -0.638 8.783 0.795) 8.842 17.265 ( -0.821 8.485 0.053) 8.524 17.271 ( 0.486 6.525 -3.381) 7.365 17.346 ( 1.202 9.965 2.768) 10.411 17.386 ( 3.089 4.649 -4.015) 6.875 17.465 ( -6.126 20.281 7.391) 22.438 17.546 ( 3.061 8.385 1.003) 8.982 17.583 ( 1.350 4.623 -2.173) 5.284 17.697 ( -7.577 31.387 10.598) 33.984 18.184 ( -1.910 8.460 2.129) 8.930 18.201 ( 2.956 10.656 2.238) 11.283 18.219 ( -1.748 12.032 -2.632) 12.440 18.261 ( 2.459 0.702 -4.060) 4.799 23.214 ( 14.425 -13.723 -24.405) 31.496 23.821 ( -12.139 -27.033 15.024) 33.225 23.839 ( -6.928 -26.553 18.067) 32.856 24.858 ( -2.311 -55.973 4.642) 56.212 28.368 ( 2.649 1.241 -2.882) 4.107 28.456 ( 1.960 -0.328 -1.792) 2.676 28.474 ( 0.790 0.203 -3.152) 3.256 28.509 ( -0.236 0.743 -2.662) 2.774 28.788 ( -0.582 -6.774 3.041) 7.448 28.939 ( 3.175 -0.831 -3.704) 4.949 28.955 ( 1.775 -1.068 -4.207) 4.689 28.990 ( -2.784 0.239 4.540) 5.331 29.585 ( 4.098 -20.499 -7.417) 22.182 29.738 ( 0.533 -19.837 -1.528) 19.903 29.755 ( 0.816 -19.130 -0.617) 19.158 29.947 ( 1.797 -0.423 -0.075) 1.848 29.965 ( -2.425 -8.441 1.226) 8.868 30.005 ( 0.212 0.493 -0.488) 0.725 30.035 ( 0.201 0.553 -0.424) 0.725 30.038 ( -0.365 1.990 0.491) 2.082 31.603 ( 0.806 1.038 -1.548) 2.031 31.666 ( -2.839 2.090 -0.201) 3.531 31.676 ( 1.735 2.143 2.556) 3.760 31.865 ( 1.613 -0.901 -1.515) 2.389 31.960 ( -2.160 -0.734 3.090) 3.841 32.137 ( 8.957 2.569 -3.410) 9.922 32.152 ( -1.379 0.856 -9.453) 9.591 32.307 ( -3.851 1.681 6.216) 7.503 33.000 ( 0.097 49.617 -0.855) 49.625 33.498 ( 4.433 25.602 -11.009) 28.219 33.521 ( 6.947 25.419 -9.122) 27.885 33.983 ( -11.184 12.363 18.801) 25.128 35.346 ( 1.423 -10.793 -2.366) 11.140 35.538 ( -1.417 -18.041 5.456) 18.901 35.573 ( 0.693 -24.332 -4.336) 24.725 35.600 ( -3.479 -18.038 4.980) 19.034 ======================= Grid point 90 (41/50) ======================= q-point: (-0.50 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( -9.346 4.569 -11.847) 15.766 1.488 ( 9.346 4.569 11.847) 15.766 1.836 ( 0.411 14.635 -11.819) 18.816 1.836 ( -0.411 14.635 11.819) 18.816 1.865 ( -6.636 18.275 -5.310) 20.155 1.865 ( 6.636 18.275 5.310) 20.155 2.182 ( 7.529 24.411 -8.438) 26.903 2.182 ( -7.529 24.411 8.438) 26.903 2.418 ( 1.055 10.034 -5.526) 11.504 2.418 ( -1.055 10.034 5.526) 11.504 2.621 ( 3.272 2.696 -2.328) 4.837 2.621 ( -3.272 2.696 2.328) 4.837 2.795 ( -25.776 17.993 0.371) 31.437 2.795 ( 25.776 17.993 -0.371) 31.437 3.168 ( 3.814 0.430 -12.987) 13.543 3.168 ( -3.814 0.430 12.987) 13.543 3.308 ( -9.615 1.130 -17.257) 19.787 3.308 ( 9.615 1.130 17.257) 19.787 3.550 ( -2.407 9.911 -4.903) 11.317 3.550 ( 2.407 9.911 4.903) 11.317 3.766 ( -8.912 14.948 -1.157) 17.441 3.766 ( 8.912 14.948 1.157) 17.441 3.969 ( 2.520 20.227 -2.898) 20.588 3.969 ( -2.520 20.227 2.898) 20.588 4.149 ( -11.734 11.951 -18.617) 25.042 4.149 ( 11.734 11.951 18.617) 25.042 4.692 ( -2.203 14.342 -8.978) 17.063 4.692 ( 2.203 14.342 8.978) 17.063 4.928 ( 0.813 -4.464 -15.705) 16.347 4.928 ( -0.813 -4.464 15.705) 16.347 5.251 ( 4.726 8.974 -11.418) 15.272 5.251 ( -4.726 8.974 11.418) 15.272 5.340 ( -4.880 7.993 -4.844) 10.543 5.340 ( 4.880 7.993 4.844) 10.543 5.496 ( -3.576 15.032 -3.905) 15.938 5.496 ( 3.576 15.032 3.905) 15.938 5.660 ( -3.679 27.385 -5.579) 28.189 5.660 ( 3.679 27.385 5.579) 28.189 5.809 ( -3.451 19.386 -7.310) 21.004 5.809 ( 3.451 19.386 7.310) 21.004 6.138 ( -3.320 0.093 -4.122) 5.293 6.138 ( 3.320 0.093 4.122) 5.293 6.272 ( -6.814 13.454 -10.720) 18.503 6.272 ( 6.814 13.454 10.720) 18.503 6.519 ( -9.865 11.751 -5.990) 16.471 6.519 ( 9.865 11.751 5.990) 16.471 6.844 ( -4.232 5.903 -6.725) 9.899 6.844 ( 4.232 5.903 6.725) 9.899 6.907 ( 0.879 -5.501 -7.193) 9.098 6.907 ( -0.879 -5.501 7.193) 9.098 7.141 ( -1.895 -8.292 -2.323) 8.817 7.141 ( 1.895 -8.292 2.323) 8.817 7.407 ( 7.869 0.593 -8.872) 11.874 7.407 ( -7.869 0.593 8.872) 11.874 7.541 ( -6.220 -4.737 -1.916) 8.050 7.541 ( 6.220 -4.737 1.916) 8.050 7.632 ( -4.454 -9.483 -1.923) 10.652 7.632 ( 4.454 -9.483 1.923) 10.652 7.989 ( -4.520 1.013 -5.429) 7.137 7.989 ( 4.520 1.013 5.429) 7.137 8.087 ( 1.584 -9.023 -3.338) 9.750 8.087 ( -1.584 -9.023 3.338) 9.750 8.277 ( -8.874 2.067 -3.204) 9.658 8.277 ( 8.874 2.067 3.204) 9.658 8.407 ( 0.070 3.468 -4.748) 5.880 8.407 ( -0.070 3.468 4.748) 5.880 8.560 ( -3.095 -5.657 -7.425) 9.834 8.560 ( 3.095 -5.657 7.425) 9.834 8.788 ( -1.791 -12.601 -8.978) 15.576 8.788 ( 1.791 -12.601 8.978) 15.576 8.930 ( 5.550 4.371 -7.406) 10.235 8.930 ( -5.550 4.371 7.406) 10.235 9.159 ( -12.841 -3.505 0.510) 13.320 9.159 ( 12.841 -3.505 -0.510) 13.320 9.429 ( -4.744 3.879 0.282) 6.135 9.429 ( 4.744 3.879 -0.282) 6.135 9.802 ( -5.892 7.159 -8.270) 12.425 9.802 ( 5.892 7.159 8.270) 12.425 10.156 ( -6.441 -6.063 -7.739) 11.753 10.156 ( 6.441 -6.063 7.739) 11.753 10.596 ( -7.148 -1.872 -2.879) 7.930 10.596 ( 7.148 -1.872 2.879) 7.930 10.678 ( -3.685 -0.686 -1.833) 4.172 10.678 ( 3.685 -0.686 1.833) 4.172 10.861 ( -1.380 -1.372 -4.663) 5.053 10.861 ( 1.380 -1.372 4.663) 5.053 11.003 ( -2.115 -1.734 -7.964) 8.420 11.003 ( 2.115 -1.734 7.964) 8.420 11.539 ( -1.696 -9.405 -2.962) 10.005 11.539 ( 1.696 -9.405 2.962) 10.005 11.711 ( -3.833 -15.336 -6.268) 17.005 11.711 ( 3.833 -15.336 6.268) 17.005 11.824 ( -0.285 0.004 -3.045) 3.058 11.824 ( 0.285 0.004 3.045) 3.058 11.956 ( -5.078 -8.175 -4.155) 10.482 11.956 ( 5.078 -8.175 4.155) 10.482 12.008 ( -1.992 -0.656 -4.006) 4.522 12.008 ( 1.992 -0.656 4.006) 4.522 12.130 ( 4.794 -7.123 -5.314) 10.098 12.130 ( -4.794 -7.123 5.314) 10.098 12.314 ( -2.171 -4.223 -0.342) 4.760 12.314 ( 2.171 -4.223 0.342) 4.760 12.462 ( 0.537 1.879 -2.170) 2.920 12.462 ( -0.537 1.879 2.170) 2.920 16.095 ( 0.800 11.779 -2.073) 11.987 16.095 ( -0.800 11.779 2.073) 11.987 16.373 ( -2.332 11.379 -2.536) 11.889 16.373 ( 2.332 11.379 2.536) 11.889 16.599 ( -5.271 8.435 -6.346) 11.799 16.599 ( 5.271 8.435 6.346) 11.799 16.733 ( -1.671 7.490 -7.835) 10.967 16.733 ( 1.671 7.490 7.835) 10.967 16.915 ( -4.382 11.578 -4.955) 13.334 16.915 ( 4.382 11.578 4.955) 13.334 17.027 ( 2.699 2.946 -2.209) 4.565 17.027 ( -2.699 2.946 2.209) 4.565 17.122 ( -0.170 8.435 -0.881) 8.483 17.122 ( 0.170 8.435 0.881) 8.483 17.223 ( -2.552 5.612 -0.386) 6.177 17.223 ( 2.552 5.612 0.386) 6.177 17.269 ( -1.716 5.786 -0.272) 6.041 17.269 ( 1.716 5.786 0.272) 6.041 17.350 ( 2.334 12.569 -3.749) 13.322 17.350 ( -2.334 12.569 3.749) 13.322 17.527 ( -4.274 7.447 -3.055) 9.114 17.527 ( 4.274 7.447 3.055) 9.114 17.617 ( 7.214 23.068 -6.682) 25.077 17.617 ( -7.214 23.068 6.682) 25.077 18.116 ( 0.788 4.765 -2.087) 5.261 18.116 ( -0.788 4.765 2.087) 5.261 18.320 ( 1.220 9.513 -1.585) 9.721 18.320 ( -1.220 9.513 1.585) 9.721 23.372 ( 24.544 -17.517 -13.562) 33.063 23.372 ( -24.544 -17.517 13.562) 33.063 24.481 ( -20.413 -42.798 -22.415) 52.448 24.481 ( 20.413 -42.798 22.415) 52.448 28.415 ( -4.276 0.554 0.585) 4.351 28.415 ( 4.276 0.554 -0.585) 4.351 28.458 ( -0.682 0.630 -0.523) 1.066 28.458 ( 0.682 0.630 0.523) 1.066 28.903 ( -1.160 -4.138 -6.409) 7.716 28.903 ( 1.160 -4.138 6.409) 7.716 28.978 ( 3.403 -0.043 -3.918) 5.190 28.978 ( -3.403 -0.043 3.918) 5.190 29.623 ( -3.114 -22.589 0.048) 22.803 29.623 ( 3.114 -22.589 -0.048) 22.803 29.876 ( -4.720 -11.490 -1.759) 12.546 29.876 ( 4.720 -11.490 1.759) 12.546 29.993 ( -0.443 -0.422 -1.453) 1.576 29.993 ( 0.443 -0.422 1.453) 1.576 30.036 ( 0.271 1.098 -0.386) 1.195 30.036 ( -0.271 1.098 0.386) 1.195 31.615 ( 0.673 1.666 -0.633) 1.905 31.615 ( -0.673 1.666 0.633) 1.905 31.784 ( -3.899 0.782 -4.355) 5.897 31.784 ( 3.899 0.782 4.355) 5.897 32.026 ( -1.349 1.001 -7.423) 7.610 32.026 ( 1.349 1.001 7.423) 7.610 32.258 ( 7.041 1.453 -4.404) 8.430 32.258 ( -7.041 1.453 4.404) 8.430 33.179 ( -9.888 39.061 -10.754) 41.704 33.179 ( 9.888 39.061 10.754) 41.704 33.816 ( 19.765 16.429 -8.742) 27.148 33.816 ( -19.765 16.429 8.742) 27.148 35.426 ( -7.365 -12.924 0.455) 14.882 35.426 ( 7.365 -12.924 -0.455) 14.882 35.608 ( 4.688 -22.440 -5.639) 23.607 35.608 ( -4.688 -22.440 5.639) 23.607 ======================= Grid point 93 (42/50) ======================= q-point: ( 0.00 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( 4.549 2.021 -15.405) 16.189 1.590 ( -4.549 2.021 15.405) 16.189 2.005 ( -13.688 14.705 -14.076) 24.530 2.005 ( 13.688 14.705 14.076) 24.530 2.169 ( -11.845 14.429 -0.497) 18.675 2.169 ( 11.845 14.429 0.497) 18.675 2.390 ( -2.464 1.478 -29.782) 29.921 2.390 ( 2.464 1.478 29.782) 29.921 2.701 ( 8.045 2.904 -7.321) 11.258 2.701 ( -8.045 2.904 7.321) 11.258 2.858 ( -6.639 3.502 -16.931) 18.520 2.858 ( 6.639 3.502 16.931) 18.520 3.043 ( -4.604 16.528 -13.156) 21.621 3.043 ( 4.604 16.528 13.156) 21.621 3.252 ( 1.785 12.054 -7.946) 14.547 3.252 ( -1.785 12.054 7.946) 14.547 3.589 ( -10.725 2.701 -0.185) 11.061 3.589 ( 10.725 2.701 0.185) 11.061 3.878 ( 8.023 12.326 -10.521) 18.083 3.878 ( -8.023 12.326 10.521) 18.083 4.046 ( 0.241 9.009 -5.125) 10.368 4.046 ( -0.241 9.009 5.125) 10.368 4.172 ( 6.929 11.740 -10.822) 17.406 4.172 ( -6.929 11.740 10.822) 17.406 4.569 ( -4.219 16.224 -0.022) 16.764 4.569 ( 4.219 16.224 0.022) 16.764 4.796 ( -11.846 15.536 -4.324) 20.010 4.796 ( 11.846 15.536 4.324) 20.010 5.123 ( -4.573 14.854 -3.857) 16.013 5.123 ( 4.573 14.854 3.857) 16.013 5.246 ( 4.814 -5.687 -12.105) 14.215 5.246 ( -4.814 -5.687 12.105) 14.215 5.400 ( -1.255 12.570 -10.205) 16.240 5.400 ( 1.255 12.570 10.205) 16.240 5.687 ( 1.634 -2.398 -9.234) 9.679 5.687 ( -1.634 -2.398 9.234) 9.679 6.000 ( -4.259 16.387 -10.063) 19.696 6.000 ( 4.259 16.387 10.063) 19.696 6.100 ( 1.634 7.722 -6.227) 10.054 6.100 ( -1.634 7.722 6.227) 10.054 6.332 ( 1.219 5.874 -11.738) 13.182 6.332 ( -1.219 5.874 11.738) 13.182 6.619 ( 2.436 9.738 -14.856) 17.930 6.619 ( -2.436 9.738 14.856) 17.930 6.763 ( -1.711 0.999 -2.004) 2.818 6.763 ( 1.711 0.999 2.004) 2.818 6.847 ( -4.946 4.039 -1.935) 6.672 6.847 ( 4.946 4.039 1.935) 6.672 6.965 ( -7.604 4.042 -5.304) 10.114 6.965 ( 7.604 4.042 5.304) 10.114 7.156 ( -2.070 3.757 -5.087) 6.654 7.156 ( 2.070 3.757 5.087) 6.654 7.253 ( -0.361 2.960 -8.078) 8.611 7.253 ( 0.361 2.960 8.078) 8.611 7.488 ( 2.297 4.888 -2.195) 5.830 7.488 ( -2.297 4.888 2.195) 5.830 7.677 ( 3.012 1.560 -13.091) 13.523 7.677 ( -3.012 1.560 13.091) 13.523 7.852 ( -8.529 -2.260 -2.114) 9.073 7.852 ( 8.529 -2.260 2.114) 9.073 8.105 ( -8.823 0.778 -10.967) 14.097 8.105 ( 8.823 0.778 10.967) 14.097 8.313 ( -2.292 0.197 -2.665) 3.521 8.313 ( 2.292 0.197 2.665) 3.521 8.375 ( -1.944 4.587 -2.469) 5.560 8.375 ( 1.944 4.587 2.469) 5.560 8.595 ( -7.570 3.841 -4.015) 9.390 8.595 ( 7.570 3.841 4.015) 9.390 8.706 ( -7.682 -3.221 -5.552) 10.011 8.706 ( 7.682 -3.221 5.552) 10.011 8.951 ( -3.957 -5.742 -2.882) 7.545 8.951 ( 3.957 -5.742 2.882) 7.545 9.141 ( -8.605 8.514 -1.418) 12.188 9.141 ( 8.605 8.514 1.418) 12.188 9.557 ( -11.187 2.534 -13.575) 17.772 9.557 ( 11.187 2.534 13.575) 17.772 9.722 ( -2.225 -7.582 -1.341) 8.015 9.722 ( 2.225 -7.582 1.341) 8.015 10.090 ( -3.013 -5.588 -16.155) 17.357 10.090 ( 3.013 -5.588 16.155) 17.357 10.456 ( -3.594 -11.864 -0.592) 12.411 10.456 ( 3.594 -11.864 0.592) 12.411 10.639 ( -2.226 -7.669 -0.176) 7.987 10.639 ( 2.226 -7.669 0.176) 7.987 10.742 ( -2.556 -3.960 -2.470) 5.321 10.742 ( 2.556 -3.960 2.470) 5.321 10.858 ( -4.874 -4.142 0.477) 6.414 10.858 ( 4.874 -4.142 -0.477) 6.414 11.363 ( -4.847 -2.754 -0.856) 5.640 11.363 ( 4.847 -2.754 0.856) 5.640 11.516 ( -3.364 -10.428 -3.688) 11.561 11.516 ( 3.364 -10.428 3.688) 11.561 11.722 ( -2.257 -7.414 -2.702) 8.208 11.722 ( 2.257 -7.414 2.702) 8.208 11.826 ( -0.959 -1.165 -5.961) 6.149 11.826 ( 0.959 -1.165 5.961) 6.149 11.929 ( -1.489 -5.645 -1.131) 5.946 11.929 ( 1.489 -5.645 1.131) 5.946 12.047 ( -2.687 -0.971 0.009) 2.858 12.047 ( 2.687 -0.971 -0.009) 2.858 12.311 ( -4.061 0.646 -4.812) 6.329 12.311 ( 4.061 0.646 4.812) 6.329 12.449 ( 2.985 -2.938 -4.930) 6.469 12.449 ( -2.985 -2.938 4.930) 6.469 16.200 ( 2.133 4.652 -1.046) 5.223 16.200 ( -2.133 4.652 1.046) 5.223 16.473 ( -2.968 1.230 -1.500) 3.546 16.473 ( 2.968 1.230 1.500) 3.546 16.735 ( -8.910 4.614 -1.096) 10.093 16.735 ( 8.910 4.614 1.096) 10.093 16.846 ( -4.087 3.347 0.021) 5.282 16.846 ( 4.087 3.347 -0.021) 5.282 17.006 ( 1.218 2.200 -6.746) 7.199 17.006 ( -1.218 2.200 6.746) 7.199 17.123 ( -0.583 3.239 -1.218) 3.509 17.123 ( 0.583 3.239 1.218) 3.509 17.303 ( 0.538 4.356 -2.210) 4.914 17.303 ( -0.538 4.356 2.210) 4.914 17.378 ( 2.433 4.072 -2.479) 5.352 17.378 ( -2.433 4.072 2.479) 5.352 17.482 ( -0.714 6.389 -4.596) 7.903 17.482 ( 0.714 6.389 4.596) 7.903 17.553 ( 7.661 4.051 -2.885) 9.134 17.553 ( -7.661 4.051 2.885) 9.134 17.741 ( -1.515 19.071 -2.299) 19.268 17.741 ( 1.515 19.071 2.299) 19.268 18.041 ( -3.227 6.418 -1.018) 7.255 18.041 ( 3.227 6.418 1.018) 7.255 18.330 ( -10.628 29.311 -2.690) 31.294 18.330 ( 10.628 29.311 2.690) 31.294 19.135 ( 3.085 58.458 -39.469) 70.602 19.135 ( -3.085 58.458 39.469) 70.602 22.902 ( 1.806 -26.801 -16.872) 31.721 22.902 ( -1.806 -26.801 16.872) 31.721 23.445 ( -14.230 -51.451 1.201) 53.396 23.445 ( 14.230 -51.451 -1.201) 53.396 28.404 ( -0.191 1.148 -4.564) 4.710 28.404 ( 0.191 1.148 4.564) 4.710 28.520 ( -0.712 1.631 -2.311) 2.917 28.520 ( 0.712 1.631 2.311) 2.917 28.804 ( -5.937 -2.575 -3.845) 7.528 28.804 ( 5.937 -2.575 3.845) 7.528 28.994 ( 0.804 1.390 -4.640) 4.910 28.994 ( -0.804 1.390 4.640) 4.910 29.303 ( -0.286 -8.942 -1.609) 9.090 29.303 ( 0.286 -8.942 1.609) 9.090 29.601 ( -5.315 -13.559 -10.150) 17.751 29.601 ( 5.315 -13.559 10.150) 17.751 29.945 ( -0.575 -4.685 -4.737) 6.687 29.945 ( 0.575 -4.685 4.737) 6.687 30.049 ( 0.273 -1.921 -1.447) 2.420 30.049 ( -0.273 -1.921 1.447) 2.420 31.645 ( -1.463 0.900 -1.489) 2.273 31.645 ( 1.463 0.900 1.489) 2.273 31.765 ( -3.673 -0.652 -1.012) 3.865 31.765 ( 3.673 -0.652 1.012) 3.865 31.991 ( -6.588 -3.722 0.590) 7.590 31.991 ( 6.588 -3.722 -0.590) 7.590 32.223 ( -0.857 -4.218 -5.808) 7.229 32.223 ( 0.857 -4.218 5.808) 7.229 33.983 ( 4.458 32.745 -3.371) 33.219 33.983 ( -4.458 32.745 3.371) 33.219 34.210 ( 0.448 19.333 -12.315) 22.926 34.210 ( -0.448 19.333 12.315) 22.926 35.128 ( -0.447 -14.623 -1.306) 14.688 35.128 ( 0.447 -14.623 1.306) 14.688 35.148 ( 0.447 -18.167 -6.034) 19.148 35.148 ( -0.447 -18.167 6.034) 19.148 ======================= Grid point 95 (43/50) ======================= q-point: ( 0.25 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( 3.339 16.683 -14.611) 22.427 1.772 ( 9.532 -0.269 1.744) 9.694 1.921 ( 10.246 3.246 6.901) 12.773 2.001 ( -10.303 5.855 -1.743) 11.978 2.045 ( 1.658 9.996 -0.163) 10.133 2.321 ( 0.410 12.752 -9.330) 15.806 2.391 ( -0.646 0.641 -9.470) 9.513 2.458 ( 4.333 7.622 5.314) 10.252 2.642 ( -1.121 9.674 -5.845) 11.358 2.756 ( 3.953 26.933 -6.252) 27.930 2.800 ( -2.035 0.619 1.110) 2.399 2.845 ( 3.315 5.937 0.550) 6.822 2.943 ( -4.843 8.456 3.008) 10.198 3.223 ( -8.205 8.887 9.613) 15.451 3.266 ( -0.369 10.347 14.640) 17.931 3.385 ( 1.068 3.443 11.472) 12.025 3.531 ( 0.263 10.948 0.804) 10.981 3.631 ( -9.963 11.599 -1.782) 15.394 3.755 ( -13.995 7.007 10.565) 18.883 3.849 ( -6.670 9.505 -1.506) 11.710 3.937 ( -0.784 14.413 -14.810) 20.681 4.017 ( 3.807 3.778 9.026) 10.499 4.114 ( 13.707 12.144 -5.846) 19.223 4.326 ( -2.359 13.712 10.317) 17.321 4.452 ( -2.139 22.156 -0.832) 22.275 4.611 ( 0.797 15.392 -3.611) 15.830 4.766 ( 10.416 3.252 -1.780) 11.056 4.894 ( -1.542 8.041 -8.237) 11.614 5.075 ( -3.801 10.694 8.379) 14.108 5.150 ( -3.438 11.273 1.156) 11.842 5.258 ( -3.793 13.915 4.229) 15.030 5.373 ( 2.612 -5.164 2.697) 6.385 5.400 ( 9.881 18.974 -13.588) 25.344 5.482 ( 11.740 3.546 0.227) 12.266 5.602 ( 2.883 -3.733 -10.388) 11.408 5.680 ( -2.505 4.243 -1.191) 5.069 5.930 ( -6.072 8.859 -7.153) 12.904 5.994 ( 6.180 9.141 -0.930) 11.073 6.180 ( 2.418 4.202 -6.030) 7.737 6.258 ( 7.225 8.293 8.507) 13.905 6.320 ( 0.081 11.440 -1.389) 11.525 6.383 ( -12.834 13.725 0.591) 18.800 6.423 ( -3.975 11.038 -4.066) 12.417 6.534 ( -1.141 13.755 2.176) 13.973 6.605 ( 5.176 3.981 3.196) 7.270 6.691 ( 0.841 0.973 -0.016) 1.286 6.789 ( -6.338 -5.660 1.812) 8.688 6.895 ( -6.497 -5.714 4.210) 9.622 7.060 ( 0.798 16.398 -1.398) 16.477 7.069 ( 3.710 17.039 -4.852) 18.100 7.096 ( 0.849 7.761 -2.049) 8.071 7.215 ( -0.510 -11.963 1.564) 12.076 7.291 ( -3.148 6.303 0.826) 7.094 7.378 ( 17.021 -1.885 7.016) 18.507 7.478 ( -7.258 7.848 0.910) 10.729 7.535 ( -1.106 0.665 -4.994) 5.159 7.582 ( -0.276 2.830 -6.428) 7.028 7.635 ( -0.977 -9.583 6.902) 11.850 7.730 ( 0.557 4.600 3.113) 5.582 7.915 ( -1.945 1.749 2.166) 3.396 8.136 ( -9.805 -0.703 0.891) 9.870 8.177 ( 5.829 3.729 4.371) 8.185 8.297 ( -6.860 2.208 2.908) 7.771 8.350 ( 5.091 -3.094 4.133) 7.251 8.406 ( -1.052 -1.369 -8.488) 8.662 8.443 ( -0.122 -1.085 -6.206) 6.301 8.509 ( 2.134 3.572 1.283) 4.354 8.557 ( -1.199 5.035 10.771) 11.950 8.740 ( -1.445 -2.457 -4.175) 5.055 8.780 ( -7.250 1.525 -5.012) 8.945 8.863 ( 8.309 1.169 -0.144) 8.392 8.895 ( -1.526 -2.834 0.173) 3.224 9.014 ( 2.898 9.178 1.161) 9.695 9.270 ( 4.217 2.947 -8.757) 10.156 9.332 ( 5.642 3.625 -1.923) 6.976 9.626 ( -6.112 -6.131 4.347) 9.687 9.717 ( 0.463 0.224 -6.220) 6.242 9.836 ( 2.775 -7.310 7.290) 10.690 9.964 ( 2.275 -7.774 -8.294) 11.593 10.302 ( -8.903 -9.532 1.672) 13.150 10.422 ( -0.856 -3.220 6.592) 7.387 10.508 ( -2.472 -8.303 5.952) 10.511 10.564 ( 6.103 -10.229 -3.788) 12.499 10.616 ( -1.564 -14.562 1.339) 14.707 10.708 ( -0.684 -2.563 0.708) 2.745 10.778 ( -1.308 -8.565 1.556) 8.803 10.857 ( 5.689 0.618 -3.035) 6.477 10.936 ( 4.738 -4.967 -3.172) 7.562 11.289 ( -0.433 -5.883 -0.556) 5.925 11.379 ( -0.676 -8.704 -2.956) 9.217 11.473 ( -1.451 -6.405 -0.605) 6.595 11.535 ( 0.494 -10.617 -7.383) 12.941 11.723 ( 1.468 -3.526 -3.189) 4.976 11.800 ( 2.467 0.275 5.818) 6.325 11.833 ( -4.272 -1.310 0.318) 4.480 11.880 ( 5.476 -8.048 1.318) 9.823 11.897 ( -2.941 -3.197 1.377) 4.557 11.947 ( -2.209 -3.023 0.011) 3.744 11.979 ( 2.355 -2.480 1.957) 3.940 12.073 ( -0.200 -0.039 -0.218) 0.299 12.208 ( 0.976 -1.375 -3.517) 3.900 12.373 ( 0.402 -0.765 -3.389) 3.497 12.413 ( -2.611 -2.585 3.210) 4.879 12.470 ( 1.182 -2.480 -0.714) 2.838 16.285 ( 3.046 5.605 10.131) 11.972 16.312 ( -9.165 3.957 2.264) 10.237 16.364 ( 1.746 1.608 10.347) 10.615 16.435 ( -8.129 0.038 -0.824) 8.171 16.573 ( -1.031 6.098 1.303) 6.320 16.782 ( -3.329 4.967 2.839) 6.619 16.857 ( 2.886 0.703 -2.163) 3.675 16.890 ( 0.289 2.516 -1.973) 3.210 17.037 ( -0.667 2.651 1.533) 3.134 17.065 ( 3.818 5.202 -0.183) 6.455 17.082 ( -0.237 2.433 -1.610) 2.928 17.142 ( 0.781 3.247 -0.882) 3.454 17.261 ( -2.799 2.390 6.319) 7.313 17.297 ( -2.877 5.308 3.793) 7.131 17.333 ( -4.577 2.535 0.498) 5.256 17.382 ( 0.202 4.661 2.859) 5.472 17.461 ( 2.746 4.229 -4.087) 6.491 17.486 ( -0.957 8.500 -0.180) 8.555 17.496 ( 3.437 7.719 -1.190) 8.533 17.627 ( 3.468 4.433 -6.732) 8.775 17.814 ( 1.125 26.172 0.079) 26.196 17.857 ( 6.173 18.646 3.547) 19.959 17.860 ( -8.214 10.488 -4.667) 14.116 17.985 ( 1.454 2.889 -4.204) 5.304 18.268 ( 1.266 9.989 -1.395) 10.165 18.680 ( 6.274 45.197 -13.638) 47.625 18.711 ( 9.197 47.171 -13.026) 49.793 19.345 ( -25.010 62.576 42.466) 79.653 22.829 ( 8.575 -22.532 -14.890) 28.336 23.124 ( -11.056 -37.571 8.275) 40.029 23.152 ( -1.805 -37.112 14.273) 39.803 23.602 ( 3.667 -59.724 -5.194) 60.061 28.401 ( 4.021 1.742 -4.309) 6.146 28.454 ( 2.081 0.206 -4.294) 4.776 28.494 ( 1.188 1.656 -0.724) 2.163 28.532 ( -1.390 1.788 -1.806) 2.897 28.706 ( 1.962 -0.575 -1.298) 2.421 28.923 ( 5.003 -0.722 -1.013) 5.155 28.936 ( -1.375 -0.613 -4.369) 4.621 29.008 ( -2.687 1.695 4.143) 5.221 29.324 ( 0.343 -7.313 -0.646) 7.349 29.366 ( 5.127 -13.479 -2.278) 14.600 29.393 ( -1.114 -13.740 -5.697) 14.915 29.734 ( -4.101 -12.267 5.686) 14.130 29.894 ( 3.504 -5.611 -4.417) 7.955 29.993 ( -0.353 -3.103 2.960) 4.303 30.028 ( -0.701 -2.455 -0.719) 2.653 30.052 ( -1.007 -1.914 0.971) 2.371 31.620 ( 0.007 0.453 -0.130) 0.471 31.693 ( -2.986 0.778 -0.423) 3.114 31.704 ( 2.038 0.914 2.734) 3.530 31.849 ( 2.756 -0.532 -0.691) 2.891 31.890 ( -3.527 -4.809 2.455) 6.449 32.111 ( 1.146 -4.287 -5.770) 7.279 32.120 ( 4.309 -3.788 -3.821) 6.893 32.265 ( -1.756 -4.100 3.076) 5.418 33.934 ( -3.160 36.094 4.828) 36.552 34.071 ( 2.674 26.205 -7.131) 27.290 34.092 ( 4.593 26.101 -5.941) 27.160 34.289 ( -6.622 15.581 11.077) 20.232 35.050 ( 1.559 -16.811 -5.616) 17.793 35.108 ( 2.551 -13.738 -1.424) 14.045 35.167 ( -3.528 -16.956 3.521) 17.673 35.214 ( -1.949 -17.348 5.674) 18.356 ======================= Grid point 96 (44/50) ======================= q-point: (-0.50 0.22 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( -15.824 4.869 -1.402) 16.615 1.581 ( 15.824 4.869 1.402) 16.615 2.107 ( -6.360 7.390 -8.200) 12.740 2.107 ( 6.360 7.390 8.200) 12.740 2.209 ( 16.344 18.868 -10.938) 27.254 2.209 ( -16.344 18.868 10.938) 27.254 2.384 ( -0.160 -0.225 -7.918) 7.923 2.384 ( 0.160 -0.225 7.918) 7.923 2.625 ( -20.704 -1.316 3.603) 21.057 2.625 ( 20.704 -1.316 -3.603) 21.057 2.790 ( 6.492 16.338 -8.548) 19.549 2.790 ( -6.492 16.338 8.548) 19.549 3.124 ( -3.052 7.942 -7.196) 11.144 3.124 ( 3.052 7.942 7.196) 11.144 3.278 ( -14.131 6.995 -5.986) 16.865 3.278 ( 14.131 6.995 5.986) 16.865 3.532 ( -2.934 21.787 -12.141) 25.113 3.532 ( 2.934 21.787 12.141) 25.113 3.748 ( -1.086 5.479 -13.787) 14.876 3.748 ( 1.086 5.479 13.787) 14.876 4.058 ( -10.220 9.552 -11.478) 18.095 4.058 ( 10.220 9.552 11.478) 18.095 4.284 ( 6.167 7.502 -22.870) 24.847 4.284 ( -6.167 7.502 22.870) 24.847 4.526 ( -3.384 23.266 -2.959) 23.696 4.526 ( 3.384 23.266 2.959) 23.696 4.859 ( -3.592 4.977 -8.399) 10.403 4.859 ( 3.592 4.977 8.399) 10.403 5.095 ( 4.480 3.372 -12.284) 13.503 5.095 ( -4.480 3.372 12.284) 13.503 5.264 ( 0.877 12.199 -14.905) 19.280 5.264 ( -0.877 12.199 14.905) 19.280 5.488 ( -7.908 8.838 -4.154) 12.566 5.488 ( 7.908 8.838 4.154) 12.566 5.671 ( -1.799 -3.004 -6.946) 7.778 5.671 ( 1.799 -3.004 6.946) 7.778 5.968 ( -9.758 12.555 -1.088) 15.938 5.968 ( 9.758 12.555 1.088) 15.938 6.102 ( -1.659 8.480 -3.577) 9.352 6.102 ( 1.659 8.480 3.577) 9.352 6.352 ( -0.316 14.447 -1.710) 14.551 6.352 ( 0.316 14.447 1.710) 14.551 6.500 ( -6.108 6.058 -3.255) 9.198 6.500 ( 6.108 6.058 3.255) 9.198 6.691 ( 1.120 -9.210 -1.840) 9.459 6.691 ( -1.120 -9.210 1.840) 9.459 6.916 ( -4.137 8.945 -6.985) 12.079 6.916 ( 4.137 8.945 6.985) 12.079 7.030 ( -11.520 4.781 -3.085) 12.848 7.030 ( 11.520 4.781 3.085) 12.848 7.132 ( 1.979 13.187 -4.072) 13.943 7.132 ( -1.979 13.187 4.072) 13.943 7.268 ( -0.560 -3.627 -1.154) 3.847 7.268 ( 0.560 -3.627 1.154) 3.847 7.488 ( -1.595 3.591 -5.160) 6.485 7.488 ( 1.595 3.591 5.160) 6.485 7.687 ( -4.533 8.499 -2.503) 9.953 7.687 ( 4.533 8.499 2.503) 9.953 7.873 ( -4.777 -8.075 -15.242) 17.898 7.873 ( 4.777 -8.075 15.242) 17.898 8.092 ( -7.979 4.023 -0.252) 8.940 8.092 ( 7.979 4.023 0.252) 8.940 8.248 ( -3.085 -3.141 -5.669) 7.178 8.248 ( 3.085 -3.141 5.669) 7.178 8.437 ( -3.095 -0.332 -5.628) 6.431 8.437 ( 3.095 -0.332 5.628) 6.431 8.576 ( -3.480 7.437 -5.113) 9.673 8.576 ( 3.480 7.437 5.113) 9.673 8.656 ( -3.158 -2.520 -8.455) 9.371 8.656 ( 3.158 -2.520 8.455) 9.371 8.971 ( 0.020 -1.496 -4.811) 5.038 8.971 ( -0.020 -1.496 4.811) 5.038 9.190 ( -2.479 6.731 -8.423) 11.064 9.190 ( 2.479 6.731 8.423) 11.064 9.503 ( -1.767 2.192 -3.092) 4.182 9.503 ( 1.767 2.192 3.092) 4.182 9.783 ( -9.930 -9.320 -3.123) 13.972 9.783 ( 9.930 -9.320 3.123) 13.972 10.029 ( 0.001 -5.603 -7.955) 9.730 10.029 ( -0.001 -5.603 7.955) 9.730 10.466 ( -1.510 -9.697 -2.286) 10.076 10.466 ( 1.510 -9.697 2.286) 10.076 10.644 ( -3.625 -1.798 -2.544) 4.779 10.644 ( 3.625 -1.798 2.544) 4.779 10.749 ( -0.542 -14.124 -4.487) 14.829 10.749 ( 0.542 -14.124 4.487) 14.829 10.935 ( -0.636 -0.104 -3.787) 3.842 10.935 ( 0.636 -0.104 3.787) 3.842 11.366 ( -5.662 -8.357 -0.898) 10.134 11.366 ( 5.662 -8.357 0.898) 10.134 11.408 ( -3.503 -6.863 -3.708) 8.552 11.408 ( 3.503 -6.863 3.708) 8.552 11.755 ( -4.347 -6.677 -0.449) 7.981 11.755 ( 4.347 -6.677 0.449) 7.981 11.826 ( -0.101 -3.142 -3.460) 4.674 11.826 ( 0.101 -3.142 3.460) 4.674 11.967 ( 2.071 -4.775 -3.904) 6.506 11.967 ( -2.071 -4.775 3.904) 6.506 12.058 ( 1.271 0.697 -2.954) 3.291 12.058 ( -1.271 0.697 2.954) 3.291 12.275 ( -3.930 0.269 -4.825) 6.228 12.275 ( 3.930 0.269 4.825) 6.228 12.449 ( -0.560 -3.008 -3.222) 4.443 12.449 ( 0.560 -3.008 3.222) 4.443 16.239 ( -1.083 5.437 -3.269) 6.436 16.239 ( 1.083 5.437 3.269) 6.436 16.451 ( -2.146 0.695 -3.405) 4.085 16.451 ( 2.146 0.695 3.405) 4.085 16.692 ( -3.852 4.222 -8.526) 10.264 16.692 ( 3.852 4.222 8.526) 10.264 16.869 ( 0.792 3.323 -3.695) 5.033 16.869 ( -0.792 3.323 3.695) 5.033 17.021 ( 2.025 1.706 -4.204) 4.969 17.021 ( -2.025 1.706 4.204) 4.969 17.139 ( 0.755 3.175 -2.159) 3.913 17.139 ( -0.755 3.175 2.159) 3.913 17.294 ( -2.035 3.321 -0.423) 3.918 17.294 ( 2.035 3.321 0.423) 3.918 17.361 ( -0.978 3.740 -4.187) 5.699 17.361 ( 0.978 3.740 4.187) 5.699 17.481 ( -3.905 6.760 -3.528) 8.567 17.481 ( 3.905 6.760 3.528) 8.567 17.569 ( -0.395 6.056 -7.177) 9.399 17.569 ( 0.395 6.056 7.177) 9.399 17.737 ( -1.850 20.173 -0.132) 20.258 17.737 ( 1.850 20.173 0.132) 20.258 18.012 ( -2.247 7.683 -1.838) 8.213 18.012 ( 2.247 7.683 1.838) 8.213 18.335 ( -6.441 26.966 -8.108) 28.886 18.335 ( 6.441 26.966 8.108) 28.886 19.134 ( 32.184 57.945 -21.315) 69.626 19.134 ( -32.184 57.945 21.315) 69.626 22.896 ( 13.725 -27.047 -10.066) 31.957 22.896 ( -13.725 -27.047 10.066) 31.957 23.460 ( -5.467 -51.186 -14.886) 53.586 23.460 ( 5.467 -51.186 14.886) 53.586 28.435 ( 3.742 1.248 -2.601) 4.725 28.435 ( -3.742 1.248 2.601) 4.725 28.484 ( -0.981 1.830 -0.704) 2.192 28.484 ( 0.981 1.830 0.704) 2.192 28.827 ( -5.327 -2.400 -3.525) 6.824 28.827 ( 5.327 -2.400 3.525) 6.824 28.987 ( 3.734 1.086 -3.341) 5.127 28.987 ( -3.734 1.086 3.341) 5.127 29.302 ( 0.969 -8.883 -1.514) 9.063 29.302 ( -0.969 -8.883 1.514) 9.063 29.587 ( -10.524 -14.155 -1.049) 17.669 29.587 ( 10.524 -14.155 1.049) 17.669 29.964 ( -1.667 -4.020 -0.457) 4.376 29.964 ( 1.667 -4.020 0.457) 4.376 30.036 ( 0.903 -2.256 -1.911) 3.092 30.036 ( -0.903 -2.256 1.911) 3.092 31.641 ( -1.521 0.827 -0.659) 1.852 31.641 ( 1.521 0.827 0.659) 1.852 31.781 ( -2.530 -0.462 -3.316) 4.197 31.781 ( 2.530 -0.462 3.316) 4.197 31.983 ( -2.668 -4.082 -6.842) 8.402 31.983 ( 2.668 -4.082 6.842) 8.402 32.225 ( 4.419 -3.972 -1.894) 6.236 32.225 ( -4.419 -3.972 1.894) 6.236 33.974 ( -0.098 32.949 -7.084) 33.702 33.974 ( 0.098 32.949 7.084) 33.702 34.208 ( 10.111 19.184 -5.950) 22.487 34.208 ( -10.111 19.184 5.950) 22.487 35.093 ( -1.340 -16.596 -0.819) 16.670 35.093 ( 1.340 -16.596 0.819) 16.670 35.182 ( 4.984 -15.905 -2.346) 16.832 35.182 ( -4.984 -15.905 2.346) 16.832 ======================= Grid point 99 (45/50) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( 8.085 0.988 -10.773) 13.505 1.628 ( -8.085 0.988 10.773) 13.505 2.235 ( -1.435 2.765 -13.848) 14.194 2.235 ( 1.435 2.765 13.848) 14.194 2.307 ( -11.163 1.547 2.160) 11.475 2.307 ( 11.163 1.547 -2.160) 11.475 2.443 ( -9.005 3.148 -16.526) 19.081 2.443 ( 9.005 3.148 16.526) 19.081 2.798 ( -17.845 13.852 -12.618) 25.875 2.798 ( 17.845 13.852 12.618) 25.875 2.990 ( 7.577 10.812 -9.661) 16.360 2.990 ( -7.577 10.812 9.661) 16.360 3.254 ( 1.565 -9.381 -14.116) 17.021 3.254 ( -1.565 -9.381 14.116) 17.021 3.430 ( -8.139 10.671 -5.841) 14.637 3.430 ( 8.139 10.671 5.841) 14.637 3.555 ( -2.772 2.188 -3.101) 4.700 3.555 ( 2.772 2.188 3.101) 4.700 3.877 ( 5.940 -2.484 -7.089) 9.577 3.877 ( -5.940 -2.484 7.089) 9.577 4.291 ( -0.191 1.394 -6.644) 6.791 4.291 ( 0.191 1.394 6.644) 6.791 4.432 ( 0.846 10.740 -10.152) 14.803 4.432 ( -0.846 10.740 10.152) 14.803 4.746 ( 13.529 -6.621 -16.670) 22.467 4.746 ( -13.529 -6.621 16.670) 22.467 4.875 ( -4.367 9.241 -3.153) 10.696 4.875 ( 4.367 9.241 3.153) 10.696 5.183 ( -1.523 9.000 -1.602) 9.267 5.183 ( 1.523 9.000 1.602) 9.267 5.508 ( -6.500 0.989 -2.703) 7.109 5.508 ( 6.500 0.989 2.703) 7.109 5.652 ( -2.508 7.149 -7.808) 10.879 5.652 ( 2.508 7.149 7.808) 10.879 5.779 ( -3.479 11.404 -7.216) 13.937 5.779 ( 3.479 11.404 7.216) 13.937 6.074 ( 1.221 0.118 -5.360) 5.499 6.074 ( -1.221 0.118 5.360) 5.499 6.320 ( -2.700 10.478 -14.452) 18.054 6.320 ( 2.700 10.478 14.452) 18.054 6.455 ( -2.418 4.425 -14.606) 15.452 6.455 ( 2.418 4.425 14.606) 15.452 6.566 ( -2.072 -3.636 -7.180) 8.311 6.566 ( 2.072 -3.636 7.180) 8.311 6.769 ( -13.028 1.339 -3.055) 13.448 6.769 ( 13.028 1.339 3.055) 13.448 7.011 ( -6.089 7.473 -3.493) 10.253 7.011 ( 6.089 7.473 3.493) 10.253 7.144 ( -5.558 3.359 -7.510) 9.929 7.144 ( 5.558 3.359 7.510) 9.929 7.263 ( -6.423 1.885 -2.095) 7.014 7.263 ( 6.423 1.885 2.095) 7.014 7.389 ( -0.710 15.943 -6.763) 17.332 7.389 ( 0.710 15.943 6.763) 17.332 7.608 ( -5.270 8.152 -3.988) 10.494 7.608 ( 5.270 8.152 3.988) 10.494 7.717 ( -2.705 4.515 -9.349) 10.729 7.717 ( 2.705 4.515 9.349) 10.729 7.850 ( -9.451 0.240 -3.578) 10.109 7.850 ( 9.451 0.240 3.578) 10.109 8.158 ( 1.603 -1.111 -11.942) 12.100 8.158 ( -1.603 -1.111 11.942) 12.100 8.292 ( -10.737 1.921 -6.938) 12.927 8.292 ( 10.737 1.921 6.938) 12.927 8.479 ( -3.321 3.690 -0.666) 5.008 8.479 ( 3.321 3.690 0.666) 5.008 8.631 ( -1.432 1.686 -2.245) 3.151 8.631 ( 1.432 1.686 2.245) 3.151 8.749 ( -5.281 3.850 -0.287) 6.542 8.749 ( 5.281 3.850 0.287) 6.542 8.845 ( -1.477 -2.992 -1.365) 3.605 8.845 ( 1.477 -2.992 1.365) 3.605 9.284 ( 8.038 1.739 -5.584) 9.940 9.284 ( -8.038 1.739 5.584) 9.940 9.457 ( -2.034 -9.298 -9.133) 13.191 9.457 ( 2.034 -9.298 9.133) 13.191 9.604 ( 4.353 -3.846 -3.906) 6.999 9.604 ( -4.353 -3.846 3.906) 6.999 9.872 ( -1.598 -12.072 -9.292) 15.317 9.872 ( 1.598 -12.072 9.292) 15.317 10.290 ( -3.804 -2.956 -2.122) 5.264 10.290 ( 3.804 -2.956 2.122) 5.264 10.463 ( 5.431 -6.555 -5.182) 9.966 10.463 ( -5.431 -6.555 5.182) 9.966 10.664 ( 3.154 -4.993 -3.432) 6.831 10.664 ( -3.154 -4.993 3.432) 6.831 10.796 ( 0.074 -3.624 -2.249) 4.266 10.796 ( -0.074 -3.624 2.249) 4.266 11.313 ( -1.365 -0.877 -4.483) 4.768 11.313 ( 1.365 -0.877 4.483) 4.768 11.414 ( 0.958 -1.250 -2.810) 3.221 11.414 ( -0.958 -1.250 2.810) 3.221 11.683 ( -6.556 2.619 -3.622) 7.935 11.683 ( 6.556 2.619 3.622) 7.935 11.782 ( -0.308 -2.632 -3.508) 4.396 11.782 ( 0.308 -2.632 3.508) 4.396 11.841 ( -3.013 -0.678 -3.119) 4.390 11.841 ( 3.013 -0.678 3.119) 4.390 12.057 ( -2.147 0.977 -4.246) 4.858 12.057 ( 2.147 0.977 4.246) 4.858 12.296 ( -2.197 -2.997 -2.278) 4.359 12.296 ( 2.197 -2.997 2.278) 4.359 12.353 ( 4.875 -5.604 -7.211) 10.352 12.353 ( -4.875 -5.604 7.211) 10.352 16.326 ( 0.415 7.253 -1.054) 7.341 16.326 ( -0.415 7.253 1.054) 7.341 16.524 ( -0.074 3.589 -1.314) 3.823 16.524 ( 0.074 3.589 1.314) 3.823 16.805 ( 3.664 1.057 -2.977) 4.838 16.805 ( -3.664 1.057 2.977) 4.838 16.866 ( -0.178 -0.093 -3.237) 3.243 16.866 ( 0.178 -0.093 3.237) 3.243 17.060 ( 1.709 3.205 -4.463) 5.755 17.060 ( -1.709 3.205 4.463) 5.755 17.185 ( 0.716 2.269 -1.794) 2.979 17.185 ( -0.716 2.269 1.794) 2.979 17.367 ( -3.394 2.566 0.276) 4.264 17.367 ( 3.394 2.566 -0.276) 4.264 17.433 ( 6.869 1.638 -2.863) 7.620 17.433 ( -6.869 1.638 2.863) 7.620 17.561 ( -0.866 1.889 -4.788) 5.220 17.561 ( 0.866 1.889 4.788) 5.220 17.595 ( 2.488 1.172 -3.186) 4.209 17.595 ( -2.488 1.172 3.186) 4.209 17.890 ( -5.730 1.638 -0.879) 6.024 17.890 ( 5.730 1.638 0.879) 6.024 18.053 ( -4.559 -2.180 1.031) 5.157 18.053 ( 4.559 -2.180 -1.031) 5.157 19.356 ( -15.355 56.486 -3.117) 58.619 19.356 ( 15.355 56.486 3.117) 58.619 20.240 ( 0.642 46.230 -33.873) 57.316 20.240 ( -0.642 46.230 33.873) 57.316 22.281 ( 2.810 -34.617 -2.815) 34.845 22.281 ( -2.810 -34.617 2.815) 34.845 22.462 ( -3.271 -40.862 0.130) 40.992 22.462 ( 3.271 -40.862 -0.130) 40.992 28.435 ( 0.023 1.768 -4.886) 5.196 28.435 ( -0.023 1.768 4.886) 5.196 28.541 ( -2.332 0.023 -4.280) 4.874 28.541 ( 2.332 0.023 4.280) 4.874 28.808 ( -3.274 3.020 -4.820) 6.563 28.808 ( 3.274 3.020 4.820) 6.563 29.038 ( -0.981 2.615 -5.366) 6.049 29.038 ( 0.981 2.615 5.366) 6.049 29.202 ( -0.829 -2.373 -6.666) 7.124 29.202 ( 0.829 -2.373 6.666) 7.124 29.364 ( -4.351 -7.891 -8.804) 12.598 29.364 ( 4.351 -7.891 8.804) 12.598 29.793 ( -0.816 -9.264 -6.499) 11.345 29.793 ( 0.816 -9.264 6.499) 11.345 29.931 ( 0.785 -9.253 -1.658) 9.433 29.931 ( -0.785 -9.253 1.658) 9.433 31.658 ( -3.109 0.578 -0.220) 3.170 31.658 ( 3.109 0.578 0.220) 3.170 31.753 ( -0.674 -0.536 -1.292) 1.552 31.753 ( 0.674 -0.536 1.292) 1.552 31.908 ( -3.695 -3.384 -0.225) 5.015 31.908 ( 3.695 -3.384 0.225) 5.015 32.111 ( -2.594 -6.235 -3.498) 7.605 32.111 ( 2.594 -6.235 3.498) 7.605 34.483 ( 2.826 15.794 -2.624) 16.258 34.483 ( -2.826 15.794 2.624) 16.258 34.558 ( 1.443 13.386 -5.178) 14.425 34.558 ( -1.443 13.386 5.178) 14.425 34.887 ( -1.446 -5.987 -2.951) 6.829 34.887 ( 1.446 -5.987 2.951) 6.829 34.914 ( -1.161 -6.805 -0.173) 6.906 34.914 ( 1.161 -6.805 0.173) 6.906 ======================= Grid point 101 (46/50) ======================= q-point: ( 0.25 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( -6.308 -8.359 18.381) 21.155 1.821 ( -5.255 14.591 7.161) 17.082 1.915 ( -2.430 0.184 2.878) 3.771 2.090 ( 1.583 10.310 -5.097) 11.610 2.122 ( 4.490 2.264 -0.128) 5.030 2.431 ( -6.426 7.886 1.378) 10.265 2.583 ( -9.054 2.180 -7.179) 11.759 2.632 ( 10.905 -6.351 7.113) 14.486 2.793 ( 10.349 5.221 -0.301) 11.595 2.819 ( -0.148 17.617 -6.746) 18.865 2.882 ( -0.631 -1.211 -14.197) 14.262 3.139 ( 1.012 15.823 9.506) 18.487 3.206 ( -6.650 -8.818 14.040) 17.863 3.259 ( 0.736 5.807 -12.594) 13.887 3.306 ( 1.509 3.556 9.370) 10.135 3.361 ( -3.982 -1.439 -0.568) 4.272 3.623 ( 2.505 1.251 0.790) 2.909 3.767 ( -6.782 4.766 18.372) 20.156 3.914 ( -1.113 5.797 7.535) 9.572 3.950 ( -1.914 -0.692 -5.409) 5.779 4.018 ( -1.975 0.704 -9.214) 9.449 4.242 ( -3.077 6.906 2.253) 7.889 4.381 ( 6.514 10.616 3.818) 13.028 4.529 ( 0.318 6.143 3.796) 7.229 4.640 ( -5.198 7.271 0.256) 8.942 4.853 ( 4.540 6.356 0.929) 7.865 4.956 ( -1.225 9.566 2.725) 10.022 5.012 ( 6.041 -3.514 0.514) 7.007 5.096 ( -8.945 9.727 -8.929) 15.949 5.291 ( -0.025 -11.221 -23.582) 26.116 5.306 ( 17.178 -12.362 -11.469) 24.071 5.442 ( 2.069 8.201 1.344) 8.564 5.605 ( 5.336 19.488 -6.470) 21.216 5.672 ( -4.628 5.314 -6.736) 9.748 5.761 ( 6.320 5.451 -4.024) 9.265 5.837 ( 0.450 3.875 5.581) 6.809 6.004 ( -0.271 4.297 -0.385) 4.323 6.176 ( 4.392 3.529 -6.419) 8.541 6.227 ( 5.123 12.903 -12.285) 18.538 6.294 ( 3.258 2.067 -10.151) 10.859 6.479 ( -0.860 -2.110 5.221) 5.697 6.519 ( -0.050 -1.791 3.596) 4.018 6.632 ( -0.580 2.693 7.181) 7.692 6.681 ( -14.082 12.211 4.132) 19.091 6.742 ( 3.081 7.807 12.386) 14.962 6.753 ( -3.490 1.683 0.760) 3.949 6.922 ( 2.638 11.016 9.049) 14.498 7.040 ( -7.359 14.967 3.380) 17.017 7.066 ( -8.502 9.483 8.599) 15.367 7.202 ( -9.815 3.902 -0.418) 10.570 7.279 ( 8.728 -1.724 4.436) 9.942 7.302 ( -2.674 -3.102 -1.630) 4.408 7.415 ( 9.321 9.744 -6.909) 15.151 7.445 ( 1.493 6.192 -1.995) 6.674 7.484 ( 6.191 1.601 4.540) 7.843 7.553 ( -3.506 2.594 -3.083) 5.341 7.631 ( 4.174 4.426 -8.558) 10.500 7.771 ( -3.318 11.496 -10.107) 15.662 7.804 ( 8.856 5.826 -0.103) 10.601 7.994 ( 0.548 5.685 -4.370) 7.191 8.052 ( -9.087 -6.488 7.318) 13.349 8.269 ( 8.067 1.958 9.295) 12.462 8.294 ( -2.418 1.274 -0.480) 2.775 8.332 ( -0.769 -1.010 -0.822) 1.513 8.408 ( -11.921 3.997 -2.603) 12.839 8.474 ( -3.654 2.941 7.505) 8.850 8.548 ( 1.147 1.506 2.297) 2.976 8.707 ( 3.009 0.372 -0.986) 3.188 8.735 ( 0.273 6.169 -4.504) 7.644 8.753 ( -5.735 -1.402 0.647) 5.939 8.821 ( 3.894 -2.927 -5.089) 7.044 8.903 ( 3.508 1.045 5.379) 6.507 9.183 ( 1.614 -0.456 -0.944) 1.924 9.311 ( 5.058 0.292 -7.015) 8.654 9.350 ( 2.395 -2.508 -4.551) 5.722 9.514 ( 2.458 -1.637 -0.682) 3.031 9.660 ( -0.614 -8.312 0.113) 8.336 9.676 ( -5.947 -4.249 2.502) 7.725 9.764 ( 3.720 -9.163 -4.182) 10.738 9.964 ( -2.786 -16.398 5.577) 17.543 10.278 ( -2.578 -7.705 5.973) 10.084 10.372 ( -3.741 -4.874 3.834) 7.242 10.391 ( 2.343 -2.670 0.225) 3.559 10.457 ( 1.434 -3.346 -0.900) 3.749 10.624 ( -2.098 -6.955 -2.987) 7.854 10.672 ( -1.209 -3.334 0.615) 3.599 10.801 ( 5.214 -5.909 -2.700) 8.330 10.834 ( 3.659 -5.112 -2.985) 6.959 11.281 ( 2.227 3.330 -1.747) 4.370 11.339 ( -4.132 3.577 -2.960) 6.216 11.353 ( -3.488 -1.869 3.054) 4.999 11.415 ( 3.416 -1.564 -1.201) 3.945 11.630 ( -2.018 -4.403 -1.112) 4.969 11.695 ( 0.939 -5.786 -0.153) 5.863 11.782 ( 0.604 -3.052 -1.060) 3.287 11.794 ( 0.548 -3.110 -2.641) 4.117 11.926 ( -1.451 0.951 1.035) 2.020 11.937 ( 2.966 3.562 -0.563) 4.669 12.003 ( -0.688 4.748 9.041) 10.235 12.087 ( 0.447 0.936 -0.908) 1.378 12.211 ( -0.375 0.372 -0.997) 1.129 12.298 ( 0.340 -6.190 -4.193) 7.484 12.340 ( -4.412 -4.175 6.664) 9.017 12.374 ( 2.443 -6.411 -2.445) 7.283 16.396 ( -0.642 5.012 4.102) 6.508 16.405 ( 2.658 4.032 6.627) 8.200 16.447 ( -3.191 6.923 3.860) 8.545 16.484 ( -5.701 5.062 -0.137) 7.625 16.712 ( -1.598 6.230 0.823) 6.484 16.813 ( -0.554 -0.755 0.999) 1.369 16.859 ( 1.091 -1.008 -2.887) 3.247 16.930 ( -0.459 0.135 1.254) 1.342 17.080 ( -3.021 2.055 4.468) 5.772 17.133 ( 2.317 2.704 1.279) 3.783 17.142 ( -0.605 2.773 -1.810) 3.367 17.208 ( 0.402 3.181 0.274) 3.218 17.277 ( -4.334 -0.070 6.449) 7.770 17.329 ( -6.299 -0.711 3.709) 7.344 17.357 ( -2.137 0.045 3.532) 4.128 17.438 ( -1.155 1.073 4.605) 4.867 17.543 ( 4.575 3.684 -6.480) 8.745 17.613 ( 1.021 4.210 -2.611) 5.058 17.629 ( 2.280 5.774 -1.606) 6.412 17.676 ( 3.499 2.002 -5.788) 7.054 17.883 ( 4.865 -0.974 2.603) 5.603 17.902 ( -5.121 -1.839 -2.335) 5.921 18.001 ( 2.983 -0.249 -3.909) 4.923 18.073 ( 1.283 -1.646 -3.598) 4.159 19.184 ( -0.720 58.661 1.017) 58.675 19.761 ( 9.661 52.217 -11.699) 54.377 19.802 ( 5.487 51.901 -15.093) 54.328 20.428 ( -18.912 42.323 31.405) 55.993 22.283 ( 0.396 -34.241 -0.356) 34.245 22.357 ( -3.076 -33.893 -0.990) 34.046 22.375 ( 1.593 -36.290 4.044) 36.549 22.486 ( 1.083 -46.197 -1.086) 46.222 28.432 ( 4.934 1.251 -5.763) 7.689 28.460 ( 3.170 0.270 -6.719) 7.434 28.543 ( 2.966 3.057 1.062) 4.390 28.587 ( -3.275 3.390 -1.868) 5.070 28.740 ( 3.928 2.054 -1.767) 4.772 28.890 ( -2.579 -3.627 -5.369) 6.974 28.920 ( 3.458 0.151 1.211) 3.667 29.068 ( -2.224 4.183 3.118) 5.671 29.183 ( 4.554 -2.087 -1.981) 5.386 29.223 ( -1.473 -2.587 -4.902) 5.735 29.265 ( -1.748 -0.684 3.247) 3.751 29.487 ( -4.570 -11.096 6.113) 13.468 29.727 ( 3.842 -9.589 -5.194) 11.562 29.858 ( -1.029 -9.531 4.147) 10.445 29.910 ( -1.157 -8.752 0.067) 8.828 29.935 ( -1.203 -9.034 1.789) 9.288 31.623 ( -1.259 -0.080 1.903) 2.283 31.713 ( -2.231 1.481 -1.004) 2.860 31.725 ( 1.967 1.139 2.145) 3.125 31.776 ( -1.650 -4.854 4.206) 6.631 31.864 ( 1.233 1.626 -3.109) 3.718 31.995 ( -0.572 -6.378 -5.081) 8.175 32.011 ( 4.466 -6.203 -1.948) 7.887 32.158 ( 0.054 -5.966 0.151) 5.968 34.467 ( -2.167 15.747 3.509) 16.278 34.508 ( 2.407 15.574 -3.082) 16.057 34.526 ( 1.017 15.428 -3.598) 15.874 34.573 ( -3.382 10.874 4.927) 12.408 34.842 ( -0.346 -2.967 -0.749) 3.079 34.902 ( -0.570 -6.503 0.825) 6.579 34.913 ( -0.916 -7.003 1.232) 7.169 34.947 ( 0.238 -8.136 2.418) 8.491 ======================= Grid point 102 (47/50) ======================= q-point: (-0.50 0.33 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 4.825 3.097 -9.999) 11.526 1.671 ( -4.825 3.097 9.999) 11.526 2.152 ( -12.819 -4.410 -5.890) 14.781 2.152 ( 12.819 -4.410 5.890) 14.781 2.367 ( -6.550 1.790 -3.096) 7.463 2.367 ( 6.550 1.790 3.096) 7.463 2.469 ( 1.058 5.877 -8.260) 10.193 2.469 ( -1.058 5.877 8.260) 10.193 2.799 ( -18.282 18.609 -8.887) 27.559 2.799 ( 18.282 18.609 8.887) 27.559 3.019 ( 2.367 7.284 -5.180) 9.246 3.019 ( -2.367 7.284 5.180) 9.246 3.217 ( 1.030 4.601 -19.629) 20.187 3.217 ( -1.030 4.601 19.629) 20.187 3.355 ( -1.658 -3.637 -11.954) 12.604 3.355 ( 1.658 -3.637 11.954) 12.604 3.620 ( -11.995 -7.162 -7.917) 16.058 3.620 ( 11.995 -7.162 7.917) 16.058 4.030 ( 3.062 15.331 -10.091) 18.608 4.030 ( -3.062 15.331 10.091) 18.608 4.102 ( -10.323 2.964 -5.273) 11.965 4.102 ( 10.323 2.964 5.273) 11.965 4.540 ( 3.606 14.760 -18.171) 23.687 4.540 ( -3.606 14.760 18.171) 23.687 4.767 ( -3.744 -15.497 -24.864) 29.537 4.767 ( 3.744 -15.497 24.864) 29.537 4.939 ( 0.467 6.766 -5.667) 8.838 4.939 ( -0.467 6.766 5.667) 8.838 4.997 ( -5.875 5.644 -1.938) 8.375 4.997 ( 5.875 5.644 1.938) 8.375 5.518 ( 5.867 -9.593 -4.443) 12.091 5.518 ( -5.867 -9.593 4.443) 12.091 5.657 ( 0.890 13.361 -10.233) 16.853 5.657 ( -0.890 13.361 10.233) 16.853 5.791 ( 3.233 11.788 -3.722) 12.778 5.791 ( -3.233 11.788 3.722) 12.778 6.045 ( -2.385 4.300 -7.537) 8.999 6.045 ( 2.385 4.300 7.537) 8.999 6.370 ( 10.135 13.889 -6.991) 18.561 6.370 ( -10.135 13.889 6.991) 18.561 6.448 ( -7.431 -2.425 -0.253) 7.821 6.448 ( 7.431 -2.425 0.253) 7.821 6.532 ( 0.254 -1.691 -2.412) 2.956 6.532 ( -0.254 -1.691 2.412) 2.956 6.809 ( -12.331 13.936 -5.978) 19.545 6.809 ( 12.331 13.936 5.978) 19.545 6.997 ( -5.571 2.011 -6.550) 8.831 6.997 ( 5.571 2.011 6.550) 8.831 7.135 ( -8.418 2.971 -9.086) 12.737 7.135 ( 8.418 2.971 9.086) 12.737 7.246 ( 2.967 1.578 -6.497) 7.314 7.246 ( -2.967 1.578 6.497) 7.314 7.434 ( 0.822 14.460 -10.029) 17.616 7.434 ( -0.822 14.460 10.029) 17.616 7.605 ( 0.990 7.761 -3.482) 8.564 7.605 ( -0.990 7.761 3.482) 8.564 7.755 ( -11.785 0.125 -9.596) 15.198 7.755 ( 11.785 0.125 9.596) 15.198 7.845 ( -11.565 3.204 -1.233) 12.064 7.845 ( 11.565 3.204 1.233) 12.064 8.085 ( -2.138 -3.623 -12.602) 13.286 8.085 ( 2.138 -3.623 12.602) 13.286 8.297 ( -5.926 6.326 -5.260) 10.139 8.297 ( 5.926 6.326 5.260) 10.139 8.461 ( -3.738 1.310 -1.993) 4.434 8.461 ( 3.738 1.310 1.993) 4.434 8.629 ( 0.976 0.721 -7.133) 7.235 8.629 ( -0.976 0.721 7.133) 7.235 8.715 ( -0.654 5.392 -4.373) 6.973 8.715 ( 0.654 5.392 4.373) 6.973 8.898 ( -4.526 -3.875 -0.070) 5.959 8.898 ( 4.526 -3.875 0.070) 5.959 9.304 ( 2.761 -0.587 -7.927) 8.415 9.304 ( -2.761 -0.587 7.927) 8.415 9.494 ( -11.603 -10.845 -4.552) 16.522 9.494 ( 11.603 -10.845 4.552) 16.522 9.559 ( 3.809 0.962 -3.768) 5.444 9.559 ( -3.809 0.962 3.768) 5.444 9.871 ( 3.824 -9.673 -7.019) 12.548 9.871 ( -3.824 -9.673 7.019) 12.548 10.300 ( -2.012 -6.213 -4.305) 7.822 10.300 ( 2.012 -6.213 4.305) 7.822 10.496 ( 2.448 -5.896 -7.804) 10.082 10.496 ( -2.448 -5.896 7.804) 10.082 10.601 ( -2.955 -4.169 -1.625) 5.362 10.601 ( 2.955 -4.169 1.625) 5.362 10.862 ( 1.891 -6.702 -1.466) 7.116 10.862 ( -1.891 -6.702 1.466) 7.116 11.277 ( 1.212 0.567 -1.789) 2.234 11.277 ( -1.212 0.567 1.789) 2.234 11.397 ( -3.710 2.875 -3.228) 5.697 11.397 ( 3.710 2.875 3.228) 5.697 11.653 ( -4.318 -3.117 -5.131) 7.395 11.653 ( 4.318 -3.117 5.131) 7.395 11.771 ( -1.738 -1.881 -3.881) 4.650 11.771 ( 1.738 -1.881 3.881) 4.650 11.900 ( -0.280 -0.399 -3.477) 3.511 11.900 ( 0.280 -0.399 3.477) 3.511 12.083 ( 3.610 1.526 -3.076) 4.982 12.083 ( -3.610 1.526 3.076) 4.982 12.261 ( 2.528 -3.030 -7.986) 8.908 12.261 ( -2.528 -3.030 7.986) 8.908 12.361 ( -1.111 -4.781 -2.162) 5.364 12.361 ( 1.111 -4.781 2.162) 5.364 16.372 ( -1.131 7.367 -1.286) 7.564 16.372 ( 1.131 7.367 1.286) 7.564 16.499 ( 0.140 3.858 -0.543) 3.898 16.499 ( -0.140 3.858 0.543) 3.898 16.769 ( -1.316 2.283 -4.694) 5.383 16.769 ( 1.316 2.283 4.694) 5.383 16.888 ( 0.433 -0.921 -1.638) 1.929 16.888 ( -0.433 -0.921 1.638) 1.929 17.059 ( 0.235 2.096 -3.144) 3.786 17.059 ( -0.235 2.096 3.144) 3.786 17.184 ( 2.414 1.026 -2.660) 3.736 17.184 ( -2.414 1.026 2.660) 3.736 17.344 ( -0.055 2.147 -1.846) 2.832 17.344 ( 0.055 2.147 1.846) 2.832 17.419 ( -1.675 2.299 -5.612) 6.291 17.419 ( 1.675 2.299 5.612) 6.291 17.579 ( -1.470 3.041 -4.071) 5.290 17.579 ( 1.470 3.041 4.071) 5.290 17.614 ( -3.160 0.837 -6.173) 6.985 17.614 ( 3.160 0.837 6.173) 6.985 17.897 ( -3.220 1.892 -4.824) 6.101 17.897 ( 3.220 1.892 4.824) 6.101 18.041 ( -1.392 -2.097 -4.473) 5.132 18.041 ( 1.392 -2.097 4.473) 5.132 19.354 ( -10.175 56.820 -12.102) 58.979 19.354 ( 10.175 56.820 12.102) 58.979 20.228 ( 28.742 45.794 -16.499) 56.528 20.228 ( -28.742 45.794 16.499) 56.528 22.281 ( 2.970 -33.446 -4.381) 33.862 22.281 ( -2.970 -33.446 4.381) 33.862 22.473 ( -0.065 -41.889 -4.533) 42.134 22.473 ( 0.065 -41.889 4.533) 42.134 28.465 ( 3.877 1.616 -2.630) 4.956 28.465 ( -3.877 1.616 2.630) 4.956 28.521 ( -2.849 1.300 -0.536) 3.177 28.521 ( 2.849 1.300 0.536) 3.177 28.821 ( 1.651 1.866 -1.748) 3.044 28.821 ( -1.651 1.866 1.748) 3.044 29.024 ( 0.263 2.275 -0.550) 2.355 29.024 ( -0.263 2.275 0.550) 2.355 29.210 ( 4.999 -1.039 -3.299) 6.079 29.210 ( -4.999 -1.039 3.299) 6.079 29.339 ( -8.340 -8.675 -1.716) 12.156 29.339 ( 8.340 -8.675 1.716) 12.156 29.811 ( -0.306 -10.406 -0.657) 10.431 29.811 ( 0.306 -10.406 0.657) 10.431 29.923 ( 2.133 -8.226 -3.175) 9.071 29.923 ( -2.133 -8.226 3.175) 9.071 31.653 ( -1.495 0.515 -2.468) 2.931 31.653 ( 1.495 0.515 2.468) 2.931 31.771 ( -0.722 -0.817 -0.716) 1.304 31.771 ( 0.722 -0.817 0.716) 1.304 31.895 ( -1.913 -3.214 -3.238) 4.947 31.895 ( 1.913 -3.214 3.238) 4.947 32.116 ( -4.149 -6.132 -0.454) 7.418 32.116 ( 4.149 -6.132 0.454) 7.418 34.483 ( 0.608 16.042 -3.755) 16.487 34.483 ( -0.608 16.042 3.755) 16.487 34.546 ( 3.807 12.728 -3.658) 13.779 34.546 ( -3.807 12.728 3.658) 13.779 34.863 ( -1.806 -4.933 -1.092) 5.366 34.863 ( 1.806 -4.933 1.092) 5.366 34.944 ( -1.542 -7.268 -0.200) 7.433 34.944 ( 1.542 -7.268 0.200) 7.433 ======================= Grid point 105 (48/50) ======================= q-point: ( 0.00 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( -5.768 4.601 -2.219) 7.705 1.680 ( 5.768 4.601 2.219) 7.705 2.042 ( -1.354 -10.715 -11.884) 16.058 2.042 ( 1.354 -10.715 11.884) 16.058 2.451 ( -3.681 6.404 -7.251) 10.351 2.451 ( 3.681 6.404 7.251) 10.351 2.578 ( 1.383 5.219 -3.569) 6.472 2.578 ( -1.383 5.219 3.569) 6.472 2.836 ( -2.216 -7.024 -11.192) 13.398 2.836 ( 2.216 -7.024 11.192) 13.398 3.137 ( -0.534 2.816 -5.081) 5.833 3.137 ( 0.534 2.816 5.081) 5.833 3.346 ( -20.182 13.851 -3.343) 24.705 3.346 ( 20.182 13.851 3.343) 24.705 3.504 ( -7.040 5.506 -9.602) 13.118 3.504 ( 7.040 5.506 9.602) 13.118 3.626 ( -12.121 -3.609 -1.748) 12.767 3.626 ( 12.121 -3.609 1.748) 12.767 3.878 ( 14.486 -15.323 -11.289) 23.918 3.878 ( -14.486 -15.323 11.289) 23.918 4.148 ( -13.370 18.058 -10.645) 24.863 4.148 ( 13.370 18.058 10.645) 24.863 4.575 ( -1.244 2.745 -5.496) 6.268 4.575 ( 1.244 2.745 5.496) 6.268 4.813 ( -8.574 -14.929 -3.517) 17.572 4.813 ( 8.574 -14.929 3.517) 17.572 4.956 ( -4.056 6.954 -1.046) 8.118 4.956 ( 4.056 6.954 1.046) 8.118 5.197 ( -3.159 -5.508 -2.115) 6.693 5.197 ( 3.159 -5.508 2.115) 6.693 5.283 ( 0.152 -2.730 -0.749) 2.835 5.283 ( -0.152 -2.730 0.749) 2.835 5.862 ( -5.683 8.856 -6.733) 12.492 5.862 ( 5.683 8.856 6.733) 12.492 6.060 ( 0.201 11.102 -4.484) 11.976 6.060 ( -0.201 11.102 4.484) 11.976 6.135 ( -2.827 2.055 -2.190) 4.124 6.135 ( 2.827 2.055 2.190) 4.124 6.353 ( 1.881 -7.144 -6.912) 10.117 6.353 ( -1.881 -7.144 6.912) 10.117 6.482 ( -5.716 0.907 -4.216) 7.160 6.482 ( 5.716 0.907 4.216) 7.160 6.552 ( 2.312 0.219 -2.221) 3.214 6.552 ( -2.312 0.219 2.221) 3.214 6.838 ( -3.022 4.607 -5.760) 7.971 6.838 ( 3.022 4.607 5.760) 7.971 7.048 ( -3.699 -4.024 -6.640) 8.600 7.048 ( 3.699 -4.024 6.640) 8.600 7.136 ( -5.801 1.527 -2.593) 6.535 7.136 ( 5.801 1.527 2.593) 6.535 7.247 ( 2.223 -1.717 -4.999) 5.734 7.247 ( -2.223 -1.717 4.999) 5.734 7.716 ( -6.593 8.956 -3.701) 11.721 7.716 ( 6.593 8.956 3.701) 11.721 7.761 ( -4.022 3.992 -12.699) 13.906 7.761 ( 4.022 3.992 12.699) 13.906 7.848 ( -4.644 1.864 -10.379) 11.522 7.848 ( 4.644 1.864 10.379) 11.522 7.911 ( 1.144 4.327 -5.691) 7.240 7.911 ( -1.144 4.327 5.691) 7.240 8.116 ( -6.866 4.578 -3.130) 8.826 8.116 ( 6.866 4.578 3.130) 8.826 8.291 ( -12.805 -4.410 1.517) 13.628 8.291 ( 12.805 -4.410 -1.517) 13.628 8.576 ( 3.485 6.084 -5.941) 9.190 8.576 ( -3.485 6.084 5.941) 9.190 8.697 ( 1.990 -0.166 -7.581) 7.840 8.697 ( -1.990 -0.166 7.581) 7.840 8.759 ( -1.936 2.606 -6.347) 7.129 8.759 ( 1.936 2.606 6.347) 7.129 8.879 ( -8.404 2.315 -0.959) 8.769 8.879 ( 8.404 2.315 0.959) 8.769 9.207 ( 5.962 -5.882 -5.199) 9.857 9.207 ( -5.962 -5.882 5.199) 9.857 9.330 ( -1.452 -2.109 -3.007) 3.949 9.330 ( 1.452 -2.109 3.007) 3.949 9.487 ( 0.410 -5.407 -1.924) 5.753 9.487 ( -0.410 -5.407 1.924) 5.753 9.719 ( 1.279 -3.618 -4.204) 5.692 9.719 ( -1.279 -3.618 4.204) 5.692 10.280 ( -3.798 1.530 -4.144) 5.826 10.280 ( 3.798 1.530 4.144) 5.826 10.355 ( -5.389 -4.404 -0.347) 6.968 10.355 ( 5.389 -4.404 0.347) 6.968 10.570 ( 0.629 -2.835 -2.027) 3.541 10.570 ( -0.629 -2.835 2.027) 3.541 10.720 ( -0.284 -2.581 -1.388) 2.944 10.720 ( 0.284 -2.581 1.388) 2.944 11.346 ( 0.114 2.704 -0.237) 2.717 11.346 ( -0.114 2.704 0.237) 2.717 11.409 ( -2.410 0.020 -3.921) 4.602 11.409 ( 2.410 0.020 3.921) 4.602 11.687 ( 0.943 -1.078 -0.833) 1.657 11.687 ( -0.943 -1.078 0.833) 1.657 11.756 ( -0.746 -0.970 -0.871) 1.502 11.756 ( 0.746 -0.970 0.871) 1.502 11.947 ( 0.480 8.744 -8.000) 11.861 11.947 ( -0.480 8.744 8.000) 11.861 12.082 ( -0.801 0.541 -2.809) 2.971 12.082 ( 0.801 0.541 2.809) 2.971 12.197 ( -1.005 -4.451 -1.222) 4.724 12.197 ( 1.005 -4.451 1.222) 4.724 12.233 ( 1.176 -5.717 -3.212) 6.662 12.233 ( -1.176 -5.717 3.212) 6.662 16.471 ( -1.433 5.508 -1.256) 5.828 16.471 ( 1.433 5.508 1.256) 5.828 16.590 ( -2.519 1.753 -1.732) 3.524 16.590 ( 2.519 1.753 1.732) 3.524 16.774 ( -0.431 -2.395 -1.270) 2.744 16.774 ( 0.431 -2.395 1.270) 2.744 16.862 ( -2.275 -0.459 -1.642) 2.843 16.862 ( 2.275 -0.459 1.642) 2.843 17.126 ( 0.464 2.414 -1.995) 3.166 17.126 ( -0.464 2.414 1.995) 3.166 17.210 ( 0.955 0.245 -2.134) 2.351 17.210 ( -0.955 0.245 2.134) 2.351 17.411 ( -2.257 1.346 0.080) 2.629 17.411 ( 2.257 1.346 -0.080) 2.629 17.453 ( -1.160 0.362 -0.159) 1.225 17.453 ( 1.160 0.362 0.159) 1.225 17.585 ( 1.458 1.051 -4.201) 4.569 17.585 ( -1.458 1.051 4.201) 4.569 17.606 ( -2.097 -0.304 -4.026) 4.550 17.606 ( 2.097 -0.304 4.026) 4.550 17.911 ( -3.224 0.745 -0.416) 3.335 17.911 ( 3.224 0.745 0.416) 3.335 18.002 ( -1.165 -1.981 -0.118) 2.301 18.002 ( 1.165 -1.981 0.118) 2.301 20.461 ( -10.894 49.125 -2.239) 50.368 20.461 ( 10.894 49.125 2.239) 50.368 21.047 ( 2.764 29.043 -18.322) 34.450 21.047 ( -2.764 29.043 18.323) 34.450 21.463 ( -3.435 -37.678 -1.040) 37.848 21.463 ( 3.435 -37.678 1.040) 37.848 21.764 ( -0.797 -30.557 -9.843) 32.113 21.764 ( 0.797 -30.557 9.843) 32.113 28.470 ( -0.418 1.360 -3.798) 4.056 28.470 ( 0.418 1.360 3.798) 4.056 28.526 ( -1.777 -0.962 -3.937) 4.426 28.526 ( 1.777 -0.962 3.937) 4.426 28.909 ( -6.651 5.979 -7.068) 11.400 28.909 ( 6.651 5.979 7.068) 11.400 29.035 ( -7.599 -4.800 -10.863) 14.100 29.035 ( 7.599 -4.800 10.863) 14.100 29.188 ( -0.252 2.648 -2.176) 3.436 29.188 ( 0.252 2.648 2.176) 3.436 29.316 ( -0.876 0.722 -2.031) 2.327 29.316 ( 0.876 0.722 2.031) 2.327 29.628 ( -0.478 -3.905 -4.651) 6.091 29.628 ( 0.478 -3.905 4.651) 6.091 29.712 ( -0.341 -9.983 -0.581) 10.006 29.712 ( 0.341 -9.983 0.581) 10.006 31.675 ( -4.100 1.107 0.642) 4.295 31.675 ( 4.100 1.107 -0.642) 4.295 31.727 ( -2.816 -1.881 0.785) 3.476 31.727 ( 2.816 -1.881 -0.785) 3.476 31.894 ( -3.120 2.303 0.177) 3.882 31.894 ( 3.120 2.303 -0.177) 3.882 31.983 ( -3.960 -5.688 -1.470) 7.085 31.983 ( 3.960 -5.688 1.470) 7.085 34.684 ( -3.279 5.085 0.567) 6.077 34.684 ( 3.279 5.085 -0.567) 6.077 34.725 ( -0.098 2.190 -0.779) 2.327 34.725 ( 0.098 2.190 0.779) 2.327 34.837 ( -0.182 0.047 -1.902) 1.911 34.837 ( 0.182 0.047 1.902) 1.911 34.854 ( 0.072 -0.206 -1.749) 1.763 34.854 ( -0.072 -0.206 1.749) 1.763 ======================= Grid point 107 (49/50) ======================= q-point: ( 0.25 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( -3.691 2.713 8.367) 9.539 1.763 ( 4.900 -9.130 -3.473) 10.928 2.072 ( -5.537 9.452 8.259) 13.719 2.165 ( -6.911 7.287 2.129) 10.266 2.313 ( 2.730 -10.427 8.062) 13.460 2.408 ( -4.971 -14.266 4.064) 15.645 2.555 ( -6.840 15.344 4.916) 17.504 2.767 ( -11.400 17.858 20.824) 29.708 2.883 ( 1.174 -4.853 11.163) 12.228 2.933 ( 8.041 7.407 -8.144) 13.633 2.979 ( 4.081 3.551 0.912) 5.486 3.082 ( 4.355 -0.694 0.610) 4.452 3.179 ( -8.007 -5.176 -4.903) 10.721 3.244 ( -4.001 -0.861 -8.358) 9.306 3.320 ( -8.002 -8.689 2.518) 12.078 3.440 ( -5.198 -8.287 12.770) 16.086 3.715 ( 7.456 3.092 -11.491) 14.042 3.859 ( 1.093 -4.598 4.561) 6.568 3.874 ( 10.272 16.105 -5.390) 19.848 4.108 ( 16.882 12.393 3.700) 21.267 4.189 ( -20.030 21.673 -7.348) 30.412 4.273 ( 10.393 2.276 1.699) 10.774 4.490 ( -0.687 -6.772 2.483) 7.246 4.690 ( 3.588 4.618 0.366) 5.860 4.783 ( 5.325 -12.085 -1.971) 13.353 4.845 ( 0.473 -16.231 -6.650) 17.547 4.892 ( -0.624 6.848 -4.847) 8.413 4.973 ( -0.528 3.192 -7.860) 8.500 5.099 ( 1.758 -2.879 -8.080) 8.756 5.130 ( -2.490 -6.001 -4.678) 8.006 5.214 ( -3.861 -1.899 -5.673) 7.121 5.258 ( 4.801 -11.440 -7.836) 14.674 5.698 ( 0.467 12.588 1.411) 12.676 5.924 ( 2.939 2.049 -4.953) 6.113 5.932 ( -7.376 7.324 6.653) 12.341 6.039 ( 2.181 7.207 5.276) 9.195 6.111 ( -2.150 0.794 -2.261) 3.219 6.174 ( 1.456 6.744 -3.616) 7.790 6.293 ( -0.053 -5.384 -0.106) 5.385 6.362 ( 4.343 -5.308 -2.257) 7.220 6.558 ( 12.392 9.670 -2.222) 15.874 6.582 ( 2.746 5.192 -3.907) 7.054 6.667 ( -5.386 8.818 -9.136) 13.793 6.733 ( 2.267 -2.660 6.167) 7.088 6.807 ( 0.523 -3.608 8.512) 9.260 6.850 ( -5.909 0.226 -5.502) 8.077 6.941 ( 7.830 -1.568 0.589) 8.007 7.068 ( 3.570 -7.883 -2.621) 9.042 7.192 ( -4.388 -0.004 2.299) 4.954 7.217 ( -8.051 0.115 2.905) 8.560 7.353 ( 7.801 6.586 11.759) 15.573 7.385 ( -12.610 8.977 3.227) 15.812 7.455 ( 1.446 -1.791 2.988) 3.771 7.512 ( 6.324 -2.484 1.609) 6.982 7.599 ( -3.202 2.161 -12.183) 12.781 7.627 ( 6.530 4.867 -8.441) 11.729 7.772 ( -4.738 6.319 5.605) 9.685 7.879 ( -11.418 -7.510 12.974) 18.844 7.987 ( 2.362 12.094 -8.748) 15.111 8.096 ( 0.466 10.454 -5.912) 12.019 8.113 ( 5.406 4.804 -3.480) 8.026 8.264 ( 1.994 -2.798 4.551) 5.702 8.336 ( -1.665 2.561 1.791) 3.541 8.349 ( 2.051 1.851 3.604) 4.541 8.521 ( -8.886 5.878 0.432) 10.663 8.554 ( -6.047 3.858 5.835) 9.247 8.596 ( 1.437 3.011 -1.789) 3.785 8.653 ( -2.692 -4.144 -1.083) 5.059 8.682 ( 5.457 -1.883 2.791) 6.411 8.760 ( 2.452 -3.645 -5.300) 6.884 8.917 ( 1.247 7.196 0.037) 7.303 8.956 ( 0.085 4.125 -0.775) 4.198 9.117 ( -0.077 -2.658 -1.448) 3.028 9.189 ( 3.143 -7.558 -5.468) 9.843 9.331 ( -2.118 0.205 0.563) 2.201 9.419 ( 1.357 -6.427 3.005) 7.224 9.522 ( 1.510 -3.406 0.296) 3.738 9.566 ( 4.066 -7.590 -2.575) 8.988 9.698 ( -4.525 1.004 2.895) 5.465 9.729 ( -2.124 -4.954 7.089) 8.906 10.191 ( -2.279 -0.601 0.789) 2.486 10.256 ( -0.618 -5.779 1.134) 5.922 10.396 ( 3.319 1.659 0.129) 3.713 10.436 ( 2.501 -0.602 1.297) 2.881 10.509 ( -3.678 -1.871 -4.361) 6.004 10.570 ( -2.460 -5.362 0.715) 5.942 10.714 ( 3.836 -1.840 -3.580) 5.560 10.733 ( 2.554 -3.456 -2.581) 5.013 11.344 ( -1.478 1.928 0.246) 2.442 11.356 ( 0.999 1.399 -0.849) 1.917 11.450 ( 6.468 4.199 3.080) 8.304 11.465 ( -2.786 4.309 -0.942) 5.217 11.573 ( -5.702 -1.274 -1.257) 5.977 11.597 ( -0.327 -3.795 -1.086) 3.961 11.736 ( 0.641 -0.567 -1.996) 2.172 11.752 ( 1.719 -1.589 -2.486) 3.414 11.976 ( 1.905 5.057 -3.947) 6.692 12.018 ( 2.156 4.585 -2.179) 5.515 12.098 ( 1.436 -0.761 4.110) 4.419 12.116 ( -1.290 -0.590 2.761) 3.104 12.139 ( -2.666 -2.750 -2.315) 4.476 12.202 ( -1.940 -1.154 3.709) 4.342 12.232 ( 2.553 -5.875 -1.809) 6.656 12.257 ( -2.877 -3.631 5.985) 7.568 16.468 ( 0.947 1.985 2.573) 3.384 16.471 ( -2.105 1.734 3.520) 4.453 16.614 ( 2.011 8.392 2.413) 8.961 16.631 ( -2.247 7.922 -0.228) 8.238 16.762 ( 0.495 -4.511 -0.238) 4.544 16.775 ( -1.110 -4.347 -1.748) 4.815 16.823 ( -0.702 1.900 2.220) 3.005 16.885 ( -2.376 -3.415 2.706) 4.963 17.125 ( -3.790 2.133 5.129) 6.724 17.156 ( -4.296 -0.496 4.659) 6.357 17.216 ( -0.251 3.752 0.947) 3.878 17.259 ( -4.309 1.769 -0.609) 4.698 17.277 ( -0.313 -0.890 4.756) 4.849 17.301 ( -3.300 -1.682 2.718) 4.594 17.367 ( -1.888 2.128 4.759) 5.545 17.425 ( -1.812 -2.248 4.918) 5.703 17.610 ( 5.092 2.673 -8.310) 10.106 17.645 ( 4.665 -0.548 -8.330) 9.563 17.742 ( 5.958 5.041 1.688) 7.985 17.748 ( -2.184 4.442 -3.309) 5.954 17.832 ( 2.693 -3.603 1.197) 4.654 17.839 ( -2.176 -3.945 -1.664) 4.803 17.997 ( 2.231 0.431 -4.456) 5.002 18.025 ( 1.890 -2.152 -3.943) 4.874 20.339 ( -0.719 51.437 1.222) 51.456 20.748 ( 10.224 43.003 -5.118) 44.496 20.780 ( -0.717 42.676 -12.710) 44.534 21.087 ( -8.329 10.239 12.666) 18.293 21.471 ( -1.134 -30.119 4.920) 30.539 21.594 ( -2.316 -36.849 -5.286) 37.298 21.622 ( 5.115 -34.594 0.469) 34.974 21.826 ( -4.901 -25.927 8.286) 27.657 28.453 ( 4.927 0.725 -6.796) 8.425 28.462 ( 4.450 -0.156 -7.229) 8.490 28.618 ( 4.634 4.129 1.351) 6.352 28.670 ( -5.955 4.562 -4.566) 8.782 28.709 ( 8.575 -3.987 1.862) 9.638 28.781 ( -4.272 -5.749 -5.600) 9.092 29.027 ( 0.632 9.004 0.289) 9.030 29.166 ( 0.467 3.386 1.444) 3.710 29.213 ( -2.918 -0.729 2.022) 3.624 29.219 ( 0.265 0.163 -1.252) 1.290 29.266 ( 0.168 0.886 5.436) 5.510 29.320 ( -1.870 -2.422 -0.035) 3.060 29.564 ( -1.021 -3.525 -3.118) 4.815 29.647 ( -3.902 -9.190 1.861) 10.156 29.718 ( 1.706 -7.032 1.183) 7.332 29.736 ( -0.102 -7.900 3.641) 8.700 31.629 ( -2.199 1.022 3.475) 4.237 31.674 ( -2.324 -3.376 4.208) 5.874 31.766 ( -1.842 3.647 -2.159) 4.621 31.785 ( 3.257 3.552 0.982) 4.918 31.865 ( -1.806 -5.745 -3.973) 7.214 31.883 ( 3.785 -5.643 -0.537) 6.816 31.925 ( 1.897 4.084 -3.098) 5.466 32.031 ( 1.359 -5.902 -2.029) 6.387 34.648 ( -1.863 4.308 2.248) 5.204 34.690 ( -2.182 0.986 1.745) 2.963 34.730 ( 1.434 6.392 -1.102) 6.643 34.752 ( -0.425 6.425 -1.359) 6.581 34.815 ( 1.013 -2.792 -0.515) 3.014 34.841 ( 0.154 -2.704 0.409) 2.739 34.852 ( -0.697 1.186 1.641) 2.141 34.869 ( -0.751 0.485 2.049) 2.235 ======================= Grid point 108 (50/50) ======================= q-point: (-0.50 0.44 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( -7.891 5.837 -9.042) 13.346 1.748 ( 7.891 5.837 9.042) 13.346 1.963 ( -12.644 -10.879 -1.625) 16.759 1.963 ( 12.644 -10.879 1.625) 16.759 2.480 ( -6.564 8.471 -1.878) 10.880 2.480 ( 6.564 8.471 1.878) 10.880 2.624 ( -2.989 2.327 -0.064) 3.788 2.624 ( 2.989 2.327 0.064) 3.788 2.890 ( 4.126 0.330 -5.926) 7.228 2.890 ( -4.126 0.330 5.926) 7.228 3.103 ( -3.158 -13.112 -11.942) 18.014 3.103 ( 3.158 -13.112 11.942) 18.014 3.248 ( -10.676 7.975 -11.636) 17.691 3.248 ( 10.676 7.975 11.636) 17.691 3.478 ( -16.663 13.107 -9.135) 23.085 3.478 ( 16.663 13.107 9.135) 23.085 3.611 ( 0.578 5.701 -22.699) 23.411 3.611 ( -0.578 5.701 22.699) 23.411 4.032 ( -8.065 -4.901 -2.789) 9.841 4.032 ( 8.065 -4.901 2.789) 9.841 4.288 ( 0.786 -1.786 -14.521) 14.651 4.288 ( -0.786 -1.786 14.521) 14.651 4.496 ( -4.812 2.983 -2.684) 6.266 4.496 ( 4.812 2.983 2.684) 6.266 4.825 ( -3.712 5.040 -9.213) 11.138 4.825 ( 3.712 5.040 9.213) 11.138 4.929 ( -4.348 -4.170 -3.309) 6.874 4.929 ( 4.348 -4.170 3.309) 6.874 5.068 ( -6.088 -2.510 -3.114) 7.284 5.068 ( 6.088 -2.510 3.114) 7.284 5.209 ( -8.451 -8.772 -4.222) 12.891 5.209 ( 8.451 -8.772 4.222) 12.891 5.859 ( 1.090 8.845 -2.564) 9.273 5.859 ( -1.090 8.845 2.564) 9.273 6.026 ( 5.283 1.917 -1.960) 5.952 6.026 ( -5.283 1.917 1.960) 5.952 6.169 ( 0.573 7.813 -3.691) 8.660 6.169 ( -0.573 7.813 3.691) 8.660 6.364 ( -5.226 -4.847 -2.502) 7.554 6.364 ( 5.226 -4.847 2.502) 7.554 6.535 ( 1.899 4.700 -6.875) 8.541 6.535 ( -1.899 4.700 6.875) 8.541 6.604 ( 5.269 4.106 -7.292) 9.889 6.604 ( -5.269 4.106 7.292) 9.889 6.873 ( -4.476 -3.014 -3.996) 6.715 6.873 ( 4.476 -3.014 3.996) 6.715 6.997 ( -8.354 -2.695 -2.125) 9.031 6.997 ( 8.354 -2.695 2.125) 9.031 7.182 ( -4.804 3.175 -4.297) 7.185 7.182 ( 4.804 3.175 4.297) 7.185 7.234 ( -3.961 -1.731 -3.143) 5.345 7.234 ( 3.961 -1.731 3.143) 5.345 7.724 ( -5.917 6.544 -8.787) 12.452 7.724 ( 5.917 6.544 8.787) 12.452 7.764 ( 3.692 6.194 -7.332) 10.284 7.764 ( -3.692 6.194 7.332) 10.284 7.840 ( 6.837 5.015 -3.776) 9.281 7.840 ( -6.837 5.015 3.776) 9.281 7.888 ( 2.011 0.055 -2.732) 3.393 7.888 ( -2.011 0.055 2.732) 3.393 8.014 ( -2.680 -0.451 -10.030) 10.391 8.014 ( 2.680 -0.451 10.030) 10.391 8.406 ( -0.170 1.180 -4.184) 4.350 8.406 ( 0.170 1.180 4.184) 4.350 8.516 ( 0.332 7.699 -3.266) 8.370 8.516 ( -0.332 7.699 3.266) 8.370 8.654 ( 2.543 -1.006 -7.665) 8.138 8.654 ( -2.543 -1.006 7.665) 8.138 8.777 ( -0.016 0.158 -5.223) 5.226 8.777 ( 0.016 0.158 5.223) 5.226 8.886 ( -1.358 2.255 -0.340) 2.654 8.886 ( 1.358 2.255 0.340) 2.654 9.221 ( -0.948 -2.858 -4.436) 5.362 9.221 ( 0.948 -2.858 4.436) 5.362 9.295 ( -9.615 -6.770 -1.044) 11.805 9.295 ( 9.615 -6.770 1.044) 11.805 9.594 ( 1.221 0.071 -3.191) 3.418 9.594 ( -1.221 0.071 3.191) 3.418 9.684 ( 1.810 -6.332 -3.935) 7.672 9.684 ( -1.810 -6.332 3.935) 7.672 10.257 ( -3.697 1.118 -3.929) 5.510 10.257 ( 3.697 1.118 3.929) 5.510 10.412 ( -0.462 -3.020 -5.287) 6.106 10.412 ( 0.462 -3.020 5.287) 6.106 10.505 ( -2.309 -3.740 -0.941) 4.494 10.505 ( 2.309 -3.740 0.941) 4.494 10.748 ( 0.603 -3.169 -0.471) 3.260 10.748 ( -0.603 -3.169 0.471) 3.260 11.336 ( -0.325 3.948 -1.820) 4.359 11.336 ( 0.325 3.948 1.820) 4.359 11.443 ( -3.995 -0.164 -0.805) 4.079 11.443 ( 3.995 -0.164 0.805) 4.079 11.613 ( -1.214 -0.507 -4.450) 4.640 11.613 ( 1.214 -0.507 4.450) 4.640 11.753 ( -1.186 -0.432 -1.967) 2.337 11.753 ( 1.186 -0.432 1.967) 2.337 11.966 ( 2.039 6.192 -3.491) 7.395 11.966 ( -2.039 6.192 3.491) 7.395 12.108 ( 3.753 -3.016 -4.081) 6.312 12.108 ( -3.753 -3.016 4.081) 6.312 12.166 ( 6.148 -1.074 -6.074) 8.709 12.166 ( -6.148 -1.074 6.073) 8.709 12.264 ( 2.208 -4.603 -2.728) 5.788 12.264 ( -2.208 -4.603 2.728) 5.788 16.518 ( -3.455 5.467 -2.563) 6.957 16.518 ( 3.455 5.467 2.563) 6.957 16.579 ( -3.904 2.758 -3.746) 6.074 16.579 ( 3.904 2.758 3.746) 6.074 16.764 ( 0.019 -2.027 -1.384) 2.455 16.764 ( -0.019 -2.027 1.384) 2.455 16.855 ( -2.409 -1.468 -0.038) 2.821 16.855 ( 2.409 -1.468 0.038) 2.821 17.102 ( -0.159 1.637 -1.629) 2.315 17.102 ( 0.159 1.637 1.629) 2.315 17.187 ( 1.558 -0.354 -2.094) 2.634 17.187 ( -1.558 -0.354 2.094) 2.634 17.381 ( 0.297 1.073 -0.779) 1.359 17.381 ( -0.297 1.073 0.779) 1.359 17.461 ( -1.527 1.395 -3.932) 4.443 17.461 ( 1.527 1.395 3.932) 4.443 17.596 ( -0.069 -0.330 -3.810) 3.825 17.596 ( 0.069 -0.330 3.810) 3.825 17.642 ( -2.465 1.153 -1.632) 3.173 17.642 ( 2.465 1.153 1.632) 3.173 17.929 ( -3.094 1.872 -4.890) 6.082 17.929 ( 3.094 1.872 4.890) 6.082 17.982 ( -1.978 -2.970 -4.635) 5.850 17.982 ( 1.978 -2.970 4.635) 5.850 20.463 ( -7.389 49.134 -8.790) 50.458 20.463 ( 7.389 49.134 8.790) 50.458 21.020 ( 14.062 27.538 -10.257) 32.577 21.020 ( -14.062 27.538 10.257) 32.577 21.482 ( -0.093 -37.237 -3.085) 37.364 21.482 ( 0.093 -37.237 3.085) 37.364 21.769 ( 6.084 -29.478 -3.780) 30.336 21.769 ( -6.084 -29.478 3.780) 30.336 28.497 ( 1.080 1.275 -0.696) 1.810 28.497 ( -1.080 1.275 0.696) 1.810 28.530 ( -4.286 -0.262 0.286) 4.303 28.530 ( 4.286 -0.262 -0.286) 4.303 28.883 ( -2.933 3.140 -2.133) 4.797 28.883 ( 2.933 3.140 2.133) 4.797 29.031 ( -8.050 -2.453 -1.000) 8.475 29.031 ( 8.050 -2.453 1.000) 8.475 29.222 ( -2.432 2.567 -1.004) 3.676 29.222 ( 2.432 2.567 1.004) 3.676 29.295 ( -0.524 3.323 -1.726) 3.781 29.295 ( 0.524 3.323 1.726) 3.781 29.572 ( -3.678 -10.711 0.766) 11.350 29.572 ( 3.678 -10.711 -0.766) 11.350 29.756 ( 1.449 -5.768 -1.431) 6.117 29.756 ( -1.449 -5.768 1.431) 6.117 31.671 ( -1.528 1.321 -4.184) 4.646 31.671 ( 1.528 1.321 4.184) 4.646 31.729 ( -1.389 -2.662 -5.290) 6.083 31.729 ( 1.389 -2.662 5.290) 6.083 31.894 ( -1.484 2.869 -3.059) 4.449 31.894 ( 1.484 2.869 3.059) 4.449 31.988 ( -3.065 -5.728 -2.574) 6.988 31.988 ( 3.065 -5.728 2.574) 6.988 34.665 ( -0.881 3.391 -1.633) 3.865 34.665 ( 0.881 3.391 1.633) 3.865 34.724 ( 0.518 4.089 -1.572) 4.412 34.724 ( -0.518 4.089 1.572) 4.412 34.841 ( 1.450 0.624 -1.431) 2.130 34.841 ( -1.450 0.624 1.431) 2.130 34.866 ( 0.952 -0.940 -0.666) 1.494 34.866 ( -0.952 -0.940 0.666) 1.494 =================== 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 3/24192 10.0 71.972 87.679 69.170 0.000 -11.280 0.000 3/24192 20.0 13.931 17.981 13.595 0.000 -0.511 0.000 3/24192 30.0 6.627 9.284 6.714 0.000 0.052 0.000 3/24192 40.0 4.288 6.314 4.435 0.000 0.110 0.000 3/24192 50.0 3.188 4.857 3.328 0.000 0.113 0.000 3/24192 60.0 2.561 4.002 2.683 0.000 0.108 0.000 3/24192 70.0 2.159 3.437 2.264 0.000 0.103 0.000 3/24192 80.0 1.880 3.031 1.970 0.000 0.097 0.000 3/24192 90.0 1.674 2.723 1.752 0.000 0.093 0.000 3/24192 100.0 1.515 2.480 1.584 0.000 0.088 0.000 3/24192 110.0 1.387 2.285 1.449 0.000 0.084 0.000 3/24192 120.0 1.283 2.125 1.338 0.000 0.080 0.000 3/24192 130.0 1.195 1.992 1.245 0.000 0.076 0.000 3/24192 140.0 1.120 1.880 1.166 0.000 0.072 0.000 3/24192 150.0 1.055 1.786 1.098 0.000 0.069 0.000 3/24192 160.0 0.999 1.706 1.039 0.000 0.066 0.000 3/24192 170.0 0.949 1.638 0.987 0.000 0.063 0.000 3/24192 180.0 0.905 1.578 0.940 0.000 0.060 0.000 3/24192 190.0 0.865 1.526 0.899 0.000 0.058 0.000 3/24192 200.0 0.829 1.480 0.861 0.000 0.056 0.000 3/24192 210.0 0.797 1.439 0.827 0.000 0.054 0.000 3/24192 220.0 0.767 1.402 0.796 0.000 0.052 0.000 3/24192 230.0 0.740 1.368 0.768 0.000 0.050 0.000 3/24192 240.0 0.715 1.337 0.742 0.000 0.048 0.000 3/24192 250.0 0.692 1.309 0.718 0.000 0.047 0.000 3/24192 260.0 0.670 1.282 0.695 0.000 0.045 0.000 3/24192 270.0 0.650 1.257 0.674 0.000 0.044 0.000 3/24192 280.0 0.631 1.233 0.655 0.000 0.042 0.000 3/24192 290.0 0.614 1.210 0.636 0.000 0.041 0.000 3/24192 300.0 0.597 1.188 0.619 0.000 0.040 0.000 3/24192 310.0 0.582 1.167 0.603 0.000 0.039 0.000 3/24192 320.0 0.567 1.147 0.587 0.000 0.038 0.000 3/24192 330.0 0.553 1.128 0.573 0.000 0.037 0.000 3/24192 340.0 0.540 1.109 0.559 0.000 0.036 0.000 3/24192 350.0 0.527 1.091 0.546 0.000 0.035 0.000 3/24192 360.0 0.515 1.074 0.533 0.000 0.034 0.000 3/24192 370.0 0.504 1.057 0.522 0.000 0.033 0.000 3/24192 380.0 0.493 1.040 0.510 0.000 0.033 0.000 3/24192 390.0 0.482 1.024 0.499 0.000 0.032 0.000 3/24192 400.0 0.472 1.008 0.489 0.000 0.031 0.000 3/24192 410.0 0.463 0.993 0.479 0.000 0.030 0.000 3/24192 420.0 0.453 0.978 0.469 0.000 0.030 0.000 3/24192 430.0 0.444 0.963 0.460 0.000 0.029 0.000 3/24192 440.0 0.436 0.949 0.451 0.000 0.029 0.000 3/24192 450.0 0.428 0.935 0.443 0.000 0.028 0.000 3/24192 460.0 0.420 0.922 0.434 0.000 0.027 0.000 3/24192 470.0 0.412 0.909 0.426 0.000 0.027 0.000 3/24192 480.0 0.405 0.896 0.419 0.000 0.026 0.000 3/24192 490.0 0.398 0.883 0.411 0.000 0.026 0.000 3/24192 500.0 0.391 0.871 0.404 0.000 0.025 0.000 3/24192 510.0 0.384 0.859 0.397 0.000 0.025 0.000 3/24192 520.0 0.378 0.847 0.391 0.000 0.025 0.000 3/24192 530.0 0.372 0.836 0.384 0.000 0.024 0.000 3/24192 540.0 0.366 0.824 0.378 0.000 0.024 0.000 3/24192 550.0 0.360 0.814 0.372 0.000 0.023 0.000 3/24192 560.0 0.354 0.803 0.366 0.000 0.023 0.000 3/24192 570.0 0.349 0.792 0.361 0.000 0.023 0.000 3/24192 580.0 0.343 0.782 0.355 0.000 0.022 0.000 3/24192 590.0 0.338 0.772 0.350 0.000 0.022 0.000 3/24192 600.0 0.333 0.762 0.344 0.000 0.022 0.000 3/24192 610.0 0.328 0.753 0.339 0.000 0.021 0.000 3/24192 620.0 0.323 0.743 0.334 0.000 0.021 0.000 3/24192 630.0 0.319 0.734 0.330 0.000 0.021 0.000 3/24192 640.0 0.314 0.725 0.325 0.000 0.020 0.000 3/24192 650.0 0.310 0.716 0.321 0.000 0.020 0.000 3/24192 660.0 0.306 0.708 0.316 0.000 0.020 0.000 3/24192 670.0 0.302 0.699 0.312 0.000 0.019 0.000 3/24192 680.0 0.298 0.691 0.308 0.000 0.019 0.000 3/24192 690.0 0.294 0.683 0.304 0.000 0.019 0.000 3/24192 700.0 0.290 0.675 0.300 0.000 0.019 0.000 3/24192 710.0 0.286 0.667 0.296 0.000 0.018 0.000 3/24192 720.0 0.282 0.660 0.292 0.000 0.018 0.000 3/24192 730.0 0.279 0.652 0.288 0.000 0.018 0.000 3/24192 740.0 0.275 0.645 0.285 0.000 0.018 0.000 3/24192 750.0 0.272 0.638 0.281 0.000 0.017 0.000 3/24192 760.0 0.269 0.631 0.278 0.000 0.017 0.000 3/24192 770.0 0.266 0.624 0.275 0.000 0.017 0.000 3/24192 780.0 0.262 0.617 0.271 0.000 0.017 0.000 3/24192 790.0 0.259 0.611 0.268 0.000 0.017 0.000 3/24192 800.0 0.256 0.604 0.265 0.000 0.016 0.000 3/24192 810.0 0.253 0.598 0.262 0.000 0.016 0.000 3/24192 820.0 0.250 0.592 0.259 0.000 0.016 0.000 3/24192 830.0 0.248 0.586 0.256 0.000 0.016 0.000 3/24192 840.0 0.245 0.580 0.253 0.000 0.016 0.000 3/24192 850.0 0.242 0.574 0.250 0.000 0.015 0.000 3/24192 860.0 0.240 0.568 0.248 0.000 0.015 0.000 3/24192 870.0 0.237 0.562 0.245 0.000 0.015 0.000 3/24192 880.0 0.234 0.557 0.242 0.000 0.015 0.000 3/24192 890.0 0.232 0.551 0.240 0.000 0.015 0.000 3/24192 900.0 0.230 0.546 0.237 0.000 0.015 0.000 3/24192 910.0 0.227 0.541 0.235 0.000 0.014 0.000 3/24192 920.0 0.225 0.535 0.232 0.000 0.014 0.000 3/24192 930.0 0.223 0.530 0.230 0.000 0.014 0.000 3/24192 940.0 0.220 0.525 0.228 0.000 0.014 0.000 3/24192 950.0 0.218 0.520 0.226 0.000 0.014 0.000 3/24192 960.0 0.216 0.516 0.223 0.000 0.014 0.000 3/24192 970.0 0.214 0.511 0.221 0.000 0.014 0.000 3/24192 980.0 0.212 0.506 0.219 0.000 0.013 0.000 3/24192 990.0 0.210 0.502 0.217 0.000 0.013 0.000 3/24192 1000.0 0.208 0.497 0.215 0.000 0.013 0.000 3/24192 Thermal conductivity related properties were written into "kappa-m494.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 11:09:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|