----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 18:30:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.934955270101715 0.000000000000000 0.000000000000000 b 0.000000000000000 11.501064980000001 0.000000000000000 c -6.530018519793094 0.000000000000000 7.824848383268685 Atomic positions (fractional): *1 P 0.21736849053013 0.21871806389101 0.25189809732165 30.974 2 P 0.78263150946987 0.71871806389101 0.24810190267835 30.974 3 P 0.78263150946987 0.78128193610899 0.74810190267835 30.974 4 P 0.21736849053013 0.28128193610899 0.75189809732165 30.974 *5 P 0.80697756410464 0.46762503623281 0.40645139622166 30.974 6 P 0.19302243589536 0.96762503623281 0.09354860377834 30.974 7 P 0.19302243589536 0.53237496376719 0.59354860377834 30.974 8 P 0.80697756410464 0.03237496376719 0.90645139622166 30.974 *9 P 0.86338905502558 0.11615711484115 0.73778946115501 30.974 10 P 0.13661094497442 0.61615711484115 0.76221053884499 30.974 11 P 0.13661094497442 0.88384288515885 0.26221053884499 30.974 12 P 0.86338905502558 0.38384288515885 0.23778946115501 30.974 *13 P 0.20397332587054 0.33574073381762 0.95519157420725 30.974 14 P 0.79602667412946 0.83574073381762 0.54480842579275 30.974 15 P 0.79602667412946 0.66425926618238 0.04480842579275 30.974 16 P 0.20397332587054 0.16425926618238 0.45519157420725 30.974 *17 P 0.24174057505159 0.09676941556260 0.82470694098670 30.974 18 P 0.75825942494841 0.59676941556260 0.67529305901330 30.974 19 P 0.75825942494841 0.90323058443740 0.17529305901330 30.974 20 P 0.24174057505159 0.40323058443740 0.32470694098670 30.974 *21 P 0.33996245918308 0.51296607920328 0.99654754868723 30.974 22 P 0.66003754081692 0.01296607920328 0.50345245131277 30.974 23 P 0.66003754081692 0.48703392079672 0.00345245131277 30.974 24 P 0.33996245918308 0.98703392079672 0.49654754868723 30.974 *25 P 0.80925702018762 0.30956574300245 0.52758027040536 30.974 26 P 0.19074297981238 0.80956574300245 0.97241972959464 30.974 27 P 0.19074297981238 0.69043425699755 0.47241972959464 30.974 28 P 0.80925702018762 0.19043425699755 0.02758027040536 30.974 *29 La 0.61502811422279 0.34918333673103 0.71799768553481 138.905 30 La 0.38497188577721 0.84918333673103 0.78200231446519 138.905 31 La 0.38497188577721 0.65081666326897 0.28200231446519 138.905 32 La 0.61502811422279 0.15081666326897 0.21799768553481 138.905 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.934955270101715 0.000000000000000 0.000000000000000 b 0.000000000000000 11.501064980000001 0.000000000000000 c -6.530018519793094 0.000000000000000 7.824848383268685 Atomic positions (fractional): *1 P 0.21736849053013 0.21871806389101 0.25189809732165 30.974 > 1 2 P 0.78263150946987 0.71871806389101 0.24810190267835 30.974 > 2 3 P 0.78263150946987 0.78128193610899 0.74810190267835 30.974 > 3 4 P 0.21736849053013 0.28128193610899 0.75189809732165 30.974 > 4 *5 P 0.80697756410464 0.46762503623281 0.40645139622166 30.974 > 5 6 P 0.19302243589536 0.96762503623281 0.09354860377834 30.974 > 6 7 P 0.19302243589536 0.53237496376719 0.59354860377834 30.974 > 7 8 P 0.80697756410464 0.03237496376719 0.90645139622166 30.974 > 8 *9 P 0.86338905502558 0.11615711484115 0.73778946115501 30.974 > 9 10 P 0.13661094497442 0.61615711484115 0.76221053884499 30.974 > 10 11 P 0.13661094497442 0.88384288515885 0.26221053884499 30.974 > 11 12 P 0.86338905502558 0.38384288515885 0.23778946115501 30.974 > 12 *13 P 0.20397332587054 0.33574073381762 0.95519157420725 30.974 > 13 14 P 0.79602667412946 0.83574073381762 0.54480842579275 30.974 > 14 15 P 0.79602667412946 0.66425926618238 0.04480842579275 30.974 > 15 16 P 0.20397332587054 0.16425926618238 0.45519157420725 30.974 > 16 *17 P 0.24174057505159 0.09676941556260 0.82470694098670 30.974 > 17 18 P 0.75825942494841 0.59676941556260 0.67529305901330 30.974 > 18 19 P 0.75825942494841 0.90323058443740 0.17529305901330 30.974 > 19 20 P 0.24174057505159 0.40323058443740 0.32470694098670 30.974 > 20 *21 P 0.33996245918308 0.51296607920328 0.99654754868723 30.974 > 21 22 P 0.66003754081692 0.01296607920328 0.50345245131277 30.974 > 22 23 P 0.66003754081692 0.48703392079672 0.00345245131277 30.974 > 23 24 P 0.33996245918308 0.98703392079672 0.49654754868723 30.974 > 24 *25 P 0.80925702018762 0.30956574300245 0.52758027040536 30.974 > 25 26 P 0.19074297981238 0.80956574300245 0.97241972959464 30.974 > 26 27 P 0.19074297981238 0.69043425699755 0.47241972959464 30.974 > 27 28 P 0.80925702018762 0.19043425699755 0.02758027040536 30.974 > 28 *29 La 0.61502811422279 0.34918333673103 0.71799768553481 138.905 > 29 30 La 0.38497188577721 0.84918333673103 0.78200231446519 138.905 > 30 31 La 0.38497188577721 0.65081666326897 0.28200231446519 138.905 > 31 32 La 0.61502811422279 0.15081666326897 0.21799768553481 138.905 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.869910540203430 0.000000000000000 0.000000000000000 b 0.000000000000000 11.501064980000001 0.000000000000000 c -13.060037039586188 0.000000000000000 15.649696766537369 Atomic positions (fractional): *1 P 0.10868424526506 0.21871806389101 0.12594904866083 30.974 > 1 2 P 0.60868424526506 0.21871806389101 0.12594904866083 30.974 > 1 3 P 0.10868424526506 0.21871806389101 0.62594904866083 30.974 > 1 4 P 0.60868424526506 0.21871806389101 0.62594904866083 30.974 > 1 5 P 0.39131575473494 0.71871806389101 0.12405095133918 30.974 > 2 6 P 0.89131575473494 0.71871806389101 0.12405095133918 30.974 > 2 7 P 0.39131575473494 0.71871806389101 0.62405095133917 30.974 > 2 8 P 0.89131575473494 0.71871806389101 0.62405095133917 30.974 > 2 9 P 0.39131575473494 0.78128193610899 0.37405095133917 30.974 > 3 10 P 0.89131575473494 0.78128193610899 0.37405095133917 30.974 > 3 11 P 0.39131575473494 0.78128193610899 0.87405095133917 30.974 > 3 12 P 0.89131575473494 0.78128193610899 0.87405095133917 30.974 > 3 13 P 0.10868424526506 0.28128193610899 0.37594904866083 30.974 > 4 14 P 0.60868424526506 0.28128193610899 0.37594904866083 30.974 > 4 15 P 0.10868424526506 0.28128193610899 0.87594904866083 30.974 > 4 16 P 0.60868424526506 0.28128193610899 0.87594904866083 30.974 > 4 *17 P 0.40348878205232 0.46762503623281 0.20322569811083 30.974 > 5 18 P 0.90348878205232 0.46762503623281 0.20322569811083 30.974 > 5 19 P 0.40348878205232 0.46762503623281 0.70322569811083 30.974 > 5 20 P 0.90348878205232 0.46762503623281 0.70322569811083 30.974 > 5 21 P 0.09651121794768 0.96762503623281 0.04677430188917 30.974 > 6 22 P 0.59651121794768 0.96762503623281 0.04677430188917 30.974 > 6 23 P 0.09651121794768 0.96762503623281 0.54677430188917 30.974 > 6 24 P 0.59651121794768 0.96762503623281 0.54677430188917 30.974 > 6 25 P 0.09651121794768 0.53237496376719 0.29677430188917 30.974 > 7 26 P 0.59651121794768 0.53237496376719 0.29677430188917 30.974 > 7 27 P 0.09651121794768 0.53237496376719 0.79677430188917 30.974 > 7 28 P 0.59651121794768 0.53237496376719 0.79677430188917 30.974 > 7 29 P 0.40348878205232 0.03237496376719 0.45322569811083 30.974 > 8 30 P 0.90348878205232 0.03237496376719 0.45322569811083 30.974 > 8 31 P 0.40348878205232 0.03237496376719 0.95322569811083 30.974 > 8 32 P 0.90348878205232 0.03237496376719 0.95322569811083 30.974 > 8 *33 P 0.43169452751279 0.11615711484115 0.36889473057750 30.974 > 9 34 P 0.93169452751279 0.11615711484115 0.36889473057750 30.974 > 9 35 P 0.43169452751279 0.11615711484115 0.86889473057750 30.974 > 9 36 P 0.93169452751279 0.11615711484115 0.86889473057750 30.974 > 9 37 P 0.06830547248721 0.61615711484115 0.38110526942250 30.974 > 10 38 P 0.56830547248721 0.61615711484115 0.38110526942250 30.974 > 10 39 P 0.06830547248721 0.61615711484115 0.88110526942250 30.974 > 10 40 P 0.56830547248721 0.61615711484115 0.88110526942250 30.974 > 10 41 P 0.06830547248721 0.88384288515885 0.13110526942250 30.974 > 11 42 P 0.56830547248721 0.88384288515885 0.13110526942250 30.974 > 11 43 P 0.06830547248721 0.88384288515885 0.63110526942250 30.974 > 11 44 P 0.56830547248721 0.88384288515885 0.63110526942250 30.974 > 11 45 P 0.43169452751279 0.38384288515885 0.11889473057751 30.974 > 12 46 P 0.93169452751279 0.38384288515885 0.11889473057751 30.974 > 12 47 P 0.43169452751279 0.38384288515885 0.61889473057751 30.974 > 12 48 P 0.93169452751279 0.38384288515885 0.61889473057751 30.974 > 12 *49 P 0.10198666293527 0.33574073381762 0.47759578710363 30.974 > 13 50 P 0.60198666293527 0.33574073381762 0.47759578710363 30.974 > 13 51 P 0.10198666293527 0.33574073381762 0.97759578710363 30.974 > 13 52 P 0.60198666293527 0.33574073381762 0.97759578710363 30.974 > 13 53 P 0.39801333706473 0.83574073381762 0.27240421289637 30.974 > 14 54 P 0.89801333706473 0.83574073381762 0.27240421289637 30.974 > 14 55 P 0.39801333706473 0.83574073381762 0.77240421289637 30.974 > 14 56 P 0.89801333706473 0.83574073381762 0.77240421289637 30.974 > 14 57 P 0.39801333706473 0.66425926618238 0.02240421289637 30.974 > 15 58 P 0.89801333706473 0.66425926618238 0.02240421289637 30.974 > 15 59 P 0.39801333706473 0.66425926618238 0.52240421289637 30.974 > 15 60 P 0.89801333706473 0.66425926618238 0.52240421289637 30.974 > 15 61 P 0.10198666293527 0.16425926618238 0.22759578710363 30.974 > 16 62 P 0.60198666293527 0.16425926618238 0.22759578710363 30.974 > 16 63 P 0.10198666293527 0.16425926618238 0.72759578710363 30.974 > 16 64 P 0.60198666293527 0.16425926618238 0.72759578710363 30.974 > 16 *65 P 0.12087028752579 0.09676941556260 0.41235347049335 30.974 > 17 66 P 0.62087028752579 0.09676941556260 0.41235347049335 30.974 > 17 67 P 0.12087028752579 0.09676941556260 0.91235347049335 30.974 > 17 68 P 0.62087028752579 0.09676941556260 0.91235347049335 30.974 > 17 69 P 0.37912971247421 0.59676941556260 0.33764652950665 30.974 > 18 70 P 0.87912971247421 0.59676941556260 0.33764652950665 30.974 > 18 71 P 0.37912971247421 0.59676941556260 0.83764652950665 30.974 > 18 72 P 0.87912971247421 0.59676941556260 0.83764652950665 30.974 > 18 73 P 0.37912971247421 0.90323058443740 0.08764652950665 30.974 > 19 74 P 0.87912971247421 0.90323058443740 0.08764652950665 30.974 > 19 75 P 0.37912971247421 0.90323058443740 0.58764652950665 30.974 > 19 76 P 0.87912971247421 0.90323058443740 0.58764652950665 30.974 > 19 77 P 0.12087028752579 0.40323058443740 0.16235347049335 30.974 > 20 78 P 0.62087028752579 0.40323058443740 0.16235347049335 30.974 > 20 79 P 0.12087028752579 0.40323058443740 0.66235347049335 30.974 > 20 80 P 0.62087028752579 0.40323058443740 0.66235347049335 30.974 > 20 *81 P 0.16998122959154 0.51296607920328 0.49827377434362 30.974 > 21 82 P 0.66998122959154 0.51296607920328 0.49827377434362 30.974 > 21 83 P 0.16998122959154 0.51296607920328 0.99827377434362 30.974 > 21 84 P 0.66998122959154 0.51296607920328 0.99827377434362 30.974 > 21 85 P 0.33001877040846 0.01296607920328 0.25172622565638 30.974 > 22 86 P 0.83001877040846 0.01296607920328 0.25172622565638 30.974 > 22 87 P 0.33001877040846 0.01296607920328 0.75172622565638 30.974 > 22 88 P 0.83001877040846 0.01296607920328 0.75172622565638 30.974 > 22 89 P 0.33001877040846 0.48703392079672 0.00172622565638 30.974 > 23 90 P 0.83001877040846 0.48703392079672 0.00172622565638 30.974 > 23 91 P 0.33001877040846 0.48703392079672 0.50172622565638 30.974 > 23 92 P 0.83001877040846 0.48703392079672 0.50172622565638 30.974 > 23 93 P 0.16998122959154 0.98703392079672 0.24827377434362 30.974 > 24 94 P 0.66998122959154 0.98703392079672 0.24827377434362 30.974 > 24 95 P 0.16998122959154 0.98703392079672 0.74827377434362 30.974 > 24 96 P 0.66998122959154 0.98703392079672 0.74827377434362 30.974 > 24 *97 P 0.40462851009381 0.30956574300245 0.26379013520268 30.974 > 25 98 P 0.90462851009381 0.30956574300245 0.26379013520268 30.974 > 25 99 P 0.40462851009381 0.30956574300245 0.76379013520268 30.974 > 25 100 P 0.90462851009381 0.30956574300245 0.76379013520268 30.974 > 25 101 P 0.09537148990619 0.80956574300245 0.48620986479732 30.974 > 26 102 P 0.59537148990619 0.80956574300245 0.48620986479732 30.974 > 26 103 P 0.09537148990619 0.80956574300245 0.98620986479732 30.974 > 26 104 P 0.59537148990619 0.80956574300245 0.98620986479732 30.974 > 26 105 P 0.09537148990619 0.69043425699755 0.23620986479732 30.974 > 27 106 P 0.59537148990619 0.69043425699755 0.23620986479732 30.974 > 27 107 P 0.09537148990619 0.69043425699755 0.73620986479732 30.974 > 27 108 P 0.59537148990619 0.69043425699755 0.73620986479732 30.974 > 27 109 P 0.40462851009381 0.19043425699755 0.01379013520268 30.974 > 28 110 P 0.90462851009381 0.19043425699755 0.01379013520268 30.974 > 28 111 P 0.40462851009381 0.19043425699755 0.51379013520268 30.974 > 28 112 P 0.90462851009381 0.19043425699755 0.51379013520268 30.974 > 28 *113 La 0.30751405711140 0.34918333673103 0.35899884276741 138.905 > 29 114 La 0.80751405711140 0.34918333673103 0.35899884276741 138.905 > 29 115 La 0.30751405711140 0.34918333673103 0.85899884276741 138.905 > 29 116 La 0.80751405711140 0.34918333673103 0.85899884276741 138.905 > 29 117 La 0.19248594288860 0.84918333673103 0.39100115723259 138.905 > 30 118 La 0.69248594288860 0.84918333673103 0.39100115723259 138.905 > 30 119 La 0.19248594288860 0.84918333673103 0.89100115723259 138.905 > 30 120 La 0.69248594288860 0.84918333673103 0.89100115723259 138.905 > 30 121 La 0.19248594288860 0.65081666326897 0.14100115723259 138.905 > 31 122 La 0.69248594288860 0.65081666326897 0.14100115723259 138.905 > 31 123 La 0.19248594288860 0.65081666326897 0.64100115723259 138.905 > 31 124 La 0.69248594288860 0.65081666326897 0.64100115723259 138.905 > 31 125 La 0.30751405711140 0.15081666326897 0.10899884276741 138.905 > 32 126 La 0.80751405711140 0.15081666326897 0.10899884276741 138.905 > 32 127 La 0.30751405711140 0.15081666326897 0.60899884276741 138.905 > 32 128 La 0.80751405711140 0.15081666326897 0.60899884276741 138.905 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 15.8510580 0.0000000 0.3043741 0.0000000 17.1285666 0.0000000 0.3044242 0.0000000 17.0332788 -------------------------- Born effective charges -------------------------- 1 P -0.4576095 0.4688419 0.2900557 0.3446855 0.4600505 -0.0575757 0.0889141 -0.0267975 1.5848535 2 P -0.4576095 -0.4688419 0.2900557 -0.3446855 0.4600505 0.0575757 0.0889141 0.0267975 1.5848535 3 P -0.4576095 0.4688419 0.2900557 0.3446855 0.4600505 -0.0575757 0.0889141 -0.0267975 1.5848535 4 P -0.4576095 -0.4688419 0.2900557 -0.3446855 0.4600505 0.0575757 0.0889141 0.0267975 1.5848535 5 P -0.0830317 0.5485829 -0.4699879 0.4988765 -0.1722414 0.1705025 -0.1754566 -0.1694427 0.0757712 6 P -0.0830317 -0.5485829 -0.4699879 -0.4988765 -0.1722414 -0.1705025 -0.1754566 0.1694427 0.0757712 7 P -0.0830317 0.5485829 -0.4699879 0.4988765 -0.1722414 0.1705025 -0.1754566 -0.1694427 0.0757712 8 P -0.0830317 -0.5485829 -0.4699879 -0.4988765 -0.1722414 -0.1705025 -0.1754566 0.1694427 0.0757712 9 P 0.3625478 0.6916453 0.2446860 0.6412990 -0.4737644 0.0798155 0.2927708 0.1084147 0.3469355 10 P 0.3625478 -0.6916453 0.2446860 -0.6412990 -0.4737644 -0.0798155 0.2927708 -0.1084147 0.3469355 11 P 0.3625478 0.6916453 0.2446860 0.6412990 -0.4737644 0.0798155 0.2927708 0.1084147 0.3469355 12 P 0.3625478 -0.6916453 0.2446860 -0.6412990 -0.4737644 -0.0798155 0.2927708 -0.1084147 0.3469355 13 P -1.2402377 -0.0353967 -0.5884817 0.2103576 -0.9158705 0.4483463 -0.2419246 0.2453444 -1.3422398 14 P -1.2402377 0.0353967 -0.5884817 -0.2103576 -0.9158705 -0.4483463 -0.2419246 -0.2453444 -1.3422398 15 P -1.2402377 -0.0353967 -0.5884817 0.2103576 -0.9158705 0.4483463 -0.2419246 0.2453444 -1.3422398 16 P -1.2402377 0.0353967 -0.5884817 -0.2103576 -0.9158705 -0.4483463 -0.2419246 -0.2453444 -1.3422398 17 P -0.9989296 -0.0577152 -0.1540034 0.3600026 -1.4666724 -0.4682201 -0.0138911 0.2088483 -1.5031618 18 P -0.9989296 0.0577152 -0.1540034 -0.3600026 -1.4666724 0.4682201 -0.0138911 -0.2088483 -1.5031618 19 P -0.9989296 -0.0577152 -0.1540034 0.3600026 -1.4666724 -0.4682201 -0.0138911 0.2088483 -1.5031618 20 P -0.9989296 0.0577152 -0.1540034 -0.3600026 -1.4666724 0.4682201 -0.0138911 -0.2088483 -1.5031618 21 P -0.3758207 0.6087625 0.7658147 0.3780169 0.4323736 -0.2091727 0.1724166 0.1464847 -0.0760508 22 P -0.3758207 -0.6087625 0.7658147 -0.3780169 0.4323736 0.2091727 0.1724166 -0.1464847 -0.0760508 23 P -0.3758207 0.6087625 0.7658147 0.3780169 0.4323736 -0.2091727 0.1724166 0.1464847 -0.0760508 24 P -0.3758207 -0.6087625 0.7658147 -0.3780169 0.4323736 0.2091727 0.1724166 -0.1464847 -0.0760508 25 P -1.1024376 0.1137272 -0.0095969 0.3014049 -0.9497283 -0.3788746 0.0742502 -0.4812719 -1.7397648 26 P -1.1024376 -0.1137272 -0.0095969 -0.3014049 -0.9497283 0.3788746 0.0742502 0.4812719 -1.7397648 27 P -1.1024376 0.1137272 -0.0095969 0.3014049 -0.9497283 -0.3788746 0.0742502 -0.4812719 -1.7397648 28 P -1.1024376 -0.1137272 -0.0095969 -0.3014049 -0.9497283 0.3788746 0.0742502 0.4812719 -1.7397648 29 La 3.8955189 -0.7873683 -0.0784864 -0.0705943 3.0858529 -0.3916205 -0.1970796 -0.1929539 2.6536569 30 La 3.8955189 0.7873683 -0.0784864 0.0705943 3.0858529 0.3916205 -0.1970796 0.1929539 2.6536569 31 La 3.8955189 -0.7873683 -0.0784864 -0.0705943 3.0858529 -0.3916205 -0.1970796 -0.1929539 2.6536569 32 La 3.8955189 0.7873683 -0.0784864 0.0705943 3.0858529 0.3916205 -0.1970796 0.1929539 2.6536569 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4752 Number of blocks in projector: 4752 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: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 261 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 261 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4752, 4681), data: False |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1024, 1008), data: False |-- (1024, 14), data: (1024, 30) @ (30, 14) |-- (524, 510), data: False |-- (524, 11), data: (524, 25) @ (25, 11) |-- (274, 261), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 14), data: (1024, 30) @ (30, 14) |-- (524, 510), data: False |-- (524, 11), data: (524, 25) @ (25, 11) |-- (274, 261), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 960 - Time: 1.406 Solver_block: 200 / 960 - Time: 1.248 Solver_block: 300 / 960 - Time: 1.240 Solver_block: 400 / 960 - Time: 1.251 Solver_block: 500 / 960 - Time: 1.243 Solver_block: 600 / 960 - Time: 1.252 Solver_block: 700 / 960 - Time: 1.250 Solver_block: 800 / 960 - Time: 1.259 Solver_block: 900 / 960 - Time: 1.275 Solver_block: 960 / 960 - Time: 0.846 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 12.599 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4752 Number of blocks in projector: 4752 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: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 261 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 261 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4752, 4681), data: False |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1024, 1008), data: False |-- (1024, 14), data: (1024, 30) @ (30, 14) |-- (524, 510), data: False |-- (524, 11), data: (524, 25) @ (25, 11) |-- (274, 261), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 14), data: (1024, 30) @ (30, 14) |-- (524, 510), data: False |-- (524, 11), data: (524, 25) @ (25, 11) |-- (274, 261), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) 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 2026-01-07 18:31:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:31:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.934955270101715 0.000000000000000 0.000000000000000 b 0.000000000000000 11.501064980000001 0.000000000000000 c -6.530018519793094 0.000000000000000 7.824848383268685 Atomic positions (fractional): 1 P 0.21736849053013 0.21871806389101 0.25189809732165 30.974 2 P 0.78263150946987 0.71871806389101 0.24810190267835 30.974 3 P 0.78263150946987 0.78128193610899 0.74810190267835 30.974 4 P 0.21736849053013 0.28128193610899 0.75189809732165 30.974 5 P 0.80697756410464 0.46762503623281 0.40645139622166 30.974 6 P 0.19302243589536 0.96762503623281 0.09354860377834 30.974 7 P 0.19302243589536 0.53237496376719 0.59354860377834 30.974 8 P 0.80697756410464 0.03237496376719 0.90645139622166 30.974 9 P 0.86338905502558 0.11615711484115 0.73778946115501 30.974 10 P 0.13661094497442 0.61615711484115 0.76221053884499 30.974 11 P 0.13661094497442 0.88384288515885 0.26221053884499 30.974 12 P 0.86338905502558 0.38384288515885 0.23778946115501 30.974 13 P 0.20397332587054 0.33574073381762 0.95519157420725 30.974 14 P 0.79602667412946 0.83574073381762 0.54480842579275 30.974 15 P 0.79602667412946 0.66425926618238 0.04480842579275 30.974 16 P 0.20397332587054 0.16425926618238 0.45519157420725 30.974 17 P 0.24174057505159 0.09676941556260 0.82470694098670 30.974 18 P 0.75825942494841 0.59676941556260 0.67529305901330 30.974 19 P 0.75825942494841 0.90323058443740 0.17529305901330 30.974 20 P 0.24174057505159 0.40323058443740 0.32470694098670 30.974 21 P 0.33996245918308 0.51296607920328 0.99654754868723 30.974 22 P 0.66003754081692 0.01296607920328 0.50345245131277 30.974 23 P 0.66003754081692 0.48703392079672 0.00345245131277 30.974 24 P 0.33996245918308 0.98703392079672 0.49654754868723 30.974 25 P 0.80925702018762 0.30956574300245 0.52758027040536 30.974 26 P 0.19074297981238 0.80956574300245 0.97241972959464 30.974 27 P 0.19074297981238 0.69043425699755 0.47241972959464 30.974 28 P 0.80925702018762 0.19043425699755 0.02758027040536 30.974 29 La 0.61502811422279 0.34918333673103 0.71799768553481 138.905 30 La 0.38497188577721 0.84918333673103 0.78200231446519 138.905 31 La 0.38497188577721 0.65081666326897 0.28200231446519 138.905 32 La 0.61502811422279 0.15081666326897 0.21799768553481 138.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.869910540203430 0.000000000000000 0.000000000000000 b 0.000000000000000 11.501064980000001 0.000000000000000 c -13.060037039586188 0.000000000000000 15.649696766537369 Atomic positions (fractional): 1 P 0.10868424526506 0.21871806389101 0.12594904866083 30.974 > 1 2 P 0.60868424526506 0.21871806389101 0.12594904866083 30.974 > 1 3 P 0.10868424526506 0.21871806389101 0.62594904866083 30.974 > 1 4 P 0.60868424526506 0.21871806389101 0.62594904866083 30.974 > 1 5 P 0.39131575473494 0.71871806389101 0.12405095133918 30.974 > 5 6 P 0.89131575473494 0.71871806389101 0.12405095133918 30.974 > 5 7 P 0.39131575473494 0.71871806389101 0.62405095133917 30.974 > 5 8 P 0.89131575473494 0.71871806389101 0.62405095133917 30.974 > 5 9 P 0.39131575473494 0.78128193610899 0.37405095133917 30.974 > 9 10 P 0.89131575473494 0.78128193610899 0.37405095133917 30.974 > 9 11 P 0.39131575473494 0.78128193610899 0.87405095133917 30.974 > 9 12 P 0.89131575473494 0.78128193610899 0.87405095133917 30.974 > 9 13 P 0.10868424526506 0.28128193610899 0.37594904866083 30.974 > 13 14 P 0.60868424526506 0.28128193610899 0.37594904866083 30.974 > 13 15 P 0.10868424526506 0.28128193610899 0.87594904866083 30.974 > 13 16 P 0.60868424526506 0.28128193610899 0.87594904866083 30.974 > 13 17 P 0.40348878205232 0.46762503623281 0.20322569811083 30.974 > 17 18 P 0.90348878205232 0.46762503623281 0.20322569811083 30.974 > 17 19 P 0.40348878205232 0.46762503623281 0.70322569811083 30.974 > 17 20 P 0.90348878205232 0.46762503623281 0.70322569811083 30.974 > 17 21 P 0.09651121794768 0.96762503623281 0.04677430188917 30.974 > 21 22 P 0.59651121794768 0.96762503623281 0.04677430188917 30.974 > 21 23 P 0.09651121794768 0.96762503623281 0.54677430188917 30.974 > 21 24 P 0.59651121794768 0.96762503623281 0.54677430188917 30.974 > 21 25 P 0.09651121794768 0.53237496376719 0.29677430188917 30.974 > 25 26 P 0.59651121794768 0.53237496376719 0.29677430188917 30.974 > 25 27 P 0.09651121794768 0.53237496376719 0.79677430188917 30.974 > 25 28 P 0.59651121794768 0.53237496376719 0.79677430188917 30.974 > 25 29 P 0.40348878205232 0.03237496376719 0.45322569811083 30.974 > 29 30 P 0.90348878205232 0.03237496376719 0.45322569811083 30.974 > 29 31 P 0.40348878205232 0.03237496376719 0.95322569811083 30.974 > 29 32 P 0.90348878205232 0.03237496376719 0.95322569811083 30.974 > 29 33 P 0.43169452751279 0.11615711484115 0.36889473057750 30.974 > 33 34 P 0.93169452751279 0.11615711484115 0.36889473057750 30.974 > 33 35 P 0.43169452751279 0.11615711484115 0.86889473057750 30.974 > 33 36 P 0.93169452751279 0.11615711484115 0.86889473057750 30.974 > 33 37 P 0.06830547248721 0.61615711484115 0.38110526942250 30.974 > 37 38 P 0.56830547248721 0.61615711484115 0.38110526942250 30.974 > 37 39 P 0.06830547248721 0.61615711484115 0.88110526942250 30.974 > 37 40 P 0.56830547248721 0.61615711484115 0.88110526942250 30.974 > 37 41 P 0.06830547248721 0.88384288515885 0.13110526942250 30.974 > 41 42 P 0.56830547248721 0.88384288515885 0.13110526942250 30.974 > 41 43 P 0.06830547248721 0.88384288515885 0.63110526942250 30.974 > 41 44 P 0.56830547248721 0.88384288515885 0.63110526942250 30.974 > 41 45 P 0.43169452751279 0.38384288515885 0.11889473057751 30.974 > 45 46 P 0.93169452751279 0.38384288515885 0.11889473057751 30.974 > 45 47 P 0.43169452751279 0.38384288515885 0.61889473057751 30.974 > 45 48 P 0.93169452751279 0.38384288515885 0.61889473057751 30.974 > 45 49 P 0.10198666293527 0.33574073381762 0.47759578710363 30.974 > 49 50 P 0.60198666293527 0.33574073381762 0.47759578710363 30.974 > 49 51 P 0.10198666293527 0.33574073381762 0.97759578710363 30.974 > 49 52 P 0.60198666293527 0.33574073381762 0.97759578710363 30.974 > 49 53 P 0.39801333706473 0.83574073381762 0.27240421289637 30.974 > 53 54 P 0.89801333706473 0.83574073381762 0.27240421289637 30.974 > 53 55 P 0.39801333706473 0.83574073381762 0.77240421289637 30.974 > 53 56 P 0.89801333706473 0.83574073381762 0.77240421289637 30.974 > 53 57 P 0.39801333706473 0.66425926618238 0.02240421289637 30.974 > 57 58 P 0.89801333706473 0.66425926618238 0.02240421289637 30.974 > 57 59 P 0.39801333706473 0.66425926618238 0.52240421289637 30.974 > 57 60 P 0.89801333706473 0.66425926618238 0.52240421289637 30.974 > 57 61 P 0.10198666293527 0.16425926618238 0.22759578710363 30.974 > 61 62 P 0.60198666293527 0.16425926618238 0.22759578710363 30.974 > 61 63 P 0.10198666293527 0.16425926618238 0.72759578710363 30.974 > 61 64 P 0.60198666293527 0.16425926618238 0.72759578710363 30.974 > 61 65 P 0.12087028752579 0.09676941556260 0.41235347049335 30.974 > 65 66 P 0.62087028752579 0.09676941556260 0.41235347049335 30.974 > 65 67 P 0.12087028752579 0.09676941556260 0.91235347049335 30.974 > 65 68 P 0.62087028752579 0.09676941556260 0.91235347049335 30.974 > 65 69 P 0.37912971247421 0.59676941556260 0.33764652950665 30.974 > 69 70 P 0.87912971247421 0.59676941556260 0.33764652950665 30.974 > 69 71 P 0.37912971247421 0.59676941556260 0.83764652950665 30.974 > 69 72 P 0.87912971247421 0.59676941556260 0.83764652950665 30.974 > 69 73 P 0.37912971247421 0.90323058443740 0.08764652950665 30.974 > 73 74 P 0.87912971247421 0.90323058443740 0.08764652950665 30.974 > 73 75 P 0.37912971247421 0.90323058443740 0.58764652950665 30.974 > 73 76 P 0.87912971247421 0.90323058443740 0.58764652950665 30.974 > 73 77 P 0.12087028752579 0.40323058443740 0.16235347049335 30.974 > 77 78 P 0.62087028752579 0.40323058443740 0.16235347049335 30.974 > 77 79 P 0.12087028752579 0.40323058443740 0.66235347049335 30.974 > 77 80 P 0.62087028752579 0.40323058443740 0.66235347049335 30.974 > 77 81 P 0.16998122959154 0.51296607920328 0.49827377434362 30.974 > 81 82 P 0.66998122959154 0.51296607920328 0.49827377434362 30.974 > 81 83 P 0.16998122959154 0.51296607920328 0.99827377434362 30.974 > 81 84 P 0.66998122959154 0.51296607920328 0.99827377434362 30.974 > 81 85 P 0.33001877040846 0.01296607920328 0.25172622565638 30.974 > 85 86 P 0.83001877040846 0.01296607920328 0.25172622565638 30.974 > 85 87 P 0.33001877040846 0.01296607920328 0.75172622565638 30.974 > 85 88 P 0.83001877040846 0.01296607920328 0.75172622565638 30.974 > 85 89 P 0.33001877040846 0.48703392079672 0.00172622565638 30.974 > 89 90 P 0.83001877040846 0.48703392079672 0.00172622565638 30.974 > 89 91 P 0.33001877040846 0.48703392079672 0.50172622565638 30.974 > 89 92 P 0.83001877040846 0.48703392079672 0.50172622565638 30.974 > 89 93 P 0.16998122959154 0.98703392079672 0.24827377434362 30.974 > 93 94 P 0.66998122959154 0.98703392079672 0.24827377434362 30.974 > 93 95 P 0.16998122959154 0.98703392079672 0.74827377434362 30.974 > 93 96 P 0.66998122959154 0.98703392079672 0.74827377434362 30.974 > 93 97 P 0.40462851009381 0.30956574300245 0.26379013520268 30.974 > 97 98 P 0.90462851009381 0.30956574300245 0.26379013520268 30.974 > 97 99 P 0.40462851009381 0.30956574300245 0.76379013520268 30.974 > 97 100 P 0.90462851009381 0.30956574300245 0.76379013520268 30.974 > 97 101 P 0.09537148990619 0.80956574300245 0.48620986479732 30.974 > 101 102 P 0.59537148990619 0.80956574300245 0.48620986479732 30.974 > 101 103 P 0.09537148990619 0.80956574300245 0.98620986479732 30.974 > 101 104 P 0.59537148990619 0.80956574300245 0.98620986479732 30.974 > 101 105 P 0.09537148990619 0.69043425699755 0.23620986479732 30.974 > 105 106 P 0.59537148990619 0.69043425699755 0.23620986479732 30.974 > 105 107 P 0.09537148990619 0.69043425699755 0.73620986479732 30.974 > 105 108 P 0.59537148990619 0.69043425699755 0.73620986479732 30.974 > 105 109 P 0.40462851009381 0.19043425699755 0.01379013520268 30.974 > 109 110 P 0.90462851009381 0.19043425699755 0.01379013520268 30.974 > 109 111 P 0.40462851009381 0.19043425699755 0.51379013520268 30.974 > 109 112 P 0.90462851009381 0.19043425699755 0.51379013520268 30.974 > 109 113 La 0.30751405711140 0.34918333673103 0.35899884276741 138.905 > 113 114 La 0.80751405711140 0.34918333673103 0.35899884276741 138.905 > 113 115 La 0.30751405711140 0.34918333673103 0.85899884276741 138.905 > 113 116 La 0.80751405711140 0.34918333673103 0.85899884276741 138.905 > 113 117 La 0.19248594288860 0.84918333673103 0.39100115723259 138.905 > 117 118 La 0.69248594288860 0.84918333673103 0.39100115723259 138.905 > 117 119 La 0.19248594288860 0.84918333673103 0.89100115723259 138.905 > 117 120 La 0.69248594288860 0.84918333673103 0.89100115723259 138.905 > 117 121 La 0.19248594288860 0.65081666326897 0.14100115723259 138.905 > 121 122 La 0.69248594288860 0.65081666326897 0.14100115723259 138.905 > 121 123 La 0.19248594288860 0.65081666326897 0.64100115723259 138.905 > 121 124 La 0.69248594288860 0.65081666326897 0.64100115723259 138.905 > 121 125 La 0.30751405711140 0.15081666326897 0.10899884276741 138.905 > 125 126 La 0.80751405711140 0.15081666326897 0.10899884276741 138.905 > 125 127 La 0.30751405711140 0.15081666326897 0.60899884276741 138.905 > 125 128 La 0.80751405711140 0.15081666326897 0.60899884276741 138.905 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 15.8510580 0.0000000 0.3043741 0.0000000 17.1285666 0.0000000 0.3044242 0.0000000 17.0332788 -------------------------- Born effective charges -------------------------- 1 P -0.4576095 0.4688419 0.2900557 0.3446855 0.4600505 -0.0575757 0.0889141 -0.0267975 1.5848535 2 P -0.4576095 -0.4688419 0.2900557 -0.3446855 0.4600505 0.0575757 0.0889141 0.0267975 1.5848535 3 P -0.4576095 0.4688419 0.2900557 0.3446855 0.4600505 -0.0575757 0.0889141 -0.0267975 1.5848535 4 P -0.4576095 -0.4688419 0.2900557 -0.3446855 0.4600505 0.0575757 0.0889141 0.0267975 1.5848535 5 P -0.0830317 0.5485829 -0.4699879 0.4988765 -0.1722414 0.1705025 -0.1754566 -0.1694427 0.0757712 6 P -0.0830317 -0.5485829 -0.4699879 -0.4988765 -0.1722414 -0.1705025 -0.1754566 0.1694427 0.0757712 7 P -0.0830317 0.5485829 -0.4699879 0.4988765 -0.1722414 0.1705025 -0.1754566 -0.1694427 0.0757712 8 P -0.0830317 -0.5485829 -0.4699879 -0.4988765 -0.1722414 -0.1705025 -0.1754566 0.1694427 0.0757712 9 P 0.3625478 0.6916453 0.2446860 0.6412990 -0.4737644 0.0798155 0.2927708 0.1084147 0.3469355 10 P 0.3625478 -0.6916453 0.2446860 -0.6412990 -0.4737644 -0.0798155 0.2927708 -0.1084147 0.3469355 11 P 0.3625478 0.6916453 0.2446860 0.6412990 -0.4737644 0.0798155 0.2927708 0.1084147 0.3469355 12 P 0.3625478 -0.6916453 0.2446860 -0.6412990 -0.4737644 -0.0798155 0.2927708 -0.1084147 0.3469355 13 P -1.2402377 -0.0353967 -0.5884817 0.2103576 -0.9158705 0.4483463 -0.2419246 0.2453444 -1.3422398 14 P -1.2402377 0.0353967 -0.5884817 -0.2103576 -0.9158705 -0.4483463 -0.2419246 -0.2453444 -1.3422398 15 P -1.2402377 -0.0353967 -0.5884817 0.2103576 -0.9158705 0.4483463 -0.2419246 0.2453444 -1.3422398 16 P -1.2402377 0.0353967 -0.5884817 -0.2103576 -0.9158705 -0.4483463 -0.2419246 -0.2453444 -1.3422398 17 P -0.9989296 -0.0577152 -0.1540034 0.3600026 -1.4666724 -0.4682201 -0.0138911 0.2088483 -1.5031618 18 P -0.9989296 0.0577152 -0.1540034 -0.3600026 -1.4666724 0.4682201 -0.0138911 -0.2088483 -1.5031618 19 P -0.9989296 -0.0577152 -0.1540034 0.3600026 -1.4666724 -0.4682201 -0.0138911 0.2088483 -1.5031618 20 P -0.9989296 0.0577152 -0.1540034 -0.3600026 -1.4666724 0.4682201 -0.0138911 -0.2088483 -1.5031618 21 P -0.3758207 0.6087625 0.7658147 0.3780169 0.4323736 -0.2091727 0.1724166 0.1464847 -0.0760508 22 P -0.3758207 -0.6087625 0.7658147 -0.3780169 0.4323736 0.2091727 0.1724166 -0.1464847 -0.0760508 23 P -0.3758207 0.6087625 0.7658147 0.3780169 0.4323736 -0.2091727 0.1724166 0.1464847 -0.0760508 24 P -0.3758207 -0.6087625 0.7658147 -0.3780169 0.4323736 0.2091727 0.1724166 -0.1464847 -0.0760508 25 P -1.1024376 0.1137272 -0.0095969 0.3014049 -0.9497283 -0.3788746 0.0742502 -0.4812719 -1.7397648 26 P -1.1024376 -0.1137272 -0.0095969 -0.3014049 -0.9497283 0.3788746 0.0742502 0.4812719 -1.7397648 27 P -1.1024376 0.1137272 -0.0095969 0.3014049 -0.9497283 -0.3788746 0.0742502 -0.4812719 -1.7397648 28 P -1.1024376 -0.1137272 -0.0095969 -0.3014049 -0.9497283 0.3788746 0.0742502 0.4812719 -1.7397648 29 La 3.8955189 -0.7873683 -0.0784864 -0.0705943 3.0858529 -0.3916205 -0.1970796 -0.1929539 2.6536569 30 La 3.8955189 0.7873683 -0.0784864 0.0705943 3.0858529 0.3916205 -0.1970796 0.1929539 2.6536569 31 La 3.8955189 -0.7873683 -0.0784864 -0.0705943 3.0858529 -0.3916205 -0.1970796 -0.1929539 2.6536569 32 La 3.8955189 0.7873683 -0.0784864 0.0705943 3.0858529 0.3916205 -0.1970796 0.1929539 2.6536569 ---------------------------------------------------------------------------- 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] [-0.0064 0.0000 0.0077] [ 0.0064 0.0000 -0.0077] 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] [-0.0064 0.0000 0.0077] [ 0.0064 0.0000 -0.0077] 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] [-0.0064 0.0000 0.0077] [ 0.0064 0.0000 -0.0077] 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] [-0.0064 0.0000 0.0077] [ 0.0064 0.0000 -0.0077] 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] [-0.0064 0.0000 0.0077] [ 0.0064 0.0000 -0.0077] 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] [-0.0064 0.0000 0.0077] [ 0.0064 0.0000 -0.0077] 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] [-0.0064 0.0000 0.0077] [ 0.0064 0.0000 -0.0077] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0064 0.0000 0.0077] [ 0.0064 0.0000 -0.0077] 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: 0.00000005 (yx) 0.00000005 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 18:32:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:32:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.934955270101715 0.000000000000000 0.000000000000000 b 0.000000000000000 11.501064980000001 0.000000000000000 c -6.530018519793094 0.000000000000000 7.824848383268685 Atomic positions (fractional): 1 P 0.21736849053013 0.21871806389101 0.25189809732165 30.974 2 P 0.78263150946987 0.71871806389101 0.24810190267835 30.974 3 P 0.78263150946987 0.78128193610899 0.74810190267835 30.974 4 P 0.21736849053013 0.28128193610899 0.75189809732165 30.974 5 P 0.80697756410464 0.46762503623281 0.40645139622166 30.974 6 P 0.19302243589536 0.96762503623281 0.09354860377834 30.974 7 P 0.19302243589536 0.53237496376719 0.59354860377834 30.974 8 P 0.80697756410464 0.03237496376719 0.90645139622166 30.974 9 P 0.86338905502558 0.11615711484115 0.73778946115501 30.974 10 P 0.13661094497442 0.61615711484115 0.76221053884499 30.974 11 P 0.13661094497442 0.88384288515885 0.26221053884499 30.974 12 P 0.86338905502558 0.38384288515885 0.23778946115501 30.974 13 P 0.20397332587054 0.33574073381762 0.95519157420725 30.974 14 P 0.79602667412946 0.83574073381762 0.54480842579275 30.974 15 P 0.79602667412946 0.66425926618238 0.04480842579275 30.974 16 P 0.20397332587054 0.16425926618238 0.45519157420725 30.974 17 P 0.24174057505159 0.09676941556260 0.82470694098670 30.974 18 P 0.75825942494841 0.59676941556260 0.67529305901330 30.974 19 P 0.75825942494841 0.90323058443740 0.17529305901330 30.974 20 P 0.24174057505159 0.40323058443740 0.32470694098670 30.974 21 P 0.33996245918308 0.51296607920328 0.99654754868723 30.974 22 P 0.66003754081692 0.01296607920328 0.50345245131277 30.974 23 P 0.66003754081692 0.48703392079672 0.00345245131277 30.974 24 P 0.33996245918308 0.98703392079672 0.49654754868723 30.974 25 P 0.80925702018762 0.30956574300245 0.52758027040536 30.974 26 P 0.19074297981238 0.80956574300245 0.97241972959464 30.974 27 P 0.19074297981238 0.69043425699755 0.47241972959464 30.974 28 P 0.80925702018762 0.19043425699755 0.02758027040536 30.974 29 La 0.61502811422279 0.34918333673103 0.71799768553481 138.905 30 La 0.38497188577721 0.84918333673103 0.78200231446519 138.905 31 La 0.38497188577721 0.65081666326897 0.28200231446519 138.905 32 La 0.61502811422279 0.15081666326897 0.21799768553481 138.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.869910540203430 0.000000000000000 0.000000000000000 b 0.000000000000000 11.501064980000001 0.000000000000000 c -13.060037039586188 0.000000000000000 15.649696766537369 Atomic positions (fractional): 1 P 0.10868424526506 0.21871806389101 0.12594904866083 30.974 > 1 2 P 0.60868424526506 0.21871806389101 0.12594904866083 30.974 > 1 3 P 0.10868424526506 0.21871806389101 0.62594904866083 30.974 > 1 4 P 0.60868424526506 0.21871806389101 0.62594904866083 30.974 > 1 5 P 0.39131575473494 0.71871806389101 0.12405095133918 30.974 > 5 6 P 0.89131575473494 0.71871806389101 0.12405095133918 30.974 > 5 7 P 0.39131575473494 0.71871806389101 0.62405095133917 30.974 > 5 8 P 0.89131575473494 0.71871806389101 0.62405095133917 30.974 > 5 9 P 0.39131575473494 0.78128193610899 0.37405095133917 30.974 > 9 10 P 0.89131575473494 0.78128193610899 0.37405095133917 30.974 > 9 11 P 0.39131575473494 0.78128193610899 0.87405095133917 30.974 > 9 12 P 0.89131575473494 0.78128193610899 0.87405095133917 30.974 > 9 13 P 0.10868424526506 0.28128193610899 0.37594904866083 30.974 > 13 14 P 0.60868424526506 0.28128193610899 0.37594904866083 30.974 > 13 15 P 0.10868424526506 0.28128193610899 0.87594904866083 30.974 > 13 16 P 0.60868424526506 0.28128193610899 0.87594904866083 30.974 > 13 17 P 0.40348878205232 0.46762503623281 0.20322569811083 30.974 > 17 18 P 0.90348878205232 0.46762503623281 0.20322569811083 30.974 > 17 19 P 0.40348878205232 0.46762503623281 0.70322569811083 30.974 > 17 20 P 0.90348878205232 0.46762503623281 0.70322569811083 30.974 > 17 21 P 0.09651121794768 0.96762503623281 0.04677430188917 30.974 > 21 22 P 0.59651121794768 0.96762503623281 0.04677430188917 30.974 > 21 23 P 0.09651121794768 0.96762503623281 0.54677430188917 30.974 > 21 24 P 0.59651121794768 0.96762503623281 0.54677430188917 30.974 > 21 25 P 0.09651121794768 0.53237496376719 0.29677430188917 30.974 > 25 26 P 0.59651121794768 0.53237496376719 0.29677430188917 30.974 > 25 27 P 0.09651121794768 0.53237496376719 0.79677430188917 30.974 > 25 28 P 0.59651121794768 0.53237496376719 0.79677430188917 30.974 > 25 29 P 0.40348878205232 0.03237496376719 0.45322569811083 30.974 > 29 30 P 0.90348878205232 0.03237496376719 0.45322569811083 30.974 > 29 31 P 0.40348878205232 0.03237496376719 0.95322569811083 30.974 > 29 32 P 0.90348878205232 0.03237496376719 0.95322569811083 30.974 > 29 33 P 0.43169452751279 0.11615711484115 0.36889473057750 30.974 > 33 34 P 0.93169452751279 0.11615711484115 0.36889473057750 30.974 > 33 35 P 0.43169452751279 0.11615711484115 0.86889473057750 30.974 > 33 36 P 0.93169452751279 0.11615711484115 0.86889473057750 30.974 > 33 37 P 0.06830547248721 0.61615711484115 0.38110526942250 30.974 > 37 38 P 0.56830547248721 0.61615711484115 0.38110526942250 30.974 > 37 39 P 0.06830547248721 0.61615711484115 0.88110526942250 30.974 > 37 40 P 0.56830547248721 0.61615711484115 0.88110526942250 30.974 > 37 41 P 0.06830547248721 0.88384288515885 0.13110526942250 30.974 > 41 42 P 0.56830547248721 0.88384288515885 0.13110526942250 30.974 > 41 43 P 0.06830547248721 0.88384288515885 0.63110526942250 30.974 > 41 44 P 0.56830547248721 0.88384288515885 0.63110526942250 30.974 > 41 45 P 0.43169452751279 0.38384288515885 0.11889473057751 30.974 > 45 46 P 0.93169452751279 0.38384288515885 0.11889473057751 30.974 > 45 47 P 0.43169452751279 0.38384288515885 0.61889473057751 30.974 > 45 48 P 0.93169452751279 0.38384288515885 0.61889473057751 30.974 > 45 49 P 0.10198666293527 0.33574073381762 0.47759578710363 30.974 > 49 50 P 0.60198666293527 0.33574073381762 0.47759578710363 30.974 > 49 51 P 0.10198666293527 0.33574073381762 0.97759578710363 30.974 > 49 52 P 0.60198666293527 0.33574073381762 0.97759578710363 30.974 > 49 53 P 0.39801333706473 0.83574073381762 0.27240421289637 30.974 > 53 54 P 0.89801333706473 0.83574073381762 0.27240421289637 30.974 > 53 55 P 0.39801333706473 0.83574073381762 0.77240421289637 30.974 > 53 56 P 0.89801333706473 0.83574073381762 0.77240421289637 30.974 > 53 57 P 0.39801333706473 0.66425926618238 0.02240421289637 30.974 > 57 58 P 0.89801333706473 0.66425926618238 0.02240421289637 30.974 > 57 59 P 0.39801333706473 0.66425926618238 0.52240421289637 30.974 > 57 60 P 0.89801333706473 0.66425926618238 0.52240421289637 30.974 > 57 61 P 0.10198666293527 0.16425926618238 0.22759578710363 30.974 > 61 62 P 0.60198666293527 0.16425926618238 0.22759578710363 30.974 > 61 63 P 0.10198666293527 0.16425926618238 0.72759578710363 30.974 > 61 64 P 0.60198666293527 0.16425926618238 0.72759578710363 30.974 > 61 65 P 0.12087028752579 0.09676941556260 0.41235347049335 30.974 > 65 66 P 0.62087028752579 0.09676941556260 0.41235347049335 30.974 > 65 67 P 0.12087028752579 0.09676941556260 0.91235347049335 30.974 > 65 68 P 0.62087028752579 0.09676941556260 0.91235347049335 30.974 > 65 69 P 0.37912971247421 0.59676941556260 0.33764652950665 30.974 > 69 70 P 0.87912971247421 0.59676941556260 0.33764652950665 30.974 > 69 71 P 0.37912971247421 0.59676941556260 0.83764652950665 30.974 > 69 72 P 0.87912971247421 0.59676941556260 0.83764652950665 30.974 > 69 73 P 0.37912971247421 0.90323058443740 0.08764652950665 30.974 > 73 74 P 0.87912971247421 0.90323058443740 0.08764652950665 30.974 > 73 75 P 0.37912971247421 0.90323058443740 0.58764652950665 30.974 > 73 76 P 0.87912971247421 0.90323058443740 0.58764652950665 30.974 > 73 77 P 0.12087028752579 0.40323058443740 0.16235347049335 30.974 > 77 78 P 0.62087028752579 0.40323058443740 0.16235347049335 30.974 > 77 79 P 0.12087028752579 0.40323058443740 0.66235347049335 30.974 > 77 80 P 0.62087028752579 0.40323058443740 0.66235347049335 30.974 > 77 81 P 0.16998122959154 0.51296607920328 0.49827377434362 30.974 > 81 82 P 0.66998122959154 0.51296607920328 0.49827377434362 30.974 > 81 83 P 0.16998122959154 0.51296607920328 0.99827377434362 30.974 > 81 84 P 0.66998122959154 0.51296607920328 0.99827377434362 30.974 > 81 85 P 0.33001877040846 0.01296607920328 0.25172622565638 30.974 > 85 86 P 0.83001877040846 0.01296607920328 0.25172622565638 30.974 > 85 87 P 0.33001877040846 0.01296607920328 0.75172622565638 30.974 > 85 88 P 0.83001877040846 0.01296607920328 0.75172622565638 30.974 > 85 89 P 0.33001877040846 0.48703392079672 0.00172622565638 30.974 > 89 90 P 0.83001877040846 0.48703392079672 0.00172622565638 30.974 > 89 91 P 0.33001877040846 0.48703392079672 0.50172622565638 30.974 > 89 92 P 0.83001877040846 0.48703392079672 0.50172622565638 30.974 > 89 93 P 0.16998122959154 0.98703392079672 0.24827377434362 30.974 > 93 94 P 0.66998122959154 0.98703392079672 0.24827377434362 30.974 > 93 95 P 0.16998122959154 0.98703392079672 0.74827377434362 30.974 > 93 96 P 0.66998122959154 0.98703392079672 0.74827377434362 30.974 > 93 97 P 0.40462851009381 0.30956574300245 0.26379013520268 30.974 > 97 98 P 0.90462851009381 0.30956574300245 0.26379013520268 30.974 > 97 99 P 0.40462851009381 0.30956574300245 0.76379013520268 30.974 > 97 100 P 0.90462851009381 0.30956574300245 0.76379013520268 30.974 > 97 101 P 0.09537148990619 0.80956574300245 0.48620986479732 30.974 > 101 102 P 0.59537148990619 0.80956574300245 0.48620986479732 30.974 > 101 103 P 0.09537148990619 0.80956574300245 0.98620986479732 30.974 > 101 104 P 0.59537148990619 0.80956574300245 0.98620986479732 30.974 > 101 105 P 0.09537148990619 0.69043425699755 0.23620986479732 30.974 > 105 106 P 0.59537148990619 0.69043425699755 0.23620986479732 30.974 > 105 107 P 0.09537148990619 0.69043425699755 0.73620986479732 30.974 > 105 108 P 0.59537148990619 0.69043425699755 0.73620986479732 30.974 > 105 109 P 0.40462851009381 0.19043425699755 0.01379013520268 30.974 > 109 110 P 0.90462851009381 0.19043425699755 0.01379013520268 30.974 > 109 111 P 0.40462851009381 0.19043425699755 0.51379013520268 30.974 > 109 112 P 0.90462851009381 0.19043425699755 0.51379013520268 30.974 > 109 113 La 0.30751405711140 0.34918333673103 0.35899884276741 138.905 > 113 114 La 0.80751405711140 0.34918333673103 0.35899884276741 138.905 > 113 115 La 0.30751405711140 0.34918333673103 0.85899884276741 138.905 > 113 116 La 0.80751405711140 0.34918333673103 0.85899884276741 138.905 > 113 117 La 0.19248594288860 0.84918333673103 0.39100115723259 138.905 > 117 118 La 0.69248594288860 0.84918333673103 0.39100115723259 138.905 > 117 119 La 0.19248594288860 0.84918333673103 0.89100115723259 138.905 > 117 120 La 0.69248594288860 0.84918333673103 0.89100115723259 138.905 > 117 121 La 0.19248594288860 0.65081666326897 0.14100115723259 138.905 > 121 122 La 0.69248594288860 0.65081666326897 0.14100115723259 138.905 > 121 123 La 0.19248594288860 0.65081666326897 0.64100115723259 138.905 > 121 124 La 0.69248594288860 0.65081666326897 0.64100115723259 138.905 > 121 125 La 0.30751405711140 0.15081666326897 0.10899884276741 138.905 > 125 126 La 0.80751405711140 0.15081666326897 0.10899884276741 138.905 > 125 127 La 0.30751405711140 0.15081666326897 0.60899884276741 138.905 > 125 128 La 0.80751405711140 0.15081666326897 0.60899884276741 138.905 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 15.8510580 0.0000000 0.3043741 0.0000000 17.1285666 0.0000000 0.3044242 0.0000000 17.0332788 -------------------------- Born effective charges -------------------------- 1 P -0.4576095 0.4688419 0.2900557 0.3446855 0.4600505 -0.0575757 0.0889141 -0.0267975 1.5848535 2 P -0.4576095 -0.4688419 0.2900557 -0.3446855 0.4600505 0.0575757 0.0889141 0.0267975 1.5848535 3 P -0.4576095 0.4688419 0.2900557 0.3446855 0.4600505 -0.0575757 0.0889141 -0.0267975 1.5848535 4 P -0.4576095 -0.4688419 0.2900557 -0.3446855 0.4600505 0.0575757 0.0889141 0.0267975 1.5848535 5 P -0.0830317 0.5485829 -0.4699879 0.4988765 -0.1722414 0.1705025 -0.1754566 -0.1694427 0.0757712 6 P -0.0830317 -0.5485829 -0.4699879 -0.4988765 -0.1722414 -0.1705025 -0.1754566 0.1694427 0.0757712 7 P -0.0830317 0.5485829 -0.4699879 0.4988765 -0.1722414 0.1705025 -0.1754566 -0.1694427 0.0757712 8 P -0.0830317 -0.5485829 -0.4699879 -0.4988765 -0.1722414 -0.1705025 -0.1754566 0.1694427 0.0757712 9 P 0.3625478 0.6916453 0.2446860 0.6412990 -0.4737644 0.0798155 0.2927708 0.1084147 0.3469355 10 P 0.3625478 -0.6916453 0.2446860 -0.6412990 -0.4737644 -0.0798155 0.2927708 -0.1084147 0.3469355 11 P 0.3625478 0.6916453 0.2446860 0.6412990 -0.4737644 0.0798155 0.2927708 0.1084147 0.3469355 12 P 0.3625478 -0.6916453 0.2446860 -0.6412990 -0.4737644 -0.0798155 0.2927708 -0.1084147 0.3469355 13 P -1.2402377 -0.0353967 -0.5884817 0.2103576 -0.9158705 0.4483463 -0.2419246 0.2453444 -1.3422398 14 P -1.2402377 0.0353967 -0.5884817 -0.2103576 -0.9158705 -0.4483463 -0.2419246 -0.2453444 -1.3422398 15 P -1.2402377 -0.0353967 -0.5884817 0.2103576 -0.9158705 0.4483463 -0.2419246 0.2453444 -1.3422398 16 P -1.2402377 0.0353967 -0.5884817 -0.2103576 -0.9158705 -0.4483463 -0.2419246 -0.2453444 -1.3422398 17 P -0.9989296 -0.0577152 -0.1540034 0.3600026 -1.4666724 -0.4682201 -0.0138911 0.2088483 -1.5031618 18 P -0.9989296 0.0577152 -0.1540034 -0.3600026 -1.4666724 0.4682201 -0.0138911 -0.2088483 -1.5031618 19 P -0.9989296 -0.0577152 -0.1540034 0.3600026 -1.4666724 -0.4682201 -0.0138911 0.2088483 -1.5031618 20 P -0.9989296 0.0577152 -0.1540034 -0.3600026 -1.4666724 0.4682201 -0.0138911 -0.2088483 -1.5031618 21 P -0.3758207 0.6087625 0.7658147 0.3780169 0.4323736 -0.2091727 0.1724166 0.1464847 -0.0760508 22 P -0.3758207 -0.6087625 0.7658147 -0.3780169 0.4323736 0.2091727 0.1724166 -0.1464847 -0.0760508 23 P -0.3758207 0.6087625 0.7658147 0.3780169 0.4323736 -0.2091727 0.1724166 0.1464847 -0.0760508 24 P -0.3758207 -0.6087625 0.7658147 -0.3780169 0.4323736 0.2091727 0.1724166 -0.1464847 -0.0760508 25 P -1.1024376 0.1137272 -0.0095969 0.3014049 -0.9497283 -0.3788746 0.0742502 -0.4812719 -1.7397648 26 P -1.1024376 -0.1137272 -0.0095969 -0.3014049 -0.9497283 0.3788746 0.0742502 0.4812719 -1.7397648 27 P -1.1024376 0.1137272 -0.0095969 0.3014049 -0.9497283 -0.3788746 0.0742502 -0.4812719 -1.7397648 28 P -1.1024376 -0.1137272 -0.0095969 -0.3014049 -0.9497283 0.3788746 0.0742502 0.4812719 -1.7397648 29 La 3.8955189 -0.7873683 -0.0784864 -0.0705943 3.0858529 -0.3916205 -0.1970796 -0.1929539 2.6536569 30 La 3.8955189 0.7873683 -0.0784864 0.0705943 3.0858529 0.3916205 -0.1970796 0.1929539 2.6536569 31 La 3.8955189 -0.7873683 -0.0784864 -0.0705943 3.0858529 -0.3916205 -0.1970796 -0.1929539 2.6536569 32 La 3.8955189 0.7873683 -0.0784864 0.0705943 3.0858529 0.3916205 -0.1970796 0.1929539 2.6536569 ---------------------------------------------------------------------------- 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 (xx) 0.00000000 (xx) --------------------------- 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 ... [ 9 4 6 ] 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: 0.49, Number of G-points: 305, Lambda: 0.21 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/84) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 84 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 2.260 ( 0.000 0.000 0.000) 0.000 2.340 ( 0.000 0.000 0.000) 0.000 2.480 ( 0.000 0.000 0.000) 0.000 2.897 ( 0.000 0.000 0.000) 0.000 2.916 ( 0.000 0.000 0.000) 0.000 2.918 ( 0.000 0.000 0.000) 0.000 2.989 ( 0.000 0.000 0.000) 0.000 3.077 ( 0.000 0.000 0.000) 0.000 3.133 ( 0.000 0.000 0.000) 0.000 3.170 ( 0.000 0.000 0.000) 0.000 3.207 ( 0.000 0.000 0.000) 0.000 3.385 ( 0.000 0.000 0.000) 0.000 3.611 ( 0.000 0.000 0.000) 0.000 3.649 ( 0.000 0.000 0.000) 0.000 3.742 ( 0.000 0.000 0.000) 0.000 3.994 ( 0.000 0.000 0.000) 0.000 4.002 ( 0.000 0.000 0.000) 0.000 4.044 ( 0.000 0.000 0.000) 0.000 4.046 ( 0.000 0.000 0.000) 0.000 4.055 ( 0.000 0.000 0.000) 0.000 4.136 ( 0.000 0.000 0.000) 0.000 4.197 ( 0.000 0.000 0.000) 0.000 4.305 ( 0.000 0.000 0.000) 0.000 4.492 ( 0.000 0.000 0.000) 0.000 4.648 ( 0.000 0.000 0.000) 0.000 4.723 ( 0.000 0.000 0.000) 0.000 4.757 ( 0.000 0.000 0.000) 0.000 5.089 ( 0.000 0.000 0.000) 0.000 5.121 ( 0.000 0.000 0.000) 0.000 5.180 ( 0.000 0.000 0.000) 0.000 5.248 ( 0.000 0.000 0.000) 0.000 5.438 ( 0.000 0.000 0.000) 0.000 5.449 ( 0.000 0.000 0.000) 0.000 5.596 ( 0.000 0.000 0.000) 0.000 5.824 ( 0.000 0.000 0.000) 0.000 5.852 ( 0.000 0.000 0.000) 0.000 5.919 ( 0.000 0.000 0.000) 0.000 5.949 ( 0.000 0.000 0.000) 0.000 5.956 ( 0.000 0.000 0.000) 0.000 6.303 ( 0.000 0.000 0.000) 0.000 6.332 ( 0.000 0.000 0.000) 0.000 6.334 ( 0.000 0.000 0.000) 0.000 6.348 ( 0.000 0.000 0.000) 0.000 6.662 ( 0.000 0.000 0.000) 0.000 6.745 ( 0.000 0.000 0.000) 0.000 6.766 ( 0.000 0.000 0.000) 0.000 6.929 ( 0.000 0.000 0.000) 0.000 7.021 ( 0.000 0.000 0.000) 0.000 7.109 ( 0.000 0.000 0.000) 0.000 7.437 ( 0.000 0.000 0.000) 0.000 7.446 ( 0.000 0.000 0.000) 0.000 7.548 ( 0.000 0.000 0.000) 0.000 7.607 ( 0.000 0.000 0.000) 0.000 7.797 ( 0.000 0.000 0.000) 0.000 7.909 ( 0.000 0.000 0.000) 0.000 8.187 ( 0.000 0.000 0.000) 0.000 8.509 ( 0.000 0.000 0.000) 0.000 11.056 ( 0.000 0.000 0.000) 0.000 11.232 ( 0.000 0.000 0.000) 0.000 11.397 ( 0.000 0.000 0.000) 0.000 11.493 ( 0.000 0.000 0.000) 0.000 11.565 ( 0.000 0.000 0.000) 0.000 11.623 ( 0.000 0.000 0.000) 0.000 11.780 ( 0.000 0.000 0.000) 0.000 11.849 ( 0.000 0.000 0.000) 0.000 12.250 ( 0.000 0.000 0.000) 0.000 12.297 ( 0.000 0.000 0.000) 0.000 12.356 ( 0.000 0.000 0.000) 0.000 12.446 ( 0.000 0.000 0.000) 0.000 12.497 ( 0.000 0.000 0.000) 0.000 12.507 ( 0.000 0.000 0.000) 0.000 12.593 ( 0.000 0.000 0.000) 0.000 12.624 ( 0.000 0.000 0.000) 0.000 12.641 ( 0.000 0.000 0.000) 0.000 12.691 ( 0.000 0.000 0.000) 0.000 12.743 ( 0.000 0.000 0.000) 0.000 12.860 ( 0.000 0.000 0.000) 0.000 12.866 ( 0.000 0.000 0.000) 0.000 12.924 ( 0.000 0.000 0.000) 0.000 12.955 ( 0.000 0.000 0.000) 0.000 12.988 ( 0.000 0.000 0.000) 0.000 13.300 ( 0.000 0.000 0.000) 0.000 13.341 ( 0.000 0.000 0.000) 0.000 13.401 ( 0.000 0.000 0.000) 0.000 13.478 ( 0.000 0.000 0.000) 0.000 13.932 ( 0.000 0.000 0.000) 0.000 13.945 ( 0.000 0.000 0.000) 0.000 14.117 ( 0.000 0.000 0.000) 0.000 14.184 ( 0.000 0.000 0.000) 0.000 14.186 ( 0.000 0.000 0.000) 0.000 14.254 ( 0.000 0.000 0.000) 0.000 14.332 ( 0.000 0.000 0.000) 0.000 14.388 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/84) ======================= q-point: ( 0.11 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.638 ( 22.759 0.000 20.325) 30.514 0.691 ( 25.565 0.000 19.293) 32.028 1.176 ( 42.148 0.000 34.688) 54.586 2.261 ( 1.685 0.000 -0.504) 1.759 2.347 ( 1.764 0.000 -0.450) 1.820 2.548 ( 2.778 0.000 4.991) 5.712 2.820 ( -4.282 0.000 -2.959) 5.205 2.869 ( -3.458 0.000 -4.262) 5.488 2.915 ( 0.536 0.000 -4.786) 4.816 2.988 ( 1.477 0.000 -0.698) 1.634 3.060 ( 2.963 0.000 -4.054) 5.022 3.171 ( 2.725 0.000 1.050) 2.921 3.206 ( -0.489 0.000 3.783) 3.814 3.251 ( 2.298 0.000 3.605) 4.275 3.354 ( -0.528 0.000 -2.339) 2.397 3.641 ( -2.066 0.000 0.773) 2.206 3.647 ( 1.211 0.000 0.516) 1.316 3.764 ( -0.263 0.000 3.803) 3.812 3.866 ( -6.188 0.000 -6.617) 9.059 3.953 ( -5.986 0.000 -3.680) 7.027 3.979 ( -2.633 0.000 -2.151) 3.400 4.035 ( 1.292 0.000 -1.520) 1.995 4.067 ( -2.325 0.000 -6.150) 6.575 4.087 ( 2.823 0.000 0.330) 2.842 4.313 ( 4.790 0.000 5.886) 7.589 4.323 ( -1.028 0.000 1.721) 2.004 4.541 ( -0.629 0.000 -1.055) 1.229 4.668 ( -1.007 0.000 -3.492) 3.634 4.723 ( -2.632 0.000 -1.831) 3.206 4.744 ( 0.123 0.000 2.429) 2.432 5.051 ( -1.449 0.000 -2.617) 2.991 5.109 ( -4.541 0.000 3.693) 5.853 5.151 ( -5.041 0.000 -3.845) 6.340 5.187 ( 2.797 0.000 -2.464) 3.727 5.512 ( 4.217 0.000 6.194) 7.493 5.566 ( -0.732 0.000 -1.400) 1.580 5.596 ( 4.247 0.000 6.183) 7.501 5.835 ( -2.426 0.000 -6.315) 6.765 5.846 ( -2.613 0.000 -2.277) 3.466 5.895 ( 2.949 0.000 4.263) 5.184 5.948 ( -2.331 0.000 1.924) 3.022 5.990 ( 0.558 0.000 1.691) 1.780 6.300 ( -0.973 0.000 1.765) 2.015 6.304 ( -1.429 0.000 -1.726) 2.241 6.371 ( 0.204 0.000 2.398) 2.407 6.376 ( 3.990 0.000 0.308) 4.002 6.656 ( 0.033 0.000 -1.628) 1.628 6.749 ( 1.822 0.000 -2.354) 2.976 6.770 ( -3.388 0.000 2.010) 3.939 6.897 ( -4.872 0.000 2.221) 5.354 6.997 ( -1.337 0.000 -1.685) 2.151 7.125 ( 1.393 0.000 0.577) 1.508 7.410 ( -0.221 0.000 -2.142) 2.154 7.478 ( 3.069 0.000 -1.304) 3.335 7.515 ( 0.121 0.000 -3.288) 3.290 7.618 ( 1.510 0.000 -1.318) 2.004 7.848 ( 1.505 0.000 4.970) 5.193 7.942 ( -2.329 0.000 -4.859) 5.389 8.244 ( 3.647 0.000 1.777) 4.057 8.487 ( -0.745 0.000 -2.385) 2.499 11.069 ( 0.692 0.000 0.943) 1.170 11.236 ( -0.041 0.000 0.600) 0.601 11.398 ( -0.096 0.000 -0.455) 0.465 11.483 ( -0.100 0.000 -1.501) 1.504 11.549 ( -0.622 0.000 -1.434) 1.563 11.632 ( 0.805 0.000 0.136) 0.816 11.829 ( -2.145 0.000 2.141) 3.031 11.842 ( -0.534 0.000 -0.237) 0.584 12.247 ( -0.434 0.000 0.090) 0.444 12.300 ( -0.001 0.000 0.585) 0.585 12.359 ( 0.392 0.000 -0.115) 0.409 12.442 ( -0.438 0.000 0.058) 0.442 12.501 ( -0.006 0.000 0.696) 0.696 12.519 ( 0.651 0.000 0.808) 1.038 12.585 ( -0.580 0.000 -0.343) 0.674 12.626 ( -0.772 0.000 0.133) 0.784 12.659 ( -0.096 0.000 1.378) 1.381 12.687 ( -0.182 0.000 -0.426) 0.463 12.746 ( -0.082 0.000 0.578) 0.583 12.858 ( 0.259 0.000 -0.716) 0.761 12.870 ( 0.302 0.000 0.045) 0.306 12.922 ( 0.026 0.000 -0.406) 0.407 12.960 ( 0.942 0.000 -0.540) 1.085 12.988 ( 0.481 0.000 -0.635) 0.796 13.306 ( 0.160 0.000 0.686) 0.705 13.346 ( 0.120 0.000 0.540) 0.553 13.399 ( 0.110 0.000 -0.412) 0.426 13.475 ( -0.062 0.000 -0.434) 0.439 13.928 ( -0.543 0.000 0.007) 0.543 13.952 ( 0.153 0.000 0.314) 0.350 14.103 ( 0.539 0.000 -2.324) 2.386 14.185 ( 0.269 0.000 -3.645) 3.655 14.207 ( -0.037 0.000 2.524) 2.524 14.278 ( -0.376 0.000 2.396) 2.426 14.334 ( 0.135 0.000 0.169) 0.217 14.382 ( -0.429 0.000 -0.297) 0.522 ======================= Grid point 2 (3/84) ======================= q-point: ( 0.22 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( 21.574 0.000 19.895) 29.347 1.313 ( 21.594 0.000 16.545) 27.204 2.224 ( 31.617 0.000 26.685) 41.373 2.311 ( 5.259 0.000 -0.379) 5.272 2.425 ( 6.535 0.000 5.737) 8.696 2.640 ( -0.887 0.000 5.020) 5.098 2.691 ( -3.807 0.000 -8.052) 8.907 2.724 ( -2.504 0.000 -7.010) 7.444 2.785 ( -3.827 0.000 -8.801) 9.598 3.011 ( 0.067 0.000 2.673) 2.674 3.097 ( 7.076 0.000 -2.761) 7.596 3.205 ( -0.475 0.000 -3.639) 3.670 3.221 ( 4.570 0.000 -2.681) 5.299 3.342 ( 0.571 0.000 0.748) 0.941 3.370 ( 2.179 0.000 7.166) 7.490 3.564 ( -2.932 0.000 -5.561) 6.287 3.623 ( -0.182 0.000 -4.106) 4.110 3.728 ( -4.559 0.000 1.936) 4.953 3.805 ( -4.450 0.000 -5.289) 6.912 3.822 ( -2.338 0.000 4.971) 5.493 3.891 ( -3.468 0.000 -2.767) 4.437 3.907 ( -6.393 0.000 -5.502) 8.435 4.101 ( 6.391 0.000 0.606) 6.420 4.132 ( 2.505 0.000 -0.231) 2.516 4.304 ( -5.113 0.000 2.733) 5.798 4.437 ( 1.874 0.000 -0.565) 1.957 4.509 ( -2.255 0.000 1.596) 2.762 4.583 ( -4.240 0.000 -0.125) 4.241 4.607 ( -5.349 0.000 -4.738) 7.145 4.795 ( -0.341 0.000 4.841) 4.853 4.971 ( -3.770 0.000 -3.051) 4.850 5.064 ( -5.231 0.000 1.137) 5.353 5.087 ( 0.250 0.000 1.211) 1.236 5.216 ( 3.857 0.000 -1.070) 4.003 5.559 ( -0.032 0.000 1.226) 1.227 5.668 ( -5.473 0.000 -9.024) 10.554 5.668 ( -0.369 0.000 3.477) 3.497 5.689 ( 3.150 0.000 2.858) 4.254 5.818 ( 1.017 0.000 1.820) 2.085 5.943 ( -0.458 0.000 2.795) 2.833 6.000 ( 2.580 0.000 2.133) 3.348 6.014 ( 0.648 0.000 1.925) 2.031 6.249 ( -1.757 0.000 -2.158) 2.783 6.320 ( -0.108 0.000 2.213) 2.216 6.403 ( -0.389 0.000 1.816) 1.857 6.458 ( 4.650 0.000 1.389) 4.853 6.609 ( -1.498 0.000 -3.154) 3.491 6.728 ( 1.882 0.000 -4.471) 4.851 6.742 ( -2.387 0.000 0.958) 2.572 6.861 ( -5.443 0.000 4.460) 7.037 6.945 ( -1.967 0.000 -1.407) 2.418 7.156 ( 2.386 0.000 -1.430) 2.782 7.383 ( 0.164 0.000 -1.281) 1.292 7.485 ( 1.494 0.000 -2.934) 3.293 7.507 ( 3.269 0.000 -2.096) 3.883 7.616 ( 1.422 0.000 -2.423) 2.809 7.843 ( -3.737 0.000 -1.876) 4.181 7.952 ( 1.896 0.000 5.810) 6.111 8.318 ( 2.812 0.000 1.130) 3.030 8.426 ( -1.130 0.000 -4.139) 4.291 11.100 ( 1.062 0.000 1.446) 1.794 11.244 ( -0.102 0.000 0.728) 0.735 11.389 ( 0.267 0.000 -0.995) 1.030 11.448 ( -1.291 0.000 -1.956) 2.344 11.515 ( 0.040 0.000 -2.546) 2.546 11.644 ( 0.670 0.000 -0.369) 0.765 11.826 ( -0.722 0.000 0.975) 1.213 11.831 ( -0.508 0.000 -0.085) 0.515 12.245 ( -0.173 0.000 0.599) 0.624 12.317 ( 0.459 0.000 1.484) 1.554 12.364 ( 0.436 0.000 -0.238) 0.497 12.433 ( -0.456 0.000 -0.367) 0.586 12.517 ( 0.306 0.000 1.367) 1.401 12.539 ( -0.021 0.000 0.974) 0.975 12.573 ( -0.404 0.000 0.061) 0.409 12.618 ( -0.652 0.000 0.285) 0.712 12.669 ( -0.207 0.000 0.322) 0.383 12.673 ( -0.377 0.000 -0.961) 1.032 12.753 ( -0.135 0.000 0.694) 0.707 12.849 ( 0.174 0.000 -1.143) 1.156 12.875 ( 0.114 0.000 -0.032) 0.119 12.919 ( 0.098 0.000 -0.089) 0.132 12.968 ( 1.218 0.000 -0.935) 1.536 12.985 ( 0.583 0.000 -0.995) 1.153 13.324 ( 0.427 0.000 1.265) 1.335 13.358 ( 0.167 0.000 0.884) 0.900 13.395 ( 0.309 0.000 -0.613) 0.686 13.467 ( 0.086 0.000 -0.540) 0.547 13.914 ( -0.947 0.000 -0.322) 1.000 13.962 ( 0.307 0.000 0.724) 0.787 14.082 ( 0.669 0.000 -2.069) 2.175 14.141 ( 0.101 0.000 -3.371) 3.372 14.241 ( 0.061 0.000 2.374) 2.375 14.293 ( -1.052 0.000 1.589) 1.906 14.341 ( 0.184 0.000 0.334) 0.381 14.370 ( -0.490 0.000 -0.249) 0.550 ======================= Grid point 3 (4/84) ======================= q-point: ( 0.33 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( 15.787 0.000 13.612) 20.845 1.838 ( 17.497 0.000 17.415) 24.686 2.361 ( 4.589 0.000 -1.078) 4.714 2.424 ( -6.473 0.000 -1.182) 6.580 2.425 ( -8.546 0.000 -12.826) 15.412 2.648 ( -1.445 0.000 -1.932) 2.412 2.663 ( -0.949 0.000 -4.386) 4.487 2.709 ( 8.912 0.000 3.416) 9.544 3.000 ( 11.819 0.000 6.267) 13.378 3.085 ( 0.569 0.000 -0.575) 0.809 3.160 ( 2.661 0.000 -1.602) 3.106 3.194 ( 15.920 0.000 6.455) 17.179 3.240 ( 1.696 0.000 -2.078) 2.682 3.371 ( -1.352 0.000 2.959) 3.253 3.418 ( 3.602 0.000 -3.688) 5.156 3.557 ( 0.232 0.000 -4.064) 4.070 3.572 ( 0.805 0.000 7.604) 7.646 3.676 ( -0.355 0.000 -5.517) 5.529 3.705 ( -7.034 0.000 -5.550) 8.960 3.731 ( 0.375 0.000 0.223) 0.436 3.828 ( -3.648 0.000 2.553) 4.452 3.847 ( -3.875 0.000 5.714) 6.904 4.146 ( -0.976 0.000 -1.288) 1.616 4.191 ( 3.922 0.000 -2.099) 4.448 4.218 ( -7.238 0.000 0.349) 7.247 4.277 ( -8.405 0.000 -6.636) 10.709 4.469 ( -4.540 0.000 -2.364) 5.119 4.532 ( -3.342 0.000 1.460) 3.647 4.611 ( 2.584 0.000 6.609) 7.096 4.861 ( -1.778 0.000 6.548) 6.785 4.888 ( -1.708 0.000 -2.750) 3.237 5.002 ( -1.310 0.000 -0.206) 1.326 5.142 ( 1.713 0.000 3.036) 3.486 5.243 ( 3.392 0.000 -6.814) 7.611 5.443 ( -7.374 0.000 -6.200) 9.634 5.602 ( 1.026 0.000 4.335) 4.455 5.618 ( -2.001 0.000 -2.205) 2.977 5.761 ( -0.335 0.000 1.815) 1.846 5.859 ( -0.127 0.000 1.792) 1.797 6.003 ( 0.127 0.000 -2.371) 2.374 6.043 ( 4.083 0.000 5.525) 6.870 6.059 ( -0.785 0.000 1.255) 1.481 6.208 ( -0.241 0.000 -0.874) 0.907 6.359 ( 1.099 0.000 2.973) 3.170 6.393 ( -1.042 0.000 -1.355) 1.709 6.542 ( -2.037 0.000 -2.439) 3.177 6.557 ( 4.789 0.000 1.632) 5.059 6.712 ( 1.775 0.000 -2.739) 3.264 6.728 ( -1.715 0.000 2.270) 2.846 6.831 ( -4.722 0.000 3.872) 6.106 6.906 ( -1.501 0.000 -0.526) 1.590 7.135 ( 0.751 0.000 -5.471) 5.522 7.395 ( 0.808 0.000 1.665) 1.850 7.483 ( 2.178 0.000 -1.988) 2.949 7.523 ( 2.474 0.000 -2.575) 3.571 7.602 ( 0.880 0.000 -2.243) 2.409 7.783 ( -2.487 0.000 0.334) 2.510 8.055 ( 1.619 0.000 5.377) 5.616 8.346 ( -1.185 0.000 -4.990) 5.129 8.362 ( 1.506 0.000 0.288) 1.533 11.136 ( 0.962 0.000 1.322) 1.635 11.249 ( -0.084 0.000 0.117) 0.144 11.381 ( 0.275 0.000 -0.964) 1.002 11.396 ( -2.336 0.000 -1.124) 2.592 11.493 ( 1.428 0.000 -2.248) 2.663 11.643 ( 0.170 0.000 -0.720) 0.740 11.821 ( -0.626 0.000 -0.113) 0.636 11.832 ( -0.043 0.000 0.737) 0.738 12.260 ( 0.535 0.000 1.192) 1.307 12.350 ( 0.681 0.000 1.776) 1.902 12.363 ( 0.047 0.000 -0.477) 0.479 12.420 ( -0.183 0.000 -0.632) 0.658 12.543 ( -0.579 0.000 0.868) 1.044 12.546 ( 0.711 0.000 1.726) 1.867 12.578 ( 0.106 0.000 0.700) 0.708 12.612 ( -0.457 0.000 0.230) 0.512 12.648 ( -0.636 0.000 -1.532) 1.658 12.658 ( -0.748 0.000 -0.759) 1.066 12.758 ( -0.185 0.000 0.348) 0.394 12.836 ( 0.053 0.000 -0.887) 0.888 12.872 ( -0.077 0.000 -0.248) 0.260 12.924 ( 0.252 0.000 0.367) 0.445 12.973 ( 0.980 0.000 -0.968) 1.377 12.980 ( 0.351 0.000 -0.918) 0.983 13.350 ( 0.462 0.000 1.411) 1.485 13.370 ( -0.031 0.000 0.619) 0.620 13.393 ( 0.414 0.000 -0.704) 0.817 13.466 ( 0.343 0.000 -0.241) 0.419 13.892 ( -0.937 0.000 -0.520) 1.072 13.982 ( 0.480 0.000 1.282) 1.369 14.071 ( 0.639 0.000 -1.200) 1.359 14.097 ( -0.211 0.000 -3.109) 3.116 14.270 ( 0.153 0.000 1.619) 1.626 14.291 ( -1.092 0.000 0.802) 1.355 14.346 ( 0.008 0.000 0.201) 0.201 14.361 ( -0.304 0.000 -0.052) 0.309 ======================= Grid point 4 (5/84) ======================= q-point: ( 0.44 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( 3.793 0.000 -2.222) 4.395 2.214 ( 1.159 0.000 7.286) 7.378 2.227 ( 7.172 0.000 7.779) 10.581 2.309 ( -2.830 0.000 -1.629) 3.265 2.422 ( 2.115 0.000 1.015) 2.346 2.526 ( -4.090 0.000 -8.298) 9.251 2.619 ( 0.169 0.000 -1.651) 1.660 2.836 ( 2.407 0.000 -0.193) 2.415 3.069 ( 6.561 0.000 -2.126) 6.897 3.143 ( -1.217 0.000 -0.443) 1.295 3.174 ( 0.260 0.000 6.506) 6.511 3.251 ( 0.696 0.000 0.500) 0.857 3.322 ( -1.521 0.000 -2.882) 3.259 3.374 ( -0.928 0.000 -4.626) 4.718 3.443 ( 2.388 0.000 -1.448) 2.793 3.576 ( -0.707 0.000 -0.716) 1.007 3.623 ( 1.696 0.000 -2.224) 2.797 3.660 ( 0.758 0.000 0.460) 0.887 3.679 ( 5.071 0.000 4.456) 6.751 3.802 ( 3.857 0.000 0.333) 3.871 3.825 ( 0.329 0.000 5.272) 5.282 3.887 ( -1.159 0.000 5.345) 5.469 3.999 ( -10.289 0.000 -2.135) 10.508 4.062 ( -4.522 0.000 -2.710) 5.272 4.186 ( 0.746 0.000 -0.694) 1.019 4.224 ( 2.182 0.000 -2.369) 3.221 4.412 ( -1.787 0.000 0.956) 2.027 4.472 ( -3.619 0.000 -0.334) 3.635 4.744 ( 2.166 0.000 5.621) 6.024 4.829 ( -0.652 0.000 -3.572) 3.631 4.890 ( -1.977 0.000 4.542) 4.953 5.015 ( 0.614 0.000 -4.257) 4.301 5.125 ( -0.523 0.000 -4.254) 4.286 5.193 ( 0.633 0.000 1.206) 1.362 5.344 ( -1.455 0.000 -0.809) 1.665 5.573 ( -0.844 0.000 -0.879) 1.218 5.703 ( 2.392 0.000 4.962) 5.508 5.776 ( 0.483 0.000 0.780) 0.918 5.850 ( -1.601 0.000 -0.082) 1.603 5.931 ( -2.375 0.000 -4.247) 4.866 6.049 ( -0.691 0.000 0.282) 0.746 6.160 ( 3.364 0.000 2.361) 4.110 6.214 ( -0.550 0.000 0.725) 0.910 6.354 ( -0.477 0.000 -1.689) 1.755 6.422 ( 1.313 0.000 2.046) 2.431 6.487 ( -1.161 0.000 -1.118) 1.612 6.632 ( 2.570 0.000 -0.084) 2.571 6.697 ( -0.220 0.000 -0.936) 0.962 6.743 ( -0.615 0.000 1.968) 2.062 6.830 ( -1.863 0.000 3.520) 3.983 6.878 ( -0.374 0.000 -1.424) 1.472 7.066 ( -0.286 0.000 -3.611) 3.622 7.432 ( 0.359 0.000 1.573) 1.613 7.493 ( 1.079 0.000 -0.768) 1.324 7.520 ( 0.959 0.000 -1.630) 1.891 7.589 ( 0.263 0.000 -0.928) 0.965 7.766 ( -0.696 0.000 0.489) 0.850 8.145 ( 1.159 0.000 4.387) 4.538 8.261 ( -1.037 0.000 -4.420) 4.540 8.378 ( 0.441 0.000 -0.012) 0.441 11.161 ( 0.398 0.000 0.556) 0.684 11.246 ( 0.011 0.000 -0.242) 0.243 11.356 ( -1.169 0.000 -0.218) 1.189 11.374 ( 0.091 0.000 -0.429) 0.439 11.495 ( 0.938 0.000 -0.749) 1.200 11.636 ( -0.008 0.000 -0.350) 0.350 11.809 ( -0.437 0.000 -0.125) 0.455 11.840 ( 0.062 0.000 0.310) 0.316 12.287 ( 0.598 0.000 0.897) 1.078 12.353 ( -0.285 0.000 -0.516) 0.590 12.375 ( 0.156 0.000 0.712) 0.729 12.413 ( 0.094 0.000 -0.279) 0.295 12.553 ( 0.066 0.000 0.992) 0.994 12.583 ( 0.868 0.000 1.637) 1.853 12.587 ( 0.051 0.000 0.416) 0.419 12.610 ( 0.004 0.000 -0.062) 0.062 12.617 ( -0.550 0.000 -1.301) 1.412 12.628 ( -1.071 0.000 -1.205) 1.612 12.757 ( -0.126 0.000 -0.013) 0.127 12.829 ( 0.021 0.000 -0.256) 0.257 12.868 ( -0.072 0.000 -0.137) 0.155 12.932 ( 0.135 0.000 0.263) 0.295 12.974 ( 0.235 0.000 -0.414) 0.476 12.974 ( 0.241 0.000 -0.415) 0.480 13.372 ( 0.142 0.000 1.005) 1.015 13.374 ( -0.092 0.000 0.151) 0.177 13.389 ( 0.245 0.000 -0.711) 0.752 13.470 ( 0.219 0.000 -0.005) 0.219 13.875 ( -0.397 0.000 -0.246) 0.467 14.012 ( 0.549 0.000 1.981) 2.055 14.052 ( -0.488 0.000 -2.664) 2.708 14.068 ( 0.292 0.000 -0.363) 0.466 14.285 ( -0.436 0.000 0.255) 0.505 14.288 ( 0.120 0.000 0.636) 0.648 14.346 ( -0.085 0.000 -0.017) 0.086 14.358 ( -0.095 0.000 0.009) 0.095 ======================= Grid point 9 (6/84) ======================= q-point: ( 0.00 0.25 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( 0.000 31.312 0.000) 31.312 0.777 ( 0.000 34.644 0.000) 34.644 1.178 ( 0.000 52.254 0.000) 52.254 1.916 ( 0.000 -23.134 0.000) 23.134 2.065 ( 0.000 -20.795 0.000) 20.795 2.624 ( 0.000 4.968 0.000) 4.968 2.751 ( 0.000 -7.600 0.000) 7.600 2.978 ( 0.000 2.152 0.000) 2.152 2.980 ( 0.000 -4.123 0.000) 4.123 3.044 ( 0.000 4.117 0.000) 4.117 3.071 ( 0.000 -10.548 0.000) 10.548 3.116 ( 0.000 4.687 0.000) 4.687 3.149 ( 0.000 1.883 0.000) 1.883 3.195 ( 0.000 -1.201 0.000) 1.201 3.356 ( 0.000 -2.329 0.000) 2.329 3.547 ( 0.000 -6.561 0.000) 6.561 3.693 ( 0.000 2.374 0.000) 2.374 3.738 ( 0.000 0.681 0.000) 0.681 3.839 ( 0.000 -6.629 0.000) 6.629 3.898 ( 0.000 -3.090 0.000) 3.090 4.025 ( 0.000 -2.025 0.000) 2.025 4.039 ( 0.000 -3.090 0.000) 3.090 4.084 ( 0.000 -2.738 0.000) 2.738 4.109 ( 0.000 -2.385 0.000) 2.385 4.200 ( 0.000 4.736 0.000) 4.736 4.431 ( 0.000 -5.010 0.000) 5.010 4.445 ( 0.000 5.961 0.000) 5.961 4.567 ( 0.000 0.007 0.000) 0.007 4.746 ( 0.000 -1.270 0.000) 1.270 4.821 ( 0.000 -2.179 0.000) 2.179 5.144 ( 0.000 1.463 0.000) 1.463 5.163 ( 0.000 4.443 0.000) 4.443 5.168 ( 0.000 2.313 0.000) 2.313 5.240 ( 0.000 -0.761 0.000) 0.761 5.448 ( 0.000 0.278 0.000) 0.278 5.518 ( 0.000 2.143 0.000) 2.143 5.616 ( 0.000 2.579 0.000) 2.579 5.798 ( 0.000 -2.712 0.000) 2.712 5.890 ( 0.000 4.146 0.000) 4.146 5.986 ( 0.000 5.830 0.000) 5.830 6.018 ( 0.000 0.868 0.000) 0.868 6.061 ( 0.000 4.899 0.000) 4.899 6.270 ( 0.000 -1.658 0.000) 1.658 6.331 ( 0.000 -2.222 0.000) 2.222 6.370 ( 0.000 3.983 0.000) 3.983 6.405 ( 0.000 3.294 0.000) 3.294 6.588 ( 0.000 -5.164 0.000) 5.164 6.722 ( 0.000 -2.396 0.000) 2.396 6.829 ( 0.000 4.873 0.000) 4.873 6.927 ( 0.000 -0.696 0.000) 0.696 6.946 ( 0.000 -5.111 0.000) 5.111 7.081 ( 0.000 -3.142 0.000) 3.142 7.423 ( 0.000 -0.744 0.000) 0.744 7.443 ( 0.000 -0.606 0.000) 0.606 7.551 ( 0.000 0.883 0.000) 0.883 7.638 ( 0.000 -1.753 0.000) 1.753 7.823 ( 0.000 2.088 0.000) 2.088 7.904 ( 0.000 -0.710 0.000) 0.710 8.238 ( 0.000 4.357 0.000) 4.357 8.465 ( 0.000 -3.864 0.000) 3.864 11.079 ( 0.000 1.998 0.000) 1.998 11.207 ( 0.000 -2.426 0.000) 2.426 11.392 ( 0.000 0.474 0.000) 0.474 11.474 ( 0.000 -1.779 0.000) 1.779 11.586 ( 0.000 1.350 0.000) 1.350 11.620 ( 0.000 -0.303 0.000) 0.303 11.797 ( 0.000 1.361 0.000) 1.361 11.845 ( 0.000 -0.527 0.000) 0.527 12.265 ( 0.000 1.237 0.000) 1.237 12.312 ( 0.000 0.776 0.000) 0.776 12.349 ( 0.000 -0.127 0.000) 0.127 12.439 ( 0.000 -2.596 0.000) 2.596 12.518 ( 0.000 0.927 0.000) 0.927 12.527 ( 0.000 1.158 0.000) 1.158 12.591 ( 0.000 -0.109 0.000) 0.109 12.620 ( 0.000 -1.453 0.000) 1.453 12.628 ( 0.000 0.516 0.000) 0.516 12.685 ( 0.000 -1.117 0.000) 1.117 12.750 ( 0.000 0.840 0.000) 0.840 12.822 ( 0.000 -1.946 0.000) 1.946 12.901 ( 0.000 1.615 0.000) 1.615 12.940 ( 0.000 1.202 0.000) 1.202 12.953 ( 0.000 -0.396 0.000) 0.396 12.982 ( 0.000 -0.510 0.000) 0.510 13.305 ( 0.000 0.391 0.000) 0.391 13.333 ( 0.000 -0.664 0.000) 0.664 13.415 ( 0.000 1.136 0.000) 1.136 13.469 ( 0.000 -0.849 0.000) 0.849 13.939 ( 0.000 0.232 0.000) 0.232 13.946 ( 0.000 0.027 0.000) 0.027 14.128 ( 0.000 0.957 0.000) 0.957 14.182 ( 0.000 -0.943 0.000) 0.943 14.191 ( 0.000 0.674 0.000) 0.674 14.241 ( 0.000 -1.103 0.000) 1.103 14.341 ( 0.000 0.747 0.000) 0.747 14.380 ( 0.000 -0.683 0.000) 0.683 ======================= Grid point 10 (7/84) ======================= q-point: ( 0.11 0.25 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( 18.885 23.459 9.186) 31.486 1.007 ( 12.244 24.474 18.282) 32.910 1.618 ( 28.319 34.417 21.692) 49.569 1.986 ( 5.401 -19.732 3.510) 20.757 2.117 ( 4.696 -17.986 2.337) 18.735 2.629 ( -0.472 2.919 1.933) 3.532 2.738 ( -1.554 -4.540 -1.614) 5.063 2.923 ( -2.657 2.372 -5.594) 6.632 2.937 ( -2.219 1.258 -4.629) 5.286 3.054 ( 2.205 2.567 -0.285) 3.396 3.103 ( -0.287 -2.574 4.330) 5.045 3.114 ( 3.226 -3.262 -1.380) 4.791 3.202 ( 0.017 -3.098 3.474) 4.654 3.216 ( 3.949 0.459 -0.550) 4.013 3.322 ( 0.404 -2.224 -3.307) 4.006 3.576 ( -0.070 -7.638 1.589) 7.802 3.675 ( -2.145 2.319 0.374) 3.181 3.717 ( -0.345 -2.009 -2.485) 3.214 3.805 ( -1.914 -4.617 -2.056) 5.404 3.902 ( -1.778 -1.641 -4.047) 4.715 3.919 ( -3.017 -4.102 -2.071) 5.497 3.983 ( -2.291 -1.459 -3.102) 4.123 4.068 ( -1.230 -0.922 -0.644) 1.667 4.081 ( -2.013 0.131 -1.188) 2.341 4.307 ( 4.059 1.062 6.320) 7.586 4.418 ( -0.823 5.842 -2.129) 6.273 4.466 ( 0.483 -4.478 1.935) 4.902 4.573 ( -0.649 -1.911 2.164) 2.959 4.711 ( -2.858 -1.194 -1.802) 3.583 4.794 ( -3.050 -3.120 -0.870) 4.449 5.082 ( -3.229 1.837 -3.964) 5.432 5.129 ( -1.787 2.760 1.092) 3.464 5.187 ( -2.731 2.095 -1.357) 3.701 5.204 ( 1.300 2.302 -0.623) 2.716 5.495 ( 1.846 -1.039 2.457) 3.244 5.557 ( 0.881 -1.486 3.049) 3.504 5.653 ( 2.300 3.864 2.884) 5.342 5.803 ( -1.546 -1.534 -0.740) 2.300 5.901 ( 0.260 2.088 -1.395) 2.525 5.931 ( 0.999 3.140 -0.611) 3.351 6.003 ( -1.344 6.604 -1.177) 6.842 6.071 ( -1.250 4.347 1.642) 4.812 6.287 ( -0.172 -1.133 1.563) 1.938 6.332 ( 0.537 -1.927 1.077) 2.272 6.350 ( -0.500 4.022 -1.436) 4.300 6.445 ( 2.068 3.072 1.727) 4.086 6.586 ( 0.842 -4.581 -1.331) 4.844 6.707 ( -1.067 -3.392 -1.303) 3.787 6.831 ( -0.153 4.603 -0.222) 4.611 6.902 ( -3.783 -0.450 2.431) 4.519 6.936 ( -0.483 -3.778 -1.545) 4.110 7.095 ( 0.860 -3.197 1.204) 3.523 7.396 ( -0.385 -0.516 -2.308) 2.396 7.454 ( 1.727 -1.932 -1.612) 3.051 7.531 ( 0.869 1.448 -2.829) 3.294 7.609 ( 0.356 -1.102 -2.027) 2.335 7.869 ( 1.228 1.719 4.482) 4.955 7.931 ( -0.341 -0.581 -0.434) 0.801 8.261 ( 2.299 2.412 0.866) 3.443 8.445 ( -0.542 -3.603 -2.247) 4.280 11.092 ( 0.697 2.040 1.013) 2.382 11.217 ( 0.274 -2.079 1.024) 2.334 11.384 ( -0.190 -0.068 -1.120) 1.138 11.461 ( 0.277 -1.925 -2.155) 2.903 11.573 ( -1.050 1.721 -0.489) 2.074 11.630 ( 0.766 -0.424 0.096) 0.880 11.815 ( -0.243 0.002 1.558) 1.576 11.839 ( -0.388 -0.300 -0.186) 0.524 12.263 ( -0.260 1.410 0.169) 1.443 12.315 ( 0.032 0.778 0.504) 0.928 12.352 ( 0.331 -0.143 0.015) 0.360 12.432 ( -0.412 -1.746 -0.218) 1.807 12.505 ( -0.875 0.870 0.486) 1.326 12.532 ( 0.266 0.598 0.396) 0.765 12.589 ( -0.211 0.415 -0.153) 0.490 12.617 ( -0.286 -0.610 0.223) 0.710 12.647 ( 0.488 -0.589 0.917) 1.194 12.680 ( -0.265 -1.016 -0.350) 1.107 12.753 ( -0.003 0.820 0.332) 0.885 12.822 ( 0.252 -1.913 -0.350) 1.961 12.904 ( 0.278 1.705 0.025) 1.727 12.935 ( -0.144 1.064 -0.447) 1.163 12.957 ( 0.859 -0.372 -0.450) 1.039 12.980 ( 0.361 -0.662 -0.691) 1.022 13.311 ( 0.180 0.405 0.704) 0.832 13.338 ( 0.125 -0.624 0.604) 0.877 13.413 ( 0.107 1.119 -0.435) 1.205 13.465 ( -0.035 -0.827 -0.443) 0.939 13.934 ( -0.573 0.416 0.084) 0.713 13.950 ( 0.054 -0.167 0.306) 0.353 14.113 ( 0.507 0.879 -2.517) 2.714 14.161 ( 0.619 -1.128 -2.448) 2.766 14.217 ( -0.144 0.488 2.195) 2.253 14.261 ( -0.229 -1.219 2.440) 2.737 14.342 ( 0.061 0.616 0.077) 0.624 14.375 ( -0.362 -0.593 -0.253) 0.739 ======================= Grid point 11 (8/84) ======================= q-point: ( 0.22 0.25 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( 20.039 14.963 12.569) 27.990 1.507 ( 16.195 15.702 18.243) 29.011 2.150 ( 8.293 -12.627 2.723) 15.350 2.275 ( 9.447 -12.865 7.477) 17.626 2.408 ( 23.434 14.901 19.860) 34.141 2.646 ( -4.724 -0.658 -2.336) 5.310 2.691 ( 5.490 0.994 3.313) 6.489 2.771 ( -4.291 2.560 -4.859) 6.969 2.809 ( -2.110 2.540 -10.010) 10.540 3.021 ( -5.280 4.739 0.656) 7.125 3.123 ( 5.799 0.008 -6.704) 8.865 3.177 ( 3.956 -5.610 -2.966) 7.477 3.247 ( 2.487 1.241 -1.946) 3.393 3.304 ( 1.616 -1.870 6.162) 6.639 3.322 ( 1.364 -3.360 2.300) 4.294 3.560 ( -3.121 -8.700 2.200) 9.501 3.579 ( -2.375 -0.458 -8.722) 9.051 3.713 ( -2.958 -2.121 1.491) 3.934 3.728 ( -0.895 -0.776 -2.051) 2.369 3.784 ( -3.446 -1.409 -1.450) 3.995 3.868 ( -2.133 -4.677 -3.814) 6.401 3.911 ( -1.996 -0.438 -3.253) 3.841 4.058 ( -0.506 -2.595 1.938) 3.278 4.068 ( 0.224 -1.669 1.734) 2.418 4.342 ( -1.089 6.212 -2.748) 6.879 4.452 ( 1.478 -0.918 2.741) 3.247 4.489 ( -1.451 -2.035 1.659) 3.000 4.562 ( -3.703 -1.228 -0.038) 3.901 4.622 ( -4.336 0.456 -0.804) 4.434 4.731 ( -3.012 -5.000 1.642) 6.064 4.986 ( -2.533 2.113 -2.462) 4.116 5.106 ( -4.827 0.384 1.507) 5.071 5.155 ( 0.965 4.459 0.255) 4.570 5.201 ( 0.931 0.854 -2.184) 2.523 5.538 ( -0.363 -1.106 2.314) 2.591 5.601 ( -1.482 -3.202 -1.002) 3.668 5.710 ( 0.166 2.042 0.453) 2.098 5.743 ( -0.584 2.341 1.674) 2.937 5.888 ( 1.343 3.516 -1.257) 3.968 5.971 ( -1.253 5.765 0.922) 5.971 5.990 ( 1.808 -1.063 0.684) 2.205 6.074 ( 0.442 3.381 1.046) 3.566 6.266 ( -1.484 1.300 -2.116) 2.893 6.337 ( 0.006 0.266 0.302) 0.403 6.378 ( 0.195 -0.973 3.474) 3.613 6.502 ( 2.117 2.646 1.497) 3.704 6.579 ( 0.767 -1.370 -1.482) 2.159 6.661 ( -1.119 -4.506 -2.084) 5.089 6.812 ( -1.138 3.720 -0.548) 3.929 6.884 ( -3.471 1.808 1.812) 4.313 6.904 ( -0.750 -2.294 0.068) 2.414 7.133 ( 2.113 -2.962 0.300) 3.651 7.359 ( 0.106 -0.957 -2.516) 2.694 7.450 ( 1.820 -2.769 -2.883) 4.392 7.526 ( 2.407 1.388 -2.212) 3.552 7.597 ( 1.212 -1.404 -2.022) 2.744 7.886 ( -3.082 3.179 -0.610) 4.470 7.957 ( 1.093 0.247 5.280) 5.397 8.313 ( 2.522 -0.104 0.423) 2.559 8.393 ( -0.664 -2.715 -3.792) 4.710 11.124 ( 1.029 2.142 1.611) 2.871 11.239 ( 0.243 -1.066 1.574) 1.916 11.359 ( -0.370 -1.113 -1.756) 2.112 11.428 ( 0.505 -2.145 -3.610) 4.230 11.544 ( -1.342 2.416 -0.785) 2.873 11.638 ( 0.433 -0.901 -0.429) 1.088 11.821 ( -0.554 0.076 0.459) 0.723 11.836 ( -0.050 0.040 0.298) 0.305 12.265 ( 0.026 1.732 0.612) 1.837 12.329 ( 0.380 0.524 1.075) 1.254 12.359 ( 0.416 -0.069 0.053) 0.425 12.422 ( -0.360 -1.181 -0.420) 1.304 12.511 ( -0.166 0.026 1.437) 1.447 12.540 ( -0.508 -0.321 0.962) 1.134 12.585 ( -0.163 1.096 0.113) 1.114 12.618 ( -0.074 0.063 0.253) 0.271 12.658 ( 0.131 -0.732 -0.094) 0.749 12.667 ( -0.478 -0.879 -0.705) 1.224 12.758 ( -0.058 0.594 0.402) 0.720 12.819 ( 0.136 -1.766 -0.648) 1.886 12.905 ( 0.101 1.776 -0.478) 1.842 12.929 ( 0.082 0.948 0.028) 0.952 12.961 ( 0.812 -0.636 -1.276) 1.641 12.979 ( 0.799 -0.601 -0.543) 1.138 13.329 ( 0.435 0.418 1.287) 1.422 13.352 ( 0.226 -0.487 1.016) 1.149 13.408 ( 0.242 1.057 -0.674) 1.276 13.458 ( 0.113 -0.805 -0.577) 0.997 13.922 ( -0.927 0.664 -0.123) 1.147 13.956 ( -0.009 -0.546 0.652) 0.850 14.089 ( 0.695 0.653 -2.379) 2.563 14.131 ( 0.373 -0.855 -3.124) 3.260 14.248 ( -0.047 0.535 2.360) 2.421 14.282 ( -0.776 -0.864 1.866) 2.199 14.344 ( 0.004 0.295 0.144) 0.328 14.364 ( -0.431 -0.447 -0.222) 0.660 ======================= Grid point 12 (9/84) ======================= q-point: ( 0.33 0.25 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( 16.300 7.792 8.931) 20.153 1.983 ( 13.091 11.624 17.459) 24.725 2.270 ( 4.734 -5.763 -4.125) 8.522 2.440 ( -1.078 1.351 2.273) 2.856 2.544 ( -4.734 2.408 0.497) 5.335 2.628 ( -0.524 -0.665 -3.647) 3.744 2.653 ( -1.095 0.354 -4.794) 4.930 2.697 ( 8.145 -0.613 0.574) 8.188 2.967 ( -0.896 0.661 4.475) 4.612 3.058 ( 5.742 -1.897 -8.438) 10.381 3.141 ( 7.336 -4.413 -0.314) 8.567 3.233 ( 9.536 0.671 5.049) 10.811 3.255 ( -1.776 2.226 0.031) 2.847 3.341 ( 3.262 1.452 -0.290) 3.583 3.361 ( -1.632 -3.221 0.997) 3.746 3.466 ( -0.886 -4.723 -1.969) 5.193 3.597 ( 1.840 -8.277 4.032) 9.389 3.631 ( -0.926 -1.462 -3.045) 3.502 3.697 ( -0.760 0.294 -1.817) 1.991 3.749 ( -2.101 2.242 -2.548) 3.991 3.810 ( -3.634 -3.649 3.817) 6.410 3.838 ( -0.290 2.208 -1.709) 2.807 4.051 ( -5.464 -3.863 1.166) 6.793 4.099 ( -0.553 -1.512 2.520) 2.991 4.293 ( -3.545 1.943 -5.614) 6.918 4.398 ( -1.122 4.086 -1.453) 4.480 4.433 ( -3.694 -1.468 0.036) 3.975 4.509 ( -3.079 -0.668 0.599) 3.207 4.638 ( -0.194 1.073 5.494) 5.601 4.754 ( 1.161 -5.257 1.932) 5.720 4.947 ( -1.141 1.894 0.993) 2.424 5.037 ( -4.389 1.025 -0.026) 4.507 5.169 ( 2.300 -2.088 -5.027) 5.909 5.203 ( 1.198 2.429 1.700) 3.198 5.444 ( -6.113 1.480 -4.579) 7.780 5.596 ( 0.055 -0.092 2.469) 2.471 5.700 ( -0.438 3.223 -0.448) 3.283 5.788 ( -0.848 0.653 2.149) 2.401 5.885 ( -0.804 2.966 -2.178) 3.766 5.974 ( 1.978 -1.859 1.642) 3.173 6.023 ( 0.461 1.340 1.410) 1.999 6.102 ( 1.135 1.716 0.434) 2.103 6.229 ( -0.053 1.824 -0.990) 2.076 6.341 ( 0.614 -1.706 -0.686) 1.938 6.414 ( -1.111 0.467 3.232) 3.450 6.526 ( -0.502 1.284 -1.088) 1.757 6.583 ( 0.569 -0.077 0.776) 0.965 6.636 ( 0.614 -4.835 -1.175) 5.013 6.794 ( -1.431 3.132 1.380) 3.710 6.848 ( -2.154 1.206 0.748) 2.579 6.908 ( 0.121 2.046 0.438) 2.096 7.149 ( 1.395 -0.362 -2.618) 2.988 7.347 ( 0.550 -2.670 0.250) 2.737 7.445 ( 1.924 -3.185 -2.270) 4.359 7.535 ( 2.063 0.954 -2.121) 3.109 7.589 ( 0.915 -1.060 -1.753) 2.244 7.840 ( -2.338 4.712 0.454) 5.280 8.038 ( 0.606 -1.962 4.736) 5.162 8.325 ( -0.341 -1.109 -3.937) 4.104 8.350 ( 1.362 -1.149 -0.512) 1.854 11.162 ( 0.866 2.301 1.604) 2.935 11.261 ( 0.108 0.637 0.875) 1.088 11.332 ( -0.971 -2.467 -0.301) 2.668 11.387 ( 0.972 -2.044 -4.106) 4.688 11.517 ( -0.631 2.382 -0.545) 2.524 11.631 ( -0.123 -1.403 -0.874) 1.657 11.818 ( -0.331 0.304 0.240) 0.509 11.840 ( -0.016 0.141 0.265) 0.300 12.282 ( 0.594 1.808 1.039) 2.168 12.350 ( 0.399 -0.390 0.656) 0.861 12.367 ( 0.288 0.509 0.461) 0.745 12.411 ( -0.189 -0.871 -0.541) 1.043 12.533 ( 0.159 -0.267 1.610) 1.640 12.548 ( -0.341 -0.178 1.781) 1.822 12.586 ( -0.139 0.770 0.430) 0.893 12.618 ( 0.039 0.410 -0.367) 0.551 12.643 ( -0.603 -0.672 -1.290) 1.574 12.650 ( -0.473 -0.680 -0.923) 1.240 12.760 ( -0.147 0.369 0.189) 0.440 12.811 ( -0.059 -1.557 -0.541) 1.650 12.896 ( -0.049 1.322 -0.654) 1.476 12.937 ( 0.073 1.131 0.680) 1.322 12.952 ( 0.601 -1.088 -1.507) 1.954 12.988 ( 0.805 -0.062 -0.389) 0.896 13.356 ( 0.485 0.357 1.427) 1.549 13.368 ( 0.070 -0.216 0.766) 0.799 13.403 ( 0.320 1.002 -0.727) 1.278 13.456 ( 0.362 -0.839 -0.296) 0.960 13.903 ( -0.911 1.018 -0.304) 1.399 13.968 ( 0.084 -1.211 1.140) 1.665 14.070 ( 0.432 0.188 -1.952) 2.008 14.095 ( 0.200 -0.348 -2.613) 2.644 14.274 ( -0.053 0.299 1.552) 1.582 14.287 ( -0.918 -0.296 0.991) 1.382 14.347 ( 0.013 0.070 0.157) 0.173 14.358 ( -0.173 -0.288 0.036) 0.338 ======================= Grid point 13 (10/84) ======================= q-point: ( 0.44 0.25 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( 5.555 1.824 -2.256) 6.267 2.203 ( -0.057 0.600 1.252) 1.389 2.346 ( 6.087 7.890 11.701) 15.369 2.423 ( -2.144 9.260 -2.308) 9.781 2.482 ( -1.912 5.366 0.749) 5.746 2.591 ( 0.959 3.067 -3.242) 4.564 2.627 ( 1.279 0.387 -1.664) 2.134 2.804 ( 1.927 -3.203 0.985) 3.865 3.034 ( 7.899 -1.687 -5.563) 9.808 3.102 ( -1.820 -4.457 5.557) 7.352 3.124 ( 0.102 -1.905 0.389) 1.947 3.213 ( 1.155 -3.287 0.870) 3.591 3.281 ( -2.811 -0.255 -1.887) 3.395 3.292 ( 1.131 -10.095 -1.960) 10.345 3.363 ( -5.648 -3.093 -3.817) 7.485 3.578 ( 5.125 -4.531 3.231) 7.565 3.625 ( 3.234 -1.429 -0.126) 3.538 3.634 ( -1.742 0.228 1.023) 2.033 3.664 ( 2.667 -1.379 -4.841) 5.697 3.763 ( -0.310 -3.765 -0.917) 3.888 3.838 ( 3.287 -2.965 5.656) 7.182 3.859 ( -2.161 0.964 3.597) 4.306 3.948 ( -4.181 2.519 -1.150) 5.015 4.104 ( -2.747 0.335 1.806) 3.305 4.118 ( -3.583 3.144 -4.474) 6.537 4.376 ( -1.261 -4.096 0.765) 4.353 4.441 ( 0.643 4.364 -0.985) 4.520 4.475 ( -1.350 6.838 1.275) 7.086 4.718 ( 0.838 -1.997 4.920) 5.376 4.770 ( 0.917 -3.515 -2.502) 4.411 4.951 ( -3.440 0.182 4.477) 5.649 4.984 ( 0.894 -2.604 -3.882) 4.759 5.113 ( 1.082 2.679 -4.927) 5.711 5.256 ( 0.387 -0.837 2.800) 2.948 5.341 ( -1.410 7.168 -0.996) 7.373 5.628 ( 1.608 -1.050 1.029) 2.179 5.686 ( -1.088 0.034 0.498) 1.197 5.734 ( -4.403 -4.136 -2.458) 6.522 5.880 ( 2.327 5.997 0.613) 6.462 6.005 ( -1.118 4.240 -0.305) 4.396 6.050 ( 0.415 -0.151 1.530) 1.592 6.142 ( 2.786 -1.415 0.783) 3.221 6.226 ( -0.361 1.232 0.058) 1.286 6.325 ( -0.309 -2.380 -1.358) 2.758 6.446 ( 0.338 1.158 2.300) 2.597 6.487 ( -1.054 0.936 -1.715) 2.220 6.587 ( -1.124 -3.849 0.694) 4.069 6.630 ( 0.441 -4.729 -1.271) 4.916 6.805 ( -0.165 3.495 1.400) 3.769 6.843 ( -0.549 1.314 1.290) 1.922 6.914 ( 0.491 4.321 -0.422) 4.369 7.124 ( 0.128 2.910 -1.848) 3.450 7.369 ( 0.429 -4.261 0.955) 4.388 7.447 ( 0.861 -3.492 -0.839) 3.693 7.534 ( 0.744 0.863 -1.160) 1.626 7.581 ( 0.309 -0.806 -0.796) 1.174 7.823 ( -0.721 4.994 0.425) 5.064 8.098 ( 0.227 -4.625 2.611) 5.316 8.271 ( -0.208 1.338 -2.562) 2.898 8.362 ( 0.467 -1.538 -0.172) 1.617 11.189 ( 0.310 2.486 0.779) 2.623 11.263 ( 0.133 1.422 -0.509) 1.516 11.329 ( -1.626 -2.291 2.843) 3.997 11.353 ( 1.455 -2.077 -3.864) 4.622 11.510 ( 0.064 1.664 -0.083) 1.667 11.617 ( -0.230 -1.787 -0.528) 1.878 11.816 ( -0.171 0.647 0.095) 0.676 11.842 ( -0.016 -0.022 0.082) 0.087 12.306 ( 0.557 1.557 0.734) 1.809 12.353 ( -0.104 -0.127 -0.212) 0.268 12.378 ( 0.069 0.239 0.406) 0.476 12.404 ( 0.018 -0.772 -0.236) 0.808 12.558 ( 0.415 0.372 1.497) 1.597 12.576 ( 0.284 -0.224 1.833) 1.868 12.590 ( -0.245 -0.078 0.315) 0.407 12.603 ( -0.183 0.142 -1.390) 1.409 12.621 ( -0.236 -0.282 -0.903) 0.975 12.625 ( -0.550 -0.386 -0.900) 1.124 12.758 ( -0.107 0.320 -0.027) 0.338 12.805 ( -0.053 -1.461 -0.158) 1.470 12.890 ( -0.015 1.139 -0.235) 1.163 12.942 ( -0.227 -1.286 0.075) 1.308 12.948 ( 0.479 1.147 -0.351) 1.291 12.992 ( 0.302 0.233 -0.195) 0.428 13.374 ( -0.043 0.029 0.208) 0.214 13.378 ( 0.186 0.008 0.948) 0.966 13.398 ( 0.173 1.278 -0.638) 1.439 13.460 ( 0.232 -0.877 -0.025) 0.907 13.889 ( -0.389 1.275 -0.163) 1.343 13.988 ( 0.153 -2.320 1.174) 2.605 14.045 ( -0.147 0.406 -1.690) 1.744 14.077 ( 0.238 -0.071 -0.726) 0.767 14.284 ( -0.380 -0.030 0.331) 0.505 14.287 ( -0.064 -0.101 0.493) 0.508 14.348 ( 0.028 0.212 0.071) 0.225 14.358 ( -0.021 -0.052 0.068) 0.088 ======================= Grid point 18 (11/84) ======================= q-point: ( 0.00 -0.50 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( 0.000 -28.555 0.000) 28.555 1.348 ( 0.000 28.555 0.000) 28.555 1.480 ( 0.000 -29.118 0.000) 29.118 1.480 ( 0.000 29.118 0.000) 29.118 2.263 ( 0.000 -42.217 0.000) 42.217 2.263 ( 0.000 42.217 0.000) 42.217 2.699 ( 0.000 -4.339 0.000) 4.339 2.699 ( 0.000 4.339 0.000) 4.339 3.011 ( 0.000 -1.254 0.000) 1.254 3.011 ( 0.000 1.254 0.000) 1.254 3.123 ( 0.000 -3.065 0.000) 3.065 3.123 ( 0.000 3.065 0.000) 3.065 3.223 ( 0.000 -2.474 0.000) 2.474 3.223 ( 0.000 2.474 0.000) 2.474 3.364 ( 0.000 -6.869 0.000) 6.869 3.364 ( 0.000 6.869 0.000) 6.869 3.749 ( 0.000 -2.606 0.000) 2.606 3.749 ( 0.000 2.606 0.000) 2.606 3.841 ( 0.000 -5.269 0.000) 5.269 3.841 ( 0.000 5.269 0.000) 5.269 3.988 ( 0.000 -0.758 0.000) 0.758 3.988 ( 0.000 0.758 0.000) 0.758 4.062 ( 0.000 -0.885 0.000) 0.885 4.062 ( 0.000 0.885 0.000) 0.885 4.317 ( 0.000 -5.525 0.000) 5.525 4.317 ( 0.000 5.525 0.000) 5.525 4.546 ( 0.000 -3.094 0.000) 3.094 4.546 ( 0.000 3.094 0.000) 3.094 4.745 ( 0.000 -1.799 0.000) 1.799 4.745 ( 0.000 1.799 0.000) 1.799 5.180 ( 0.000 -1.730 0.000) 1.730 5.180 ( 0.000 1.730 0.000) 1.730 5.235 ( 0.000 -0.812 0.000) 0.812 5.235 ( 0.000 0.812 0.000) 0.812 5.481 ( 0.000 -2.816 0.000) 2.816 5.481 ( 0.000 2.816 0.000) 2.816 5.715 ( 0.000 -4.781 0.000) 4.781 5.715 ( 0.000 4.781 0.000) 4.781 5.980 ( 0.000 -3.276 0.000) 3.276 5.980 ( 0.000 3.276 0.000) 3.276 6.124 ( 0.000 -3.149 0.000) 3.149 6.124 ( 0.000 3.149 0.000) 3.149 6.256 ( 0.000 -1.944 0.000) 1.944 6.256 ( 0.000 1.944 0.000) 1.944 6.458 ( 0.000 -0.789 0.000) 0.789 6.458 ( 0.000 0.789 0.000) 0.789 6.580 ( 0.000 -8.239 0.000) 8.239 6.580 ( 0.000 8.239 0.000) 8.239 6.900 ( 0.000 -1.180 0.000) 1.180 6.900 ( 0.000 1.180 0.000) 1.180 6.967 ( 0.000 -6.560 0.000) 6.560 6.967 ( 0.000 6.560 0.000) 6.560 7.423 ( 0.000 -0.758 0.000) 0.758 7.423 ( 0.000 0.758 0.000) 0.758 7.590 ( 0.000 -2.324 0.000) 2.324 7.590 ( 0.000 2.324 0.000) 2.324 7.872 ( 0.000 -2.095 0.000) 2.095 7.872 ( 0.000 2.095 0.000) 2.095 8.355 ( 0.000 -5.814 0.000) 5.814 8.355 ( 0.000 5.814 0.000) 5.814 11.139 ( 0.000 -3.315 0.000) 3.315 11.139 ( 0.000 3.315 0.000) 3.315 11.426 ( 0.000 -2.275 0.000) 2.275 11.426 ( 0.000 2.275 0.000) 2.275 11.609 ( 0.000 -0.768 0.000) 0.768 11.609 ( 0.000 0.768 0.000) 0.768 11.827 ( 0.000 -1.170 0.000) 1.170 11.827 ( 0.000 1.170 0.000) 1.170 12.297 ( 0.000 -1.537 0.000) 1.537 12.297 ( 0.000 1.537 0.000) 1.537 12.381 ( 0.000 -2.523 0.000) 2.523 12.381 ( 0.000 2.523 0.000) 2.523 12.537 ( 0.000 -0.414 0.000) 0.414 12.537 ( 0.000 0.414 0.000) 0.414 12.594 ( 0.000 -0.628 0.000) 0.628 12.594 ( 0.000 0.628 0.000) 0.628 12.651 ( 0.000 -1.536 0.000) 1.536 12.651 ( 0.000 1.536 0.000) 1.536 12.781 ( 0.000 -1.758 0.000) 1.758 12.781 ( 0.000 1.758 0.000) 1.758 12.934 ( 0.000 -1.318 0.000) 1.318 12.934 ( 0.000 1.318 0.000) 1.318 12.966 ( 0.000 -1.014 0.000) 1.014 12.966 ( 0.000 1.014 0.000) 1.014 13.317 ( 0.000 -0.724 0.000) 0.724 13.317 ( 0.000 0.724 0.000) 0.724 13.444 ( 0.000 -1.369 0.000) 1.369 13.444 ( 0.000 1.369 0.000) 1.369 13.944 ( 0.000 -0.192 0.000) 0.192 13.944 ( 0.000 0.192 0.000) 0.192 14.155 ( 0.000 -1.415 0.000) 1.415 14.155 ( 0.000 1.415 0.000) 1.415 14.213 ( 0.000 -1.264 0.000) 1.264 14.213 ( 0.000 1.264 0.000) 1.264 14.361 ( 0.000 -0.989 0.000) 0.989 14.361 ( 0.000 0.989 0.000) 0.989 ======================= Grid point 20 (12/84) ======================= q-point: ( 0.11 -0.50 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( 10.445 -22.309 7.883) 25.864 1.499 ( 10.445 22.309 7.883) 25.864 1.597 ( 8.288 -24.806 6.941) 27.059 1.597 ( 8.288 24.806 6.941) 27.059 2.461 ( 12.658 -35.092 11.199) 38.950 2.461 ( 12.658 35.092 11.199) 38.950 2.684 ( -0.043 -3.666 -0.983) 3.796 2.684 ( -0.043 3.666 -0.983) 3.796 2.971 ( -4.661 -1.668 -1.149) 5.082 2.971 ( -4.661 1.668 -1.149) 5.082 3.113 ( 2.812 -1.875 -3.986) 5.226 3.113 ( 2.812 1.875 -3.986) 5.226 3.232 ( 0.428 -1.249 0.735) 1.511 3.232 ( 0.428 1.249 0.735) 1.511 3.357 ( 0.137 -8.717 -1.751) 8.893 3.357 ( 0.137 8.717 -1.751) 8.893 3.734 ( -2.037 -2.751 0.373) 3.443 3.734 ( -2.037 2.751 0.373) 3.443 3.793 ( -1.776 -6.753 -5.017) 8.598 3.793 ( -1.776 6.753 -5.017) 8.598 3.931 ( -1.212 -2.736 -3.992) 4.989 3.931 ( -1.212 2.736 -3.992) 4.989 4.076 ( -1.941 -1.119 2.200) 3.140 4.076 ( -1.941 1.119 2.200) 3.140 4.364 ( 2.089 -4.090 3.522) 5.788 4.364 ( 2.089 4.090 3.522) 5.788 4.528 ( -1.924 -3.558 0.251) 4.052 4.528 ( -1.924 3.558 0.251) 4.052 4.712 ( -2.758 -2.208 -1.420) 3.808 4.712 ( -2.758 2.208 -1.420) 3.808 5.126 ( -3.876 -1.961 -1.457) 4.582 5.126 ( -3.876 1.961 -1.457) 4.582 5.240 ( 0.718 -0.927 -1.023) 1.556 5.240 ( 0.718 0.927 -1.023) 1.556 5.501 ( 0.596 -2.126 2.196) 3.114 5.501 ( 0.596 2.126 2.196) 3.114 5.744 ( 0.702 -3.914 1.713) 4.330 5.744 ( 0.702 3.914 1.713) 4.330 5.951 ( -0.267 -1.591 -1.755) 2.384 5.951 ( -0.267 1.591 -1.755) 2.384 6.126 ( -0.536 -2.323 -0.367) 2.412 6.126 ( -0.536 2.323 -0.367) 2.412 6.274 ( 0.050 -1.751 1.857) 2.553 6.274 ( 0.050 1.751 1.857) 2.553 6.465 ( 1.696 -3.017 -1.107) 3.634 6.465 ( 1.696 3.017 -1.107) 3.634 6.572 ( -0.660 -6.264 -0.074) 6.299 6.572 ( -0.660 6.264 -0.074) 6.299 6.885 ( -1.273 -0.599 -0.378) 1.457 6.885 ( -1.273 0.599 -0.378) 1.457 6.979 ( 0.044 -6.620 1.606) 6.812 6.979 ( 0.044 6.620 1.606) 6.812 7.410 ( 0.443 -1.706 -2.334) 2.925 7.410 ( 0.443 1.706 -2.334) 2.925 7.572 ( 0.539 -2.061 -2.222) 3.078 7.572 ( 0.539 2.061 -2.222) 3.078 7.909 ( 0.648 -1.600 3.029) 3.487 7.909 ( 0.648 1.600 3.029) 3.487 8.347 ( 0.315 -4.892 -1.406) 5.100 8.347 ( 0.315 4.892 -1.406) 5.100 11.152 ( 0.626 -3.300 1.166) 3.556 11.152 ( 0.626 3.300 1.166) 3.556 11.412 ( -0.115 -2.239 -1.928) 2.957 11.412 ( -0.115 2.239 -1.928) 2.957 11.609 ( -0.192 -1.424 0.039) 1.438 11.609 ( -0.192 1.424 0.039) 1.438 11.828 ( -0.113 -0.741 0.240) 0.787 11.828 ( -0.113 0.741 0.240) 0.787 12.300 ( 0.099 -1.683 0.250) 1.705 12.300 ( 0.099 1.683 0.250) 1.705 12.382 ( -0.033 -2.389 0.188) 2.397 12.382 ( -0.033 2.389 0.188) 2.397 12.528 ( -0.847 -0.898 0.204) 1.251 12.528 ( -0.847 0.898 0.204) 1.251 12.603 ( 0.450 -0.720 0.431) 0.953 12.603 ( 0.450 0.720 0.431) 0.953 12.651 ( 0.015 -1.093 -0.088) 1.097 12.651 ( 0.015 1.093 -0.088) 1.097 12.782 ( 0.135 -1.711 -0.065) 1.717 12.782 ( 0.135 1.711 -0.065) 1.717 12.938 ( 0.361 -1.328 0.151) 1.384 12.938 ( 0.361 1.328 0.151) 1.384 12.961 ( 0.193 -1.078 -0.912) 1.425 12.961 ( 0.193 1.078 -0.912) 1.425 13.323 ( 0.160 -0.685 0.697) 0.990 13.323 ( 0.160 0.685 0.697) 0.990 13.441 ( 0.043 -1.322 -0.445) 1.395 13.441 ( 0.043 1.322 -0.445) 1.395 13.944 ( -0.305 -0.387 0.224) 0.541 13.944 ( -0.305 0.387 0.224) 0.541 14.137 ( 0.503 -1.199 -2.655) 2.956 14.137 ( 0.503 1.199 -2.655) 2.956 14.234 ( -0.173 -1.093 2.504) 2.738 14.234 ( -0.173 1.093 2.504) 2.738 14.359 ( -0.169 -0.816 -0.119) 0.842 14.359 ( -0.169 0.816 -0.119) 0.842 ======================= Grid point 22 (13/84) ======================= q-point: ( 0.22 -0.50 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( 14.523 -15.926 6.888) 22.627 1.813 ( 14.523 15.926 6.888) 22.627 1.910 ( 11.909 -18.183 13.897) 25.799 1.910 ( 11.909 18.183 13.897) 25.799 2.634 ( 0.385 -2.129 -1.733) 2.772 2.634 ( 0.385 2.129 -1.733) 2.772 2.782 ( -2.209 -6.962 -1.186) 7.400 2.782 ( -2.209 6.962 -1.186) 7.400 2.960 ( 10.321 -14.504 5.939) 18.766 2.960 ( 10.321 14.504 5.939) 18.766 3.119 ( 5.716 -5.576 -2.934) 8.507 3.119 ( 5.716 5.576 -2.934) 8.507 3.234 ( -1.272 -6.324 -0.007) 6.450 3.234 ( -1.272 6.324 -0.007) 6.450 3.323 ( -2.302 -7.450 1.077) 7.871 3.323 ( -2.302 7.450 1.077) 7.871 3.656 ( -2.367 -5.405 -7.438) 9.494 3.656 ( -2.367 5.405 -7.438) 9.494 3.725 ( -1.497 -1.210 0.888) 2.120 3.725 ( -1.497 1.210 0.888) 2.120 3.865 ( -1.203 -3.150 -2.993) 4.509 3.865 ( -1.203 3.150 -2.993) 4.509 4.061 ( -2.448 -2.110 1.887) 3.743 4.061 ( -2.448 2.110 1.887) 3.743 4.422 ( -0.124 -1.366 -0.429) 1.437 4.422 ( -0.124 1.366 -0.429) 1.437 4.506 ( -1.611 -3.882 0.899) 4.298 4.506 ( -1.611 3.882 0.899) 4.298 4.644 ( -3.525 -2.513 1.297) 4.520 4.644 ( -3.525 2.513 1.297) 4.520 5.052 ( -3.113 -3.634 -0.933) 4.876 5.052 ( -3.113 3.634 -0.933) 4.876 5.224 ( -0.536 -1.387 -1.464) 2.086 5.224 ( -0.536 1.387 -1.464) 2.086 5.542 ( -0.342 -1.916 2.452) 3.131 5.542 ( -0.342 1.916 2.452) 3.131 5.753 ( -0.732 -1.320 0.828) 1.722 5.753 ( -0.732 1.320 0.828) 1.722 5.949 ( 0.895 -2.569 -0.897) 2.865 5.949 ( 0.895 2.569 -0.897) 2.865 6.099 ( -0.343 -2.646 -1.340) 2.985 6.099 ( -0.343 2.646 -1.340) 2.985 6.289 ( -0.398 -2.109 0.579) 2.223 6.289 ( -0.398 2.109 0.579) 2.223 6.473 ( 0.253 -7.181 -0.126) 7.186 6.473 ( 0.253 7.181 -0.126) 7.186 6.573 ( 0.276 -1.280 0.642) 1.458 6.573 ( 0.276 1.280 0.642) 1.458 6.857 ( -1.650 -1.149 -0.047) 2.011 6.857 ( -1.650 1.149 -0.047) 2.011 7.009 ( 0.990 -7.461 1.478) 7.670 7.009 ( 0.990 7.461 1.478) 7.670 7.383 ( 1.085 -2.787 -3.247) 4.414 7.383 ( 1.085 2.787 -3.247) 4.414 7.562 ( 1.511 -1.758 -1.946) 3.027 7.562 ( 1.511 1.758 -1.946) 3.027 7.946 ( -1.105 -1.678 2.876) 3.508 7.946 ( -1.105 1.678 2.876) 3.508 8.333 ( 0.960 -2.157 -2.055) 3.130 8.333 ( 0.960 2.157 -2.055) 3.130 11.186 ( 0.806 -3.222 2.001) 3.878 11.186 ( 0.806 3.222 2.001) 3.878 11.375 ( -0.037 -2.166 -3.132) 3.809 11.375 ( -0.037 2.166 -3.132) 3.809 11.600 ( -0.643 -2.448 -0.407) 2.563 11.600 ( -0.643 2.448 -0.407) 2.563 11.830 ( -0.026 -0.545 0.251) 0.601 11.830 ( -0.026 0.545 0.251) 0.601 12.309 ( 0.382 -1.912 0.539) 2.023 12.309 ( 0.382 1.912 0.539) 2.023 12.385 ( -0.018 -1.935 0.202) 1.945 12.385 ( -0.018 1.935 0.202) 1.945 12.524 ( -0.698 -0.944 1.145) 1.640 12.524 ( -0.698 0.944 1.145) 1.640 12.613 ( 0.108 -1.015 0.254) 1.052 12.613 ( 0.108 1.015 0.254) 1.052 12.647 ( 0.013 -0.145 -0.564) 0.583 12.647 ( 0.013 0.145 -0.564) 0.583 12.782 ( 0.036 -1.524 -0.164) 1.533 12.782 ( 0.036 1.524 -0.164) 1.533 12.939 ( -0.163 -1.190 -0.753) 1.418 12.939 ( -0.163 1.190 -0.753) 1.418 12.958 ( 0.955 -1.246 -0.365) 1.612 12.958 ( 0.955 1.246 -0.365) 1.612 13.340 ( 0.354 -0.570 1.212) 1.385 13.340 ( 0.354 0.570 1.212) 1.385 13.435 ( 0.172 -1.274 -0.648) 1.439 13.435 ( 0.172 1.274 -0.648) 1.439 13.940 ( -0.603 -0.872 0.324) 1.109 13.940 ( -0.603 0.872 0.324) 1.109 14.109 ( 0.617 -1.072 -2.851) 3.108 14.109 ( 0.617 1.072 -2.851) 3.108 14.263 ( -0.332 -0.824 2.260) 2.428 14.263 ( -0.332 0.824 2.260) 2.428 14.353 ( -0.253 -0.515 -0.107) 0.584 14.353 ( -0.253 0.515 -0.107) 0.584 ======================= Grid point 24 (14/84) ======================= q-point: ( 0.33 -0.50 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( 11.494 -9.336 2.560) 15.028 2.102 ( 11.494 9.336 2.560) 15.028 2.277 ( 9.545 -13.360 13.056) 20.977 2.277 ( 9.545 13.360 13.056) 20.977 2.594 ( -1.086 -2.817 -1.598) 3.416 2.594 ( -1.086 2.817 -1.598) 3.416 2.701 ( -1.653 -0.498 -1.893) 2.562 2.701 ( -1.653 0.498 -1.893) 2.562 3.008 ( 4.837 -2.053 -6.259) 8.172 3.008 ( 4.837 2.053 -6.259) 8.172 3.161 ( -4.010 -7.597 -1.642) 8.746 3.161 ( -4.010 7.597 -1.642) 8.746 3.267 ( 0.677 -2.798 0.416) 2.909 3.267 ( 0.677 2.798 0.416) 2.909 3.435 ( 7.893 -2.790 7.450) 11.207 3.435 ( 7.893 2.790 7.450) 11.207 3.517 ( -3.523 -4.956 -5.420) 8.145 3.517 ( -3.523 4.956 -5.420) 8.145 3.715 ( -0.404 -2.364 -0.895) 2.560 3.715 ( -0.404 2.364 -0.895) 2.560 3.833 ( 0.356 -3.448 0.072) 3.467 3.833 ( 0.356 3.448 0.072) 3.467 4.064 ( -2.543 -3.701 3.921) 5.962 4.064 ( -2.543 3.701 3.921) 5.962 4.332 ( -4.891 -3.205 -4.407) 7.322 4.332 ( -4.891 3.205 -4.407) 7.322 4.502 ( 0.672 -1.616 1.407) 2.246 4.502 ( 0.672 1.616 1.407) 2.246 4.665 ( -0.301 -2.537 3.664) 4.467 4.665 ( -0.301 2.537 3.664) 4.467 4.993 ( -2.472 -2.875 -1.484) 4.072 4.993 ( -2.472 2.875 -1.484) 4.072 5.197 ( -0.331 -2.682 -0.827) 2.826 5.197 ( -0.331 2.682 -0.827) 2.826 5.540 ( -1.363 -5.416 0.267) 5.591 5.540 ( -1.363 5.416 0.267) 5.591 5.754 ( -2.552 -2.942 0.410) 3.917 5.754 ( -2.552 2.942 0.410) 3.917 5.939 ( 1.932 -1.712 -0.753) 2.689 5.939 ( 1.932 1.712 -0.753) 2.689 6.100 ( 0.655 -2.856 0.003) 2.930 6.100 ( 0.655 2.856 0.003) 2.930 6.281 ( 0.015 -2.977 -0.977) 3.133 6.281 ( 0.015 2.977 -0.977) 3.133 6.479 ( -1.126 -6.109 2.098) 6.557 6.479 ( -1.126 6.109 2.098) 6.557 6.574 ( -0.542 -1.827 -0.900) 2.108 6.574 ( -0.542 1.827 -0.900) 2.108 6.841 ( -0.767 -1.385 0.917) 1.830 6.841 ( -0.767 1.385 0.917) 1.830 7.045 ( 1.590 -8.038 0.534) 8.211 7.045 ( 1.590 8.038 0.534) 8.211 7.364 ( 1.133 -3.541 -2.140) 4.289 7.364 ( 1.133 3.541 -2.140) 4.289 7.561 ( 1.303 -1.378 -1.713) 2.556 7.561 ( 1.303 1.378 -1.713) 2.556 7.957 ( -1.442 -5.272 2.196) 5.891 7.957 ( -1.442 5.272 2.196) 5.891 8.323 ( 0.991 -0.933 -1.853) 2.299 8.323 ( 0.991 0.933 -1.853) 2.299 11.227 ( 0.406 -3.242 2.488) 4.106 11.227 ( 0.406 3.242 2.488) 4.106 11.333 ( 0.394 -2.220 -3.363) 4.049 11.333 ( 0.394 2.220 -3.363) 4.049 11.580 ( -0.787 -2.997 -0.632) 3.163 11.580 ( -0.787 2.997 -0.632) 3.163 11.833 ( -0.017 -0.746 0.157) 0.763 11.833 ( -0.017 0.746 0.157) 0.763 12.325 ( 0.589 -1.813 0.632) 2.008 12.325 ( 0.589 1.813 0.632) 2.008 12.387 ( -0.016 -1.164 0.094) 1.168 12.387 ( -0.016 1.164 0.094) 1.168 12.538 ( -0.226 -0.565 2.039) 2.128 12.538 ( -0.226 0.565 2.039) 2.128 12.612 ( -0.186 -1.352 -0.257) 1.388 12.612 ( -0.186 1.352 -0.257) 1.388 12.634 ( -0.165 -0.556 -1.182) 1.316 12.634 ( -0.165 0.556 -1.182) 1.316 12.779 ( -0.099 -1.273 -0.169) 1.288 12.779 ( -0.099 1.273 -0.169) 1.288 12.923 ( -0.152 -1.228 -0.915) 1.539 12.923 ( -0.152 1.228 -0.915) 1.539 12.972 ( 0.792 -1.345 0.001) 1.561 12.972 ( 0.792 1.345 0.001) 1.561 13.362 ( 0.299 -0.263 1.106) 1.176 13.362 ( 0.299 0.263 1.106) 1.176 13.431 ( 0.346 -1.366 -0.476) 1.488 13.431 ( 0.346 1.366 -0.476) 1.488 13.934 ( -0.608 -1.692 0.367) 1.835 13.934 ( -0.608 1.692 0.367) 1.835 14.082 ( 0.410 -0.732 -2.330) 2.476 14.082 ( 0.410 0.732 -2.330) 2.476 14.280 ( -0.497 -0.278 1.323) 1.440 14.280 ( -0.497 0.278 1.323) 1.440 14.351 ( -0.004 -0.302 0.128) 0.328 14.351 ( -0.004 0.302 0.128) 0.328 ======================= Grid point 26 (15/84) ======================= q-point: ( 0.44 -0.50 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( 2.605 -1.120 -1.756) 3.335 2.206 ( 2.605 1.120 -1.756) 3.335 2.525 ( 3.363 -6.643 6.743) 10.045 2.525 ( 3.363 6.643 6.743) 10.045 2.591 ( -0.511 -3.535 0.701) 3.640 2.591 ( -0.511 3.535 0.701) 3.640 2.674 ( 1.735 -8.458 -1.222) 8.720 2.674 ( 1.735 8.458 -1.222) 8.720 3.071 ( 3.690 -2.497 -3.757) 5.828 3.071 ( 3.690 2.497 -3.757) 5.828 3.082 ( 1.482 -3.949 1.515) 4.482 3.082 ( 1.482 3.949 1.515) 4.482 3.226 ( -4.357 -5.921 -0.521) 7.370 3.226 ( -4.357 5.921 -0.521) 7.370 3.392 ( -3.835 -8.948 -1.779) 9.897 3.392 ( -3.835 8.948 -1.779) 9.897 3.608 ( 5.850 -1.138 0.063) 5.960 3.608 ( 5.850 1.138 0.063) 5.960 3.701 ( -0.276 -2.619 0.136) 2.637 3.701 ( -0.276 2.619 0.136) 2.637 3.844 ( -0.809 -1.278 0.748) 1.687 3.844 ( -0.809 1.278 0.748) 1.687 4.046 ( -2.807 -4.782 0.328) 5.555 4.046 ( -2.807 4.782 0.328) 5.555 4.238 ( -1.734 -6.601 -0.277) 6.831 4.238 ( -1.734 6.601 -0.277) 6.831 4.553 ( 1.144 -4.284 1.732) 4.761 4.553 ( 1.144 4.284 1.732) 4.761 4.693 ( 0.177 -3.051 0.805) 3.160 4.693 ( 0.177 3.051 0.805) 3.160 4.938 ( -1.380 -0.785 -1.318) 2.063 4.938 ( -1.380 0.785 -1.318) 2.063 5.205 ( 1.046 -3.730 0.411) 3.896 5.205 ( 1.046 3.730 0.411) 3.896 5.540 ( 0.798 -8.448 0.927) 8.536 5.540 ( 0.798 8.448 0.927) 8.536 5.664 ( -4.230 -1.931 -2.476) 5.268 5.664 ( -4.230 1.931 -2.476) 5.268 6.018 ( 3.977 -3.673 2.747) 6.071 6.018 ( 3.977 3.673 2.747) 6.071 6.091 ( -1.181 -3.594 -1.258) 3.987 6.091 ( -1.181 3.594 -1.258) 3.987 6.267 ( -0.208 -2.509 -0.670) 2.605 6.267 ( -0.208 2.509 -0.670) 2.605 6.492 ( -0.722 -3.753 2.302) 4.461 6.492 ( -0.722 3.753 2.302) 4.461 6.534 ( -0.925 -2.974 -2.413) 3.940 6.534 ( -0.925 2.974 -2.413) 3.940 6.853 ( 0.074 -0.780 0.931) 1.217 6.853 ( 0.074 0.780 0.931) 1.217 7.068 ( 0.753 -7.680 -0.035) 7.716 7.068 ( 0.753 7.680 -0.035) 7.716 7.361 ( 0.515 -3.583 -0.496) 3.654 7.361 ( 0.515 3.583 -0.496) 3.654 7.557 ( 0.447 -1.216 -0.862) 1.556 7.557 ( 0.447 1.216 -0.862) 1.556 7.962 ( -0.558 -7.100 0.880) 7.176 7.962 ( -0.558 7.100 0.880) 7.176 8.316 ( 0.392 -2.423 -0.766) 2.571 8.316 ( 0.392 2.423 -0.766) 2.571 11.259 ( -0.296 -3.646 1.984) 4.161 11.259 ( -0.296 3.646 1.984) 4.161 11.303 ( 0.689 -2.140 -2.273) 3.197 11.303 ( 0.689 2.140 -2.273) 3.197 11.563 ( -0.387 -2.854 -0.321) 2.898 11.563 ( -0.387 2.854 -0.321) 2.898 11.833 ( -0.032 -0.753 0.049) 0.755 11.833 ( -0.032 0.753 0.049) 0.755 12.340 ( 0.313 -1.210 0.295) 1.284 12.340 ( 0.313 1.210 0.295) 1.284 12.387 ( -0.025 -0.638 0.016) 0.638 12.387 ( -0.025 0.638 0.016) 0.638 12.567 ( 0.176 -0.515 1.934) 2.009 12.567 ( 0.176 0.515 1.934) 2.009 12.604 ( -0.202 -1.158 -0.346) 1.225 12.604 ( -0.202 1.158 -0.346) 1.225 12.612 ( -0.213 -0.509 -1.398) 1.503 12.612 ( -0.213 0.509 -1.398) 1.503 12.776 ( -0.069 -1.164 -0.074) 1.168 12.776 ( -0.069 1.164 -0.074) 1.168 12.913 ( -0.043 -1.160 -0.332) 1.207 12.913 ( -0.043 1.160 -0.332) 1.207 12.980 ( 0.284 -1.288 -0.004) 1.319 12.980 ( 0.284 1.288 -0.004) 1.319 13.376 ( 0.068 -0.128 0.395) 0.421 13.376 ( 0.068 0.128 0.395) 0.421 13.433 ( 0.223 -1.576 -0.121) 1.596 13.433 ( 0.223 1.576 -0.121) 1.596 13.931 ( -0.265 -2.495 0.184) 2.516 13.931 ( -0.265 2.495 0.184) 2.516 14.063 ( 0.135 -0.985 -0.940) 1.368 14.063 ( 0.135 0.985 -0.940) 1.368 14.284 ( -0.268 -0.077 0.379) 0.471 14.284 ( -0.268 0.077 0.379) 0.471 14.354 ( 0.084 -0.267 0.138) 0.312 14.354 ( 0.084 0.267 0.138) 0.312 ======================= Grid point 45 (16/84) ======================= q-point: ( 0.00 0.00 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( -1.015 0.000 32.572) 32.587 0.731 ( 2.814 0.000 33.806) 33.923 1.125 ( 0.437 0.000 50.678) 50.680 2.251 ( -1.177 0.000 -0.275) 1.208 2.386 ( -4.024 0.000 4.875) 6.322 2.554 ( 1.953 0.000 5.766) 6.088 2.782 ( 4.106 0.000 -7.896) 8.900 2.856 ( -0.457 0.000 -10.367) 10.377 2.865 ( -3.654 0.000 -6.602) 7.545 2.927 ( 3.276 0.000 -0.339) 3.294 3.031 ( -1.360 0.000 -2.886) 3.190 3.108 ( 3.521 0.000 -5.529) 6.556 3.240 ( 3.378 0.000 6.103) 6.976 3.286 ( -2.859 0.000 6.336) 6.951 3.369 ( -2.853 0.000 1.476) 3.212 3.625 ( 1.810 0.000 -0.638) 1.919 3.667 ( -1.258 0.000 -2.033) 2.391 3.802 ( 0.745 0.000 5.216) 5.269 3.918 ( -2.412 0.000 -3.426) 4.190 3.987 ( -0.653 0.000 -2.857) 2.930 3.988 ( 1.328 0.000 -3.954) 4.171 4.020 ( -2.316 0.000 -2.894) 3.707 4.036 ( -1.786 0.000 -0.242) 1.803 4.048 ( -1.712 0.000 -5.313) 5.582 4.280 ( 4.372 0.000 5.087) 6.707 4.367 ( -1.285 0.000 4.852) 5.019 4.537 ( 2.877 0.000 3.639) 4.639 4.624 ( -1.856 0.000 -4.048) 4.453 4.714 ( 0.706 0.000 -4.228) 4.286 4.760 ( 0.445 0.000 3.204) 3.235 5.077 ( -1.285 0.000 0.461) 1.365 5.077 ( 6.045 0.000 -3.400) 6.936 5.213 ( -3.483 0.000 1.610) 3.837 5.228 ( -8.516 0.000 -6.196) 10.531 5.502 ( 4.026 0.000 8.018) 8.972 5.557 ( 5.643 0.000 5.429) 7.831 5.571 ( -1.230 0.000 -1.249) 1.753 5.833 ( -2.715 0.000 -3.969) 4.809 5.858 ( -0.454 0.000 -2.673) 2.711 5.880 ( 2.617 0.000 3.276) 4.193 5.978 ( -1.201 0.000 0.526) 1.311 5.995 ( 0.032 0.000 1.062) 1.063 6.301 ( 2.742 0.000 0.100) 2.744 6.311 ( -0.658 0.000 -2.091) 2.192 6.335 ( 0.015 0.000 -0.101) 0.102 6.400 ( -0.390 0.000 4.111) 4.129 6.648 ( -0.359 0.000 -1.292) 1.341 6.690 ( 2.200 0.000 -3.324) 3.986 6.831 ( -2.293 0.000 -2.349) 3.282 6.944 ( 2.318 0.000 -3.410) 4.123 7.017 ( -3.594 0.000 3.112) 4.754 7.127 ( -0.309 0.000 0.755) 0.815 7.407 ( -1.702 0.000 -2.324) 2.881 7.447 ( 0.012 0.000 -0.718) 0.718 7.469 ( 0.879 0.000 -5.652) 5.720 7.595 ( 0.078 0.000 -1.266) 1.268 7.860 ( 1.729 0.000 4.447) 4.771 7.913 ( 0.424 0.000 -0.040) 0.426 8.222 ( 1.130 0.000 2.529) 2.770 8.473 ( -0.427 0.000 -3.160) 3.189 11.075 ( -0.130 0.000 1.733) 1.738 11.235 ( 0.588 0.000 0.268) 0.646 11.386 ( 0.584 0.000 -1.791) 1.884 11.441 ( 1.105 0.000 -3.897) 4.050 11.585 ( -2.436 0.000 1.090) 2.669 11.625 ( 0.319 0.000 0.013) 0.319 11.847 ( 1.320 0.000 -0.243) 1.342 11.848 ( -0.428 0.000 -0.100) 0.439 12.267 ( -1.267 0.000 1.402) 1.890 12.304 ( 0.132 0.000 0.553) 0.568 12.357 ( -0.166 0.000 0.043) 0.172 12.437 ( 0.598 0.000 -0.723) 0.938 12.513 ( -0.502 0.000 1.415) 1.501 12.525 ( -0.113 0.000 1.589) 1.593 12.592 ( -0.389 0.000 -0.032) 0.391 12.631 ( 0.160 0.000 -0.346) 0.381 12.662 ( 0.966 0.000 0.488) 1.082 12.686 ( -0.087 0.000 -0.532) 0.539 12.753 ( -0.108 0.000 0.940) 0.946 12.859 ( -0.789 0.000 -0.104) 0.796 12.863 ( 0.321 0.000 -0.700) 0.771 12.907 ( 0.610 0.000 -1.647) 1.756 12.961 ( -0.754 0.000 0.237) 0.791 12.981 ( -0.259 0.000 -0.536) 0.596 13.315 ( -0.245 0.000 1.245) 1.269 13.350 ( 0.030 0.000 0.687) 0.688 13.398 ( -0.311 0.000 -0.275) 0.415 13.467 ( 0.284 0.000 -1.059) 1.097 13.938 ( -0.423 0.000 0.475) 0.636 13.943 ( 0.849 0.000 -0.256) 0.887 14.077 ( 0.158 0.000 -2.581) 2.586 14.142 ( 0.775 0.000 -3.242) 3.333 14.228 ( 0.081 0.000 2.698) 2.699 14.292 ( 0.591 0.000 2.140) 2.220 14.333 ( 0.135 0.000 0.141) 0.195 14.381 ( 0.116 0.000 -0.605) 0.616 ======================= Grid point 46 (17/84) ======================= q-point: ( 0.11 0.00 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( 11.187 0.000 27.230) 29.438 1.241 ( 7.447 0.000 30.858) 31.744 2.002 ( 24.763 0.000 38.385) 45.680 2.260 ( 1.219 0.000 0.673) 1.392 2.426 ( 0.396 0.000 7.279) 7.290 2.611 ( -0.064 0.000 -9.377) 9.377 2.693 ( -0.643 0.000 -11.301) 11.320 2.694 ( -0.005 0.000 -4.365) 4.365 2.779 ( 0.128 0.000 -2.359) 2.363 2.969 ( 2.842 0.000 -1.455) 3.193 2.970 ( 2.185 0.000 -4.550) 5.047 3.110 ( 5.359 0.000 -4.526) 7.014 3.266 ( -5.783 0.000 1.630) 6.008 3.365 ( -2.514 0.000 4.203) 4.898 3.389 ( 2.137 0.000 6.227) 6.584 3.559 ( -2.393 0.000 -6.025) 6.483 3.595 ( 0.030 0.000 -4.581) 4.581 3.827 ( -4.504 0.000 -1.682) 4.808 3.840 ( -5.617 0.000 -5.805) 8.077 3.871 ( -0.713 0.000 -1.042) 1.263 3.954 ( -5.363 0.000 2.424) 5.886 3.959 ( -2.521 0.000 -1.652) 3.014 4.022 ( 3.925 0.000 4.774) 6.181 4.060 ( 5.139 0.000 -2.912) 5.907 4.397 ( 2.685 0.000 -0.125) 2.688 4.400 ( -3.079 0.000 4.612) 5.545 4.544 ( -0.515 0.000 -1.715) 1.791 4.621 ( -0.309 0.000 4.605) 4.615 4.623 ( -2.759 0.000 -6.732) 7.275 4.820 ( 0.972 0.000 3.887) 4.006 5.026 ( -6.296 0.000 -4.262) 7.603 5.095 ( 0.213 0.000 1.954) 1.966 5.112 ( 4.452 0.000 -5.225) 6.865 5.165 ( -3.917 0.000 0.898) 4.019 5.564 ( 0.494 0.000 1.061) 1.171 5.656 ( 2.642 0.000 1.023) 2.833 5.698 ( -5.824 0.000 -5.207) 7.812 5.702 ( 2.956 0.000 7.855) 8.393 5.828 ( -0.484 0.000 1.996) 2.053 5.953 ( -0.618 0.000 -0.718) 0.947 5.973 ( 2.238 0.000 1.161) 2.521 6.012 ( 1.524 0.000 1.784) 2.346 6.258 ( -1.307 0.000 -3.098) 3.363 6.316 ( 1.305 0.000 -0.520) 1.405 6.398 ( 4.164 0.000 1.805) 4.538 6.438 ( -1.472 0.000 2.709) 3.083 6.612 ( -1.323 0.000 -1.930) 2.340 6.675 ( 1.121 0.000 -2.728) 2.950 6.774 ( -1.539 0.000 -0.967) 1.818 6.916 ( 0.802 0.000 -4.061) 4.139 6.998 ( -4.610 0.000 4.214) 6.246 7.122 ( 0.262 0.000 -1.463) 1.486 7.364 ( 0.367 0.000 -2.148) 2.180 7.424 ( 2.162 0.000 -4.528) 5.018 7.457 ( 1.409 0.000 0.032) 1.409 7.577 ( 0.799 0.000 -2.415) 2.544 7.888 ( -2.756 0.000 -0.134) 2.759 7.959 ( 2.512 0.000 4.717) 5.344 8.287 ( 2.471 0.000 1.921) 3.130 8.408 ( -1.033 0.000 -4.623) 4.737 11.104 ( 0.259 0.000 2.238) 2.253 11.249 ( 0.297 0.000 0.601) 0.670 11.372 ( 0.627 0.000 -1.561) 1.682 11.399 ( 1.398 0.000 -5.117) 5.305 11.552 ( -3.123 0.000 0.861) 3.240 11.633 ( 0.580 0.000 -0.152) 0.600 11.838 ( -0.485 0.000 -0.166) 0.512 11.843 ( -0.577 0.000 0.059) 0.579 12.264 ( -1.195 0.000 1.329) 1.787 12.320 ( 0.556 0.000 1.139) 1.267 12.359 ( 0.110 0.000 0.212) 0.239 12.430 ( 0.074 0.000 -1.180) 1.182 12.528 ( -0.202 0.000 1.701) 1.713 12.550 ( -0.028 0.000 1.870) 1.870 12.584 ( -0.639 0.000 0.381) 0.744 12.629 ( -0.336 0.000 0.192) 0.387 12.671 ( 0.082 0.000 -0.244) 0.258 12.672 ( -0.393 0.000 -1.015) 1.088 12.764 ( -0.254 0.000 0.927) 0.961 12.844 ( -0.520 0.000 -0.436) 0.679 12.865 ( 0.722 0.000 -0.677) 0.989 12.902 ( 1.153 0.000 -1.254) 1.703 12.957 ( -0.107 0.000 0.181) 0.210 12.973 ( 0.171 0.000 -0.633) 0.655 13.332 ( 0.025 0.000 1.630) 1.631 13.362 ( 0.208 0.000 0.826) 0.852 13.389 ( -0.106 0.000 -0.463) 0.475 13.456 ( 0.416 0.000 -1.227) 1.295 13.929 ( -1.076 0.000 -0.079) 1.079 13.956 ( 0.890 0.000 0.180) 0.908 14.054 ( 0.760 0.000 -1.855) 2.005 14.108 ( 0.574 0.000 -3.396) 3.444 14.262 ( -0.182 0.000 2.363) 2.370 14.316 ( -0.401 0.000 1.060) 1.134 14.340 ( 0.241 0.000 0.395) 0.462 14.371 ( -0.143 0.000 -0.588) 0.605 ======================= Grid point 47 (18/84) ======================= q-point: ( 0.22 0.00 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( 11.422 0.000 21.305) 24.174 1.777 ( 11.116 0.000 25.667) 27.970 2.262 ( 2.696 0.000 -6.103) 6.672 2.374 ( -2.090 0.000 -19.458) 19.570 2.515 ( -2.608 0.000 0.004) 2.608 2.597 ( 1.120 0.000 -8.314) 8.390 2.619 ( 8.096 0.000 7.780) 11.228 2.733 ( -7.596 0.000 1.457) 7.735 2.809 ( 17.896 0.000 15.296) 23.542 2.978 ( 4.452 0.000 -7.581) 8.791 3.045 ( 10.552 0.000 -1.554) 10.666 3.155 ( 6.571 0.000 -3.909) 7.646 3.209 ( -4.291 0.000 10.321) 11.177 3.354 ( -1.494 0.000 -4.294) 4.547 3.411 ( -0.181 0.000 5.045) 5.048 3.533 ( -0.463 0.000 -2.947) 2.983 3.597 ( 1.806 0.000 4.609) 4.950 3.689 ( -5.314 0.000 -3.338) 6.275 3.720 ( -1.300 0.000 -5.213) 5.373 3.756 ( -4.405 0.000 -6.988) 8.261 3.941 ( -1.650 0.000 2.960) 3.389 3.943 ( -4.809 0.000 6.845) 8.365 4.094 ( 4.014 0.000 -2.931) 4.970 4.145 ( 1.084 0.000 4.332) 4.465 4.326 ( -3.914 0.000 -5.525) 6.770 4.368 ( -8.101 0.000 1.440) 8.228 4.477 ( -1.616 0.000 -6.085) 6.296 4.582 ( -0.107 0.000 2.641) 2.643 4.651 ( -1.822 0.000 5.083) 5.399 4.900 ( 1.765 0.000 4.268) 4.618 4.904 ( -2.796 0.000 -2.864) 4.002 5.052 ( -3.270 0.000 -2.560) 4.153 5.129 ( 2.216 0.000 -6.501) 6.868 5.146 ( 0.927 0.000 3.323) 3.449 5.523 ( -7.518 0.000 -3.217) 8.177 5.610 ( 1.432 0.000 2.885) 3.221 5.633 ( -1.384 0.000 -2.345) 2.723 5.796 ( -1.944 0.000 2.919) 3.507 5.880 ( 0.198 0.000 3.794) 3.799 5.976 ( 0.667 0.000 -2.582) 2.667 5.999 ( 5.129 0.000 2.429) 5.675 6.072 ( 0.681 0.000 1.687) 1.819 6.202 ( -0.407 0.000 -2.191) 2.228 6.338 ( 2.585 0.000 -0.727) 2.686 6.408 ( -2.313 0.000 -1.887) 2.985 6.494 ( 4.455 0.000 1.842) 4.820 6.567 ( -2.400 0.000 -0.530) 2.458 6.668 ( 1.289 0.000 -0.930) 1.589 6.754 ( -0.354 0.000 -0.086) 0.365 6.874 ( 0.018 0.000 -2.847) 2.847 6.981 ( -4.909 0.000 4.437) 6.617 7.093 ( 0.016 0.000 -3.047) 3.047 7.365 ( 2.534 0.000 -1.516) 2.953 7.419 ( 3.184 0.000 -2.671) 4.156 7.487 ( 1.079 0.000 1.311) 1.698 7.560 ( 1.566 0.000 -2.845) 3.247 7.841 ( -3.632 0.000 1.117) 3.800 8.058 ( 2.687 0.000 3.785) 4.641 8.324 ( -1.236 0.000 -4.888) 5.041 8.342 ( 1.716 0.000 1.112) 2.045 11.138 ( 0.349 0.000 2.022) 2.052 11.256 ( -0.437 0.000 0.574) 0.721 11.355 ( 2.053 0.000 -5.502) 5.872 11.366 ( 0.641 0.000 -0.964) 1.158 11.518 ( -2.830 0.000 1.728) 3.316 11.636 ( 0.229 0.000 -0.300) 0.377 11.829 ( -0.463 0.000 -0.104) 0.475 11.841 ( -0.256 0.000 0.594) 0.647 12.269 ( -0.364 0.000 1.440) 1.485 12.351 ( 0.935 0.000 1.430) 1.708 12.363 ( -0.136 0.000 0.255) 0.289 12.412 ( 0.098 0.000 -1.407) 1.410 12.552 ( 0.266 0.000 1.683) 1.704 12.562 ( -0.781 0.000 1.120) 1.366 12.590 ( -0.395 0.000 1.443) 1.496 12.623 ( -0.606 0.000 -0.042) 0.607 12.646 ( -0.629 0.000 -1.615) 1.733 12.660 ( -0.358 0.000 -0.924) 0.991 12.768 ( -0.491 0.000 0.604) 0.778 12.833 ( -0.288 0.000 -0.249) 0.381 12.865 ( 0.529 0.000 -0.802) 0.961 12.909 ( 1.325 0.000 -0.727) 1.512 12.961 ( 0.197 0.000 0.317) 0.373 12.969 ( 0.274 0.000 -0.429) 0.510 13.357 ( 0.218 0.000 1.744) 1.758 13.374 ( 0.096 0.000 0.404) 0.415 13.383 ( 0.138 0.000 -0.531) 0.549 13.451 ( 0.827 0.000 -0.910) 1.230 13.905 ( -1.187 0.000 -0.500) 1.288 13.978 ( 1.027 0.000 0.903) 1.367 14.051 ( 0.857 0.000 -0.698) 1.105 14.071 ( 0.282 0.000 -3.102) 3.115 14.284 ( -0.306 0.000 1.620) 1.648 14.311 ( -0.950 0.000 0.055) 0.952 14.348 ( 0.051 0.000 0.310) 0.314 14.363 ( -0.104 0.000 -0.425) 0.438 ======================= Grid point 48 (19/84) ======================= q-point: ( 0.33 0.00 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( 4.205 0.000 -5.588) 6.994 2.174 ( 5.854 0.000 -6.855) 9.015 2.216 ( 6.208 0.000 7.867) 10.021 2.237 ( 4.876 0.000 11.836) 12.801 2.524 ( -0.558 0.000 -7.283) 7.305 2.525 ( -3.062 0.000 8.493) 9.028 2.600 ( -4.008 0.000 -2.437) 4.691 2.818 ( 3.282 0.000 5.364) 6.289 2.871 ( 7.450 0.000 -11.429) 13.643 3.149 ( 8.977 0.000 8.223) 12.174 3.158 ( 1.612 0.000 -1.315) 2.080 3.232 ( 7.483 0.000 1.939) 7.730 3.337 ( -0.113 0.000 -1.167) 1.172 3.340 ( 4.517 0.000 -1.925) 4.910 3.361 ( -4.645 0.000 -4.028) 6.148 3.550 ( -1.815 0.000 -5.335) 5.636 3.598 ( -1.410 0.000 1.627) 2.153 3.619 ( 1.855 0.000 -3.593) 4.044 3.668 ( 2.688 0.000 6.710) 7.228 3.745 ( 3.750 0.000 1.601) 4.077 3.912 ( -4.487 0.000 -0.350) 4.501 3.969 ( -2.003 0.000 2.862) 3.493 4.128 ( -2.038 0.000 0.688) 2.150 4.142 ( -5.298 0.000 2.391) 5.812 4.187 ( -7.495 0.000 -1.712) 7.688 4.206 ( -3.175 0.000 -0.453) 3.207 4.442 ( -0.250 0.000 -0.347) 0.428 4.545 ( -4.327 0.000 0.217) 4.333 4.754 ( 2.628 0.000 6.131) 6.670 4.827 ( -2.538 0.000 -3.286) 4.152 4.902 ( 0.150 0.000 -7.473) 7.475 5.005 ( -1.763 0.000 1.185) 2.124 5.098 ( 1.525 0.000 1.029) 1.840 5.193 ( 0.472 0.000 1.345) 1.425 5.397 ( -5.153 0.000 0.201) 5.157 5.589 ( -1.290 0.000 -0.599) 1.422 5.687 ( 2.988 0.000 2.279) 3.758 5.785 ( -1.212 0.000 0.813) 1.459 5.889 ( -2.688 0.000 0.531) 2.740 5.922 ( -1.115 0.000 -4.473) 4.610 6.071 ( -1.437 0.000 0.093) 1.440 6.107 ( 4.555 0.000 0.840) 4.632 6.211 ( 1.502 0.000 0.906) 1.754 6.350 ( -0.765 0.000 -1.897) 2.045 6.384 ( 3.947 0.000 -1.066) 4.089 6.517 ( -2.860 0.000 -0.011) 2.860 6.572 ( 3.547 0.000 -0.299) 3.559 6.682 ( 1.033 0.000 0.050) 1.035 6.741 ( 0.247 0.000 -2.532) 2.544 6.840 ( -0.168 0.000 -2.747) 2.752 6.961 ( -5.259 0.000 4.964) 7.232 7.063 ( -0.673 0.000 0.639) 0.928 7.387 ( 3.015 0.000 -2.444) 3.882 7.450 ( 3.229 0.000 -0.697) 3.303 7.525 ( 0.127 0.000 2.857) 2.860 7.556 ( 2.161 0.000 -2.037) 2.969 7.804 ( -2.881 0.000 1.135) 3.096 8.137 ( 2.549 0.000 0.581) 2.615 8.251 ( -1.076 0.000 -2.012) 2.282 8.374 ( 0.621 0.000 0.947) 1.132 11.164 ( 0.031 0.000 1.146) 1.146 11.254 ( -0.674 0.000 0.732) 0.995 11.319 ( 2.152 0.000 -4.957) 5.404 11.367 ( 0.452 0.000 -0.111) 0.466 11.516 ( -1.446 0.000 3.030) 3.357 11.635 ( -0.012 0.000 0.086) 0.087 11.817 ( -0.666 0.000 -0.253) 0.712 11.846 ( -0.254 0.000 0.571) 0.625 12.287 ( 0.252 0.000 1.058) 1.088 12.360 ( -0.646 0.000 0.283) 0.705 12.375 ( 0.276 0.000 0.257) 0.377 12.402 ( 0.745 0.000 -0.757) 1.062 12.567 ( -0.667 0.000 1.274) 1.438 12.581 ( 0.804 0.000 1.388) 1.604 12.599 ( -0.657 0.000 1.032) 1.223 12.607 ( -0.341 0.000 -1.288) 1.332 12.613 ( -0.408 0.000 -1.607) 1.658 12.640 ( -0.952 0.000 -0.309) 1.000 12.765 ( -0.624 0.000 0.425) 0.755 12.829 ( -0.123 0.000 0.198) 0.233 12.862 ( 0.470 0.000 -0.780) 0.911 12.920 ( 1.026 0.000 -0.558) 1.168 12.970 ( 0.205 0.000 0.085) 0.222 12.972 ( 0.198 0.000 0.807) 0.831 13.375 ( -0.052 0.000 -0.227) 0.233 13.377 ( -0.014 0.000 -0.273) 0.273 13.383 ( 0.248 0.000 1.149) 1.176 13.457 ( 0.987 0.000 -0.541) 1.125 13.883 ( -0.806 0.000 -0.297) 0.859 14.013 ( 1.129 0.000 1.741) 2.075 14.034 ( 0.006 0.000 -2.759) 2.759 14.061 ( 0.605 0.000 0.339) 0.693 14.293 ( -0.707 0.000 -0.585) 0.918 14.295 ( -0.339 0.000 0.652) 0.735 14.349 ( -0.186 0.000 0.039) 0.190 14.357 ( 0.047 0.000 -0.387) 0.390 ======================= Grid point 49 (20/84) ======================= q-point: ( 0.44 0.00 -0.83) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( 10.407 0.000 -2.579) 10.722 2.155 ( 8.605 0.000 -8.207) 11.892 2.283 ( -9.646 0.000 -4.617) 10.694 2.325 ( -7.938 0.000 0.984) 7.999 2.528 ( 4.817 0.000 9.037) 10.241 2.549 ( -6.492 0.000 6.358) 9.087 2.598 ( 2.624 0.000 0.477) 2.667 2.894 ( -1.054 0.000 0.582) 1.204 2.984 ( 13.473 0.000 1.719) 13.582 3.136 ( -4.488 0.000 -10.053) 11.010 3.149 ( -0.327 0.000 0.865) 0.925 3.297 ( -3.437 0.000 2.670) 4.352 3.340 ( 0.698 0.000 2.339) 2.441 3.391 ( 4.153 0.000 7.281) 8.382 3.438 ( 3.850 0.000 1.608) 4.172 3.513 ( 9.299 0.000 -6.947) 11.608 3.587 ( -1.801 0.000 1.163) 2.143 3.630 ( 3.594 0.000 -3.895) 5.300 3.737 ( -3.061 0.000 1.036) 3.232 3.765 ( 2.033 0.000 -5.729) 6.079 3.884 ( 1.718 0.000 -0.012) 1.718 3.891 ( -4.382 0.000 -2.374) 4.984 3.961 ( -7.778 0.000 0.086) 7.778 4.085 ( -6.118 0.000 1.848) 6.391 4.185 ( -1.045 0.000 1.584) 1.897 4.251 ( 2.379 0.000 4.465) 5.059 4.415 ( -2.210 0.000 -0.708) 2.320 4.480 ( -4.006 0.000 0.958) 4.119 4.738 ( -2.040 0.000 -4.585) 5.018 4.809 ( 2.135 0.000 -6.793) 7.121 4.851 ( 0.730 0.000 3.871) 3.939 5.058 ( -0.557 0.000 4.104) 4.141 5.133 ( 2.267 0.000 3.975) 4.576 5.192 ( -0.523 0.000 -1.213) 1.321 5.364 ( -1.947 0.000 2.320) 3.029 5.584 ( -0.467 0.000 2.001) 2.055 5.683 ( -1.041 0.000 -6.651) 6.732 5.776 ( -0.584 0.000 -0.954) 1.119 5.851 ( -1.425 0.000 0.484) 1.505 5.911 ( 3.241 0.000 2.643) 4.181 6.050 ( -0.892 0.000 -0.244) 0.924 6.161 ( 1.395 0.000 -2.527) 2.886 6.197 ( -0.670 0.000 -1.863) 1.980 6.360 ( 0.796 0.000 2.301) 2.435 6.399 ( 1.222 0.000 -3.828) 4.019 6.497 ( -0.786 0.000 1.886) 2.043 6.609 ( 3.610 0.000 -1.876) 4.069 6.697 ( 1.157 0.000 -4.756) 4.895 6.701 ( -0.341 0.000 0.955) 1.014 6.785 ( 0.052 0.000 -4.154) 4.154 6.943 ( -4.666 0.000 3.977) 6.131 7.104 ( 0.143 0.000 5.645) 5.647 7.390 ( 1.874 0.000 -2.863) 3.422 7.493 ( 1.727 0.000 0.645) 1.844 7.560 ( -0.773 0.000 2.823) 2.927 7.577 ( 2.122 0.000 -0.086) 2.123 7.778 ( -1.836 0.000 0.673) 1.955 8.114 ( 0.045 0.000 -5.484) 5.484 8.279 ( 1.235 0.000 4.197) 4.375 8.389 ( -0.370 0.000 0.995) 1.062 11.167 ( -0.620 0.000 0.004) 0.620 11.257 ( -0.671 0.000 0.841) 1.076 11.300 ( 3.111 0.000 -3.288) 4.527 11.377 ( 0.212 0.000 0.748) 0.778 11.541 ( -1.488 0.000 3.632) 3.925 11.640 ( -0.011 0.000 0.744) 0.744 11.807 ( -0.108 0.000 -0.135) 0.173 11.844 ( -0.516 0.000 -0.005) 0.516 12.291 ( -0.579 0.000 -0.449) 0.733 12.359 ( -0.287 0.000 1.028) 1.068 12.369 ( -0.001 0.000 -1.166) 1.166 12.410 ( 0.560 0.000 -0.079) 0.566 12.555 ( -1.043 0.000 -0.905) 1.381 12.577 ( -0.280 0.000 -2.214) 2.232 12.593 ( -0.735 0.000 0.092) 0.740 12.611 ( 0.368 0.000 1.056) 1.119 12.616 ( 0.793 0.000 1.189) 1.429 12.627 ( -0.201 0.000 0.351) 0.405 12.762 ( -0.502 0.000 0.462) 0.682 12.834 ( -0.091 0.000 0.737) 0.742 12.861 ( 0.656 0.000 -0.677) 0.942 12.925 ( 0.445 0.000 -0.577) 0.728 12.979 ( 0.104 0.000 0.809) 0.816 12.987 ( -0.166 0.000 1.307) 1.317 13.368 ( -0.192 0.000 -0.796) 0.818 13.370 ( 0.094 0.000 -0.514) 0.522 13.399 ( -0.218 0.000 1.108) 1.129 13.464 ( 0.646 0.000 -0.508) 0.822 13.875 ( -0.102 0.000 0.194) 0.220 14.000 ( -0.077 0.000 -2.200) 2.201 14.060 ( 1.129 0.000 2.439) 2.688 14.076 ( 0.031 0.000 1.066) 1.067 14.276 ( 0.018 0.000 -1.087) 1.087 14.288 ( -0.524 0.000 -0.617) 0.809 14.347 ( -0.104 0.000 0.082) 0.133 14.354 ( 0.217 0.000 -0.369) 0.428 ======================= Grid point 50 (21/84) ======================= q-point: (-0.44 0.00 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( -14.237 0.000 -6.607) 15.695 2.030 ( -17.436 0.000 -8.242) 19.285 2.263 ( 8.661 0.000 -1.716) 8.829 2.334 ( 11.861 0.000 8.073) 14.347 2.504 ( -7.033 0.000 3.405) 7.814 2.631 ( 4.230 0.000 -1.234) 4.407 2.673 ( -0.278 0.000 4.311) 4.320 2.832 ( -5.891 0.000 -1.220) 6.016 2.990 ( -0.382 0.000 -5.274) 5.288 3.159 ( 1.913 0.000 2.519) 3.163 3.195 ( 0.554 0.000 3.850) 3.890 3.280 ( -1.564 0.000 2.440) 2.898 3.342 ( -4.365 0.000 -2.566) 5.064 3.423 ( -13.427 0.000 -2.419) 13.643 3.441 ( 0.590 0.000 -4.878) 4.913 3.512 ( 0.316 0.000 -5.186) 5.195 3.609 ( -2.463 0.000 3.633) 4.390 3.654 ( 4.207 0.000 4.793) 6.378 3.690 ( 5.726 0.000 2.176) 6.125 3.726 ( 1.193 0.000 -4.274) 4.437 3.779 ( -1.500 0.000 -2.940) 3.300 3.829 ( -4.199 0.000 2.830) 5.064 4.052 ( 8.283 0.000 3.074) 8.835 4.178 ( 8.975 0.000 6.283) 10.956 4.184 ( -0.085 0.000 -0.222) 0.238 4.268 ( -3.628 0.000 0.722) 3.699 4.400 ( 2.675 0.000 -0.004) 2.675 4.476 ( 1.845 0.000 -0.499) 1.911 4.620 ( -4.093 0.000 -5.472) 6.833 4.769 ( 2.506 0.000 -6.252) 6.736 4.896 ( 0.194 0.000 2.661) 2.668 5.012 ( -2.299 0.000 -0.789) 2.431 5.148 ( -1.650 0.000 -2.533) 3.022 5.330 ( -2.557 0.000 2.458) 3.547 5.375 ( 8.058 0.000 7.605) 11.080 5.577 ( -0.599 0.000 -4.397) 4.438 5.624 ( 0.333 0.000 3.830) 3.845 5.744 ( -0.176 0.000 -2.273) 2.280 5.852 ( -0.286 0.000 0.386) 0.480 6.010 ( 2.223 0.000 2.422) 3.287 6.035 ( 0.272 0.000 -1.202) 1.232 6.051 ( -3.818 0.000 -7.508) 8.423 6.202 ( 1.223 0.000 0.069) 1.225 6.335 ( -0.366 0.000 -5.215) 5.228 6.398 ( -0.121 0.000 1.818) 1.822 6.541 ( 1.250 0.000 3.443) 3.663 6.605 ( -2.337 0.000 -2.618) 3.509 6.671 ( 2.347 0.000 -2.936) 3.759 6.697 ( 3.774 0.000 -2.165) 4.351 6.769 ( 0.806 0.000 -0.544) 0.973 6.923 ( -2.864 0.000 2.656) 3.906 7.188 ( 0.024 0.000 4.960) 4.960 7.381 ( 0.552 0.000 -0.790) 0.964 7.513 ( -0.213 0.000 0.675) 0.708 7.573 ( -1.223 0.000 1.667) 2.067 7.616 ( 1.211 0.000 1.692) 2.080 7.770 ( -0.421 0.000 1.223) 1.294 8.029 ( -0.856 0.000 -5.941) 6.002 8.361 ( 1.591 0.000 4.172) 4.465 8.386 ( -1.396 0.000 0.648) 1.539 11.146 ( -1.254 0.000 -0.682) 1.428 11.246 ( 0.060 0.000 -1.236) 1.237 11.339 ( 3.608 0.000 0.307) 3.621 11.391 ( -0.063 0.000 0.931) 0.933 11.560 ( -2.348 0.000 3.956) 4.600 11.653 ( -0.124 0.000 1.079) 1.086 11.812 ( 0.614 0.000 0.048) 0.616 11.830 ( -0.533 0.000 -0.650) 0.841 12.266 ( -1.082 0.000 -0.713) 1.296 12.345 ( -0.442 0.000 -1.873) 1.924 12.371 ( -0.189 0.000 0.992) 1.009 12.417 ( 0.454 0.000 -0.031) 0.455 12.532 ( -0.075 0.000 -0.770) 0.774 12.543 ( -0.497 0.000 -1.878) 1.943 12.582 ( -0.631 0.000 -0.072) 0.635 12.611 ( -0.440 0.000 0.088) 0.448 12.648 ( 0.819 0.000 1.370) 1.596 12.648 ( 1.034 0.000 0.501) 1.149 12.759 ( -0.442 0.000 0.156) 0.469 12.846 ( -0.101 0.000 1.354) 1.358 12.864 ( 0.838 0.000 -0.722) 1.106 12.920 ( 0.027 0.000 -0.492) 0.492 12.993 ( -0.179 0.000 1.334) 1.346 12.999 ( -0.794 0.000 1.489) 1.687 13.349 ( -0.594 0.000 -1.001) 1.164 13.364 ( 0.139 0.000 -0.759) 0.772 13.406 ( -0.504 0.000 0.854) 0.991 13.465 ( 0.335 0.000 -0.382) 0.508 13.884 ( 0.573 0.000 0.572) 0.810 13.973 ( -0.006 0.000 -1.664) 1.664 14.090 ( -0.438 0.000 1.632) 1.690 14.112 ( 0.909 0.000 2.853) 2.995 14.264 ( -0.631 0.000 -1.574) 1.696 14.265 ( 0.855 0.000 -1.528) 1.751 14.346 ( -0.093 0.000 -0.079) 0.122 14.354 ( 0.413 0.000 -0.265) 0.490 ======================= Grid point 51 (22/84) ======================= q-point: (-0.33 0.00 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( -26.369 0.000 -6.303) 27.111 1.601 ( -23.798 0.000 -5.869) 24.512 2.353 ( 0.867 0.000 -4.747) 4.826 2.413 ( -6.994 0.000 2.669) 7.486 2.556 ( 5.110 0.000 -0.099) 5.111 2.672 ( 4.566 0.000 -1.701) 4.873 2.687 ( -28.104 0.000 -8.361) 29.321 2.771 ( 5.128 0.000 6.727) 8.459 2.799 ( -10.204 0.000 -0.381) 10.211 2.949 ( 2.163 0.000 -3.697) 4.284 3.182 ( -2.890 0.000 -1.261) 3.153 3.236 ( -0.404 0.000 -0.025) 0.405 3.309 ( -2.508 0.000 4.212) 4.902 3.338 ( -1.552 0.000 -8.072) 8.220 3.355 ( -0.812 0.000 1.072) 1.344 3.547 ( 3.057 0.000 3.521) 4.663 3.670 ( -1.780 0.000 4.247) 4.605 3.682 ( 0.951 0.000 -0.247) 0.983 3.755 ( 2.078 0.000 -1.739) 2.709 3.806 ( 2.153 0.000 5.494) 5.901 3.839 ( 7.250 0.000 5.575) 9.145 3.863 ( 2.085 0.000 2.779) 3.474 4.161 ( -1.559 0.000 -1.285) 2.020 4.189 ( -5.221 0.000 -1.633) 5.470 4.206 ( 5.951 0.000 2.061) 6.298 4.433 ( 10.326 0.000 5.863) 11.874 4.470 ( -1.347 0.000 -2.896) 3.193 4.504 ( -0.127 0.000 -3.693) 3.695 4.510 ( 9.177 0.000 0.601) 9.197 4.728 ( 2.551 0.000 -4.824) 5.457 4.952 ( 2.128 0.000 3.670) 4.242 5.001 ( 1.282 0.000 -0.985) 1.617 5.089 ( -1.413 0.000 -1.264) 1.895 5.256 ( -1.868 0.000 -2.670) 3.259 5.546 ( 0.695 0.000 -0.379) 0.792 5.650 ( 6.604 0.000 10.105) 12.072 5.655 ( -1.596 0.000 -2.118) 2.652 5.707 ( -0.946 0.000 -2.083) 2.287 5.827 ( -1.502 0.000 -1.035) 1.824 5.910 ( -1.210 0.000 -3.976) 4.156 6.002 ( -0.923 0.000 -3.363) 3.487 6.023 ( -1.436 0.000 -1.050) 1.779 6.240 ( 1.807 0.000 1.912) 2.631 6.281 ( 1.375 0.000 -3.972) 4.203 6.397 ( -0.884 0.000 -0.543) 1.038 6.516 ( -3.906 0.000 -1.877) 4.333 6.613 ( 1.652 0.000 3.592) 3.953 6.690 ( 2.702 0.000 -0.965) 2.870 6.736 ( 4.711 0.000 -3.923) 6.131 6.787 ( 0.804 0.000 2.022) 2.176 6.931 ( -0.393 0.000 2.463) 2.495 7.200 ( -1.918 0.000 -0.574) 2.002 7.400 ( -0.216 0.000 2.786) 2.794 7.515 ( -0.396 0.000 0.721) 0.823 7.566 ( -2.044 0.000 0.904) 2.235 7.651 ( -0.323 0.000 2.050) 2.075 7.811 ( 2.298 0.000 3.005) 3.783 7.929 ( -1.366 0.000 -6.202) 6.350 8.357 ( -2.683 0.000 -0.177) 2.689 8.435 ( 1.472 0.000 3.100) 3.432 11.113 ( -1.583 0.000 -0.712) 1.736 11.232 ( 0.471 0.000 -1.425) 1.501 11.398 ( -0.137 0.000 0.379) 0.403 11.406 ( 3.350 0.000 0.781) 3.440 11.576 ( -2.344 0.000 4.167) 4.781 11.659 ( -0.651 0.000 0.669) 0.933 11.813 ( -0.167 0.000 -1.093) 1.106 11.822 ( 0.627 0.000 0.019) 0.628 12.248 ( -0.644 0.000 0.223) 0.681 12.312 ( -0.448 0.000 -1.560) 1.623 12.376 ( -0.594 0.000 0.625) 0.863 12.424 ( 0.601 0.000 -0.299) 0.671 12.514 ( -0.469 0.000 -1.113) 1.208 12.529 ( 0.461 0.000 -0.460) 0.651 12.575 ( -0.388 0.000 0.408) 0.563 12.608 ( 0.232 0.000 -0.162) 0.283 12.662 ( 0.333 0.000 -0.321) 0.463 12.673 ( 0.506 0.000 0.729) 0.887 12.753 ( -0.469 0.000 0.001) 0.469 12.864 ( -0.269 0.000 1.505) 1.529 12.866 ( 0.782 0.000 -0.940) 1.223 12.916 ( 0.111 0.000 -0.320) 0.339 13.000 ( -1.370 0.000 1.239) 1.847 13.005 ( -0.660 0.000 1.296) 1.454 13.325 ( -0.738 0.000 -0.789) 1.080 13.354 ( -0.043 0.000 -0.762) 0.764 13.408 ( -0.561 0.000 0.688) 0.888 13.467 ( 0.361 0.000 -0.150) 0.391 13.904 ( 0.769 0.000 0.580) 0.963 13.955 ( 0.154 0.000 -1.324) 1.333 14.108 ( -0.499 0.000 2.194) 2.250 14.162 ( 0.549 0.000 2.880) 2.932 14.228 ( -0.580 0.000 -2.303) 2.375 14.260 ( 1.267 0.000 -2.041) 2.402 14.341 ( -0.186 0.000 -0.264) 0.323 14.361 ( 0.662 0.000 -0.067) 0.665 ======================= Grid point 52 (23/84) ======================= q-point: (-0.22 0.00 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( -31.733 0.000 1.519) 31.769 1.088 ( -31.180 0.000 -3.240) 31.348 1.732 ( -47.310 0.000 -13.539) 49.209 2.309 ( -4.214 0.000 -0.317) 4.226 2.434 ( -5.473 0.000 4.330) 6.979 2.556 ( -1.333 0.000 -1.987) 2.393 2.735 ( 6.259 0.000 -2.659) 6.801 2.851 ( 1.741 0.000 4.188) 4.535 2.911 ( 3.555 0.000 2.213) 4.188 2.967 ( 3.364 0.000 -0.984) 3.505 3.142 ( -2.423 0.000 1.276) 2.738 3.202 ( -2.368 0.000 -5.295) 5.801 3.204 ( -1.715 0.000 -1.364) 2.191 3.259 ( -4.842 0.000 -2.495) 5.447 3.370 ( -0.040 0.000 2.064) 2.065 3.617 ( 1.699 0.000 2.576) 3.086 3.651 ( -0.850 0.000 -3.656) 3.754 3.763 ( -1.346 0.000 1.956) 2.374 3.821 ( 7.103 0.000 7.004) 9.975 3.902 ( 3.080 0.000 2.055) 3.703 3.937 ( 3.786 0.000 0.765) 3.863 3.989 ( 5.607 0.000 -0.683) 5.648 4.113 ( -2.112 0.000 2.528) 3.295 4.118 ( -1.901 0.000 -0.269) 1.920 4.304 ( 2.017 0.000 3.045) 3.652 4.349 ( -5.561 0.000 -4.921) 7.426 4.524 ( 3.645 0.000 -0.562) 3.688 4.612 ( 5.159 0.000 1.288) 5.318 4.654 ( 7.434 0.000 -0.418) 7.446 4.718 ( 0.988 0.000 -1.569) 1.854 5.004 ( 3.624 0.000 -4.057) 5.440 5.067 ( 2.190 0.000 7.005) 7.339 5.107 ( 3.507 0.000 2.325) 4.207 5.228 ( -0.396 0.000 0.520) 0.653 5.515 ( -3.137 0.000 -7.758) 8.368 5.566 ( 0.819 0.000 1.684) 1.873 5.615 ( -3.738 0.000 -5.303) 6.488 5.843 ( -0.223 0.000 1.823) 1.837 5.844 ( 3.167 0.000 6.368) 7.112 5.903 ( 1.841 0.000 1.345) 2.280 5.909 ( -2.885 0.000 -3.609) 4.621 5.984 ( -0.764 0.000 -2.245) 2.371 6.258 ( 1.661 0.000 -3.186) 3.593 6.298 ( 1.595 0.000 1.998) 2.556 6.369 ( -1.020 0.000 -0.777) 1.282 6.437 ( -3.842 0.000 -0.688) 3.903 6.674 ( -0.039 0.000 2.418) 2.419 6.720 ( 2.499 0.000 -0.300) 2.517 6.731 ( 2.695 0.000 -5.253) 5.904 6.850 ( 2.740 0.000 2.667) 3.824 6.974 ( 1.322 0.000 2.367) 2.711 7.148 ( -1.875 0.000 -1.436) 2.362 7.429 ( -0.527 0.000 2.100) 2.165 7.526 ( 0.533 0.000 0.577) 0.785 7.532 ( -2.586 0.000 -0.203) 2.594 7.653 ( -1.530 0.000 0.279) 1.555 7.832 ( -1.214 0.000 -4.323) 4.491 7.912 ( 3.988 0.000 3.457) 5.278 8.296 ( -3.926 0.000 -1.032) 4.059 8.486 ( 1.131 0.000 1.307) 1.728 11.082 ( -1.435 0.000 -0.223) 1.452 11.224 ( 0.580 0.000 -0.991) 1.148 11.397 ( 0.079 0.000 -0.488) 0.494 11.455 ( 2.294 0.000 -0.519) 2.352 11.593 ( -2.034 0.000 3.434) 3.991 11.648 ( -1.151 0.000 -0.101) 1.156 11.795 ( 0.075 0.000 -1.480) 1.482 11.835 ( 0.656 0.000 0.332) 0.735 12.251 ( -0.328 0.000 1.219) 1.263 12.295 ( 0.043 0.000 -0.473) 0.475 12.371 ( -0.787 0.000 0.354) 0.863 12.428 ( 0.757 0.000 -0.650) 0.997 12.500 ( -0.257 0.000 -0.043) 0.260 12.525 ( -0.330 0.000 -0.315) 0.456 12.583 ( 0.182 0.000 0.821) 0.841 12.614 ( 0.652 0.000 -0.014) 0.653 12.651 ( -0.348 0.000 -1.096) 1.150 12.685 ( 0.368 0.000 0.089) 0.378 12.746 ( -0.444 0.000 0.181) 0.479 12.865 ( 0.662 0.000 -0.826) 1.058 12.874 ( -0.675 0.000 1.084) 1.277 12.915 ( 0.471 0.000 -0.471) 0.666 12.989 ( -1.556 0.000 0.740) 1.724 13.005 ( -0.979 0.000 0.682) 1.194 13.309 ( -0.550 0.000 -0.054) 0.552 13.345 ( -0.136 0.000 -0.234) 0.271 13.408 ( -0.463 0.000 0.482) 0.668 13.471 ( 0.442 0.000 -0.216) 0.492 13.921 ( 0.535 0.000 0.421) 0.681 13.943 ( 0.417 0.000 -1.073) 1.152 14.129 ( -0.691 0.000 1.888) 2.011 14.189 ( -0.112 0.000 -2.097) 2.100 14.204 ( 0.392 0.000 1.741) 1.785 14.248 ( 0.886 0.000 -2.063) 2.245 14.335 ( -0.145 0.000 -0.203) 0.249 14.372 ( 0.788 0.000 -0.033) 0.788 ======================= Grid point 53 (24/84) ======================= q-point: (-0.11 0.00 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.593 ( -32.611 0.000 7.667) 33.501 0.616 ( -30.597 0.000 14.325) 33.784 0.958 ( -45.797 0.000 26.314) 52.819 2.281 ( -1.962 0.000 1.052) 2.226 2.396 ( -4.664 0.000 3.511) 5.838 2.506 ( -2.299 0.000 1.250) 2.617 2.782 ( 5.661 0.000 -4.796) 7.420 2.898 ( 1.471 0.000 -0.555) 1.573 2.967 ( 0.089 0.000 -5.089) 5.090 2.972 ( -0.694 0.000 1.323) 1.494 3.079 ( -2.537 0.000 -3.023) 3.946 3.136 ( 3.424 0.000 -7.152) 7.929 3.176 ( -2.513 0.000 1.521) 2.937 3.209 ( -0.743 0.000 6.659) 6.700 3.394 ( -0.629 0.000 0.774) 0.997 3.598 ( 0.763 0.000 -1.744) 1.904 3.667 ( -0.016 0.000 2.447) 2.447 3.765 ( -1.280 0.000 1.811) 2.218 3.957 ( 3.952 0.000 -0.711) 4.016 3.960 ( 3.435 0.000 -3.223) 4.711 4.012 ( 3.146 0.000 -4.221) 5.264 4.025 ( 3.797 0.000 2.731) 4.677 4.089 ( -3.636 0.000 1.665) 3.999 4.176 ( 1.818 0.000 3.998) 4.392 4.184 ( -5.397 0.000 -5.976) 8.053 4.341 ( -2.086 0.000 3.125) 3.757 4.536 ( 0.374 0.000 -5.746) 5.759 4.658 ( -0.122 0.000 1.403) 1.408 4.720 ( 0.740 0.000 0.539) 0.916 4.726 ( 2.979 0.000 -1.413) 3.297 5.026 ( 5.887 0.000 -3.930) 7.078 5.102 ( -1.500 0.000 -0.099) 1.504 5.231 ( -1.590 0.000 1.658) 2.297 5.286 ( 6.467 0.000 7.054) 9.570 5.423 ( 1.276 0.000 -4.923) 5.086 5.506 ( -4.396 0.000 -0.336) 4.409 5.600 ( -0.083 0.000 0.692) 0.697 5.825 ( -0.673 0.000 -0.997) 1.203 5.848 ( 1.451 0.000 0.475) 1.527 5.922 ( -1.407 0.000 -2.057) 2.492 5.961 ( 0.087 0.000 3.142) 3.143 5.962 ( 0.555 0.000 2.868) 2.921 6.258 ( 2.756 0.000 -1.624) 3.199 6.331 ( 0.284 0.000 -0.091) 0.298 6.359 ( -0.266 0.000 1.810) 1.830 6.373 ( -3.143 0.000 -0.418) 3.171 6.669 ( -1.044 0.000 -0.516) 1.164 6.702 ( 2.324 0.000 -4.407) 4.982 6.796 ( 3.938 0.000 5.051) 6.405 6.922 ( 3.397 0.000 -0.089) 3.398 7.016 ( -0.407 0.000 2.217) 2.254 7.117 ( -0.744 0.000 0.225) 0.777 7.438 ( -0.179 0.000 0.050) 0.186 7.489 ( -1.014 0.000 -1.670) 1.954 7.526 ( 0.701 0.000 -3.222) 3.297 7.615 ( -1.212 0.000 -1.184) 1.694 7.802 ( 0.121 0.000 1.349) 1.354 7.966 ( -0.950 0.000 -3.916) 4.029 8.217 ( -3.368 0.000 -0.218) 3.376 8.502 ( 0.426 0.000 -0.973) 1.062 11.065 ( -0.810 0.000 0.667) 1.049 11.225 ( 0.623 0.000 -0.329) 0.704 11.391 ( 0.591 0.000 -0.725) 0.935 11.464 ( 1.335 0.000 -2.296) 2.656 11.599 ( -1.966 0.000 2.085) 2.865 11.628 ( -0.665 0.000 -0.293) 0.727 11.786 ( 0.542 0.000 1.756) 1.838 11.848 ( 0.259 0.000 0.350) 0.435 12.263 ( -0.687 0.000 1.540) 1.687 12.297 ( 0.158 0.000 0.220) 0.271 12.363 ( -0.522 0.000 0.103) 0.532 12.433 ( 0.930 0.000 -0.625) 1.121 12.504 ( -0.286 0.000 1.048) 1.087 12.517 ( -0.628 0.000 0.537) 0.826 12.594 ( 0.037 0.000 0.323) 0.325 12.627 ( 0.268 0.000 0.678) 0.729 12.634 ( 0.500 0.000 -0.404) 0.643 12.689 ( 0.249 0.000 -0.232) 0.341 12.745 ( -0.246 0.000 0.591) 0.641 12.868 ( 0.744 0.000 -0.607) 0.960 12.871 ( -0.937 0.000 0.458) 1.043 12.917 ( 1.018 0.000 -1.178) 1.557 12.974 ( -1.172 0.000 0.388) 1.235 12.994 ( -0.791 0.000 -0.073) 0.795 13.306 ( -0.372 0.000 0.711) 0.803 13.344 ( -0.116 0.000 0.318) 0.338 13.405 ( -0.385 0.000 0.110) 0.401 13.473 ( 0.377 0.000 -0.608) 0.715 13.933 ( 0.172 0.000 0.485) 0.514 13.938 ( 0.539 0.000 -0.821) 0.982 14.114 ( -0.661 0.000 -2.007) 2.113 14.187 ( -0.728 0.000 -3.585) 3.658 14.192 ( 0.302 0.000 1.877) 1.901 14.257 ( 0.337 0.000 1.490) 1.528 14.332 ( -0.014 0.000 -0.059) 0.061 14.381 ( 0.556 0.000 -0.324) 0.643 ======================= Grid point 54 (25/84) ======================= q-point: ( 0.00 0.25 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( 1.952 22.501 18.233) 29.027 1.031 ( 6.269 21.557 24.217) 33.023 1.648 ( -3.835 35.730 33.450) 49.094 1.975 ( 0.069 -20.062 4.620) 20.587 2.109 ( 0.281 -19.078 5.885) 19.967 2.639 ( 0.398 1.616 -0.041) 1.664 2.730 ( 0.114 -4.374 -3.268) 5.461 2.856 ( -0.384 0.826 -8.770) 8.817 2.932 ( 1.146 4.043 -8.245) 9.254 2.967 ( 0.046 1.826 -2.164) 2.832 3.098 ( 1.430 0.179 0.425) 1.502 3.116 ( 1.812 3.777 -4.586) 6.211 3.222 ( 1.552 -0.683 4.430) 4.743 3.248 ( -3.568 -6.971 10.713) 13.270 3.310 ( -2.345 -4.806 -1.964) 5.696 3.564 ( 2.680 -7.157 0.999) 7.707 3.654 ( 0.684 -4.319 -4.919) 6.582 3.731 ( 0.457 0.494 -2.269) 2.367 3.844 ( 1.693 -2.454 -2.018) 3.600 3.866 ( -4.226 -3.666 1.495) 5.791 3.962 ( -1.749 -2.708 -3.684) 4.895 4.010 ( -4.696 -1.453 -0.812) 4.983 4.091 ( -2.044 1.305 0.367) 2.452 4.117 ( -2.262 1.950 -0.194) 2.992 4.295 ( 3.909 0.555 6.947) 7.990 4.374 ( 1.437 3.193 -5.274) 6.331 4.486 ( 0.906 -2.689 4.508) 5.327 4.573 ( 1.481 0.195 0.109) 1.497 4.726 ( -1.111 0.164 -1.169) 1.621 4.832 ( -1.701 -2.627 0.267) 3.141 5.111 ( 1.927 2.054 -4.096) 4.970 5.123 ( -2.965 1.401 -2.633) 4.205 5.142 ( 2.171 5.069 -1.095) 5.622 5.277 ( -6.172 -0.970 1.015) 6.329 5.486 ( 2.263 -0.467 4.058) 4.669 5.565 ( 1.257 -0.954 2.922) 3.321 5.627 ( 2.891 4.113 1.405) 5.220 5.812 ( 0.445 -2.369 0.724) 2.517 5.880 ( -0.717 2.876 -4.424) 5.325 5.911 ( 1.410 1.956 0.692) 2.508 6.010 ( -0.452 5.276 -0.654) 5.336 6.086 ( -0.499 4.172 -0.563) 4.239 6.288 ( 1.251 -0.434 -0.112) 1.329 6.328 ( 0.530 -1.072 0.037) 1.197 6.337 ( 0.377 1.301 -1.504) 2.024 6.433 ( 1.587 2.042 2.463) 3.571 6.564 ( 0.076 -4.472 -1.381) 4.681 6.699 ( 0.300 -2.231 -2.603) 3.441 6.839 ( -0.550 3.320 0.378) 3.386 6.909 ( 1.557 -2.111 -2.779) 3.821 6.988 ( -3.377 -1.994 3.713) 5.400 7.099 ( 0.136 -3.134 0.919) 3.269 7.384 ( -0.492 -1.164 -3.366) 3.595 7.418 ( 0.774 -1.824 -1.734) 2.633 7.501 ( -0.514 2.385 -3.427) 4.207 7.598 ( -0.867 -0.849 -2.386) 2.676 7.880 ( 1.730 1.602 4.155) 4.777 7.924 ( 0.645 0.503 1.432) 1.649 8.249 ( 0.221 2.774 0.996) 2.956 8.435 ( -0.621 -3.428 -2.723) 4.422 11.093 ( 0.254 1.649 1.323) 2.129 11.210 ( 1.136 -2.425 0.185) 2.684 11.377 ( -0.329 0.346 -1.461) 1.537 11.440 ( -0.072 -0.718 -2.740) 2.834 11.594 ( -1.229 0.758 0.529) 1.537 11.621 ( 0.403 -0.313 0.014) 0.510 11.828 ( 0.328 -0.345 1.299) 1.384 11.845 ( -0.418 -0.374 -0.026) 0.562 12.279 ( -0.997 1.104 1.275) 1.959 12.320 ( -0.053 0.887 0.678) 1.118 12.350 ( -0.028 -0.083 0.116) 0.145 12.428 ( 0.361 -1.517 -0.785) 1.746 12.524 ( -0.652 0.889 0.492) 1.207 12.533 ( 0.221 0.580 1.240) 1.387 12.592 ( -0.091 0.048 0.115) 0.154 12.620 ( 0.066 -0.807 0.078) 0.813 12.644 ( 0.663 -0.811 0.553) 1.184 12.678 ( 0.034 -1.028 -0.568) 1.175 12.761 ( -0.417 0.857 0.954) 1.348 12.825 ( -0.616 -1.680 0.249) 1.807 12.893 ( 0.647 1.388 -0.781) 1.719 12.918 ( 0.616 0.776 -1.533) 1.825 12.959 ( -0.577 -0.098 0.229) 0.628 12.975 ( -0.371 -0.477 -0.512) 0.792 13.318 ( -0.169 0.335 1.185) 1.243 13.342 ( 0.027 -0.569 0.784) 0.969 13.411 ( -0.246 1.045 -0.370) 1.135 13.459 ( 0.175 -0.730 -0.937) 1.200 13.941 ( 0.022 0.173 0.185) 0.254 13.944 ( 0.449 0.126 -0.040) 0.468 14.085 ( 0.235 0.719 -2.794) 2.894 14.130 ( 0.349 -0.892 -3.055) 3.201 14.237 ( 0.040 0.665 2.552) 2.637 14.280 ( 0.197 -0.958 2.324) 2.521 14.341 ( 0.140 0.640 0.031) 0.656 14.374 ( 0.077 -0.576 -0.495) 0.763 ======================= Grid point 55 (26/84) ======================= q-point: ( 0.11 0.25 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( 11.578 13.058 20.551) 26.961 1.497 ( 8.437 16.068 25.432) 31.243 2.076 ( 4.479 -14.184 5.385) 15.819 2.200 ( 11.156 -0.077 19.687) 22.629 2.296 ( 9.637 5.792 19.651) 22.640 2.607 ( 1.393 -1.815 -8.985) 9.272 2.668 ( 1.181 -2.569 -4.722) 5.504 2.713 ( -0.011 3.418 -11.199) 11.709 2.836 ( -3.419 4.780 -2.486) 6.382 2.945 ( 4.126 -1.384 -7.185) 8.401 3.064 ( -0.634 6.058 -3.443) 6.996 3.108 ( 2.478 -1.880 -2.822) 4.200 3.247 ( -2.290 -1.946 1.444) 3.333 3.312 ( 0.107 -3.763 4.200) 5.640 3.383 ( -0.563 -1.857 9.994) 10.181 3.531 ( -1.788 -0.161 -7.171) 7.393 3.622 ( -0.470 -7.605 0.386) 7.629 3.702 ( 1.253 -3.268 -3.455) 4.918 3.794 ( -2.593 -2.898 -2.343) 4.539 3.818 ( -3.279 -1.149 -2.784) 4.453 3.896 ( -3.089 -3.602 1.012) 4.851 3.931 ( -4.413 -2.180 0.867) 4.998 4.085 ( -0.122 2.673 3.636) 4.514 4.094 ( -1.248 -2.265 2.066) 3.310 4.310 ( 0.557 4.742 -6.070) 7.723 4.443 ( 3.068 -0.648 3.931) 5.029 4.540 ( -2.259 -1.585 2.801) 3.932 4.589 ( -0.331 -0.945 -0.519) 1.128 4.671 ( -2.354 1.710 -0.320) 2.928 4.788 ( -2.905 -4.830 0.289) 5.644 5.012 ( -3.223 1.972 -4.047) 5.537 5.109 ( 3.159 0.337 -3.981) 5.093 5.161 ( 1.093 4.259 0.028) 4.397 5.202 ( -4.591 1.156 0.781) 4.798 5.554 ( 0.830 -0.476 2.805) 2.963 5.624 ( -0.969 -3.054 1.720) 3.637 5.691 ( 1.885 2.689 -0.550) 3.329 5.770 ( -1.457 1.696 0.101) 2.238 5.863 ( 1.192 2.237 0.055) 2.535 5.964 ( 2.091 -0.930 0.532) 2.350 5.990 ( -1.050 4.953 0.030) 5.063 6.064 ( 0.686 2.940 -0.639) 3.085 6.262 ( -0.566 0.886 -3.450) 3.607 6.325 ( 0.970 -0.698 -1.629) 2.020 6.390 ( 2.081 0.198 3.961) 4.479 6.487 ( 1.071 2.592 1.770) 3.316 6.552 ( 0.499 -2.923 -1.023) 3.136 6.658 ( -0.597 -2.691 -2.484) 3.710 6.823 ( -0.704 4.577 -0.608) 4.670 6.887 ( 0.562 -1.525 -2.679) 3.133 6.975 ( -3.768 -1.699 2.924) 5.063 7.108 ( 0.826 -2.313 -0.577) 2.523 7.340 ( 0.238 -1.139 -2.379) 2.648 7.406 ( 0.624 -2.343 -1.742) 2.986 7.472 ( 1.825 2.091 -2.246) 3.570 7.565 ( 0.526 -1.197 -2.234) 2.589 7.927 ( -1.997 2.872 0.470) 3.530 7.971 ( 2.006 0.845 4.415) 4.922 8.283 ( 1.870 0.029 1.069) 2.154 8.375 ( -0.972 -2.783 -4.001) 4.970 11.123 ( 0.733 1.724 1.750) 2.564 11.236 ( 1.359 -1.753 0.628) 2.305 11.346 ( -0.319 -0.539 -2.248) 2.334 11.398 ( -0.141 -0.894 -3.020) 3.153 11.572 ( -2.026 1.555 0.228) 2.565 11.628 ( 0.495 -0.498 -0.227) 0.737 11.834 ( -0.667 -0.230 0.122) 0.716 11.840 ( -0.065 -0.183 0.280) 0.341 12.280 ( -0.899 1.375 1.269) 2.076 12.333 ( 0.217 0.514 1.024) 1.166 12.355 ( 0.264 0.112 0.256) 0.384 12.419 ( 0.009 -1.098 -0.978) 1.470 12.528 ( -0.442 0.268 1.543) 1.628 12.553 ( -0.041 -0.047 1.352) 1.353 12.592 ( -0.314 0.765 0.485) 0.959 12.622 ( -0.135 -0.416 0.213) 0.486 12.653 ( 0.249 -1.020 -0.416) 1.129 12.666 ( -0.236 -0.981 -0.900) 1.353 12.767 ( -0.460 0.546 0.940) 1.180 12.819 ( -0.486 -1.412 0.118) 1.498 12.894 ( 0.642 1.603 -0.919) 1.956 12.910 ( 1.142 0.666 -1.436) 1.952 12.955 ( -0.330 -0.194 0.007) 0.383 12.967 ( 0.277 -0.492 -0.333) 0.655 13.336 ( 0.113 0.338 1.531) 1.572 13.357 ( 0.225 -0.448 0.972) 1.093 13.401 ( -0.069 1.002 -0.588) 1.164 13.448 ( 0.318 -0.728 -1.120) 1.373 13.936 ( -0.834 0.534 -0.022) 0.991 13.955 ( 0.589 -0.141 0.248) 0.654 14.059 ( 0.728 0.451 -2.225) 2.385 14.097 ( 0.606 -0.874 -3.135) 3.311 14.269 ( -0.210 0.598 2.284) 2.371 14.305 ( -0.368 -0.828 1.511) 1.762 14.344 ( 0.119 0.334 0.107) 0.371 14.366 ( -0.142 -0.459 -0.499) 0.693 ======================= Grid point 56 (27/84) ======================= q-point: ( 0.22 0.25 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( 12.205 6.459 16.957) 21.868 1.961 ( 9.247 12.050 21.953) 26.696 2.179 ( 3.168 -5.968 -1.873) 7.011 2.415 ( 3.464 -1.766 -3.068) 4.953 2.509 ( 3.295 0.878 -13.204) 13.638 2.553 ( 4.491 -3.579 -2.972) 6.466 2.588 ( 3.744 -1.951 -0.323) 4.234 2.728 ( -4.423 2.165 3.646) 6.127 2.874 ( 5.041 -3.512 -6.847) 9.199 2.943 ( 8.303 5.131 3.910) 10.515 3.056 ( 4.390 2.657 1.933) 5.484 3.140 ( 5.457 -0.935 0.114) 5.538 3.269 ( -0.403 1.301 6.989) 7.121 3.326 ( -2.017 1.619 -1.024) 2.782 3.424 ( -2.057 -5.496 0.846) 5.929 3.457 ( 0.330 0.310 0.189) 0.490 3.623 ( -2.997 -4.918 0.100) 5.760 3.641 ( -2.186 -0.916 -2.454) 3.411 3.720 ( -1.417 0.302 -0.819) 1.664 3.751 ( -0.430 -5.588 -2.587) 6.173 3.818 ( -2.738 2.783 -4.002) 5.591 3.938 ( -3.836 -2.565 8.164) 9.378 4.112 ( -1.652 -6.019 1.759) 6.484 4.176 ( -2.125 -0.374 8.313) 8.589 4.253 ( 1.655 6.766 -3.121) 7.633 4.443 ( -4.453 -0.287 -3.573) 5.716 4.461 ( -2.450 -0.111 -3.062) 3.924 4.558 ( -1.520 -2.093 0.422) 2.621 4.693 ( -1.208 2.080 4.630) 5.218 4.766 ( -1.403 -5.989 0.652) 6.186 4.948 ( 0.216 1.743 -1.210) 2.133 5.079 ( 2.033 -2.531 -7.071) 7.781 5.130 ( -4.714 3.716 0.036) 6.003 5.197 ( 1.022 2.898 2.729) 4.110 5.517 ( -6.672 0.139 -2.513) 7.131 5.610 ( 0.269 0.199 1.590) 1.624 5.684 ( 1.378 3.806 -1.748) 4.409 5.811 ( -0.451 0.076 1.863) 1.919 5.887 ( 0.298 -0.452 0.665) 0.858 5.954 ( 0.744 -1.982 -1.337) 2.504 6.008 ( 1.860 3.383 0.896) 3.963 6.090 ( 0.732 0.781 0.499) 1.181 6.214 ( 0.208 1.242 -2.094) 2.444 6.313 ( 1.394 -1.818 -2.454) 3.357 6.456 ( -1.019 1.181 2.628) 3.056 6.513 ( 1.372 1.704 -0.601) 2.269 6.554 ( 1.284 0.618 -0.615) 1.552 6.631 ( -0.018 -3.750 -0.508) 3.785 6.810 ( 0.131 4.901 -0.582) 4.937 6.865 ( -0.051 -0.074 -0.927) 0.932 6.947 ( -3.320 -1.688 1.768) 4.123 7.111 ( 1.144 -0.568 -1.295) 1.819 7.333 ( 1.095 -1.707 -0.518) 2.093 7.403 ( 1.494 -2.027 -0.982) 2.703 7.488 ( 2.037 0.823 -0.493) 2.252 7.551 ( 1.583 -0.952 -2.463) 3.079 7.890 ( -3.109 4.139 0.694) 5.223 8.052 ( 1.634 -1.008 3.143) 3.683 8.304 ( -0.785 -1.255 -3.503) 3.803 8.327 ( 1.565 -1.312 0.516) 2.107 11.157 ( 0.936 1.748 1.224) 2.330 11.265 ( 0.792 -0.182 0.771) 1.120 11.311 ( 0.724 -1.754 -3.261) 3.773 11.363 ( -0.442 -1.069 -1.144) 1.627 11.542 ( -2.052 1.969 0.617) 2.910 11.627 ( -0.011 -0.979 -0.498) 1.099 11.827 ( -0.478 0.111 0.247) 0.549 11.843 ( -0.026 -0.044 0.336) 0.340 12.288 ( -0.213 1.579 1.323) 2.071 12.351 ( 0.187 -0.451 0.947) 1.066 12.365 ( 0.462 0.559 0.498) 0.879 12.405 ( 0.051 -0.693 -1.124) 1.321 12.546 ( -0.111 0.029 1.626) 1.630 12.567 ( -0.318 0.010 1.523) 1.556 12.596 ( -0.386 0.575 0.881) 1.120 12.618 ( -0.368 -0.215 -0.392) 0.579 12.640 ( -0.408 -0.647 -1.195) 1.419 12.648 ( -0.276 -1.014 -1.190) 1.588 12.770 ( -0.604 0.361 0.681) 0.979 12.813 ( -0.466 -1.189 0.160) 1.287 12.888 ( 0.344 1.287 -0.888) 1.601 12.916 ( 1.501 0.456 -1.155) 1.948 12.950 ( -0.265 -0.328 0.168) 0.454 12.974 ( 0.655 -0.062 0.052) 0.660 13.361 ( 0.337 0.226 1.507) 1.560 13.371 ( 0.157 -0.219 0.568) 0.628 13.394 ( 0.137 1.003 -0.536) 1.146 13.443 ( 0.722 -0.751 -0.804) 1.316 13.917 ( -1.060 1.005 -0.375) 1.508 13.971 ( 0.570 -0.751 0.820) 1.249 14.047 ( 0.679 -0.082 -1.492) 1.641 14.067 ( 0.640 -0.451 -2.544) 2.662 14.290 ( -0.383 0.439 1.506) 1.615 14.307 ( -0.887 -0.291 0.405) 1.017 14.348 ( 0.045 0.015 0.191) 0.197 14.359 ( -0.051 -0.335 -0.307) 0.457 ======================= Grid point 57 (28/84) ======================= q-point: ( 0.33 0.25 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( 5.627 1.658 -3.129) 6.649 2.172 ( 5.394 -0.441 2.846) 6.115 2.305 ( 4.148 8.804 -8.140) 12.687 2.377 ( 6.047 7.501 11.030) 14.646 2.502 ( 6.510 0.030 -2.736) 7.061 2.574 ( -0.430 1.629 4.625) 4.923 2.630 ( -5.153 2.226 -2.102) 5.994 2.732 ( 5.819 -8.576 -4.487) 11.293 2.839 ( 6.422 0.521 -2.784) 7.018 3.103 ( 3.531 -4.084 1.242) 5.540 3.130 ( 2.586 -2.014 6.993) 7.723 3.235 ( 4.135 0.881 0.516) 4.259 3.284 ( -0.853 -1.635 -0.748) 1.990 3.331 ( -6.936 -2.802 -1.689) 7.669 3.404 ( 2.804 4.568 0.251) 5.366 3.491 ( 1.065 -7.843 -2.025) 8.170 3.528 ( 2.272 -5.797 -2.908) 6.873 3.624 ( 0.033 2.173 0.579) 2.249 3.681 ( -2.793 -1.440 -1.475) 3.471 3.749 ( 0.201 -0.275 -0.779) 0.850 3.840 ( 3.169 -3.744 7.962) 9.352 3.942 ( -3.187 1.881 1.425) 3.966 4.036 ( -6.888 -2.218 -1.855) 7.471 4.181 ( -7.013 -1.291 -3.602) 7.989 4.210 ( -5.864 3.419 7.057) 9.791 4.374 ( 0.912 6.543 0.979) 6.679 4.450 ( 0.159 0.896 0.516) 1.046 4.526 ( -3.682 -0.512 0.998) 3.849 4.727 ( 1.128 -2.478 -0.042) 2.723 4.758 ( -0.465 -2.571 1.654) 3.092 4.923 ( 1.101 -0.530 -6.647) 6.758 5.023 ( -1.046 -4.376 -0.098) 4.500 5.080 ( -1.191 6.014 1.030) 6.216 5.274 ( 1.714 2.409 5.091) 5.887 5.387 ( -5.760 2.527 -1.547) 6.478 5.612 ( 0.688 -0.452 -0.599) 1.018 5.694 ( 0.143 0.907 -0.841) 1.245 5.779 ( -3.865 -2.283 -3.607) 5.759 5.846 ( 1.197 1.658 -0.202) 2.054 6.018 ( -0.059 4.047 1.482) 4.310 6.046 ( 3.585 -2.373 0.621) 4.343 6.091 ( 0.783 0.225 -0.734) 1.097 6.217 ( 1.218 0.877 -0.315) 1.534 6.310 ( 1.138 -2.437 -1.250) 2.966 6.446 ( 0.378 3.089 -1.725) 3.559 6.498 ( -1.682 -0.499 -0.071) 1.756 6.563 ( 1.052 -1.175 -2.625) 3.063 6.632 ( 0.283 -4.587 0.045) 4.596 6.807 ( 0.528 5.454 -0.883) 5.550 6.857 ( -0.381 1.561 -0.587) 1.711 6.933 ( -2.157 -0.144 3.038) 3.728 7.115 ( 0.478 1.349 0.314) 1.466 7.349 ( 1.419 -2.264 -0.586) 2.735 7.427 ( 1.925 -2.319 0.194) 3.020 7.518 ( 0.987 0.031 1.417) 1.727 7.551 ( 2.033 -0.597 -1.604) 2.657 7.853 ( -2.386 4.320 0.388) 4.951 8.095 ( 1.053 -4.048 -0.722) 4.244 8.264 ( -0.251 1.455 -0.217) 1.492 8.356 ( 0.680 -1.609 0.941) 1.984 11.179 ( 0.810 1.437 -0.236) 1.667 11.277 ( -0.996 1.915 1.640) 2.711 11.286 ( 2.397 -2.542 -4.456) 5.662 11.361 ( -0.243 -0.937 1.607) 1.875 11.529 ( -1.378 1.321 1.487) 2.420 11.619 ( -0.290 -1.551 -0.192) 1.589 11.822 ( -0.464 0.514 0.116) 0.703 11.846 ( -0.213 -0.112 0.356) 0.429 12.306 ( 0.261 1.513 0.972) 1.817 12.358 ( -0.406 -0.290 0.452) 0.673 12.377 ( 0.205 0.183 0.022) 0.275 12.396 ( 0.516 -0.526 -0.633) 0.972 12.566 ( 0.219 0.116 1.256) 1.281 12.589 ( -0.121 0.511 1.309) 1.410 12.595 ( -0.506 -0.560 -0.916) 1.187 12.599 ( -0.488 0.028 -0.095) 0.498 12.616 ( -0.185 -0.271 -1.335) 1.375 12.631 ( -0.589 -0.738 0.006) 0.944 12.767 ( -0.683 0.356 0.532) 0.936 12.809 ( -0.396 -1.165 0.295) 1.265 12.885 ( 0.364 1.182 -0.454) 1.317 12.923 ( 1.122 -0.196 -0.945) 1.480 12.953 ( -0.080 0.051 0.599) 0.607 12.987 ( 0.510 0.143 0.328) 0.623 13.375 ( -0.008 0.014 -0.144) 0.145 13.379 ( 0.250 -0.180 0.034) 0.310 13.394 ( 0.129 1.294 0.576) 1.422 13.449 ( 0.880 -0.747 -0.361) 1.209 13.896 ( -0.765 1.254 -0.308) 1.501 13.990 ( 0.306 -2.219 0.340) 2.266 14.032 ( 0.364 0.512 -0.994) 1.176 14.063 ( 0.913 -0.233 -0.235) 0.971 14.293 ( -0.729 0.042 -0.365) 0.817 14.296 ( -0.540 0.022 0.430) 0.691 14.349 ( -0.026 0.097 0.092) 0.136 14.357 ( 0.102 -0.056 -0.195) 0.227 ======================= Grid point 58 (29/84) ======================= q-point: ( 0.44 0.25 -0.83) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( 9.460 3.352 -1.251) 10.114 2.246 ( 6.573 7.317 -9.288) 13.528 2.277 ( -1.640 -0.714 2.671) 3.214 2.414 ( -6.989 7.907 -5.876) 12.078 2.546 ( -3.643 2.700 5.408) 7.057 2.595 ( 3.403 0.396 -1.141) 3.611 2.638 ( -0.665 3.796 3.942) 5.513 2.763 ( 6.792 -11.231 -6.762) 14.765 2.970 ( 6.145 1.093 3.809) 7.312 3.120 ( -1.306 0.491 -2.717) 3.055 3.143 ( -2.266 -2.182 -1.356) 3.426 3.278 ( -3.713 -2.353 3.573) 5.665 3.294 ( 3.566 -6.476 3.429) 8.150 3.317 ( -2.142 -4.857 1.352) 5.478 3.367 ( -2.275 -1.932 6.035) 6.732 3.551 ( 8.511 1.954 -4.824) 9.977 3.567 ( 4.895 -5.950 -0.599) 7.728 3.635 ( -2.262 1.221 -1.079) 2.788 3.667 ( 2.588 -2.260 2.727) 4.387 3.746 ( 1.533 -1.635 -1.962) 2.979 3.856 ( -3.277 -1.417 -1.510) 3.876 3.906 ( -5.255 0.426 -0.481) 5.294 3.956 ( -3.129 0.773 1.690) 3.639 4.078 ( -0.934 -1.295 -0.069) 1.598 4.180 ( -6.362 4.965 4.829) 9.405 4.368 ( -1.827 -1.091 -1.359) 2.525 4.435 ( -0.283 2.461 0.567) 2.541 4.499 ( -2.199 6.302 0.665) 6.708 4.696 ( -0.741 -2.824 -3.914) 4.883 4.789 ( 0.980 -3.122 -1.065) 3.441 4.879 ( 1.172 1.547 -1.203) 2.283 5.016 ( -0.872 -4.252 0.820) 4.417 5.145 ( 3.012 3.964 6.081) 7.859 5.278 ( -4.730 -0.791 -1.299) 4.969 5.346 ( -0.734 6.904 1.742) 7.158 5.644 ( -0.935 -0.920 -1.816) 2.240 5.653 ( 1.652 -0.780 -1.760) 2.537 5.692 ( 1.108 -5.073 -0.133) 5.194 5.889 ( 1.223 5.204 0.026) 5.346 5.994 ( -0.371 4.161 -0.802) 4.253 6.058 ( -1.390 0.501 -0.619) 1.602 6.133 ( 2.501 -2.512 -1.930) 4.036 6.214 ( 0.300 1.607 -0.868) 1.851 6.328 ( 0.743 -2.639 1.659) 3.205 6.421 ( 0.675 1.511 -4.059) 4.383 6.492 ( -0.177 0.267 1.683) 1.713 6.531 ( 1.820 -4.301 -3.740) 5.983 6.647 ( 0.876 -4.651 0.917) 4.821 6.795 ( -0.554 5.232 -1.554) 5.486 6.828 ( -0.310 3.763 -2.136) 4.338 6.944 ( -2.005 1.252 2.643) 3.546 7.142 ( 0.582 0.966 2.402) 2.654 7.355 ( 0.511 -1.849 -0.724) 2.051 7.461 ( 0.810 -2.801 1.374) 3.223 7.553 ( 0.074 -0.190 2.226) 2.235 7.573 ( 1.672 -0.516 0.201) 1.762 7.825 ( -1.151 4.182 -0.259) 4.345 8.066 ( 0.360 -4.287 -4.443) 6.185 8.293 ( 0.402 1.365 3.480) 3.760 8.373 ( -0.300 -1.380 1.237) 1.878 11.178 ( 0.353 1.079 -1.246) 1.686 11.264 ( 1.859 -1.819 -3.918) 4.703 11.292 ( -0.549 1.990 2.554) 3.284 11.388 ( 0.029 -0.092 2.363) 2.365 11.532 ( -1.329 0.057 1.956) 2.365 11.620 ( 0.101 -1.921 0.712) 2.051 11.816 ( -0.256 0.819 -0.060) 0.860 11.845 ( -0.342 -0.054 0.148) 0.377 12.311 ( -0.501 1.586 -0.271) 1.686 12.358 ( -0.305 -0.160 0.509) 0.615 12.373 ( 0.076 0.317 -0.636) 0.714 12.401 ( 0.462 -0.777 -0.110) 0.911 12.556 ( -0.807 -0.045 -1.859) 2.027 12.569 ( -0.621 -0.698 -1.796) 2.025 12.586 ( -0.033 0.134 0.222) 0.261 12.607 ( 0.534 0.029 0.848) 1.003 12.625 ( 0.622 -0.023 1.320) 1.460 12.628 ( -0.484 -0.056 0.667) 0.826 12.765 ( -0.550 0.418 0.588) 0.908 12.809 ( -0.218 -1.297 0.523) 1.415 12.887 ( 0.414 1.273 -0.053) 1.339 12.928 ( 0.749 -0.125 -0.686) 1.024 12.961 ( -0.207 -0.135 1.020) 1.050 12.998 ( 0.060 0.041 0.680) 0.684 13.370 ( 0.063 0.038 -0.578) 0.583 13.373 ( -0.067 0.140 -0.948) 0.961 13.407 ( -0.142 0.904 0.988) 1.347 13.456 ( 0.503 -0.688 -0.277) 0.896 13.887 ( -0.099 1.184 0.020) 1.188 13.978 ( -0.066 -2.034 -1.655) 2.623 14.053 ( 0.695 0.185 2.051) 2.174 14.081 ( 0.587 -0.169 1.033) 1.200 14.277 ( -0.139 0.136 -0.934) 0.954 14.286 ( -0.477 -0.197 -0.595) 0.788 14.349 ( -0.112 0.205 -0.014) 0.234 14.355 ( 0.145 0.051 -0.314) 0.349 ======================= Grid point 59 (30/84) ======================= q-point: (-0.44 0.25 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( -11.966 8.675 -9.429) 17.531 2.117 ( -14.834 6.906 -3.760) 16.789 2.317 ( 9.171 2.722 3.191) 10.084 2.368 ( 3.239 3.836 2.239) 5.497 2.507 ( -4.066 -0.455 -1.684) 4.424 2.614 ( 1.401 -4.964 -4.437) 6.804 2.627 ( 2.713 -2.558 -0.394) 3.750 2.774 ( 2.514 -3.974 -2.036) 5.124 2.961 ( -7.110 -0.424 -2.861) 7.676 3.104 ( 5.628 -2.076 1.322) 6.143 3.190 ( -0.468 -2.674 3.468) 4.404 3.236 ( -0.257 -3.853 -1.801) 4.261 3.342 ( -3.494 1.246 4.054) 5.495 3.353 ( 0.519 -5.261 2.798) 5.982 3.448 ( -2.826 -3.688 -0.438) 4.667 3.494 ( -8.350 5.193 1.316) 9.920 3.626 ( -2.818 -6.422 2.158) 7.338 3.650 ( 3.858 0.382 2.550) 4.640 3.716 ( -1.203 3.610 -1.807) 4.212 3.721 ( -0.440 -0.327 -2.524) 2.583 3.755 ( 0.793 1.103 1.318) 1.893 3.879 ( -1.885 0.096 3.593) 4.059 3.964 ( 3.803 -0.709 0.720) 3.935 4.072 ( 1.510 -4.303 -0.997) 4.668 4.245 ( 4.689 2.229 5.558) 7.606 4.349 ( 3.997 -1.914 -1.115) 4.570 4.440 ( -3.563 6.807 -1.394) 7.808 4.472 ( 1.101 0.667 0.898) 1.570 4.611 ( -1.728 -1.071 -4.709) 5.129 4.747 ( -0.397 -2.953 -5.441) 6.204 4.906 ( 1.707 1.551 1.383) 2.689 5.013 ( -0.277 -0.567 0.402) 0.748 5.194 ( -0.105 1.580 -3.112) 3.491 5.246 ( -3.689 -3.715 2.289) 5.714 5.392 ( 5.337 3.193 5.585) 8.358 5.576 ( -0.185 0.609 -2.956) 3.023 5.694 ( 0.598 -0.074 1.044) 1.206 5.740 ( 3.090 -0.370 -1.626) 3.512 5.897 ( 0.303 5.273 2.071) 5.673 5.986 ( -1.617 -1.472 -4.203) 4.738 6.012 ( -0.048 0.727 0.487) 0.876 6.103 ( -0.266 1.927 -2.652) 3.289 6.224 ( 1.023 1.866 0.037) 2.128 6.350 ( -0.692 -1.104 -0.893) 1.579 6.371 ( 1.026 -0.381 -2.859) 3.061 6.523 ( 2.342 -1.110 0.101) 2.593 6.536 ( 1.842 -3.138 -1.346) 3.879 6.670 ( -0.688 -3.261 1.288) 3.573 6.762 ( 0.904 3.999 -1.637) 4.415 6.809 ( 0.865 4.597 -1.424) 4.890 6.934 ( -2.398 1.673 1.590) 3.329 7.179 ( 0.109 -2.406 1.014) 2.613 7.360 ( -0.534 -0.313 2.145) 2.232 7.484 ( -0.644 -2.645 1.783) 3.254 7.574 ( -0.778 0.133 1.608) 1.791 7.604 ( 0.696 -0.953 1.364) 1.803 7.815 ( 0.473 3.841 -0.065) 3.870 8.002 ( -0.042 -2.636 -5.358) 5.971 8.352 ( 0.424 -0.403 3.833) 3.878 8.377 ( -1.191 -0.844 1.173) 1.873 11.159 ( -0.368 1.167 -1.514) 1.947 11.241 ( 1.137 -1.308 -3.037) 3.497 11.327 ( 0.333 0.942 2.828) 2.999 11.421 ( 0.148 0.567 2.284) 2.358 11.537 ( -1.417 -0.501 2.327) 2.770 11.636 ( 0.246 -1.889 1.031) 2.166 11.814 ( 0.018 0.662 -0.028) 0.663 11.840 ( -0.237 0.276 -0.213) 0.422 12.289 ( -1.054 1.910 -0.587) 2.259 12.350 ( -0.359 0.288 -1.064) 1.159 12.370 ( -0.240 -0.093 0.299) 0.395 12.407 ( 0.473 -0.884 0.000) 1.003 12.526 ( -0.147 -0.465 -1.299) 1.388 12.532 ( -0.484 -0.710 -1.962) 2.142 12.585 ( -0.161 0.778 0.088) 0.800 12.626 ( -0.540 0.733 0.386) 0.989 12.637 ( 1.093 -0.669 0.831) 1.527 12.650 ( 0.463 -0.331 0.863) 1.034 12.764 ( -0.484 0.591 0.469) 0.896 12.817 ( -0.019 -1.516 0.847) 1.737 12.896 ( 0.477 1.483 0.202) 1.570 12.927 ( 0.362 0.489 -0.749) 0.965 12.975 ( -0.413 -0.703 1.676) 1.864 13.004 ( -0.606 -0.255 0.801) 1.036 13.353 ( -0.458 0.234 -1.211) 1.316 13.362 ( 0.022 -0.169 -0.900) 0.916 13.415 ( -0.358 0.829 0.827) 1.224 13.458 ( 0.166 -0.624 -0.144) 0.662 13.893 ( 0.574 0.861 0.255) 1.066 13.957 ( 0.154 -1.399 -1.439) 2.013 14.090 ( 0.051 0.208 2.257) 2.268 14.112 ( 0.539 -0.201 2.428) 2.495 14.263 ( 0.127 0.008 -1.480) 1.486 14.265 ( 0.008 0.016 -1.533) 1.534 14.346 ( -0.082 0.061 -0.140) 0.173 14.353 ( 0.209 -0.126 -0.317) 0.400 ======================= Grid point 60 (31/84) ======================= q-point: (-0.33 0.25 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( -20.752 11.375 -10.142) 25.747 1.763 ( -22.431 11.350 -4.260) 25.497 2.288 ( -10.667 -10.057 -1.704) 14.759 2.370 ( -7.034 -7.909 -3.123) 11.035 2.481 ( 5.596 1.984 -4.068) 7.198 2.643 ( -1.532 0.090 -0.921) 1.790 2.694 ( 7.192 -2.805 3.688) 8.555 2.819 ( 4.160 -1.881 4.154) 6.172 2.890 ( -26.399 11.029 -12.121) 31.072 2.931 ( 3.324 3.395 1.284) 4.921 3.155 ( 1.672 -0.890 -5.193) 5.528 3.236 ( 0.544 -5.298 0.108) 5.327 3.274 ( -0.126 -1.228 3.333) 3.555 3.359 ( -4.494 4.133 0.126) 6.107 3.364 ( -3.121 -0.262 2.271) 3.869 3.505 ( -1.194 -9.143 0.899) 9.264 3.637 ( -0.639 0.635 5.397) 5.472 3.677 ( 0.689 0.281 0.452) 0.870 3.746 ( 1.172 1.124 5.618) 5.848 3.780 ( 0.251 -2.998 4.713) 5.592 3.839 ( 4.963 0.355 2.936) 5.778 3.902 ( 0.874 0.273 0.525) 1.055 4.035 ( 1.990 -6.865 0.694) 7.182 4.062 ( -0.301 -4.036 -1.052) 4.181 4.337 ( -0.011 5.526 -0.949) 5.607 4.428 ( 4.187 -1.790 0.614) 4.595 4.459 ( 5.964 1.179 1.505) 6.263 4.487 ( -0.239 -1.203 -3.149) 3.380 4.557 ( 3.435 1.278 0.178) 3.669 4.674 ( 1.379 -4.056 -4.008) 5.867 4.971 ( 2.590 1.546 3.139) 4.353 5.033 ( 2.448 1.604 0.243) 2.937 5.157 ( -0.284 4.595 -2.426) 5.204 5.211 ( 0.099 -2.424 -0.786) 2.550 5.511 ( 1.059 -1.334 -0.676) 1.832 5.592 ( 1.796 -3.090 2.989) 4.659 5.696 ( 0.319 0.459 -1.602) 1.696 5.724 ( 0.344 1.322 -2.178) 2.571 5.922 ( -0.951 1.608 -0.289) 1.890 5.935 ( 1.190 8.538 0.464) 8.633 6.010 ( -1.078 -1.215 -0.215) 1.639 6.061 ( -0.308 3.733 -3.304) 4.995 6.250 ( 1.802 0.747 0.554) 2.027 6.318 ( 1.270 2.859 -2.307) 3.887 6.356 ( -0.278 -3.290 -1.683) 3.706 6.521 ( -1.282 0.211 -1.499) 1.983 6.569 ( 2.873 -2.438 0.079) 3.769 6.668 ( -0.698 -3.180 1.209) 3.473 6.789 ( 2.618 1.800 0.469) 3.211 6.818 ( 2.570 5.118 -1.944) 6.048 6.920 ( -2.196 -0.233 2.407) 3.266 7.158 ( -1.553 -4.369 -1.848) 4.992 7.394 ( -1.009 0.319 4.038) 4.175 7.491 ( -1.043 -2.111 1.420) 2.750 7.572 ( -1.481 0.650 0.995) 1.899 7.628 ( -0.461 -1.592 1.873) 2.501 7.845 ( 2.534 2.543 1.027) 3.734 7.925 ( -0.392 -0.547 -5.544) 5.585 8.355 ( -2.541 -0.007 0.474) 2.584 8.411 ( 0.606 -1.913 3.035) 3.639 11.128 ( -0.947 1.392 -1.302) 2.129 11.220 ( 0.751 -1.534 -2.356) 2.910 11.368 ( 0.196 0.345 2.305) 2.339 11.452 ( 0.444 0.563 1.630) 1.781 11.553 ( -0.796 -0.373 2.608) 2.752 11.648 ( -0.205 -1.606 0.443) 1.679 11.813 ( -0.019 0.603 -0.183) 0.630 11.834 ( -0.022 0.363 -0.300) 0.471 12.270 ( -0.760 1.899 0.107) 2.048 12.327 ( -0.422 1.056 -1.118) 1.595 12.368 ( -0.567 -0.637 0.310) 0.907 12.415 ( 0.584 -0.966 -0.124) 1.136 12.502 ( -0.328 -0.551 -1.133) 1.302 12.522 ( 0.840 -0.696 -0.727) 1.311 12.586 ( -0.140 1.042 0.421) 1.133 12.618 ( -0.384 0.577 -0.285) 0.749 12.657 ( 0.287 -0.398 -0.135) 0.509 12.664 ( 0.475 -0.884 0.540) 1.139 12.761 ( -0.551 0.914 0.421) 1.147 12.828 ( -0.088 -1.712 0.839) 1.909 12.904 ( 0.340 1.810 -0.208) 1.853 12.923 ( 0.339 0.634 -0.385) 0.816 12.989 ( -0.832 -0.753 1.694) 2.032 13.000 ( -1.075 -0.611 0.686) 1.414 13.329 ( -0.609 0.289 -0.943) 1.159 13.348 ( -0.135 -0.463 -0.910) 1.029 13.419 ( -0.413 0.923 0.703) 1.232 13.460 ( 0.191 -0.598 0.041) 0.629 13.909 ( 0.837 0.475 0.227) 0.989 13.945 ( 0.435 -0.814 -1.094) 1.431 14.117 ( -0.451 0.777 2.394) 2.557 14.155 ( 0.226 -0.607 2.801) 2.875 14.232 ( -0.396 0.340 -2.312) 2.370 14.253 ( 0.875 -0.538 -2.095) 2.333 14.343 ( -0.025 0.164 -0.195) 0.256 14.357 ( 0.560 -0.337 -0.056) 0.656 ======================= Grid point 61 (32/84) ======================= q-point: (-0.22 0.25 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( -23.299 16.491 -6.335) 29.239 1.314 ( -25.953 15.554 -3.405) 30.448 2.066 ( -29.598 13.328 -5.455) 32.916 2.097 ( -17.332 -4.086 -1.526) 17.872 2.208 ( -7.817 -17.471 -1.488) 19.198 2.592 ( 2.267 2.026 -1.883) 3.576 2.705 ( 2.772 -2.066 -0.191) 3.462 2.865 ( 7.106 0.095 2.750) 7.621 2.930 ( 2.880 0.082 2.124) 3.580 3.009 ( 3.372 2.592 0.355) 4.267 3.103 ( -0.001 -1.476 -3.743) 4.023 3.179 ( -2.968 -3.713 -3.250) 5.758 3.236 ( -7.594 0.201 -0.700) 7.629 3.290 ( -2.901 2.392 0.971) 3.884 3.360 ( -1.596 -0.909 2.566) 3.155 3.534 ( 3.026 -9.755 -0.653) 10.235 3.655 ( -0.015 1.727 1.071) 2.032 3.746 ( 0.122 -0.126 2.266) 2.272 3.806 ( -1.151 -5.068 1.001) 5.292 3.867 ( 4.305 2.501 6.919) 8.524 3.922 ( 2.015 -1.277 -0.068) 2.387 3.951 ( 2.874 -3.232 1.837) 4.699 4.048 ( 1.946 -2.561 0.912) 3.343 4.088 ( 0.384 -2.143 3.192) 3.864 4.328 ( -3.133 0.876 -3.058) 4.464 4.392 ( 0.882 3.564 -0.829) 3.764 4.465 ( 1.043 -3.522 -1.299) 3.896 4.528 ( 1.418 -2.451 -2.415) 3.722 4.645 ( 6.207 -0.523 0.001) 6.229 4.742 ( 5.213 -2.581 2.045) 6.166 5.073 ( 2.422 3.489 -1.203) 4.414 5.082 ( 2.937 0.886 7.263) 7.884 5.156 ( 2.358 4.195 0.459) 4.834 5.211 ( 0.728 0.489 -1.420) 1.669 5.497 ( -0.429 -1.488 -1.764) 2.347 5.550 ( -1.581 -1.659 -3.120) 3.872 5.659 ( -1.345 2.594 -3.132) 4.284 5.781 ( 2.433 -1.619 2.166) 3.637 5.910 ( -0.732 1.712 -1.230) 2.232 5.951 ( -0.505 3.828 1.522) 4.150 5.995 ( 0.542 5.453 1.501) 5.682 6.026 ( 1.345 4.606 -3.401) 5.881 6.264 ( 0.946 -0.260 -2.020) 2.246 6.329 ( -0.219 -2.054 -1.016) 2.302 6.339 ( 1.815 3.084 0.452) 3.607 6.469 ( -2.335 1.806 -1.555) 3.337 6.598 ( 0.379 -4.080 -0.044) 4.098 6.688 ( 1.618 -3.537 0.227) 3.897 6.817 ( 1.220 5.704 -2.161) 6.220 6.846 ( 3.091 0.098 0.760) 3.185 6.942 ( -0.398 -2.295 3.609) 4.296 7.105 ( -1.385 -4.134 -1.599) 4.644 7.419 ( -1.131 -0.231 2.131) 2.424 7.485 ( -1.265 -2.213 -0.000) 2.549 7.562 ( -0.937 1.566 0.932) 2.049 7.636 ( -1.043 -1.338 1.077) 2.009 7.849 ( -0.525 1.432 -3.958) 4.241 7.909 ( 2.656 -0.525 1.011) 2.890 8.306 ( -3.530 1.603 -0.199) 3.882 8.452 ( 0.529 -3.009 1.476) 3.393 11.098 ( -0.992 1.542 -0.673) 1.953 11.203 ( 0.566 -2.064 -1.598) 2.671 11.391 ( -0.109 0.725 0.975) 1.220 11.473 ( 0.314 -0.049 0.332) 0.460 11.577 ( -0.308 -0.216 2.072) 2.106 11.641 ( -0.695 -1.058 -0.277) 1.296 11.806 ( -0.229 0.975 -0.544) 1.140 11.836 ( 0.304 -0.029 0.284) 0.417 12.268 ( -0.463 1.498 0.922) 1.819 12.313 ( -0.095 1.285 -0.267) 1.316 12.361 ( -0.664 -0.690 0.173) 0.973 12.422 ( 0.682 -1.159 -0.388) 1.400 12.493 ( 0.316 0.159 -0.081) 0.363 12.528 ( 0.555 -0.247 -0.152) 0.627 12.591 ( -0.170 0.749 0.551) 0.945 12.611 ( 0.136 -0.167 -0.257) 0.336 12.647 ( -0.435 -0.215 -0.841) 0.971 12.675 ( 0.424 -0.997 0.036) 1.084 12.758 ( -0.612 1.167 0.513) 1.414 12.833 ( -0.418 -1.791 0.574) 1.927 12.901 ( 0.190 1.465 -0.674) 1.624 12.927 ( 0.513 0.813 -0.342) 1.020 12.984 ( -1.417 -0.436 0.605) 1.601 12.997 ( -0.882 -0.700 0.832) 1.400 13.313 ( -0.456 0.319 -0.159) 0.579 13.337 ( -0.149 -0.632 -0.303) 0.716 13.420 ( -0.374 1.025 0.450) 1.180 13.464 ( 0.277 -0.639 -0.070) 0.699 13.924 ( 0.714 0.241 0.073) 0.757 13.941 ( 0.562 -0.262 -0.769) 0.988 14.139 ( -0.621 0.826 1.731) 2.016 14.180 ( -0.339 -0.715 -0.153) 0.806 14.204 ( 0.082 0.175 -0.334) 0.386 14.236 ( 0.600 -0.925 -1.687) 2.015 14.341 ( 0.073 0.501 -0.136) 0.525 14.367 ( 0.671 -0.466 -0.001) 0.817 ======================= Grid point 62 (33/84) ======================= q-point: (-0.11 0.25 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( -14.305 25.914 5.637) 30.132 0.909 ( -20.117 23.759 4.337) 31.433 1.574 ( -29.528 38.926 17.220) 51.804 1.972 ( -5.548 -21.322 2.286) 22.150 2.100 ( -4.106 -21.211 0.427) 21.609 2.620 ( 1.366 3.573 0.965) 3.945 2.734 ( 1.761 -4.977 -1.255) 5.427 2.944 ( 0.637 2.622 -3.555) 4.463 2.974 ( 1.731 -2.435 0.837) 3.102 3.030 ( -1.056 4.466 -4.138) 6.179 3.051 ( 0.382 -4.792 0.693) 4.857 3.133 ( 1.683 -0.028 -2.968) 3.412 3.162 ( 0.021 1.934 1.357) 2.363 3.236 ( -5.870 -1.693 3.041) 6.824 3.366 ( -1.276 -2.627 0.144) 2.924 3.531 ( 1.121 -7.294 -2.182) 7.696 3.673 ( 1.780 -1.223 -1.429) 2.589 3.748 ( -0.378 0.711 -0.543) 0.971 3.822 ( 1.613 -2.167 0.534) 2.753 3.911 ( -1.505 -4.581 -0.797) 4.888 3.995 ( 2.875 -1.848 -0.287) 3.430 4.023 ( 2.471 -0.292 2.343) 3.418 4.103 ( -0.201 -1.583 2.392) 2.876 4.142 ( -1.230 -2.441 3.900) 4.762 4.208 ( -2.663 3.679 -1.800) 4.885 4.407 ( 1.541 4.355 -2.375) 5.195 4.449 ( -1.012 -5.478 -0.070) 5.571 4.542 ( 2.979 -1.193 -0.470) 3.243 4.723 ( 2.773 -0.246 -0.152) 2.788 4.817 ( 1.782 -2.208 1.271) 3.109 5.097 ( 2.747 5.595 -0.922) 6.301 5.163 ( -0.994 4.216 -1.293) 4.521 5.179 ( 0.185 0.761 -2.399) 2.524 5.261 ( 2.278 -2.929 7.739) 8.583 5.476 ( -2.957 -1.127 -0.203) 3.171 5.501 ( 1.695 3.138 -1.104) 3.734 5.616 ( -0.372 1.675 -0.653) 1.836 5.795 ( 0.085 -2.933 -0.670) 3.010 5.890 ( 0.018 3.998 0.355) 4.013 5.963 ( -0.183 3.827 -5.232) 6.485 5.997 ( 1.928 3.015 1.186) 3.770 6.061 ( 1.309 4.793 2.664) 5.638 6.261 ( 1.290 -0.418 -0.288) 1.386 6.327 ( 0.095 -2.241 0.587) 2.319 6.355 ( 0.846 2.709 -1.608) 3.262 6.415 ( -1.360 2.350 -1.150) 2.948 6.585 ( -0.440 -4.962 -1.187) 5.120 6.709 ( 1.434 -2.206 -1.097) 2.851 6.823 ( 0.907 4.166 0.714) 4.323 6.899 ( 2.988 -1.416 -0.818) 3.406 6.980 ( -1.593 -2.662 3.710) 4.837 7.084 ( -0.150 -3.413 0.430) 3.443 7.417 ( -0.273 -0.919 -0.574) 1.118 7.449 ( -1.153 -1.724 -2.128) 2.971 7.554 ( -0.798 1.697 -1.567) 2.444 7.629 ( 0.150 -0.410 -0.726) 0.847 7.824 ( 0.369 1.862 0.948) 2.122 7.922 ( -1.276 -2.275 -0.631) 2.684 8.255 ( -2.180 3.807 0.321) 4.399 8.463 ( 0.035 -3.504 -0.660) 3.566 11.083 ( -0.460 1.625 0.290) 1.714 11.198 ( 0.711 -2.478 -0.662) 2.661 11.393 ( -0.174 0.960 -0.262) 1.010 11.468 ( 0.015 -0.475 -1.374) 1.454 11.594 ( -0.347 0.038 1.203) 1.252 11.624 ( -0.573 -0.489 -0.365) 0.837 11.802 ( -0.027 1.310 0.974) 1.632 11.845 ( 0.135 -0.374 0.355) 0.534 12.275 ( -0.623 1.128 1.266) 1.806 12.314 ( -0.027 1.134 0.373) 1.194 12.353 ( -0.465 -0.439 0.085) 0.645 12.428 ( 0.816 -1.579 -0.580) 1.869 12.508 ( 0.798 0.791 0.742) 1.347 12.532 ( -0.212 0.668 0.163) 0.719 12.592 ( -0.113 -0.064 0.035) 0.134 12.617 ( 0.408 -1.121 0.152) 1.203 12.631 ( -0.223 0.371 -0.109) 0.446 12.680 ( 0.368 -1.076 -0.282) 1.172 12.757 ( -0.513 1.141 0.744) 1.456 12.831 ( -0.657 -1.833 0.427) 1.993 12.896 ( 0.335 1.198 -0.714) 1.435 12.926 ( 0.527 0.690 -1.003) 1.326 12.969 ( -1.087 -0.202 0.335) 1.155 12.989 ( -0.776 -0.477 0.019) 0.911 13.310 ( -0.321 0.324 0.632) 0.780 13.335 ( -0.091 -0.644 0.346) 0.736 13.418 ( -0.350 1.053 0.031) 1.110 13.465 ( 0.233 -0.702 -0.480) 0.882 13.934 ( 0.556 0.152 0.004) 0.577 13.941 ( 0.389 0.059 -0.336) 0.517 14.122 ( -0.476 0.701 -2.222) 2.378 14.169 ( 0.033 -1.138 -2.531) 2.776 14.203 ( -0.100 0.796 1.894) 2.057 14.247 ( 0.214 -0.867 1.765) 1.978 14.340 ( 0.019 0.690 -0.106) 0.698 14.375 ( 0.444 -0.579 -0.245) 0.770 ======================= Grid point 63 (34/84) ======================= q-point: ( 0.00 -0.50 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( 1.275 -25.333 8.798) 26.848 1.468 ( 1.275 25.333 8.798) 26.848 1.567 ( 4.011 -25.769 11.338) 28.437 1.567 ( 4.011 25.769 11.338) 28.437 2.494 ( -1.893 -32.709 16.674) 36.762 2.494 ( -1.893 32.709 16.674) 36.762 2.669 ( -0.293 -3.070 -3.072) 4.353 2.669 ( -0.293 3.070 -3.072) 4.353 3.002 ( -0.174 -3.583 -3.775) 5.208 3.002 ( -0.174 3.583 -3.775) 5.208 3.041 ( 0.117 -4.442 -2.605) 5.151 3.041 ( 0.117 4.442 -2.605) 5.151 3.237 ( -0.299 -1.917 -0.477) 1.998 3.237 ( -0.299 1.917 -0.477) 1.998 3.341 ( 0.983 -10.361 0.546) 10.421 3.341 ( 0.983 10.361 0.546) 10.421 3.691 ( 2.261 -4.180 -5.870) 7.553 3.691 ( 2.261 4.180 -5.870) 7.553 3.849 ( -1.901 -0.451 -0.944) 2.171 3.849 ( -1.901 0.451 -0.944) 2.171 3.935 ( -4.342 -2.673 0.351) 5.111 3.935 ( -4.342 2.673 0.351) 5.111 4.130 ( -2.448 -1.310 2.115) 3.490 4.130 ( -2.448 1.310 2.115) 3.490 4.347 ( 3.109 -3.831 2.334) 5.458 4.347 ( 3.109 3.831 2.334) 5.458 4.534 ( 0.991 -4.204 -0.439) 4.341 4.534 ( 0.991 4.204 -0.439) 4.341 4.745 ( -1.900 -2.491 0.468) 3.168 4.745 ( -1.900 2.491 0.468) 3.168 5.156 ( -0.224 -1.062 -4.878) 4.997 5.156 ( -0.224 1.062 -4.878) 4.997 5.230 ( -1.878 -2.582 1.433) 3.500 5.230 ( -1.878 2.582 1.433) 3.500 5.507 ( 0.833 -2.667 2.601) 3.817 5.507 ( 0.833 2.667 2.601) 3.817 5.733 ( 2.182 -4.725 1.219) 5.345 5.733 ( 2.182 4.725 1.219) 5.345 5.933 ( 0.149 -1.123 -3.097) 3.298 5.933 ( 0.149 1.123 -3.097) 3.298 6.119 ( 0.278 -2.741 -1.176) 2.995 6.119 ( 0.278 2.741 -1.176) 2.995 6.283 ( 0.439 -1.543 1.257) 2.038 6.283 ( 0.439 1.543 1.257) 2.038 6.411 ( 2.689 -3.759 -2.479) 5.245 6.411 ( 2.689 3.759 -2.479) 5.245 6.579 ( -0.349 -6.090 -0.287) 6.107 6.579 ( -0.349 6.090 -0.287) 6.107 6.913 ( -1.492 -1.554 1.047) 2.396 6.913 ( -1.492 1.554 1.047) 2.396 6.989 ( 0.175 -5.459 1.011) 5.554 6.989 ( 0.175 5.459 1.011) 5.554 7.383 ( 0.166 -1.058 -2.991) 3.177 7.383 ( 0.166 1.058 -2.991) 3.177 7.558 ( -0.944 -2.529 -2.363) 3.588 7.558 ( -0.944 2.529 -2.363) 3.588 7.915 ( 1.445 -1.306 3.276) 3.811 7.915 ( 1.445 1.306 3.276) 3.811 8.339 ( -0.660 -4.901 -1.425) 5.146 8.339 ( -0.660 4.901 -1.425) 5.146 11.145 ( 0.973 -3.008 0.549) 3.209 11.145 ( 0.973 3.008 0.549) 3.209 11.407 ( -0.945 -1.905 -1.594) 2.657 11.407 ( -0.945 1.905 -1.594) 2.657 11.610 ( 0.079 -0.649 0.056) 0.656 11.610 ( 0.079 0.649 0.056) 0.656 11.834 ( -0.262 -0.589 0.466) 0.796 11.834 ( -0.262 0.589 0.466) 0.796 12.308 ( -0.563 -1.362 0.965) 1.761 12.308 ( -0.563 1.362 0.965) 1.761 12.382 ( 0.177 -2.332 -0.002) 2.338 12.382 ( 0.177 2.332 -0.002) 2.338 12.539 ( -0.173 -0.263 0.300) 0.435 12.539 ( -0.173 0.263 0.300) 0.435 12.600 ( 0.413 -0.793 0.524) 1.037 12.600 ( 0.413 0.793 0.524) 1.037 12.649 ( 0.011 -1.163 -0.267) 1.194 12.649 ( 0.011 1.163 -0.267) 1.194 12.789 ( -0.668 -1.573 0.746) 1.865 12.789 ( -0.668 1.573 0.746) 1.865 12.920 ( 0.947 -0.832 -1.209) 1.746 12.920 ( 0.947 0.832 -1.209) 1.746 12.963 ( -0.629 -0.542 -0.198) 0.853 12.963 ( -0.629 0.542 -0.198) 0.853 13.329 ( -0.049 -0.605 1.011) 1.179 13.329 ( -0.049 0.605 1.011) 1.179 13.437 ( -0.056 -1.206 -0.646) 1.369 13.437 ( -0.056 1.206 -0.646) 1.369 13.945 ( 0.262 -0.106 0.072) 0.292 13.945 ( 0.262 0.106 0.072) 0.292 14.107 ( 0.341 -1.161 -3.054) 3.285 14.107 ( 0.341 1.161 -3.054) 3.285 14.256 ( -0.062 -1.067 2.562) 2.776 14.256 ( -0.062 1.067 2.562) 2.776 14.358 ( 0.062 -0.843 -0.243) 0.880 14.358 ( 0.062 0.843 -0.243) 0.880 ======================= Grid point 65 (35/84) ======================= q-point: ( 0.11 -0.50 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( 8.652 -19.115 10.805) 23.600 1.691 ( 8.652 19.115 10.805) 23.600 1.876 ( 8.099 -17.536 17.804) 26.269 1.876 ( 8.099 17.536 17.804) 26.269 2.586 ( 1.952 -2.210 -8.997) 9.468 2.586 ( 1.952 2.210 -8.997) 9.468 2.722 ( 4.526 -7.409 2.632) 9.072 2.722 ( 4.526 7.409 2.632) 9.072 2.967 ( -1.423 -1.372 -3.033) 3.620 2.967 ( -1.423 1.372 -3.033) 3.620 2.996 ( 2.154 -1.268 3.877) 4.613 2.996 ( 2.154 1.268 3.877) 4.613 3.268 ( 1.207 -2.177 2.469) 3.506 3.268 ( 1.207 2.177 2.469) 3.506 3.368 ( -1.189 -9.071 4.016) 9.991 3.368 ( -1.189 9.071 4.016) 9.991 3.619 ( -0.142 -6.147 -6.036) 8.616 3.619 ( -0.142 6.147 -6.036) 8.616 3.797 ( -3.713 -0.811 -0.657) 3.857 3.797 ( -3.713 0.811 -0.657) 3.857 3.870 ( -3.451 -3.025 0.090) 4.590 3.870 ( -3.451 3.025 0.090) 4.590 4.109 ( -1.840 -1.377 1.625) 2.815 4.109 ( -1.840 1.377 1.625) 2.815 4.407 ( 1.578 -3.089 -1.229) 3.680 4.407 ( 1.578 3.089 -1.229) 3.680 4.541 ( -1.610 -2.784 1.660) 3.620 4.541 ( -1.610 2.784 1.660) 3.620 4.703 ( -2.779 -2.146 0.568) 3.557 4.703 ( -2.779 2.146 0.568) 3.557 5.079 ( -1.219 -3.090 -4.294) 5.429 5.079 ( -1.219 3.090 -4.294) 5.429 5.217 ( -0.799 -0.336 0.169) 0.883 5.217 ( -0.799 0.336 0.169) 0.883 5.566 ( 0.376 -1.908 3.314) 3.843 5.566 ( 0.376 1.908 3.314) 3.843 5.755 ( 0.321 -2.535 -0.925) 2.717 5.755 ( 0.321 2.535 -0.925) 2.717 5.924 ( 1.427 -2.810 -0.921) 3.283 5.924 ( 1.427 2.810 -0.921) 3.283 6.088 ( -0.342 -1.878 -2.033) 2.789 6.088 ( -0.342 1.878 -2.033) 2.789 6.285 ( 0.423 -2.008 -1.835) 2.753 6.285 ( 0.423 2.008 -1.835) 2.753 6.450 ( 2.308 -5.003 1.283) 5.657 6.450 ( 2.308 5.003 1.283) 5.657 6.572 ( 0.130 -3.629 -0.215) 3.638 6.572 ( 0.130 3.629 -0.215) 3.638 6.894 ( -2.193 -1.103 0.837) 2.594 6.894 ( -2.193 1.103 0.837) 2.594 6.999 ( 0.869 -6.225 -0.560) 6.311 6.999 ( 0.869 6.225 -0.560) 6.311 7.352 ( 0.198 -2.074 -1.785) 2.743 7.352 ( 0.198 2.074 -1.785) 2.743 7.525 ( 0.805 -2.374 -2.239) 3.361 7.525 ( 0.805 2.374 -2.239) 3.361 7.975 ( 0.243 -0.960 2.833) 3.002 7.975 ( 0.243 0.960 2.833) 3.002 8.310 ( 0.040 -2.540 -1.819) 3.125 8.310 ( 0.040 2.540 -1.819) 3.125 11.176 ( 1.594 -3.042 0.857) 3.539 11.176 ( 1.594 3.042 0.857) 3.539 11.366 ( -1.097 -1.689 -1.970) 2.817 11.366 ( -1.097 1.689 -1.970) 2.817 11.607 ( -0.471 -1.459 -0.223) 1.549 11.607 ( -0.471 1.459 -0.223) 1.549 11.834 ( -0.232 -0.238 0.290) 0.441 11.834 ( -0.232 0.238 0.290) 0.441 12.315 ( -0.328 -1.552 1.063) 1.910 12.315 ( -0.328 1.552 1.063) 1.910 12.384 ( 0.164 -1.890 -0.105) 1.900 12.384 ( 0.164 1.890 -0.105) 1.900 12.542 ( -0.386 -0.822 1.109) 1.433 12.542 ( -0.386 0.822 1.109) 1.433 12.613 ( 0.228 -0.760 0.408) 0.893 12.613 ( 0.228 0.760 0.408) 0.893 12.642 ( -0.065 -0.527 -0.728) 0.901 12.642 ( -0.065 0.527 -0.728) 0.901 12.789 ( -0.626 -1.295 0.700) 1.600 12.789 ( -0.626 1.295 0.700) 1.600 12.918 ( 1.035 -0.341 -1.551) 1.896 12.918 ( 1.035 0.341 -1.551) 1.896 12.955 ( -0.168 -0.407 0.118) 0.456 12.955 ( -0.168 0.407 0.118) 0.456 13.346 ( 0.200 -0.513 1.277) 1.391 13.346 ( 0.200 0.513 1.277) 1.391 13.426 ( 0.112 -1.172 -0.859) 1.458 13.426 ( 0.112 1.172 -0.859) 1.458 13.948 ( -0.143 -0.493 0.185) 0.545 13.948 ( -0.143 0.493 0.185) 0.545 14.075 ( 0.664 -1.001 -2.814) 3.060 14.075 ( 0.664 1.001 -2.814) 3.060 14.285 ( -0.291 -0.886 2.071) 2.272 14.285 ( -0.291 0.886 2.071) 2.272 14.354 ( -0.068 -0.566 -0.262) 0.627 14.354 ( -0.068 0.566 -0.262) 0.627 ======================= Grid point 67 (36/84) ======================= q-point: ( 0.22 -0.50 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( 8.882 -10.731 7.918) 16.023 1.975 ( 8.882 10.731 7.918) 16.023 2.246 ( 8.411 -11.640 15.829) 21.372 2.246 ( 8.411 11.640 15.829) 21.372 2.501 ( 5.334 -1.802 -9.901) 11.390 2.501 ( 5.334 1.802 -9.901) 11.390 2.667 ( 1.278 -6.755 -11.246) 13.181 2.667 ( 1.278 6.755 -11.246) 13.181 2.921 ( -0.355 -6.631 0.303) 6.648 2.921 ( -0.355 6.631 0.303) 6.648 3.174 ( 7.356 -1.621 2.677) 7.994 3.174 ( 7.356 1.621 2.677) 7.994 3.265 ( -4.899 -5.038 2.313) 7.398 3.265 ( -4.899 5.038 2.313) 7.398 3.403 ( 0.671 -4.264 -1.845) 4.695 3.403 ( 0.671 4.264 -1.845) 4.695 3.600 ( -3.517 -3.141 5.737) 7.426 3.600 ( -3.517 3.141 5.737) 7.426 3.718 ( -1.549 -2.762 -2.011) 3.752 3.718 ( -1.549 2.762 -2.011) 3.752 3.843 ( -1.226 -1.803 2.471) 3.296 3.843 ( -1.226 1.803 2.471) 3.296 4.133 ( -1.326 -4.263 4.336) 6.223 4.133 ( -1.326 4.263 4.336) 6.223 4.369 ( -3.049 -4.399 -1.801) 5.647 4.369 ( -3.049 4.399 -1.801) 5.647 4.502 ( -0.662 -2.937 -1.574) 3.397 4.502 ( -0.662 2.937 -1.574) 3.397 4.706 ( -1.092 -0.120 2.661) 2.879 4.706 ( -1.092 0.120 2.661) 2.879 5.006 ( -1.249 -3.456 -3.848) 5.321 5.006 ( -1.249 3.456 -3.848) 5.321 5.205 ( -1.247 -2.354 0.698) 2.753 5.205 ( -1.247 2.354 0.698) 2.753 5.569 ( -2.219 -3.718 -0.223) 4.335 5.569 ( -2.219 3.718 -0.223) 4.335 5.771 ( 1.255 -3.716 0.538) 3.959 5.771 ( 1.255 3.716 0.538) 3.959 5.903 ( 0.240 -2.354 -2.997) 3.819 5.903 ( 0.240 2.354 -2.997) 3.819 6.086 ( 0.814 -1.976 0.563) 2.210 6.086 ( 0.814 1.976 0.563) 2.210 6.259 ( 0.821 -2.875 -2.755) 4.065 6.259 ( 0.821 2.875 -2.755) 4.065 6.498 ( 0.327 -4.211 2.095) 4.715 6.498 ( 0.327 4.211 2.095) 4.715 6.569 ( 0.360 -1.048 -1.571) 1.923 6.569 ( 0.360 1.048 -1.571) 1.923 6.874 ( -1.881 -0.935 1.482) 2.571 6.874 ( -1.881 0.935 1.482) 2.571 7.010 ( 2.221 -7.365 -1.325) 7.806 7.010 ( 2.221 7.365 -1.325) 7.806 7.346 ( 0.199 -2.525 0.293) 2.550 7.346 ( 0.199 2.525 0.293) 2.550 7.520 ( 1.864 -1.726 -1.892) 3.167 7.520 ( 1.864 1.726 -1.892) 3.167 7.993 ( -1.242 -4.433 1.176) 4.751 7.993 ( -1.242 4.433 1.176) 4.751 8.298 ( 0.770 -0.852 -0.827) 1.415 8.298 ( 0.770 0.852 -0.827) 1.415 11.212 ( 2.048 -3.121 -0.224) 3.740 11.212 ( 2.048 3.121 -0.224) 3.740 11.328 ( -1.203 -1.844 -0.486) 2.255 11.328 ( -1.203 1.844 -0.486) 2.255 11.591 ( -0.935 -2.210 -0.339) 2.423 11.591 ( -0.935 2.210 -0.339) 2.423 11.836 ( -0.118 -0.551 0.304) 0.640 11.836 ( -0.118 0.551 0.304) 0.640 12.327 ( 0.021 -1.670 1.055) 1.976 12.327 ( 0.021 1.670 1.055) 1.976 12.385 ( 0.192 -1.047 -0.239) 1.091 12.385 ( 0.192 1.047 -0.239) 1.091 12.557 ( -0.165 -0.758 1.747) 1.912 12.557 ( -0.165 0.758 1.747) 1.912 12.614 ( -0.255 -0.810 -0.212) 0.875 12.614 ( -0.255 0.810 -0.212) 0.875 12.627 ( -0.210 -0.355 -1.108) 1.183 12.627 ( -0.210 0.355 -1.108) 1.183 12.787 ( -0.694 -1.116 0.631) 1.458 12.787 ( -0.694 1.116 0.631) 1.458 12.911 ( 0.559 -0.830 -1.281) 1.626 12.911 ( 0.559 0.830 -1.281) 1.626 12.962 ( 0.547 -0.981 0.276) 1.156 12.962 ( 0.547 0.981 0.276) 1.156 13.366 ( 0.274 -0.247 0.986) 1.053 13.366 ( 0.274 0.247 0.986) 1.053 13.420 ( 0.441 -1.228 -0.601) 1.437 13.420 ( 0.441 1.228 -0.601) 1.437 13.945 ( -0.463 -1.454 0.148) 1.533 13.945 ( -0.463 1.454 0.148) 1.533 14.054 ( 0.797 -0.609 -2.051) 2.283 14.054 ( 0.797 0.609 -2.051) 2.283 14.300 ( -0.647 -0.406 1.080) 1.323 14.300 ( -0.647 0.406 1.080) 1.323 14.351 ( 0.027 -0.294 -0.062) 0.302 14.351 ( 0.027 0.294 -0.062) 0.302 ======================= Grid point 69 (37/84) ======================= q-point: ( 0.33 -0.50 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( 5.120 -4.102 -0.797) 6.609 2.127 ( 5.120 4.102 -0.797) 6.609 2.479 ( 9.006 -6.028 -7.954) 13.443 2.479 ( 9.006 6.028 -7.954) 13.443 2.534 ( 5.192 -6.902 1.650) 8.793 2.534 ( 5.192 6.902 1.650) 8.793 2.614 ( 1.852 -5.243 3.348) 6.490 2.614 ( 1.852 5.243 3.348) 6.490 2.947 ( 3.296 -8.489 0.218) 9.109 2.947 ( 3.296 8.489 0.218) 9.109 3.194 ( -5.918 -3.904 3.059) 7.721 3.194 ( -5.918 3.904 3.059) 7.721 3.276 ( 0.022 -1.992 1.570) 2.537 3.276 ( 0.022 1.992 1.570) 2.537 3.396 ( 2.922 -3.992 -2.946) 5.758 3.396 ( 2.922 3.992 -2.946) 5.758 3.545 ( -2.008 -7.055 -0.600) 7.359 3.545 ( -2.008 7.055 -0.600) 7.359 3.709 ( -0.333 -3.385 -0.179) 3.406 3.709 ( -0.333 3.385 -0.179) 3.406 3.888 ( -1.902 -4.667 4.940) 7.057 3.888 ( -1.902 4.667 4.940) 7.057 4.100 ( -3.992 -5.241 -2.869) 7.185 4.100 ( -3.992 5.241 -2.869) 7.185 4.316 ( -5.236 -5.655 4.493) 8.921 4.316 ( -5.236 5.655 4.493) 8.921 4.538 ( 2.703 -1.659 1.976) 3.737 4.538 ( 2.703 1.659 1.976) 3.737 4.701 ( -0.841 -1.437 -0.635) 1.782 4.701 ( -0.841 1.437 -0.635) 1.782 4.940 ( -0.959 -2.608 -2.689) 3.867 4.940 ( -0.959 2.608 -2.689) 3.867 5.213 ( -0.536 -5.509 2.842) 6.222 5.213 ( -0.536 5.509 2.842) 6.222 5.537 ( -0.249 -7.322 -0.369) 7.335 5.537 ( -0.249 7.322 -0.369) 7.335 5.710 ( -4.518 -2.808 -3.963) 6.633 5.710 ( -4.518 2.808 -3.963) 6.633 5.948 ( 6.059 -5.165 0.477) 7.975 5.948 ( 6.059 5.165 0.477) 7.975 6.094 ( -0.686 -1.052 -0.314) 1.295 6.094 ( -0.686 1.052 -0.314) 1.295 6.253 ( 1.283 -2.431 -0.931) 2.902 6.253 ( 1.283 2.431 -0.931) 2.902 6.512 ( -0.558 -2.702 -0.226) 2.769 6.512 ( -0.558 2.702 -0.226) 2.769 6.529 ( -0.755 -0.651 -2.509) 2.700 6.529 ( -0.755 0.651 -2.509) 2.700 6.875 ( -1.332 -0.789 1.843) 2.407 6.875 ( -1.332 0.789 1.843) 2.407 7.034 ( 2.528 -7.571 -0.960) 8.040 7.034 ( 2.528 7.571 -0.960) 8.040 7.362 ( 0.152 -2.976 1.416) 3.299 7.362 ( 0.152 2.976 1.416) 3.299 7.532 ( 1.746 -0.995 -0.579) 2.091 7.532 ( 1.746 0.995 -0.579) 2.091 7.975 ( -1.044 -6.287 -0.769) 6.419 7.975 ( -1.044 6.287 -0.769) 6.419 8.310 ( 0.523 -2.393 0.862) 2.596 8.310 ( 0.523 2.393 0.862) 2.596 11.225 ( 1.994 -2.694 -2.666) 4.283 11.225 ( 1.994 2.694 -2.666) 4.283 11.325 ( -1.047 -2.195 2.639) 3.589 11.325 ( -1.047 2.195 2.639) 3.589 11.572 ( -0.888 -2.419 -0.045) 2.577 11.572 ( -0.888 2.419 -0.045) 2.577 11.837 ( -0.229 -0.686 0.271) 0.772 11.837 ( -0.229 0.686 0.271) 0.772 12.341 ( 0.075 -1.361 0.747) 1.555 12.341 ( 0.075 1.361 0.747) 1.555 12.384 ( 0.213 -0.465 -0.329) 0.608 12.384 ( 0.213 0.465 -0.329) 0.608 12.577 ( 0.030 -0.819 0.638) 1.038 12.577 ( 0.030 0.819 0.638) 1.038 12.602 ( -0.216 -0.401 -0.883) 0.994 12.602 ( -0.216 0.401 -0.883) 0.994 12.612 ( -0.423 -0.741 0.202) 0.877 12.612 ( -0.423 0.741 0.202) 0.877 12.784 ( -0.693 -1.090 0.618) 1.432 12.784 ( -0.693 1.090 0.618) 1.432 12.906 ( 0.452 -0.947 -0.575) 1.197 12.906 ( 0.452 0.947 -0.575) 1.197 12.974 ( 0.526 -1.161 0.222) 1.293 12.974 ( 0.526 1.161 0.222) 1.293 13.376 ( 0.101 -0.107 0.018) 0.148 13.376 ( 0.101 0.107 0.018) 0.148 13.426 ( 0.566 -1.360 0.035) 1.473 13.426 ( 0.566 1.360 0.035) 1.473 13.937 ( -0.474 -2.364 -0.238) 2.423 13.937 ( -0.474 2.364 -0.238) 2.423 14.049 ( 0.817 -0.886 -0.467) 1.292 14.049 ( 0.817 0.886 -0.467) 1.292 14.295 ( -0.735 -0.089 0.025) 0.741 14.295 ( -0.735 0.089 0.025) 0.741 14.353 ( 0.141 -0.227 0.073) 0.277 14.353 ( 0.141 0.227 0.073) 0.277 ======================= Grid point 71 (38/84) ======================= q-point: ( 0.44 -0.50 -0.83) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( 5.221 -4.735 1.231) 7.155 2.203 ( 5.221 4.735 1.231) 7.155 2.479 ( 7.104 -12.258 -8.892) 16.727 2.479 ( 7.104 12.258 -8.892) 16.727 2.583 ( -4.575 -3.765 -2.950) 6.619 2.583 ( -4.575 3.765 -2.950) 6.619 2.626 ( 2.320 -2.536 -1.748) 3.856 2.626 ( 2.320 2.536 -1.748) 3.856 3.063 ( 2.721 -5.304 4.249) 7.321 3.063 ( 2.721 5.304 4.249) 7.321 3.144 ( -0.911 -4.093 -0.539) 4.228 3.144 ( -0.911 4.093 -0.539) 4.228 3.253 ( -3.848 -0.989 1.899) 4.404 3.253 ( -3.848 0.989 1.899) 4.404 3.399 ( -2.203 -6.190 5.852) 8.799 3.399 ( -2.203 6.190 5.852) 8.799 3.599 ( 6.331 -2.619 -0.428) 6.865 3.599 ( 6.331 2.619 -0.428) 6.865 3.702 ( -0.151 -2.247 -0.200) 2.260 3.702 ( -0.151 2.247 -0.200) 2.260 3.879 ( -4.530 -1.934 2.116) 5.361 3.879 ( -4.530 1.934 2.116) 5.361 4.021 ( -0.151 -4.062 -2.308) 4.674 4.021 ( -0.151 4.062 -2.308) 4.674 4.282 ( -5.459 -4.419 3.158) 7.701 4.282 ( -5.459 4.419 3.158) 7.701 4.554 ( -0.609 -5.535 -1.525) 5.774 4.554 ( -0.609 5.535 -1.525) 5.774 4.686 ( 0.299 -5.119 -1.734) 5.413 4.686 ( 0.299 5.119 -1.734) 5.413 4.926 ( 0.613 -3.345 0.894) 3.517 4.926 ( 0.613 3.345 0.894) 3.517 5.234 ( -1.861 -3.023 1.620) 3.902 5.234 ( -1.861 3.023 1.620) 3.902 5.545 ( -0.665 -8.819 -0.911) 8.891 5.545 ( -0.665 8.819 -0.911) 8.891 5.622 ( 1.676 -0.767 -0.517) 1.914 5.622 ( 1.676 0.767 -0.517) 1.914 6.030 ( 2.070 -4.101 -3.134) 5.561 6.030 ( 2.070 4.101 -3.134) 5.561 6.063 ( 0.208 -1.122 0.281) 1.175 6.063 ( 0.208 1.122 0.281) 1.175 6.264 ( 0.550 -2.858 0.410) 2.940 6.264 ( 0.550 2.858 0.410) 2.940 6.458 ( 0.301 -2.284 -4.260) 4.843 6.458 ( 0.301 2.284 -4.260) 4.843 6.539 ( 0.667 -4.103 1.872) 4.559 6.539 ( 0.667 4.103 1.872) 4.559 6.864 ( -1.698 -1.284 0.119) 2.132 6.864 ( -1.698 1.284 0.119) 2.132 7.056 ( 1.463 -7.482 -0.856) 7.672 7.056 ( 1.463 7.482 -0.856) 7.672 7.384 ( -0.503 -3.717 2.281) 4.390 7.384 ( -0.503 3.717 2.281) 4.390 7.559 ( 1.033 -0.626 0.974) 1.552 7.559 ( 1.033 0.626 0.974) 1.552 7.945 ( -0.077 -6.256 -2.248) 6.648 7.945 ( -0.077 6.256 -2.248) 6.648 8.333 ( -0.193 -2.112 2.117) 2.997 8.333 ( -0.193 2.112 2.117) 2.997 11.214 ( 1.656 -2.188 -3.102) 4.142 11.214 ( 1.656 2.188 -3.102) 4.142 11.351 ( -1.224 -2.806 3.675) 4.783 11.351 ( -1.224 2.806 3.675) 4.783 11.566 ( -0.259 -2.609 0.506) 2.670 11.566 ( -0.259 2.609 0.506) 2.670 11.836 ( -0.262 -0.798 0.159) 0.855 11.836 ( -0.262 0.798 0.159) 0.855 12.345 ( -0.374 -1.198 0.171) 1.267 12.345 ( -0.374 1.198 0.171) 1.267 12.383 ( 0.252 -0.670 -0.352) 0.797 12.383 ( 0.252 0.670 -0.352) 0.797 12.556 ( -0.533 -0.295 -2.096) 2.183 12.556 ( -0.533 0.295 -2.096) 2.183 12.602 ( 0.339 -0.817 0.242) 0.917 12.602 ( 0.339 0.817 0.242) 0.917 12.623 ( -0.044 -0.208 1.464) 1.479 12.623 ( -0.044 0.208 1.464) 1.479 12.783 ( -0.547 -1.126 0.722) 1.445 12.783 ( -0.547 1.126 0.722) 1.445 12.910 ( 0.493 -1.008 0.005) 1.122 12.910 ( 0.493 1.008 0.005) 1.122 12.983 ( 0.085 -1.311 0.328) 1.354 12.983 ( 0.085 1.311 0.328) 1.354 13.372 ( 0.009 -0.111 -0.718) 0.726 13.372 ( 0.009 0.111 -0.718) 0.726 13.434 ( 0.180 -1.293 0.258) 1.331 13.434 ( 0.180 1.293 0.258) 1.331 13.926 ( -0.075 -2.320 -0.565) 2.389 13.926 ( -0.075 2.320 -0.565) 2.389 14.067 ( 0.688 -0.876 1.267) 1.687 14.067 ( 0.688 0.876 1.267) 1.687 14.281 ( -0.349 -0.219 -0.683) 0.798 14.281 ( -0.349 0.219 -0.683) 0.798 14.354 ( -0.024 -0.163 -0.181) 0.245 14.354 ( -0.024 0.163 -0.181) 0.245 ======================= Grid point 73 (39/84) ======================= q-point: (-0.44 -0.50 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.272 ( -7.346 -5.964 3.113) 9.961 2.272 ( -7.346 5.964 3.113) 9.961 2.337 ( -8.318 -13.193 -9.148) 18.081 2.337 ( -8.318 13.193 -9.148) 18.081 2.494 ( 5.904 -5.802 -5.703) 10.052 2.494 ( 5.904 5.802 -5.703) 10.052 2.664 ( 5.192 -6.471 -2.329) 8.617 2.664 ( 5.192 6.471 -2.329) 8.617 3.032 ( -0.938 -6.352 -1.996) 6.724 3.032 ( -0.938 6.352 -1.996) 6.724 3.161 ( 2.426 -2.131 0.298) 3.243 3.161 ( 2.426 2.131 0.298) 3.243 3.308 ( -3.144 -5.492 7.956) 10.166 3.308 ( -3.144 5.492 7.956) 10.166 3.475 ( -0.890 -7.048 5.135) 8.766 3.475 ( -0.890 7.048 5.135) 8.766 3.617 ( -5.827 -4.219 2.268) 7.543 3.617 ( -5.827 4.219 2.268) 7.543 3.711 ( 1.017 -0.993 0.768) 1.616 3.711 ( 1.017 0.993 0.768) 1.616 3.845 ( -1.459 -4.343 1.167) 4.728 3.845 ( -1.459 4.343 1.167) 4.728 4.000 ( 1.755 -2.965 -3.642) 5.013 4.000 ( 1.755 2.965 -3.642) 5.013 4.292 ( 2.829 -2.671 3.726) 5.387 4.292 ( 2.829 2.671 3.726) 5.387 4.504 ( -1.641 -1.558 -2.448) 3.333 4.504 ( -1.641 1.558 -2.448) 3.333 4.647 ( -0.993 -5.197 -3.429) 6.305 4.647 ( -0.993 5.197 -3.429) 6.305 4.964 ( 1.966 -3.302 1.263) 4.045 4.964 ( 1.966 3.302 1.263) 4.045 5.205 ( -1.266 -1.421 -0.532) 1.976 5.205 ( -1.266 1.421 -0.532) 1.976 5.523 ( 0.410 -6.466 -0.192) 6.482 5.523 ( 0.410 6.466 -0.192) 6.482 5.697 ( 3.955 -2.650 -0.016) 4.760 5.697 ( 3.955 2.650 -0.016) 4.760 5.969 ( -1.718 -0.886 -0.889) 2.128 5.969 ( -1.718 0.886 -0.889) 2.128 6.090 ( 1.415 -4.031 -1.151) 4.424 6.090 ( 1.415 4.031 -1.151) 4.424 6.279 ( 0.454 -3.236 0.052) 3.268 6.279 ( 0.454 3.236 0.052) 3.268 6.424 ( 2.295 -4.307 -3.713) 6.132 6.424 ( 2.295 4.307 -3.713) 6.132 6.578 ( 0.477 -3.743 1.720) 4.147 6.578 ( 0.477 3.743 1.720) 4.147 6.838 ( -0.899 -2.065 -0.090) 2.254 6.838 ( -0.899 2.065 -0.090) 2.254 7.051 ( -0.251 -7.840 -1.361) 7.962 7.051 ( -0.251 7.840 -1.361) 7.962 7.408 ( -1.244 -3.806 3.475) 5.302 7.408 ( -1.244 3.806 3.475) 5.302 7.584 ( 0.053 -0.775 1.276) 1.494 7.584 ( 0.053 0.775 1.276) 1.494 7.916 ( 0.944 -4.884 -2.920) 5.768 7.916 ( 0.944 4.884 -2.920) 5.768 8.356 ( -0.882 -0.817 2.495) 2.769 8.356 ( -0.882 0.817 2.495) 2.769 11.196 ( 1.031 -2.183 -2.857) 3.741 11.196 ( 1.031 2.183 -2.857) 3.741 11.381 ( -1.351 -3.136 3.860) 5.154 11.381 ( -1.351 3.136 3.860) 5.154 11.576 ( 0.399 -3.124 0.757) 3.239 11.576 ( 0.399 3.124 0.757) 3.239 11.834 ( -0.196 -0.803 0.044) 0.828 11.834 ( -0.196 0.803 0.044) 0.828 12.334 ( -0.853 -1.774 -0.210) 1.980 12.334 ( -0.853 1.774 -0.210) 1.980 12.383 ( 0.251 -1.167 -0.346) 1.243 12.383 ( 0.251 1.167 -0.346) 1.243 12.521 ( -0.190 -0.196 -1.909) 1.928 12.521 ( -0.190 0.196 -1.909) 1.928 12.612 ( 0.198 -1.421 0.405) 1.491 12.612 ( 0.198 1.421 0.405) 1.491 12.639 ( 0.172 -0.484 0.821) 0.968 12.639 ( 0.172 0.484 0.821) 0.968 12.786 ( -0.413 -1.306 0.842) 1.608 12.786 ( -0.413 1.306 0.842) 1.608 12.921 ( 0.616 -0.953 0.237) 1.159 12.921 ( 0.616 0.953 0.237) 1.159 12.985 ( -0.570 -1.275 0.591) 1.516 12.985 ( -0.570 1.275 0.591) 1.516 13.357 ( -0.195 -0.183 -1.165) 1.196 13.357 ( -0.195 0.183 -1.165) 1.196 13.438 ( -0.124 -1.133 0.380) 1.201 13.438 ( -0.124 1.133 0.380) 1.201 13.921 ( 0.459 -1.637 -0.591) 1.799 13.921 ( 0.459 1.637 -0.591) 1.799 14.101 ( 0.345 -0.679 2.395) 2.514 14.101 ( 0.345 0.679 2.395) 2.514 14.265 ( 0.025 -0.082 -1.455) 1.457 14.265 ( 0.025 0.082 -1.455) 1.457 14.349 ( -0.038 -0.198 -0.290) 0.353 14.349 ( -0.038 0.198 -0.290) 0.353 ======================= Grid point 75 (40/84) ======================= q-point: (-0.33 -0.50 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( -15.341 -9.127 -9.096) 20.035 2.007 ( -15.341 9.127 -9.096) 20.035 2.043 ( -15.096 -3.421 -4.903) 16.237 2.043 ( -15.096 3.421 -4.903) 16.237 2.622 ( 5.499 -5.180 0.357) 7.563 2.622 ( 5.499 5.180 0.357) 7.563 2.698 ( 5.377 -6.046 0.913) 8.143 2.698 ( 5.377 6.046 0.913) 8.143 3.070 ( 3.742 -6.924 -2.792) 8.351 3.070 ( 3.742 6.924 -2.792) 8.351 3.145 ( -7.906 -5.678 -4.282) 10.634 3.145 ( -7.906 5.678 -4.282) 10.634 3.283 ( -5.220 -5.144 2.481) 7.737 3.283 ( -5.220 5.144 2.481) 7.737 3.372 ( -6.955 -1.742 4.106) 8.262 3.372 ( -6.955 1.742 4.106) 8.262 3.680 ( -0.069 -2.139 5.418) 5.826 3.680 ( -0.069 2.139 5.418) 5.826 3.732 ( 0.729 -2.897 4.011) 5.001 3.732 ( 0.729 2.897 4.011) 5.001 3.867 ( 0.742 -2.539 2.331) 3.526 3.867 ( 0.742 2.539 2.331) 3.526 3.998 ( 3.267 -2.304 -2.233) 4.579 3.998 ( 3.267 2.304 -2.233) 4.579 4.410 ( 2.627 -0.891 0.150) 2.779 4.410 ( 2.627 0.891 0.150) 2.779 4.470 ( 1.665 -0.465 -0.088) 1.731 4.470 ( 1.665 0.465 -0.088) 1.731 4.587 ( 1.049 -3.100 -2.514) 4.127 4.587 ( 1.049 3.100 -2.514) 4.127 5.019 ( 2.324 -2.461 1.784) 3.826 5.019 ( 2.324 2.461 1.784) 3.826 5.203 ( 2.135 -0.916 -0.772) 2.449 5.203 ( 2.135 0.916 -0.772) 2.449 5.526 ( -0.302 -2.737 -0.936) 2.908 5.526 ( -0.302 2.737 -0.936) 2.908 5.719 ( 2.085 -1.321 -1.820) 3.066 5.719 ( 2.085 1.321 -1.820) 3.066 5.969 ( -0.636 -2.345 0.910) 2.594 5.969 ( -0.636 2.345 0.910) 2.594 6.089 ( 1.191 -3.063 -0.838) 3.391 6.089 ( 1.191 3.063 -0.838) 3.391 6.273 ( 0.274 -2.415 -1.415) 2.813 6.273 ( 0.274 2.415 -1.415) 2.813 6.435 ( 3.632 -6.785 -2.048) 7.964 6.435 ( 3.632 6.785 -2.048) 7.964 6.585 ( -1.267 -2.929 0.490) 3.228 6.585 ( -1.267 2.929 0.490) 3.228 6.845 ( 0.670 -2.332 1.237) 2.724 6.845 ( 0.670 2.332 1.237) 2.724 7.015 ( -1.451 -7.751 -1.782) 8.084 7.015 ( -1.451 7.751 -1.782) 8.084 7.432 ( -1.622 -2.822 3.300) 4.636 7.432 ( -1.622 2.822 3.300) 4.636 7.595 ( -0.706 -1.362 1.328) 2.029 7.595 ( -0.706 1.362 1.328) 2.029 7.898 ( 1.635 -1.962 -2.911) 3.873 7.898 ( 1.635 1.962 -2.911) 3.873 8.370 ( -1.336 -1.491 2.121) 2.917 8.370 ( -1.336 1.491 2.121) 2.917 11.171 ( 0.255 -2.423 -2.322) 3.366 11.171 ( 0.255 2.423 -2.322) 3.366 11.411 ( -0.996 -2.927 3.372) 4.575 11.411 ( -0.996 2.927 3.372) 4.575 11.593 ( 0.590 -2.942 0.434) 3.031 11.593 ( 0.590 2.942 0.434) 3.031 11.830 ( -0.212 -0.633 -0.030) 0.668 11.830 ( -0.212 0.633 -0.030) 0.668 12.317 ( -0.887 -1.986 -0.022) 2.175 12.317 ( -0.887 1.986 -0.022) 2.175 12.381 ( 0.152 -1.820 -0.372) 1.864 12.381 ( 0.152 1.820 -0.372) 1.864 12.505 ( 0.558 -0.682 -0.995) 1.329 12.505 ( 0.558 0.682 -0.995) 1.329 12.614 ( -0.233 -1.195 0.002) 1.218 12.614 ( -0.233 1.195 0.002) 1.218 12.649 ( 0.160 -0.126 0.242) 0.316 12.649 ( 0.160 0.126 0.242) 0.316 12.791 ( -0.460 -1.650 0.864) 1.919 12.791 ( -0.460 1.650 0.864) 1.919 12.932 ( 0.610 -0.385 -0.317) 0.788 12.932 ( 0.610 0.385 -0.317) 0.788 12.983 ( -1.049 -0.555 1.067) 1.596 12.983 ( -1.049 0.555 1.067) 1.596 13.337 ( -0.348 -0.453 -1.045) 1.191 13.337 ( -0.348 0.453 -1.045) 1.191 13.442 ( -0.137 -1.043 0.440) 1.140 13.442 ( -0.137 1.043 0.440) 1.140 13.925 ( 0.802 -0.925 -0.499) 1.322 13.925 ( 0.802 0.925 -0.499) 1.322 14.138 ( -0.191 -0.987 2.686) 2.868 14.138 ( -0.191 0.987 2.686) 2.868 14.241 ( 0.111 -0.485 -2.253) 2.307 14.241 ( 0.111 0.485 -2.253) 2.307 14.348 ( 0.292 -0.357 -0.085) 0.469 14.348 ( 0.292 0.357 -0.085) 0.469 ======================= Grid point 77 (41/84) ======================= q-point: (-0.22 -0.50 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( -14.340 -14.088 -6.433) 21.106 1.647 ( -14.340 14.088 -6.433) 21.106 1.742 ( -15.232 -13.636 -3.087) 20.675 1.742 ( -15.232 13.636 -3.087) 20.675 2.634 ( -3.241 -3.424 -0.049) 4.715 2.634 ( -3.241 3.424 -0.049) 4.715 2.729 ( -14.135 -23.274 -2.898) 27.384 2.729 ( -14.135 23.274 -2.898) 27.384 2.895 ( 5.199 -2.681 1.784) 6.116 2.895 ( 5.199 2.681 1.784) 6.116 3.122 ( 1.887 -1.908 -1.470) 3.060 3.122 ( 1.887 1.908 -1.470) 3.060 3.276 ( -3.918 -2.552 0.230) 4.682 3.276 ( -3.918 2.552 0.230) 4.682 3.367 ( 0.389 -3.288 1.735) 3.738 3.367 ( 0.389 3.288 1.735) 3.738 3.698 ( 0.524 -2.776 0.118) 2.827 3.698 ( 0.524 2.776 0.118) 2.827 3.838 ( 0.091 -4.727 6.334) 7.904 3.838 ( 0.091 4.727 6.334) 7.904 3.924 ( 2.618 -1.100 2.119) 3.544 3.924 ( 2.618 1.100 2.119) 3.544 4.036 ( 2.464 -2.010 0.444) 3.211 4.036 ( 2.464 2.010 0.444) 3.211 4.366 ( -1.574 -2.890 -2.968) 4.432 4.366 ( -1.574 2.890 -2.968) 4.432 4.488 ( 1.429 -2.415 -1.728) 3.295 4.488 ( 1.429 2.415 -1.728) 3.295 4.664 ( 5.206 -2.843 1.949) 6.244 4.664 ( 5.206 2.843 1.949) 6.244 5.094 ( 2.591 -0.380 3.983) 4.767 5.094 ( 2.591 0.380 3.983) 4.767 5.232 ( 2.000 -1.188 -1.106) 2.576 5.232 ( 2.000 1.188 -1.106) 2.576 5.493 ( -0.579 -1.943 -1.624) 2.597 5.493 ( -0.579 1.943 -1.624) 2.597 5.729 ( 0.895 -3.313 -1.559) 3.769 5.729 ( 0.895 3.313 -1.559) 3.769 5.957 ( -0.165 -1.877 0.102) 1.887 5.957 ( -0.165 1.877 0.102) 1.887 6.104 ( 1.566 -1.350 -1.160) 2.370 6.104 ( 1.566 1.350 -1.160) 2.370 6.259 ( 0.255 -1.760 -1.237) 2.166 6.259 ( 0.255 1.760 -1.237) 2.166 6.460 ( 2.015 -4.668 -2.366) 5.608 6.460 ( 2.015 4.668 -2.366) 5.608 6.572 ( -0.658 -3.429 0.706) 3.562 6.572 ( -0.658 3.429 0.706) 3.562 6.880 ( 0.778 -2.522 1.884) 3.243 6.880 ( 0.778 2.522 1.884) 3.243 6.973 ( -0.810 -7.229 -1.099) 7.357 6.973 ( -0.810 7.229 -1.099) 7.357 7.438 ( -1.441 -1.837 1.135) 2.596 7.438 ( -1.441 1.837 1.135) 2.596 7.601 ( -0.793 -1.847 1.389) 2.443 7.601 ( -0.793 1.847 1.389) 2.443 7.885 ( 0.873 -1.593 -2.353) 2.972 7.885 ( 0.873 1.593 -2.353) 2.972 8.371 ( -1.275 -3.921 1.242) 4.306 8.371 ( -1.275 3.921 1.242) 4.306 11.146 ( -0.068 -2.722 -1.490) 3.103 11.146 ( -0.068 2.722 -1.490) 3.103 11.434 ( -0.774 -2.668 1.897) 3.364 11.434 ( -0.774 2.668 1.897) 3.364 11.604 ( 0.394 -2.009 -0.051) 2.048 11.604 ( 0.394 2.009 -0.051) 2.048 11.828 ( -0.148 -0.770 0.142) 0.797 11.828 ( -0.148 0.770 0.142) 0.797 12.307 ( -0.700 -1.750 0.468) 1.943 12.307 ( -0.700 1.750 0.468) 1.943 12.379 ( 0.154 -2.229 -0.269) 2.251 12.379 ( 0.154 2.229 -0.269) 2.251 12.511 ( 1.044 -1.108 -0.092) 1.525 12.511 ( 1.044 1.108 -0.092) 1.525 12.607 ( -0.414 -0.421 -0.266) 0.647 12.607 ( -0.414 0.421 -0.266) 0.647 12.651 ( -0.018 -0.813 -0.096) 0.819 12.651 ( -0.018 0.813 -0.096) 0.819 12.793 ( -0.668 -1.869 0.772) 2.130 12.793 ( -0.668 1.869 0.772) 2.130 12.930 ( 0.387 -0.881 -0.966) 1.363 12.930 ( 0.387 0.881 -0.966) 1.363 12.981 ( -0.980 -0.494 0.997) 1.483 12.981 ( -0.980 0.494 0.997) 1.483 13.323 ( -0.275 -0.591 -0.298) 0.717 13.323 ( -0.275 0.591 -0.298) 0.717 13.445 ( -0.088 -1.092 0.231) 1.120 13.445 ( -0.088 1.092 0.231) 1.120 13.932 ( 0.791 -0.479 -0.376) 0.998 13.932 ( 0.791 0.479 -0.376) 0.998 14.161 ( -0.486 -1.031 1.099) 1.583 14.161 ( -0.486 1.031 1.099) 1.583 14.215 ( 0.146 -0.862 -1.286) 1.555 14.215 ( 0.146 0.862 -1.286) 1.555 14.354 ( 0.398 -0.653 -0.014) 0.765 14.354 ( 0.398 0.653 -0.014) 0.765 ======================= Grid point 79 (42/84) ======================= q-point: (-0.11 -0.50 0.17) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( -8.053 -19.451 3.360) 21.318 1.438 ( -8.053 19.451 3.360) 21.318 1.517 ( -7.404 -22.486 -0.417) 23.678 1.517 ( -7.404 22.486 -0.417) 23.678 2.445 ( -15.043 -33.798 9.656) 38.234 2.445 ( -15.043 33.798 9.656) 38.234 2.684 ( 1.217 -5.340 -0.554) 5.505 2.684 ( 1.217 5.340 -0.554) 5.505 2.988 ( 3.244 -1.170 0.338) 3.465 2.988 ( 3.244 1.170 0.338) 3.465 3.109 ( -0.859 -2.467 -4.060) 4.827 3.109 ( -0.859 2.467 -4.060) 4.827 3.230 ( -0.207 -0.706 1.313) 1.505 3.230 ( -0.207 0.706 1.313) 1.505 3.360 ( -0.675 -4.847 -2.437) 5.466 3.360 ( -0.675 4.847 -2.437) 5.466 3.707 ( 2.644 -3.448 -2.998) 5.279 3.707 ( 2.644 3.448 -2.998) 5.279 3.877 ( -1.210 -1.932 1.219) 2.585 3.877 ( -1.210 1.932 1.219) 2.585 3.970 ( 0.297 -2.033 -0.055) 2.056 3.970 ( 0.297 2.033 -0.055) 2.056 4.095 ( -0.199 -1.542 5.534) 5.748 4.095 ( -0.199 1.542 5.534) 5.748 4.317 ( -0.788 -5.646 -0.987) 5.786 4.317 ( -0.788 5.646 -0.987) 5.786 4.507 ( 3.434 -3.190 -1.267) 4.855 4.507 ( 3.434 3.190 -1.267) 4.855 4.739 ( 1.576 -2.377 0.935) 3.002 4.739 ( 1.576 2.377 0.935) 3.002 5.189 ( 1.449 -3.497 2.681) 4.639 5.189 ( 1.449 3.497 2.681) 4.639 5.222 ( -0.043 -0.398 -1.399) 1.455 5.222 ( -0.043 0.398 -1.399) 1.455 5.483 ( 0.029 -1.965 0.501) 2.028 5.483 ( 0.029 1.965 0.501) 2.028 5.707 ( 0.298 -4.949 -1.383) 5.147 5.707 ( 0.298 4.949 -1.383) 5.147 5.967 ( 0.845 -2.460 -1.455) 2.981 5.967 ( 0.845 2.460 -1.455) 2.981 6.109 ( 1.299 -2.979 -0.622) 3.309 6.109 ( 1.299 2.979 -0.622) 3.309 6.257 ( 0.246 -1.936 0.777) 2.100 6.257 ( 0.246 1.936 0.777) 2.100 6.433 ( 0.927 -2.063 -4.104) 4.686 6.433 ( 0.927 2.063 -4.104) 4.686 6.581 ( 0.151 -6.478 0.412) 6.493 6.581 ( 0.151 6.478 0.412) 6.493 6.910 ( -0.165 -2.534 1.463) 2.931 6.910 ( -0.165 2.534 1.463) 2.931 6.969 ( 0.208 -6.058 1.006) 6.144 6.969 ( 0.208 6.058 1.006) 6.144 7.418 ( -0.528 -0.917 -1.584) 1.905 7.418 ( -0.528 0.917 -1.584) 1.905 7.598 ( -0.842 -2.068 -0.539) 2.297 7.598 ( -0.842 2.068 -0.539) 2.297 7.873 ( 0.193 -2.371 0.345) 2.404 7.873 ( 0.193 2.371 0.345) 2.404 8.362 ( -0.893 -5.349 -0.085) 5.424 8.362 ( -0.893 5.349 -0.085) 5.424 11.134 ( 0.262 -2.920 -0.428) 2.963 11.134 ( 0.262 2.920 -0.428) 2.963 11.433 ( -0.808 -2.295 -0.069) 2.434 11.433 ( -0.808 2.295 -0.069) 2.434 11.607 ( 0.227 -0.929 -0.062) 0.958 11.607 ( 0.227 0.929 -0.062) 0.958 11.830 ( -0.117 -1.054 0.482) 1.165 11.830 ( -0.117 1.054 0.482) 1.165 12.306 ( -0.609 -1.445 0.815) 1.768 12.306 ( -0.609 1.445 0.815) 1.768 12.380 ( 0.186 -2.389 -0.072) 2.397 12.380 ( 0.186 2.389 -0.072) 2.397 12.530 ( 0.866 -0.854 0.286) 1.250 12.530 ( 0.866 0.854 0.286) 1.250 12.596 ( -0.340 -0.576 -0.175) 0.691 12.596 ( -0.340 0.576 -0.175) 0.691 12.650 ( 0.063 -1.361 -0.066) 1.364 12.650 ( 0.063 1.361 -0.066) 1.364 12.791 ( -0.764 -1.818 0.734) 2.104 12.791 ( -0.764 1.818 0.734) 2.104 12.923 ( 0.526 -1.055 -1.081) 1.600 12.923 ( 0.526 1.055 -1.081) 1.600 12.975 ( -0.797 -0.681 0.234) 1.074 12.975 ( -0.797 0.681 0.234) 1.074 13.320 ( -0.179 -0.634 0.487) 0.819 13.320 ( -0.179 0.634 0.487) 0.819 13.444 ( -0.090 -1.185 -0.201) 1.205 13.444 ( -0.090 1.185 -0.201) 1.205 13.939 ( 0.541 -0.230 -0.174) 0.613 13.939 ( 0.541 0.230 -0.174) 0.613 14.143 ( -0.031 -1.187 -2.522) 2.788 14.143 ( -0.031 1.187 -2.522) 2.788 14.224 ( -0.060 -1.103 2.102) 2.375 14.224 ( -0.060 1.103 2.102) 2.375 14.358 ( 0.214 -0.882 -0.139) 0.918 14.358 ( 0.214 0.882 -0.139) 0.918 ======================= Grid point 90 (43/84) ======================= q-point: ( 0.00 0.00 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( -1.134 0.000 30.070) 30.091 1.428 ( 2.327 0.000 31.267) 31.353 2.089 ( 2.281 0.000 36.108) 36.180 2.277 ( -1.855 0.000 1.554) 2.420 2.508 ( -2.970 0.000 -0.216) 2.978 2.510 ( 0.272 0.000 -15.124) 15.126 2.591 ( -0.680 0.000 -4.220) 4.275 2.638 ( -0.023 0.000 -9.445) 9.445 2.733 ( 2.706 0.000 2.014) 3.374 2.931 ( 2.456 0.000 0.547) 2.516 2.945 ( -0.446 0.000 -4.931) 4.951 3.017 ( 1.371 0.000 -3.254) 3.531 3.350 ( -3.233 0.000 3.495) 4.760 3.392 ( 4.072 0.000 6.970) 8.072 3.506 ( -7.028 0.000 6.549) 9.607 3.541 ( 1.805 0.000 -5.083) 5.394 3.553 ( -2.959 0.000 -5.495) 6.241 3.801 ( -0.787 0.000 -8.646) 8.681 3.858 ( -1.781 0.000 -3.353) 3.796 3.898 ( 7.655 0.000 -7.179) 10.495 3.907 ( 4.573 0.000 -2.738) 5.330 3.925 ( -5.431 0.000 -2.755) 6.090 4.077 ( -0.120 0.000 8.594) 8.595 4.087 ( -5.552 0.000 3.545) 6.587 4.359 ( 2.446 0.000 1.862) 3.074 4.478 ( -3.028 0.000 3.156) 4.373 4.500 ( 2.480 0.000 -2.948) 3.852 4.598 ( 0.373 0.000 -4.558) 4.573 4.683 ( -0.907 0.000 6.977) 7.035 4.834 ( 0.888 0.000 3.125) 3.249 4.969 ( 6.277 0.000 -6.732) 9.204 5.066 ( -3.220 0.000 -6.383) 7.149 5.125 ( -2.059 0.000 1.361) 2.468 5.219 ( -2.369 0.000 -1.228) 2.669 5.566 ( 0.013 0.000 0.817) 0.817 5.622 ( 2.103 0.000 0.780) 2.243 5.684 ( 6.405 0.000 6.806) 9.346 5.778 ( -6.675 0.000 -0.508) 6.694 5.855 ( -0.179 0.000 2.931) 2.937 5.945 ( 2.838 0.000 1.565) 3.240 5.985 ( -3.463 0.000 0.537) 3.504 5.996 ( 0.915 0.000 -0.286) 0.958 6.241 ( -0.524 0.000 -3.719) 3.756 6.274 ( 1.936 0.000 -3.051) 3.614 6.360 ( 2.731 0.000 2.849) 3.946 6.480 ( -1.320 0.000 1.486) 1.988 6.621 ( -0.971 0.000 -0.261) 1.006 6.643 ( 1.240 0.000 -0.933) 1.552 6.785 ( -1.551 0.000 -1.876) 2.435 6.838 ( 3.564 0.000 -4.875) 6.039 7.088 ( -2.698 0.000 2.281) 3.533 7.117 ( -0.868 0.000 -1.280) 1.546 7.352 ( -1.236 0.000 -2.551) 2.835 7.355 ( 1.673 0.000 -4.285) 4.600 7.449 ( 0.769 0.000 1.343) 1.548 7.555 ( -0.403 0.000 -2.452) 2.485 7.937 ( -2.626 0.000 2.080) 3.350 7.945 ( 2.969 0.000 3.056) 4.261 8.271 ( 1.545 0.000 1.883) 2.436 8.390 ( -1.121 0.000 -4.234) 4.380 11.128 ( -0.593 0.000 3.078) 3.135 11.238 ( 1.339 0.000 -0.347) 1.383 11.345 ( 1.093 0.000 -1.845) 2.144 11.354 ( -0.375 0.000 -3.606) 3.625 11.602 ( -2.188 0.000 0.558) 2.258 11.621 ( 0.724 0.000 -0.365) 0.811 11.842 ( 0.414 0.000 -0.149) 0.440 11.845 ( -0.575 0.000 -0.203) 0.610 12.301 ( -1.856 0.000 1.493) 2.381 12.316 ( 0.709 0.000 0.496) 0.865 12.362 ( -0.032 0.000 0.508) 0.509 12.415 ( 0.396 0.000 -1.351) 1.408 12.550 ( -0.674 0.000 1.812) 1.933 12.567 ( 0.015 0.000 2.001) 2.001 12.595 ( -0.204 0.000 0.396) 0.445 12.630 ( 0.383 0.000 0.189) 0.427 12.661 ( 0.628 0.000 -0.731) 0.963 12.668 ( -0.162 0.000 -1.065) 1.077 12.779 ( -0.633 0.000 1.356) 1.496 12.841 ( 1.180 0.000 -1.366) 1.805 12.858 ( -1.208 0.000 0.025) 1.208 12.875 ( 0.898 0.000 -1.131) 1.444 12.963 ( -0.349 0.000 0.020) 0.349 12.970 ( -0.293 0.000 -0.451) 0.538 13.347 ( -0.214 0.000 1.658) 1.672 13.365 ( 0.161 0.000 0.631) 0.651 13.393 ( -0.634 0.000 -0.148) 0.651 13.437 ( 0.527 0.000 -1.669) 1.750 13.938 ( 1.275 0.000 -0.036) 1.275 13.948 ( -1.233 0.000 0.267) 1.262 14.031 ( 0.518 0.000 -1.412) 1.504 14.076 ( 0.188 0.000 -2.805) 2.812 14.282 ( 0.026 0.000 2.203) 2.203 14.324 ( 0.186 0.000 0.669) 0.694 14.340 ( 0.157 0.000 0.517) 0.540 14.365 ( 0.192 0.000 -0.718) 0.743 ======================= Grid point 91 (44/84) ======================= q-point: ( 0.11 0.00 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( 4.721 0.000 25.619) 26.050 1.874 ( 4.365 0.000 27.921) 28.260 2.155 ( 1.297 0.000 -15.756) 15.810 2.222 ( -1.101 0.000 -23.698) 23.724 2.470 ( 4.863 0.000 1.712) 5.155 2.517 ( 0.107 0.000 -8.555) 8.555 2.614 ( 2.253 0.000 9.335) 9.603 2.710 ( 9.554 0.000 17.662) 20.080 2.842 ( 10.011 0.000 -4.817) 11.109 2.868 ( -6.358 0.000 0.913) 6.423 2.941 ( -2.007 0.000 -0.600) 2.095 2.985 ( 6.826 0.000 -9.216) 11.469 3.367 ( -3.928 0.000 8.921) 9.748 3.377 ( -3.099 0.000 -1.283) 3.354 3.470 ( -2.066 0.000 4.198) 4.679 3.536 ( -1.682 0.000 2.249) 2.809 3.594 ( 2.328 0.000 3.812) 4.467 3.662 ( 0.857 0.000 -8.912) 8.953 3.735 ( -2.163 0.000 -8.411) 8.684 3.786 ( -7.617 0.000 -1.979) 7.870 3.940 ( 2.111 0.000 0.038) 2.112 3.970 ( 8.479 0.000 -3.474) 9.163 4.065 ( -4.411 0.000 4.735) 6.471 4.193 ( 0.791 0.000 4.242) 4.315 4.354 ( -2.915 0.000 1.968) 3.517 4.429 ( -1.061 0.000 -2.590) 2.799 4.504 ( -6.207 0.000 -4.247) 7.521 4.573 ( 3.474 0.000 2.696) 4.397 4.734 ( -3.420 0.000 4.227) 5.438 4.896 ( 1.118 0.000 0.295) 1.157 4.920 ( -2.613 0.000 -4.396) 5.114 4.965 ( 5.195 0.000 -4.263) 6.720 5.149 ( -3.588 0.000 -1.460) 3.874 5.164 ( 0.378 0.000 3.334) 3.355 5.595 ( 0.538 0.000 1.618) 1.705 5.620 ( 0.264 0.000 -2.560) 2.574 5.646 ( -7.744 0.000 -0.541) 7.763 5.844 ( 1.546 0.000 3.785) 4.089 5.916 ( 0.284 0.000 5.054) 5.062 5.942 ( 0.743 0.000 -0.370) 0.830 5.946 ( 0.355 0.000 -2.445) 2.471 6.057 ( 2.851 0.000 1.133) 3.068 6.188 ( -0.544 0.000 -2.094) 2.164 6.274 ( 3.099 0.000 -3.013) 4.322 6.430 ( -2.609 0.000 -3.213) 4.139 6.451 ( 3.158 0.000 2.964) 4.331 6.605 ( -2.056 0.000 0.801) 2.206 6.652 ( 0.723 0.000 0.217) 0.755 6.750 ( -0.457 0.000 -1.109) 1.199 6.826 ( 2.135 0.000 -3.484) 4.086 7.077 ( -2.762 0.000 2.766) 3.909 7.089 ( -0.964 0.000 -0.341) 1.022 7.321 ( 0.892 0.000 -1.569) 1.805 7.351 ( 2.755 0.000 -1.733) 3.254 7.490 ( 0.870 0.000 2.593) 2.735 7.517 ( 0.542 0.000 -3.090) 3.138 7.909 ( -3.550 0.000 1.235) 3.759 8.028 ( 3.468 0.000 1.309) 3.707 8.312 ( -1.543 0.000 -3.732) 4.038 8.325 ( 1.822 0.000 1.844) 2.592 11.158 ( -0.525 0.000 2.699) 2.750 11.252 ( 1.850 0.000 -1.555) 2.417 11.300 ( -0.893 0.000 -2.562) 2.713 11.345 ( 1.116 0.000 -0.816) 1.383 11.574 ( -2.450 0.000 1.200) 2.728 11.629 ( 0.566 0.000 -0.121) 0.579 11.835 ( -0.405 0.000 -0.079) 0.413 11.846 ( 0.130 0.000 0.243) 0.276 12.292 ( -1.147 0.000 1.106) 1.593 12.341 ( 1.331 0.000 0.730) 1.518 12.371 ( -0.215 0.000 0.952) 0.976 12.398 ( 0.108 0.000 -1.684) 1.687 12.565 ( -0.255 0.000 1.482) 1.504 12.580 ( -0.355 0.000 0.643) 0.735 12.609 ( -0.242 0.000 1.805) 1.821 12.629 ( -0.455 0.000 -0.755) 0.881 12.644 ( -0.724 0.000 -1.487) 1.654 12.655 ( 0.207 0.000 -0.579) 0.615 12.784 ( -0.736 0.000 1.017) 1.255 12.842 ( 1.184 0.000 -1.458) 1.878 12.842 ( -0.855 0.000 0.212) 0.881 12.882 ( 1.268 0.000 -0.448) 1.345 12.963 ( 0.054 0.000 0.348) 0.352 12.964 ( 0.077 0.000 -0.108) 0.132 13.368 ( 0.164 0.000 1.233) 1.244 13.374 ( 0.168 0.000 0.124) 0.208 13.383 ( -0.480 0.000 0.288) 0.560 13.427 ( 0.961 0.000 -1.324) 1.636 13.923 ( -1.445 0.000 -0.440) 1.510 13.964 ( 1.441 0.000 0.679) 1.593 14.034 ( 0.809 0.000 0.119) 0.818 14.044 ( 0.191 0.000 -2.501) 2.508 14.303 ( -0.420 0.000 1.487) 1.545 14.321 ( -0.527 0.000 -0.580) 0.784 14.349 ( 0.102 0.000 0.410) 0.422 14.358 ( 0.066 0.000 -0.641) 0.644 ======================= Grid point 92 (45/84) ======================= q-point: ( 0.22 0.00 -0.67) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( 3.055 0.000 -21.505) 21.720 1.976 ( 6.467 0.000 -18.111) 19.231 2.205 ( 7.103 0.000 18.470) 19.789 2.304 ( 5.433 0.000 22.291) 22.943 2.445 ( 2.520 0.000 -5.415) 5.973 2.536 ( 4.034 0.000 0.251) 4.042 2.695 ( -8.374 0.000 -3.906) 9.240 2.778 ( 3.404 0.000 5.511) 6.478 2.835 ( -5.676 0.000 -1.458) 5.860 2.959 ( 14.784 0.000 -12.161) 19.143 3.034 ( 11.188 0.000 6.999) 13.197 3.036 ( 11.886 0.000 -3.957) 12.527 3.347 ( -4.719 0.000 -7.044) 8.479 3.364 ( -3.025 0.000 4.552) 5.465 3.463 ( -7.238 0.000 4.601) 8.577 3.551 ( 2.014 0.000 -6.913) 7.201 3.631 ( -8.876 0.000 -0.033) 8.876 3.636 ( -1.037 0.000 0.446) 1.129 3.675 ( 3.762 0.000 10.758) 11.397 3.681 ( 3.302 0.000 -1.736) 3.731 3.951 ( -2.926 0.000 -4.511) 5.377 3.985 ( 1.316 0.000 2.333) 2.678 4.143 ( 3.065 0.000 5.352) 6.168 4.205 ( -0.993 0.000 -0.424) 1.080 4.303 ( -8.393 0.000 -6.012) 10.324 4.344 ( -7.823 0.000 7.982) 11.177 4.422 ( 1.329 0.000 0.446) 1.402 4.591 ( -1.551 0.000 -1.504) 2.161 4.761 ( 1.293 0.000 4.743) 4.916 4.821 ( 0.505 0.000 -9.089) 9.103 4.845 ( -2.547 0.000 -3.235) 4.118 5.035 ( 0.016 0.000 1.908) 1.908 5.113 ( -0.501 0.000 4.152) 4.182 5.204 ( -0.261 0.000 1.995) 2.012 5.500 ( -7.190 0.000 -0.247) 7.195 5.592 ( -0.009 0.000 -1.075) 1.075 5.650 ( 2.456 0.000 -0.048) 2.457 5.828 ( -3.187 0.000 0.500) 3.226 5.902 ( -0.574 0.000 -3.884) 3.926 5.932 ( -1.651 0.000 0.308) 1.679 6.033 ( 5.111 0.000 0.523) 5.137 6.083 ( 0.097 0.000 -0.541) 0.550 6.196 ( 1.242 0.000 2.076) 2.419 6.297 ( 4.265 0.000 -2.200) 4.799 6.350 ( -1.368 0.000 -2.587) 2.927 6.525 ( 2.485 0.000 0.600) 2.556 6.569 ( -3.136 0.000 0.479) 3.173 6.667 ( 1.031 0.000 -0.015) 1.031 6.718 ( -0.887 0.000 -2.618) 2.764 6.815 ( 0.541 0.000 -1.956) 2.029 7.072 ( -3.523 0.000 3.728) 5.129 7.089 ( -0.646 0.000 2.583) 2.663 7.332 ( 1.971 0.000 -0.795) 2.125 7.392 ( 3.341 0.000 0.308) 3.355 7.499 ( 2.258 0.000 -2.621) 3.459 7.542 ( 0.762 0.000 2.883) 2.982 7.862 ( -3.349 0.000 0.359) 3.369 8.080 ( 3.279 0.000 -2.340) 4.029 8.258 ( -0.806 0.000 -0.546) 0.973 8.373 ( 0.890 0.000 2.045) 2.230 11.179 ( -0.572 0.000 1.559) 1.660 11.240 ( 2.312 0.000 -4.996) 5.505 11.278 ( -1.129 0.000 1.477) 1.859 11.358 ( 0.836 0.000 0.405) 0.930 11.564 ( -1.585 0.000 2.353) 2.837 11.636 ( 0.228 0.000 0.301) 0.378 11.825 ( -0.605 0.000 -0.284) 0.668 11.853 ( 0.011 0.000 0.490) 0.490 12.295 ( -0.237 0.000 0.773) 0.809 12.371 ( 0.669 0.000 0.345) 0.753 12.377 ( -0.747 0.000 0.973) 1.227 12.379 ( 0.902 0.000 -1.567) 1.808 12.580 ( 0.270 0.000 0.467) 0.539 12.586 ( -0.010 0.000 0.981) 0.981 12.602 ( -0.409 0.000 -1.334) 1.395 12.607 ( -0.966 0.000 -1.740) 1.990 12.621 ( -0.892 0.000 1.035) 1.366 12.651 ( -0.545 0.000 0.184) 0.575 12.783 ( -0.925 0.000 0.930) 1.312 12.837 ( -0.470 0.000 0.664) 0.813 12.839 ( 1.096 0.000 -1.587) 1.929 12.899 ( 1.194 0.000 -0.143) 1.202 12.969 ( 0.254 0.000 0.352) 0.434 12.975 ( 0.386 0.000 0.834) 0.919 13.371 ( 0.058 0.000 -0.649) 0.652 13.372 ( 0.090 0.000 -0.485) 0.493 13.396 ( -0.165 0.000 1.750) 1.758 13.433 ( 1.298 0.000 -0.731) 1.489 13.897 ( -1.160 0.000 -0.185) 1.175 14.000 ( 1.508 0.000 0.005) 1.508 14.017 ( 0.079 0.000 -0.767) 0.771 14.056 ( 0.711 0.000 1.177) 1.375 14.297 ( -0.713 0.000 -1.318) 1.498 14.308 ( -0.669 0.000 0.489) 0.829 14.351 ( 0.123 0.000 -0.634) 0.646 14.352 ( -0.163 0.000 0.119) 0.202 ======================= Grid point 93 (46/84) ======================= q-point: ( 0.33 0.00 -0.67) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( 15.343 0.000 -10.542) 18.616 1.913 ( 12.025 0.000 -12.602) 17.419 2.374 ( -4.048 0.000 -3.506) 5.355 2.474 ( -6.709 0.000 4.014) 7.818 2.522 ( 2.817 0.000 7.388) 7.907 2.589 ( 0.817 0.000 5.059) 5.124 2.705 ( 11.376 0.000 1.310) 11.451 2.713 ( -7.513 0.000 5.068) 9.062 2.964 ( 6.706 0.000 6.638) 9.436 3.054 ( 15.345 0.000 -8.973) 17.776 3.090 ( -3.493 0.000 -10.607) 11.167 3.184 ( 15.067 0.000 -8.397) 17.248 3.308 ( 7.658 0.000 2.268) 7.986 3.371 ( -2.481 0.000 3.292) 4.122 3.419 ( -4.142 0.000 7.387) 8.469 3.462 ( -2.957 0.000 -2.981) 4.199 3.573 ( -1.852 0.000 0.684) 1.974 3.656 ( -3.442 0.000 3.823) 5.144 3.665 ( 2.296 0.000 -6.490) 6.884 3.774 ( -0.276 0.000 2.337) 2.354 3.861 ( -0.098 0.000 -2.660) 2.662 3.962 ( -5.343 0.000 -1.110) 5.457 4.089 ( -7.644 0.000 -1.197) 7.738 4.231 ( -3.439 0.000 1.641) 3.810 4.252 ( -1.700 0.000 4.525) 4.834 4.273 ( -5.758 0.000 5.053) 7.661 4.432 ( -0.576 0.000 -1.009) 1.162 4.566 ( -3.774 0.000 2.113) 4.325 4.730 ( 1.034 0.000 -5.501) 5.597 4.737 ( -2.763 0.000 -5.036) 5.744 4.852 ( 2.552 0.000 2.862) 3.834 5.085 ( 2.227 0.000 5.168) 5.627 5.146 ( -1.940 0.000 1.682) 2.567 5.200 ( -1.542 0.000 -0.360) 1.584 5.424 ( -3.341 0.000 1.083) 3.512 5.601 ( 0.442 0.000 1.742) 1.797 5.637 ( 0.229 0.000 -6.297) 6.301 5.790 ( -1.892 0.000 -0.464) 1.948 5.878 ( 2.406 0.000 0.606) 2.481 5.891 ( -2.594 0.000 0.280) 2.609 6.062 ( -0.922 0.000 -0.974) 1.341 6.101 ( 3.602 0.000 -1.383) 3.858 6.196 ( -1.389 0.000 -2.487) 2.849 6.332 ( 3.045 0.000 -2.711) 4.077 6.364 ( 1.743 0.000 3.395) 3.816 6.535 ( -2.101 0.000 1.078) 2.362 6.540 ( 2.254 0.000 -2.958) 3.719 6.661 ( -1.268 0.000 -2.389) 2.705 6.698 ( 2.002 0.000 0.861) 2.179 6.770 ( -2.203 0.000 -3.005) 3.726 7.053 ( -4.667 0.000 3.127) 5.618 7.135 ( 0.865 0.000 3.626) 3.728 7.354 ( 1.073 0.000 0.491) 1.180 7.456 ( 3.202 0.000 0.989) 3.351 7.526 ( 3.571 0.000 -0.420) 3.595 7.583 ( 0.120 0.000 1.931) 1.935 7.818 ( -2.333 0.000 0.106) 2.336 8.061 ( 1.089 0.000 -5.117) 5.231 8.284 ( 1.626 0.000 2.694) 3.146 8.406 ( -0.280 0.000 2.054) 2.073 11.180 ( -0.844 0.000 0.380) 0.926 11.217 ( 2.693 0.000 -4.310) 5.082 11.286 ( -0.817 0.000 2.267) 2.410 11.380 ( 0.410 0.000 1.231) 1.298 11.585 ( -0.624 0.000 3.080) 3.142 11.646 ( 0.159 0.000 0.833) 0.848 11.810 ( -0.502 0.000 -0.497) 0.706 11.853 ( -0.512 0.000 -0.011) 0.512 12.297 ( -0.372 0.000 -0.126) 0.393 12.357 ( 0.120 0.000 -1.575) 1.580 12.377 ( -0.751 0.000 1.120) 1.349 12.396 ( 1.079 0.000 -0.138) 1.088 12.562 ( -0.158 0.000 -2.074) 2.080 12.566 ( -1.254 0.000 -1.516) 1.967 12.605 ( -0.053 0.000 0.580) 0.582 12.610 ( 0.784 0.000 0.935) 1.220 12.615 ( -0.161 0.000 0.705) 0.723 12.641 ( -1.068 0.000 0.211) 1.088 12.780 ( -1.013 0.000 0.949) 1.388 12.836 ( 1.206 0.000 -1.600) 2.004 12.845 ( -0.281 0.000 1.261) 1.291 12.913 ( 0.695 0.000 -0.135) 0.708 12.982 ( 0.377 0.000 0.937) 1.010 12.996 ( 0.410 0.000 1.269) 1.334 13.362 ( 0.169 0.000 -0.902) 0.918 13.365 ( -0.089 0.000 -0.603) 0.610 13.413 ( -0.303 0.000 1.370) 1.403 13.444 ( 1.131 0.000 -0.645) 1.302 13.883 ( -0.666 0.000 0.326) 0.741 13.982 ( 0.122 0.000 -2.118) 2.122 14.057 ( 1.472 0.000 2.346) 2.770 14.085 ( 0.253 0.000 1.895) 1.912 14.267 ( -0.334 0.000 -1.810) 1.841 14.294 ( -0.810 0.000 -0.770) 1.117 14.346 ( 0.249 0.000 -0.526) 0.582 14.351 ( -0.239 0.000 0.181) 0.300 ======================= Grid point 94 (47/84) ======================= q-point: ( 0.44 0.00 -0.67) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( 12.842 0.000 -2.310) 13.048 2.019 ( 13.588 0.000 -3.876) 14.130 2.270 ( -2.796 0.000 3.319) 4.340 2.304 ( -14.583 0.000 -2.124) 14.737 2.552 ( 2.503 0.000 -2.994) 3.902 2.652 ( -7.661 0.000 2.332) 8.008 2.715 ( -0.983 0.000 4.342) 4.452 2.781 ( 4.149 0.000 -5.895) 7.209 2.980 ( 1.845 0.000 -1.299) 2.256 3.168 ( 0.111 0.000 7.664) 7.665 3.179 ( 6.203 0.000 0.850) 6.261 3.295 ( 3.265 0.000 -4.384) 5.466 3.336 ( 9.621 0.000 -8.712) 12.979 3.359 ( 1.788 0.000 0.234) 1.804 3.480 ( 8.061 0.000 -2.487) 8.436 3.513 ( -2.270 0.000 -1.085) 2.516 3.554 ( -1.485 0.000 5.422) 5.622 3.629 ( 1.500 0.000 4.278) 4.533 3.652 ( 3.483 0.000 -0.404) 3.506 3.731 ( -9.211 0.000 -1.209) 9.290 3.855 ( -7.318 0.000 -1.015) 7.388 3.898 ( 1.288 0.000 2.184) 2.536 4.018 ( -2.378 0.000 4.216) 4.841 4.126 ( -0.003 0.000 1.516) 1.516 4.237 ( -4.833 0.000 2.237) 5.326 4.316 ( -1.598 0.000 0.612) 1.712 4.402 ( -1.363 0.000 0.115) 1.368 4.492 ( -4.327 0.000 0.020) 4.327 4.639 ( -2.772 0.000 -4.207) 5.038 4.689 ( 1.648 0.000 -5.130) 5.388 4.908 ( 0.939 0.000 1.669) 1.915 5.055 ( -3.947 0.000 -1.257) 4.142 5.158 ( -1.879 0.000 -1.306) 2.288 5.305 ( 7.169 0.000 5.901) 9.285 5.360 ( -1.160 0.000 -2.316) 2.590 5.563 ( -0.764 0.000 -1.431) 1.622 5.638 ( 1.133 0.000 0.978) 1.497 5.752 ( -2.190 0.000 0.459) 2.237 5.878 ( -1.545 0.000 2.070) 2.583 5.966 ( 4.737 0.000 1.482) 4.963 6.033 ( -0.710 0.000 -1.504) 1.663 6.050 ( -2.871 0.000 -6.743) 7.329 6.175 ( 1.600 0.000 -0.283) 1.625 6.301 ( -0.601 0.000 -4.339) 4.380 6.427 ( -0.724 0.000 3.492) 3.567 6.542 ( 1.266 0.000 1.235) 1.768 6.548 ( 4.422 0.000 -3.885) 5.886 6.634 ( -0.132 0.000 0.418) 0.438 6.679 ( -3.076 0.000 -2.891) 4.221 6.740 ( 1.915 0.000 -0.241) 1.930 7.018 ( -4.587 0.000 3.437) 5.732 7.192 ( 2.126 0.000 0.292) 2.146 7.388 ( -0.166 0.000 3.774) 3.778 7.504 ( 1.528 0.000 0.031) 1.528 7.590 ( 3.332 0.000 1.223) 3.549 7.595 ( -0.622 0.000 0.765) 0.986 7.796 ( -1.155 0.000 0.945) 1.493 7.993 ( -0.521 0.000 -5.487) 5.512 8.358 ( 2.365 0.000 2.900) 3.742 8.417 ( -1.363 0.000 1.501) 2.027 11.164 ( -1.310 0.000 -0.126) 1.316 11.207 ( 2.304 0.000 -3.286) 4.014 11.319 ( 0.655 0.000 2.819) 2.894 11.399 ( -0.052 0.000 0.974) 0.975 11.615 ( -0.958 0.000 3.087) 3.232 11.662 ( 0.121 0.000 1.052) 1.059 11.803 ( 0.350 0.000 -0.213) 0.410 11.837 ( -0.827 0.000 -0.702) 1.085 12.280 ( -1.015 0.000 -0.396) 1.089 12.334 ( -0.103 0.000 -1.942) 1.944 12.384 ( -0.333 0.000 1.078) 1.129 12.407 ( 0.675 0.000 -0.233) 0.714 12.531 ( -0.655 0.000 -1.067) 1.251 12.534 ( -0.268 0.000 -1.593) 1.615 12.593 ( -0.749 0.000 -0.065) 0.752 12.622 ( -0.488 0.000 -0.584) 0.761 12.638 ( 0.428 0.000 1.201) 1.275 12.643 ( 0.997 0.000 1.136) 1.512 12.775 ( -1.069 0.000 0.862) 1.373 12.836 ( 1.396 0.000 -1.590) 2.116 12.860 ( -0.181 0.000 1.601) 1.611 12.917 ( 0.149 0.000 -0.287) 0.323 13.004 ( 0.287 0.000 1.374) 1.404 13.017 ( -0.045 0.000 1.326) 1.327 13.352 ( -0.479 0.000 -0.683) 0.835 13.354 ( 0.283 0.000 -0.928) 0.970 13.422 ( -0.548 0.000 0.988) 1.130 13.451 ( 0.829 0.000 -0.637) 1.045 13.885 ( -0.020 0.000 0.773) 0.774 13.958 ( 0.143 0.000 -1.742) 1.748 14.112 ( -0.373 0.000 2.207) 2.238 14.115 ( 1.435 0.000 2.676) 3.036 14.240 ( 0.399 0.000 -2.143) 2.180 14.264 ( -0.912 0.000 -1.582) 1.826 14.345 ( 0.378 0.000 -0.347) 0.513 14.348 ( -0.257 0.000 0.038) 0.260 ======================= Grid point 95 (48/84) ======================= q-point: (-0.44 0.00 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( -17.543 0.000 0.619) 17.554 1.950 ( -23.000 0.000 1.021) 23.023 2.231 ( 10.815 0.000 -1.448) 10.911 2.435 ( 12.786 0.000 -2.729) 13.074 2.559 ( 2.347 0.000 -1.216) 2.643 2.566 ( -8.715 0.000 3.482) 9.384 2.737 ( 3.486 0.000 1.776) 3.912 2.763 ( 6.116 0.000 -5.871) 8.478 2.971 ( -7.792 0.000 4.338) 8.918 3.157 ( -16.128 0.000 -2.703) 16.353 3.203 ( -2.493 0.000 -3.537) 4.327 3.262 ( 3.925 0.000 -4.430) 5.919 3.265 ( -10.583 0.000 -1.733) 10.724 3.363 ( 0.217 0.000 0.875) 0.902 3.387 ( -5.170 0.000 -0.887) 5.246 3.552 ( 1.056 0.000 6.275) 6.363 3.621 ( 8.686 0.000 -3.273) 9.282 3.704 ( -1.352 0.000 -1.921) 2.349 3.722 ( 4.911 0.000 2.806) 5.656 3.752 ( 7.876 0.000 1.920) 8.107 3.808 ( 0.922 0.000 6.774) 6.837 3.890 ( -2.607 0.000 1.696) 3.110 4.105 ( 3.608 0.000 1.446) 3.887 4.213 ( -0.666 0.000 2.912) 2.987 4.229 ( -0.182 0.000 -3.089) 3.094 4.280 ( 7.370 0.000 0.548) 7.391 4.406 ( 1.798 0.000 0.961) 2.039 4.464 ( 0.389 0.000 0.380) 0.544 4.532 ( -4.360 0.000 -2.192) 4.880 4.650 ( 2.720 0.000 -4.255) 5.050 4.953 ( 1.489 0.000 3.185) 3.516 4.998 ( -1.600 0.000 -1.337) 2.085 5.113 ( -2.190 0.000 -0.111) 2.193 5.235 ( 0.052 0.000 -5.721) 5.721 5.533 ( 1.859 0.000 2.253) 2.921 5.616 ( 6.391 0.000 8.433) 10.581 5.643 ( 1.662 0.000 -3.408) 3.791 5.712 ( -4.354 0.000 -3.569) 5.630 5.865 ( -2.520 0.000 2.467) 3.526 5.932 ( -2.992 0.000 -0.621) 3.056 5.990 ( -0.689 0.000 -3.068) 3.144 6.022 ( 0.904 0.000 -1.343) 1.619 6.214 ( 2.736 0.000 0.847) 2.864 6.232 ( -0.052 0.000 -3.848) 3.848 6.428 ( -2.683 0.000 1.232) 2.952 6.542 ( -0.593 0.000 -2.741) 2.804 6.594 ( 3.059 0.000 1.104) 3.252 6.633 ( 3.143 0.000 -3.393) 4.625 6.665 ( 0.814 0.000 2.449) 2.581 6.753 ( 1.871 0.000 -1.794) 2.592 7.010 ( -3.813 0.000 5.430) 6.635 7.194 ( 0.771 0.000 -3.303) 3.392 7.437 ( -0.839 0.000 3.929) 4.018 7.512 ( 0.558 0.000 -0.720) 0.911 7.594 ( -1.164 0.000 0.940) 1.496 7.650 ( 1.907 0.000 0.829) 2.080 7.814 ( 0.698 0.000 2.670) 2.760 7.903 ( -1.322 0.000 -5.546) 5.701 8.400 ( -2.458 0.000 0.488) 2.505 8.427 ( 2.066 0.000 1.902) 2.808 11.138 ( -1.791 0.000 0.037) 1.791 11.201 ( 1.594 0.000 -2.152) 2.678 11.375 ( 1.824 0.000 2.128) 2.803 11.401 ( -0.261 0.000 -0.206) 0.332 11.636 ( -1.429 0.000 2.891) 3.225 11.673 ( -0.281 0.000 0.548) 0.616 11.811 ( 0.723 0.000 0.005) 0.723 11.812 ( -0.713 0.000 -0.904) 1.152 12.264 ( -0.841 0.000 0.634) 1.053 12.305 ( -0.238 0.000 -1.640) 1.657 12.390 ( -0.473 0.000 0.710) 0.853 12.412 ( 0.495 0.000 -0.396) 0.634 12.513 ( -0.334 0.000 -0.746) 0.818 12.519 ( 0.299 0.000 -0.449) 0.539 12.586 ( -0.459 0.000 0.509) 0.685 12.607 ( -0.259 0.000 -0.468) 0.534 12.656 ( 0.233 0.000 0.305) 0.383 12.668 ( 0.699 0.000 0.339) 0.777 12.770 ( -1.148 0.000 0.953) 1.492 12.837 ( 1.421 0.000 -1.626) 2.160 12.879 ( -0.158 0.000 1.523) 1.531 12.912 ( -0.001 0.000 -0.527) 0.527 13.023 ( -0.218 0.000 1.208) 1.228 13.026 ( -0.759 0.000 0.835) 1.129 13.333 ( -0.770 0.000 -0.389) 0.862 13.347 ( 0.222 0.000 -0.637) 0.674 13.424 ( -0.676 0.000 0.736) 1.000 13.455 ( 0.707 0.000 -0.555) 0.899 13.900 ( 0.392 0.000 0.946) 1.024 13.939 ( 0.248 0.000 -1.579) 1.598 14.134 ( -0.562 0.000 2.410) 2.475 14.171 ( 1.050 0.000 2.550) 2.758 14.223 ( 1.116 0.000 -2.345) 2.597 14.223 ( -1.027 0.000 -2.209) 2.436 14.343 ( -0.289 0.000 -0.155) 0.328 14.350 ( 0.569 0.000 -0.145) 0.587 ======================= Grid point 96 (49/84) ======================= q-point: (-0.33 0.00 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( -27.592 0.000 2.184) 27.678 1.572 ( -28.186 0.000 4.238) 28.503 2.287 ( -11.374 0.000 2.791) 11.712 2.405 ( -14.463 0.000 -4.625) 15.184 2.553 ( 2.494 0.000 -4.085) 4.786 2.577 ( 8.422 0.000 0.712) 8.452 2.621 ( -21.595 0.000 4.483) 22.055 2.848 ( 6.534 0.000 -0.247) 6.539 2.854 ( 4.898 0.000 0.202) 4.903 2.945 ( -5.615 0.000 4.076) 6.939 3.114 ( -0.250 0.000 -7.954) 7.957 3.221 ( -1.332 0.000 0.757) 1.532 3.226 ( -0.905 0.000 1.190) 1.495 3.346 ( -6.350 0.000 -2.363) 6.775 3.380 ( 0.574 0.000 1.690) 1.785 3.610 ( 2.406 0.000 3.178) 3.986 3.622 ( -0.591 0.000 -5.686) 5.717 3.752 ( 6.292 0.000 3.548) 7.223 3.798 ( 1.119 0.000 0.237) 1.144 3.858 ( 3.339 0.000 -1.323) 3.592 3.897 ( 1.619 0.000 0.533) 1.705 3.902 ( 2.085 0.000 0.090) 2.087 4.134 ( 1.253 0.000 0.631) 1.403 4.149 ( -1.378 0.000 -1.529) 2.058 4.302 ( 2.805 0.000 4.859) 5.611 4.392 ( 5.621 0.000 -4.745) 7.356 4.416 ( -2.783 0.000 -1.565) 3.193 4.510 ( 8.384 0.000 1.325) 8.488 4.570 ( 3.912 0.000 4.867) 6.244 4.673 ( 3.552 0.000 -1.227) 3.758 4.948 ( -0.402 0.000 -3.453) 3.476 5.057 ( 4.466 0.000 4.500) 6.340 5.115 ( -0.548 0.000 5.264) 5.293 5.210 ( 1.960 0.000 -1.330) 2.368 5.509 ( -5.464 0.000 -10.597) 11.922 5.569 ( 0.589 0.000 2.264) 2.339 5.611 ( -0.128 0.000 -3.054) 3.057 5.822 ( 4.823 0.000 4.249) 6.428 5.882 ( -3.451 0.000 1.076) 3.615 5.923 ( -0.144 0.000 5.740) 5.742 5.931 ( -1.491 0.000 -0.949) 1.767 5.982 ( -1.318 0.000 -2.616) 2.929 6.204 ( 1.624 0.000 -2.949) 3.367 6.276 ( 2.761 0.000 1.253) 3.032 6.395 ( -2.492 0.000 0.860) 2.636 6.484 ( -2.885 0.000 -1.150) 3.106 6.638 ( 3.424 0.000 -4.918) 5.992 6.669 ( 3.727 0.000 1.833) 4.153 6.699 ( -0.331 0.000 1.407) 1.446 6.773 ( 4.954 0.000 -3.039) 5.812 7.034 ( -2.995 0.000 6.078) 6.776 7.149 ( -0.235 0.000 -2.996) 3.005 7.459 ( -1.175 0.000 1.857) 2.197 7.511 ( 0.839 0.000 -1.315) 1.560 7.565 ( -2.599 0.000 -0.803) 2.720 7.659 ( 0.036 0.000 -2.075) 2.075 7.822 ( -1.052 0.000 -2.565) 2.772 7.888 ( 2.500 0.000 3.687) 4.455 8.351 ( -3.625 0.000 -0.585) 3.672 8.471 ( 1.561 0.000 0.274) 1.584 11.111 ( -2.012 0.000 0.594) 2.097 11.201 ( 1.196 0.000 -1.207) 1.699 11.388 ( 0.052 0.000 -1.414) 1.415 11.421 ( 1.633 0.000 0.258) 1.653 11.646 ( -1.561 0.000 2.061) 2.586 11.664 ( -0.930 0.000 -0.432) 1.025 11.793 ( -0.488 0.000 -0.422) 0.645 11.826 ( 0.770 0.000 0.506) 0.921 12.271 ( -0.504 0.000 1.854) 1.921 12.290 ( 0.168 0.000 -0.456) 0.486 12.387 ( -0.809 0.000 0.365) 0.887 12.413 ( 0.486 0.000 -0.620) 0.787 12.506 ( -0.185 0.000 0.464) 0.500 12.522 ( 0.370 0.000 -0.166) 0.406 12.592 ( -0.239 0.000 1.029) 1.056 12.604 ( 0.461 0.000 -0.169) 0.491 12.651 ( -0.521 0.000 -0.547) 0.756 12.676 ( 0.559 0.000 -0.516) 0.761 12.765 ( -1.184 0.000 1.182) 1.673 12.838 ( 1.377 0.000 -1.535) 2.062 12.893 ( -0.476 0.000 1.098) 1.197 12.904 ( 0.250 0.000 -0.880) 0.915 13.015 ( -1.247 0.000 0.077) 1.249 13.026 ( -0.868 0.000 0.421) 0.965 13.321 ( -0.713 0.000 0.408) 0.822 13.345 ( 0.069 0.000 0.024) 0.073 13.421 ( -0.694 0.000 0.538) 0.878 13.458 ( 0.692 0.000 -0.645) 0.946 13.919 ( 0.357 0.000 0.896) 0.965 13.925 ( 0.526 0.000 -1.430) 1.523 14.155 ( -1.062 0.000 1.097) 1.527 14.178 ( -0.279 0.000 -1.198) 1.230 14.196 ( 0.654 0.000 -1.874) 1.985 14.227 ( 1.086 0.000 1.260) 1.663 14.337 ( -0.247 0.000 -0.119) 0.274 14.359 ( 0.746 0.000 -0.120) 0.756 ======================= Grid point 97 (50/84) ======================= q-point: (-0.22 0.00 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( -30.311 0.000 6.556) 31.012 1.194 ( -27.752 0.000 12.359) 30.380 1.864 ( -41.306 0.000 23.774) 47.659 2.331 ( -2.481 0.000 1.897) 3.123 2.507 ( -4.738 0.000 2.823) 5.515 2.533 ( 0.347 0.000 -1.616) 1.653 2.710 ( 1.524 0.000 3.637) 3.943 2.871 ( 0.470 0.000 -5.555) 5.575 2.903 ( 6.979 0.000 -2.763) 7.506 2.933 ( -1.611 0.000 -0.168) 1.620 3.020 ( 3.013 0.000 -8.726) 9.232 3.142 ( -8.797 0.000 -5.534) 10.393 3.228 ( -2.413 0.000 1.423) 2.801 3.281 ( 0.040 0.000 8.002) 8.002 3.423 ( -0.693 0.000 4.076) 4.135 3.560 ( 1.516 0.000 -3.033) 3.391 3.660 ( 1.668 0.000 -1.577) 2.295 3.792 ( -0.256 0.000 -1.148) 1.176 3.851 ( 6.411 0.000 -3.280) 7.201 3.880 ( 2.675 0.000 -3.537) 4.435 3.885 ( 4.382 0.000 -7.028) 8.282 3.981 ( 4.990 0.000 3.949) 6.363 4.167 ( 1.934 0.000 1.084) 2.217 4.175 ( -2.575 0.000 4.835) 5.478 4.270 ( -7.528 0.000 -2.053) 7.803 4.382 ( 1.026 0.000 2.479) 2.683 4.463 ( 4.443 0.000 -1.939) 4.848 4.655 ( 5.085 0.000 1.826) 5.403 4.661 ( 1.370 0.000 1.653) 2.147 4.700 ( 2.141 0.000 -1.058) 2.388 4.914 ( 2.984 0.000 -3.966) 4.963 5.126 ( -0.949 0.000 0.228) 0.976 5.236 ( 1.665 0.000 0.167) 1.674 5.248 ( 3.863 0.000 4.414) 5.865 5.361 ( 2.163 0.000 -1.423) 2.590 5.563 ( -2.662 0.000 -0.835) 2.790 5.607 ( 0.111 0.000 1.272) 1.277 5.823 ( -0.229 0.000 -1.965) 1.978 5.842 ( -1.308 0.000 -0.207) 1.325 5.929 ( -1.309 0.000 -2.126) 2.497 5.985 ( 0.135 0.000 4.549) 4.551 5.993 ( -0.253 0.000 4.115) 4.122 6.202 ( 2.454 0.000 -1.509) 2.881 6.317 ( 1.049 0.000 -0.674) 1.247 6.389 ( -1.059 0.000 3.357) 3.520 6.417 ( -3.291 0.000 -1.658) 3.685 6.623 ( 3.002 0.000 -4.128) 5.104 6.686 ( -1.567 0.000 -0.695) 1.714 6.764 ( 3.905 0.000 2.801) 4.805 6.816 ( 6.134 0.000 -4.581) 7.656 7.071 ( -1.885 0.000 4.894) 5.244 7.126 ( 0.096 0.000 -0.216) 0.237 7.448 ( -1.331 0.000 -0.355) 1.377 7.483 ( 0.473 0.000 -5.062) 5.084 7.501 ( -2.571 0.000 -2.149) 3.351 7.619 ( -0.654 0.000 -1.737) 1.856 7.811 ( 0.254 0.000 1.441) 1.463 7.956 ( 0.724 0.000 1.161) 1.368 8.276 ( -4.041 0.000 -0.514) 4.073 8.481 ( 0.796 0.000 -1.634) 1.818 11.094 ( -1.680 0.000 1.487) 2.244 11.208 ( 1.060 0.000 -0.505) 1.175 11.370 ( 0.652 0.000 -1.943) 2.049 11.430 ( 0.789 0.000 -1.801) 1.966 11.637 ( -0.946 0.000 -0.874) 1.288 11.641 ( -1.543 0.000 1.028) 1.854 11.792 ( 0.136 0.000 1.014) 1.023 11.846 ( 0.489 0.000 0.699) 0.853 12.291 ( -0.705 0.000 2.245) 2.354 12.295 ( 0.326 0.000 0.305) 0.446 12.376 ( -0.926 0.000 0.103) 0.932 12.414 ( 0.756 0.000 -0.624) 0.981 12.519 ( -0.151 0.000 1.686) 1.693 12.527 ( 0.006 0.000 0.536) 0.536 12.599 ( -0.316 0.000 0.569) 0.651 12.618 ( 1.067 0.000 0.267) 1.100 12.631 ( -0.547 0.000 -0.659) 0.856 12.677 ( 0.743 0.000 -0.736) 1.046 12.764 ( -1.066 0.000 1.439) 1.790 12.841 ( 1.439 0.000 -1.415) 2.018 12.892 ( -1.000 0.000 0.553) 1.143 12.895 ( 0.482 0.000 -1.392) 1.474 12.993 ( -1.143 0.000 -0.317) 1.187 13.009 ( -1.121 0.000 -0.344) 1.172 13.322 ( -0.549 0.000 1.126) 1.253 13.349 ( -0.077 0.000 0.485) 0.491 13.415 ( -0.713 0.000 0.270) 0.762 13.458 ( 0.600 0.000 -0.993) 1.160 13.919 ( 0.859 0.000 -1.094) 1.391 13.936 ( 0.172 0.000 0.981) 0.996 14.110 ( -1.229 0.000 -2.674) 2.943 14.165 ( -0.021 0.000 -3.323) 3.323 14.204 ( 0.402 0.000 2.504) 2.536 14.264 ( 0.619 0.000 1.873) 1.972 14.333 ( -0.150 0.000 0.054) 0.159 14.368 ( 0.710 0.000 -0.389) 0.809 ======================= Grid point 98 (51/84) ======================= q-point: (-0.11 0.00 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( -9.458 0.000 28.248) 29.789 1.102 ( -15.357 0.000 27.020) 31.079 1.749 ( -25.661 0.000 39.351) 46.978 2.293 ( -3.442 0.000 0.942) 3.569 2.523 ( -4.913 0.000 8.190) 9.551 2.542 ( 2.829 0.000 -0.585) 2.889 2.719 ( -1.961 0.000 0.686) 2.077 2.742 ( 0.661 0.000 -13.777) 13.793 2.850 ( -2.612 0.000 -14.635) 14.866 2.897 ( 0.046 0.000 -0.661) 0.662 3.004 ( 4.229 0.000 -1.944) 4.654 3.030 ( -1.385 0.000 -2.368) 2.743 3.230 ( 2.787 0.000 3.701) 4.633 3.353 ( -1.487 0.000 3.034) 3.379 3.478 ( -3.698 0.000 8.864) 9.605 3.576 ( 2.596 0.000 -2.523) 3.620 3.648 ( 0.802 0.000 -3.944) 4.025 3.807 ( 2.830 0.000 2.452) 3.744 3.857 ( 4.342 0.000 -6.253) 7.613 3.890 ( 5.325 0.000 -4.785) 7.159 3.893 ( 3.836 0.000 -4.498) 5.911 4.044 ( -1.283 0.000 -1.939) 2.325 4.100 ( -7.047 0.000 -1.362) 7.177 4.144 ( -6.415 0.000 2.646) 6.939 4.254 ( 3.329 0.000 3.306) 4.692 4.433 ( -0.830 0.000 5.780) 5.839 4.505 ( 2.705 0.000 -0.435) 2.740 4.655 ( -2.344 0.000 0.276) 2.360 4.656 ( 1.132 0.000 -5.314) 5.433 4.769 ( 1.880 0.000 3.620) 4.079 4.939 ( 6.444 0.000 -4.585) 7.909 5.089 ( -0.512 0.000 -0.775) 0.928 5.250 ( -0.358 0.000 -0.101) 0.372 5.262 ( -1.503 0.000 -6.198) 6.378 5.499 ( 4.175 0.000 7.242) 8.359 5.542 ( 0.709 0.000 4.407) 4.464 5.585 ( -1.642 0.000 -1.266) 2.073 5.839 ( 0.551 0.000 -0.143) 0.570 5.848 ( 1.434 0.000 1.550) 2.111 5.878 ( -2.122 0.000 -0.027) 2.123 6.007 ( -0.835 0.000 0.389) 0.921 6.015 ( -1.903 0.000 1.758) 2.591 6.250 ( 3.425 0.000 0.736) 3.503 6.294 ( -0.168 0.000 -3.065) 3.069 6.344 ( -1.762 0.000 -2.144) 2.775 6.442 ( -0.301 0.000 4.909) 4.918 6.630 ( 2.636 0.000 -1.925) 3.264 6.648 ( -1.096 0.000 -1.232) 1.649 6.824 ( 0.745 0.000 -1.044) 1.282 6.839 ( 5.225 0.000 -5.565) 7.634 7.093 ( -2.148 0.000 3.101) 3.772 7.134 ( -0.080 0.000 0.363) 0.372 7.409 ( 0.521 0.000 -6.090) 6.113 7.413 ( -1.326 0.000 -2.328) 2.679 7.442 ( -0.780 0.000 -1.136) 1.378 7.591 ( -0.697 0.000 -1.470) 1.627 7.861 ( 1.910 0.000 3.203) 3.729 7.947 ( -2.511 0.000 1.731) 3.050 8.240 ( -1.010 0.000 1.472) 1.785 8.452 ( -0.208 0.000 -3.327) 3.334 11.100 ( -0.929 0.000 2.580) 2.743 11.221 ( 1.121 0.000 -0.182) 1.136 11.356 ( 1.028 0.000 -2.232) 2.457 11.403 ( 0.111 0.000 -3.131) 3.133 11.620 ( 0.080 0.000 -0.610) 0.616 11.626 ( -1.673 0.000 0.531) 1.755 11.824 ( 1.426 0.000 0.945) 1.710 11.854 ( -0.278 0.000 0.107) 0.298 12.304 ( -1.396 0.000 2.092) 2.515 12.304 ( 0.261 0.000 0.325) 0.417 12.363 ( -0.563 0.000 0.001) 0.563 12.419 ( 0.867 0.000 -0.768) 1.158 12.537 ( -0.737 0.000 1.888) 2.027 12.540 ( -0.029 0.000 1.615) 1.616 12.597 ( -0.301 0.000 0.036) 0.304 12.622 ( 0.517 0.000 -0.351) 0.625 12.646 ( 1.278 0.000 0.454) 1.356 12.678 ( 0.462 0.000 -0.771) 0.899 12.770 ( -0.783 0.000 1.567) 1.752 12.842 ( 1.148 0.000 -1.540) 1.921 12.877 ( -1.292 0.000 0.160) 1.302 12.883 ( 0.581 0.000 -1.673) 1.771 12.974 ( -0.758 0.000 -0.257) 0.800 12.986 ( -0.816 0.000 -0.606) 1.016 13.331 ( -0.435 0.000 1.487) 1.549 13.355 ( -0.047 0.000 0.649) 0.651 13.405 ( -0.738 0.000 -0.022) 0.738 13.450 ( 0.465 0.000 -1.441) 1.514 13.923 ( 1.108 0.000 -0.576) 1.249 13.950 ( -0.266 0.000 1.065) 1.098 14.059 ( -0.539 0.000 -2.608) 2.663 14.116 ( -0.310 0.000 -3.113) 3.129 14.245 ( 0.383 0.000 2.600) 2.628 14.298 ( 0.620 0.000 1.828) 1.931 14.334 ( -0.022 0.000 0.280) 0.281 14.370 ( 0.471 0.000 -0.680) 0.827 ======================= Grid point 99 (52/84) ======================= q-point: ( 0.00 0.25 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( -0.677 8.225 26.030) 27.307 1.598 ( 5.345 12.230 27.106) 30.213 2.096 ( -0.273 -14.586 7.454) 16.383 2.255 ( 1.936 -6.283 13.805) 15.291 2.352 ( 0.212 4.778 8.007) 9.326 2.508 ( -0.629 -0.619 -6.890) 6.946 2.595 ( -0.998 4.268 -4.774) 6.481 2.657 ( -1.677 0.592 -9.491) 9.656 2.782 ( 0.455 2.234 -4.568) 5.105 2.944 ( -0.804 2.939 1.100) 3.240 3.001 ( 2.189 3.388 -4.673) 6.173 3.091 ( -0.702 4.440 -1.634) 4.783 3.286 ( -1.317 -4.046 1.910) 4.663 3.340 ( 2.367 -5.086 6.663) 8.710 3.493 ( -3.629 -0.063 1.118) 3.798 3.522 ( -1.668 -1.777 1.085) 2.668 3.597 ( 1.420 -6.573 -1.989) 7.013 3.644 ( 2.834 -4.133 -1.100) 5.130 3.752 ( 0.474 -1.938 -5.322) 5.684 3.835 ( -0.347 -2.441 -4.376) 5.022 3.962 ( -4.633 2.156 -0.268) 5.117 4.052 ( -3.189 -2.798 4.021) 5.846 4.087 ( 0.201 3.202 -1.902) 3.729 4.138 ( -1.424 2.457 4.239) 5.102 4.268 ( -0.690 0.068 -1.240) 1.420 4.413 ( 3.883 -2.133 2.957) 5.326 4.577 ( -0.614 2.113 -1.054) 2.440 4.595 ( -0.073 -1.993 2.706) 3.362 4.692 ( -0.417 2.459 0.161) 2.500 4.823 ( -1.401 -3.835 -0.654) 4.135 4.988 ( 4.309 1.686 -7.564) 8.867 5.009 ( -0.493 -1.295 -4.822) 5.017 5.179 ( -1.047 4.644 2.280) 5.279 5.266 ( -3.519 1.673 -1.471) 4.165 5.561 ( 0.717 -0.197 2.589) 2.693 5.646 ( 2.361 -2.244 3.245) 4.598 5.653 ( 1.815 2.154 1.040) 3.003 5.792 ( -2.560 -0.011 -1.642) 3.041 5.851 ( 1.377 -0.176 1.762) 2.243 5.929 ( 2.449 -1.389 0.085) 2.817 6.017 ( -1.614 3.900 1.233) 4.397 6.053 ( -0.640 3.273 -1.495) 3.655 6.232 ( 0.540 0.015 -3.370) 3.413 6.281 ( 1.511 -0.642 -3.614) 3.970 6.383 ( 2.306 1.664 4.126) 5.010 6.489 ( 0.553 -0.340 1.672) 1.794 6.560 ( -1.123 -2.496 1.185) 2.982 6.636 ( 0.814 -2.395 -2.803) 3.775 6.827 ( -1.019 4.122 -1.682) 4.567 6.846 ( 1.611 2.137 -2.413) 3.603 7.043 ( -2.690 -3.708 0.979) 4.685 7.092 ( 0.412 -3.256 -1.314) 3.535 7.319 ( 0.069 -0.141 -1.438) 1.447 7.395 ( -0.078 -1.065 -1.304) 1.685 7.441 ( 0.231 1.813 -0.876) 2.027 7.545 ( -0.483 -1.116 -2.778) 3.032 7.962 ( 1.039 1.503 2.730) 3.285 7.965 ( 0.070 1.747 2.583) 3.119 8.270 ( 0.799 0.337 0.927) 1.269 8.363 ( -1.246 -2.352 -3.634) 4.505 11.132 ( -0.013 0.555 2.210) 2.279 11.208 ( 1.791 -2.354 -0.538) 3.006 11.343 ( -0.955 0.948 -1.290) 1.865 11.378 ( -0.033 0.641 -2.680) 2.755 11.603 ( -1.398 0.156 0.317) 1.442 11.618 ( 0.668 -0.290 -0.319) 0.795 11.840 ( 0.175 -0.103 0.140) 0.247 11.843 ( -0.540 -0.120 -0.123) 0.567 12.311 ( -1.452 0.900 1.455) 2.244 12.334 ( 0.434 1.348 0.423) 1.478 12.356 ( -0.080 -0.391 0.575) 0.700 12.407 ( 0.334 -0.847 -1.212) 1.516 12.548 ( -0.516 -0.004 1.542) 1.626 12.563 ( 0.136 -0.339 1.392) 1.440 12.599 ( 0.011 0.435 0.578) 0.724 12.624 ( 0.165 -0.451 0.244) 0.539 12.643 ( 0.537 -1.032 -0.561) 1.292 12.661 ( -0.098 -0.901 -1.060) 1.394 12.787 ( -0.846 0.809 1.400) 1.825 12.831 ( -0.410 -0.751 0.125) 0.864 12.870 ( 0.927 0.960 -1.054) 1.701 12.887 ( 0.376 0.680 -1.276) 1.494 12.961 ( -0.152 -0.194 -0.035) 0.249 12.965 ( -0.438 -0.357 -0.392) 0.688 13.349 ( -0.148 0.157 1.534) 1.549 13.361 ( 0.119 -0.299 0.829) 0.890 13.402 ( -0.469 0.719 -0.406) 0.949 13.432 ( 0.343 -0.425 -1.466) 1.564 13.942 ( 0.908 0.283 0.088) 0.955 13.950 ( -0.652 0.100 0.304) 0.726 14.033 ( 0.406 0.300 -1.775) 1.845 14.066 ( 0.204 -0.801 -2.694) 2.818 14.288 ( 0.028 0.541 2.040) 2.111 14.317 ( 0.098 -0.543 1.075) 1.208 14.343 ( 0.097 0.285 0.188) 0.355 14.362 ( 0.108 -0.339 -0.591) 0.690 ======================= Grid point 100 (53/84) ======================= q-point: ( 0.11 0.25 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( 4.714 3.821 22.635) 23.434 2.023 ( 5.127 8.550 21.634) 23.821 2.125 ( 1.053 -1.720 -7.735) 7.994 2.269 ( 2.438 3.084 -19.062) 19.463 2.366 ( 4.679 -6.923 -1.641) 8.515 2.447 ( 1.784 -6.050 -9.386) 11.308 2.549 ( 4.325 -4.892 8.111) 10.413 2.713 ( 4.306 -7.887 -6.888) 11.323 2.821 ( 2.548 6.803 8.330) 11.053 2.933 ( -1.819 5.445 3.412) 6.678 3.017 ( 1.895 5.250 1.044) 5.678 3.048 ( 2.591 4.424 -4.522) 6.836 3.337 ( -0.894 -1.015 4.344) 4.550 3.391 ( -3.548 0.520 1.676) 3.958 3.423 ( -0.175 -5.820 1.524) 6.019 3.486 ( -1.955 -3.357 0.955) 4.000 3.628 ( 1.445 -0.477 -1.443) 2.097 3.659 ( -1.072 -0.433 -3.338) 3.532 3.709 ( 0.540 -0.070 -0.842) 1.002 3.743 ( -0.697 -2.643 -1.777) 3.260 3.871 ( -6.020 4.115 -0.271) 7.297 4.047 ( -3.693 -1.556 2.297) 4.620 4.132 ( 3.212 -3.506 1.546) 5.000 4.169 ( 2.370 2.925 0.870) 3.864 4.321 ( -2.619 1.865 11.023) 11.482 4.438 ( -1.068 0.012 -3.647) 3.801 4.504 ( -5.355 -0.879 -6.225) 8.258 4.550 ( 2.279 -2.455 -0.063) 3.350 4.744 ( -0.968 0.229 3.984) 4.107 4.797 ( -1.870 -5.640 -0.722) 5.985 4.928 ( -0.251 1.250 -3.707) 3.920 4.976 ( 3.865 0.362 -4.832) 6.198 5.191 ( -2.444 3.098 0.919) 4.052 5.221 ( -0.811 3.576 1.870) 4.116 5.602 ( -1.474 -0.891 0.937) 1.961 5.628 ( -3.505 -0.384 -0.894) 3.638 5.647 ( -0.425 2.999 -1.180) 3.251 5.816 ( 2.954 -2.852 2.045) 4.587 5.884 ( -0.030 -1.643 0.740) 1.802 5.928 ( 0.189 -1.513 -3.172) 3.519 6.006 ( -0.457 4.757 1.765) 5.095 6.076 ( 1.941 1.385 0.762) 2.504 6.196 ( -0.122 0.475 -1.485) 1.564 6.259 ( 1.974 -1.462 -3.659) 4.407 6.477 ( 0.197 2.772 0.595) 2.842 6.484 ( 1.591 2.219 0.225) 2.739 6.556 ( -1.298 -2.538 0.897) 2.988 6.620 ( 0.686 -3.593 -1.192) 3.847 6.797 ( -0.122 4.697 -1.117) 4.830 6.844 ( 1.432 2.331 -1.345) 3.048 7.011 ( -2.761 -3.919 1.463) 5.012 7.089 ( 0.995 -2.782 -0.723) 3.042 7.322 ( 0.136 0.770 0.920) 1.208 7.371 ( 1.147 0.815 -2.059) 2.494 7.471 ( 1.111 -1.018 2.258) 2.714 7.508 ( 0.819 -0.942 -3.047) 3.293 7.945 ( -3.005 3.048 0.737) 4.343 8.036 ( 2.454 0.271 1.145) 2.722 8.296 ( -1.180 -1.165 -2.671) 3.144 8.309 ( 1.578 -1.284 1.417) 2.480 11.158 ( 0.102 0.261 1.435) 1.462 11.225 ( 2.229 -2.241 -2.244) 3.877 11.313 ( -1.432 1.422 0.088) 2.020 11.356 ( 0.397 0.318 -0.810) 0.956 11.581 ( -1.912 0.680 0.678) 2.139 11.622 ( 0.324 -0.617 -0.253) 0.741 11.835 ( -0.391 0.083 0.092) 0.410 11.845 ( 0.173 -0.124 0.235) 0.316 12.308 ( -0.938 1.309 1.139) 1.973 12.352 ( 0.945 0.782 0.507) 1.327 12.365 ( -0.139 -0.513 0.900) 1.046 12.393 ( 0.138 -0.496 -1.449) 1.538 12.561 ( -0.332 -0.065 1.153) 1.202 12.579 ( 0.150 -0.228 0.865) 0.907 12.610 ( -0.216 0.111 1.104) 1.131 12.621 ( -0.452 -0.463 -0.612) 0.891 12.638 ( -0.502 -0.554 -1.241) 1.449 12.641 ( 0.112 -1.041 -0.512) 1.165 12.790 ( -0.979 0.635 1.162) 1.647 12.825 ( -0.579 -0.597 0.251) 0.869 12.870 ( 0.768 1.265 -1.118) 1.854 12.886 ( 1.201 0.258 -0.704) 1.415 12.955 ( -0.266 -0.269 0.068) 0.384 12.966 ( 0.488 -0.184 0.160) 0.546 13.368 ( 0.150 0.026 1.057) 1.068 13.372 ( 0.160 -0.124 0.308) 0.368 13.392 ( -0.219 0.716 0.044) 0.751 13.422 ( 0.776 -0.428 -1.086) 1.402 13.932 ( -1.179 0.774 -0.346) 1.452 13.963 ( 1.029 -0.174 0.576) 1.192 14.028 ( 0.520 -0.357 -0.594) 0.867 14.039 ( 0.509 -0.464 -1.915) 2.035 14.308 ( -0.386 0.369 1.283) 1.389 14.320 ( -0.531 -0.094 -0.223) 0.584 14.348 ( 0.097 -0.068 0.299) 0.322 14.355 ( 0.051 -0.275 -0.513) 0.584 ======================= Grid point 101 (54/84) ======================= q-point: ( 0.22 0.25 -0.67) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( 2.693 3.401 -14.439) 15.077 2.032 ( 8.411 4.431 -17.198) 19.651 2.183 ( 4.903 -0.723 7.189) 8.732 2.354 ( 6.584 -2.593 1.343) 7.202 2.392 ( 8.032 -2.412 2.416) 8.727 2.494 ( 4.248 0.497 7.222) 8.394 2.676 ( 0.244 -5.780 -1.813) 6.063 2.742 ( 0.696 -2.726 6.653) 7.224 2.797 ( -3.625 2.998 -0.532) 4.734 3.034 ( 5.370 1.477 -0.933) 5.647 3.082 ( 8.417 3.881 4.221) 10.185 3.103 ( 8.815 8.272 -3.820) 12.677 3.293 ( -2.519 -3.069 -3.561) 5.334 3.351 ( -1.599 -5.526 -1.796) 6.026 3.438 ( -4.638 0.714 1.506) 4.928 3.498 ( -2.824 -2.383 -3.038) 4.784 3.550 ( -1.059 -7.115 3.335) 7.929 3.625 ( -0.567 2.150 -2.665) 3.470 3.704 ( -1.202 -1.013 1.238) 2.001 3.755 ( -2.324 0.011 -1.923) 3.017 3.865 ( 1.723 0.206 9.501) 9.658 3.992 ( -3.514 3.334 -1.242) 5.001 4.118 ( -4.003 -3.578 -0.418) 5.386 4.245 ( -3.176 -3.233 -2.543) 5.196 4.351 ( 0.432 5.387 -0.444) 5.422 4.374 ( -1.298 3.178 4.754) 5.864 4.444 ( -1.338 1.614 4.255) 4.744 4.584 ( -1.670 -0.655 1.001) 2.054 4.707 ( -0.400 -3.679 -3.233) 4.914 4.784 ( -1.662 -2.466 0.535) 3.022 4.865 ( 0.437 1.831 -3.363) 3.854 5.005 ( 1.623 -3.199 0.500) 3.622 5.143 ( -3.529 4.451 1.302) 5.828 5.286 ( 1.908 3.923 5.329) 6.887 5.489 ( -7.486 -0.570 -0.742) 7.544 5.597 ( 0.206 -0.064 -1.337) 1.354 5.666 ( 1.518 2.342 -1.707) 3.272 5.806 ( -2.931 -2.216 -2.402) 4.390 5.846 ( -1.578 -1.848 -2.095) 3.209 5.960 ( 5.455 -4.826 0.028) 7.284 6.037 ( -0.183 5.153 1.557) 5.386 6.095 ( 0.095 1.025 -0.003) 1.030 6.195 ( 0.669 0.407 -0.023) 0.783 6.268 ( 2.929 -2.089 -0.404) 3.620 6.415 ( -0.253 3.665 -4.626) 5.907 6.527 ( 0.696 -0.670 -2.659) 2.829 6.539 ( -2.026 -1.562 2.012) 3.255 6.617 ( 0.787 -3.897 -1.184) 4.148 6.790 ( 0.357 6.357 -0.372) 6.378 6.852 ( 0.355 3.062 -0.442) 3.114 7.005 ( -2.553 -3.398 3.765) 5.677 7.105 ( 1.204 -2.140 0.374) 2.484 7.334 ( 0.503 0.741 0.313) 0.949 7.390 ( 2.268 -0.338 0.394) 2.327 7.498 ( 2.486 -0.041 -1.952) 3.161 7.523 ( 0.870 -1.291 2.964) 3.348 7.897 ( -2.974 3.106 -0.397) 4.318 8.059 ( 1.480 -2.229 -2.677) 3.785 8.269 ( 0.063 1.173 0.543) 1.294 8.355 ( 0.955 -1.645 2.049) 2.796 11.170 ( 0.108 -0.298 -0.016) 0.317 11.215 ( 2.036 -1.818 -3.890) 4.752 11.311 ( -1.050 2.357 2.313) 3.466 11.367 ( 0.615 0.360 1.010) 1.236 11.566 ( -1.595 0.399 1.493) 2.220 11.622 ( -0.110 -1.243 0.017) 1.248 11.830 ( -0.434 0.454 0.026) 0.628 11.851 ( 0.029 -0.202 0.395) 0.445 12.313 ( -0.202 1.496 0.819) 1.718 12.371 ( -0.343 -0.351 0.225) 0.540 12.372 ( 0.329 -0.067 0.577) 0.668 12.378 ( 0.719 -0.134 -1.111) 1.330 12.566 ( 0.151 -0.359 -0.088) 0.399 12.595 ( 0.553 -0.467 -0.208) 0.753 12.597 ( -0.799 -0.000 -0.939) 1.233 12.609 ( -0.772 0.200 -0.213) 0.826 12.614 ( -0.601 -0.391 0.139) 0.730 12.642 ( -0.396 -0.756 0.711) 1.111 12.788 ( -1.070 0.531 1.005) 1.561 12.820 ( -0.490 -0.548 0.241) 0.774 12.870 ( 0.795 1.302 -0.766) 1.707 12.899 ( 1.156 -0.127 -0.326) 1.208 12.957 ( 0.054 -0.195 0.520) 0.557 12.980 ( 0.681 -0.097 0.480) 0.839 13.371 ( 0.076 0.022 -0.577) 0.582 13.373 ( 0.186 0.011 -0.533) 0.564 13.402 ( -0.009 0.590 1.341) 1.465 13.429 ( 1.109 -0.349 -0.368) 1.219 13.909 ( -1.048 1.083 -0.278) 1.533 13.982 ( 0.536 -1.554 -0.619) 1.756 14.021 ( 0.534 0.425 0.171) 0.704 14.049 ( 0.887 -0.567 0.754) 1.294 14.300 ( -0.730 0.237 -1.043) 1.295 14.309 ( -0.728 -0.002 0.161) 0.745 14.349 ( 0.073 -0.015 -0.143) 0.161 14.353 ( 0.047 -0.002 -0.055) 0.073 ======================= Grid point 102 (55/84) ======================= q-point: ( 0.33 0.25 -0.67) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( 13.601 6.410 -8.074) 17.066 1.982 ( 13.372 6.354 -14.340) 20.612 2.286 ( 3.848 -8.481 0.827) 9.350 2.429 ( 6.191 -3.820 -5.882) 9.355 2.548 ( -0.565 -1.881 -1.198) 2.301 2.585 ( 1.550 -1.674 -0.374) 2.312 2.656 ( -3.655 3.918 7.302) 9.057 2.725 ( -4.400 -0.606 5.504) 7.072 2.940 ( 6.684 0.503 5.200) 8.484 3.077 ( 3.545 0.569 -0.807) 3.680 3.143 ( -1.650 2.418 -6.860) 7.458 3.230 ( 10.930 0.190 -2.540) 11.223 3.302 ( 6.791 0.169 -2.012) 7.085 3.315 ( 5.031 -0.569 -0.787) 5.124 3.395 ( -5.843 -1.488 3.683) 7.066 3.471 ( -0.648 -1.476 5.313) 5.552 3.529 ( -3.182 -3.765 1.843) 5.262 3.613 ( 2.902 0.401 -4.158) 5.087 3.685 ( -0.904 -1.951 -1.235) 2.480 3.712 ( -1.497 -2.221 2.525) 3.681 3.916 ( -3.522 0.490 1.135) 3.732 3.957 ( -3.365 2.870 0.610) 4.465 4.061 ( -6.780 -1.232 1.226) 7.000 4.110 ( -1.780 -5.054 0.293) 5.366 4.353 ( -8.872 4.689 4.013) 10.807 4.399 ( -2.554 4.494 -0.231) 5.174 4.444 ( 2.056 2.405 -0.876) 3.284 4.538 ( -3.078 -0.620 -0.875) 3.260 4.676 ( 0.308 -2.035 -2.319) 3.101 4.735 ( 0.176 -2.575 -4.542) 5.224 4.894 ( -0.136 2.424 4.568) 5.173 5.028 ( 0.015 -5.265 0.912) 5.343 5.147 ( 0.742 5.315 3.473) 6.392 5.349 ( -4.195 6.770 -0.600) 7.987 5.398 ( -2.653 -0.762 3.391) 4.372 5.610 ( 2.201 -0.596 0.071) 2.282 5.616 ( 0.167 -1.719 -5.639) 5.898 5.712 ( -2.945 -4.458 -0.651) 5.382 5.860 ( 2.077 1.430 0.957) 2.697 5.993 ( 0.014 2.636 -2.410) 3.572 6.056 ( 2.506 -1.019 -0.660) 2.784 6.087 ( -0.779 0.294 -0.353) 0.905 6.201 ( 0.381 1.544 -0.645) 1.716 6.327 ( 1.708 -2.733 2.802) 4.271 6.365 ( 1.377 1.893 -4.339) 4.930 6.471 ( 0.212 -3.322 -5.001) 6.008 6.534 ( -1.820 -0.876 2.376) 3.119 6.621 ( 1.652 -3.451 -0.871) 3.924 6.794 ( 0.099 7.227 0.067) 7.228 6.825 ( -1.623 4.280 -1.844) 4.935 7.012 ( -2.900 -2.554 3.163) 4.994 7.133 ( 1.643 -2.274 0.292) 2.821 7.354 ( 0.411 0.842 1.796) 2.026 7.442 ( 2.527 -1.367 1.320) 3.161 7.533 ( 2.919 0.531 0.162) 2.971 7.571 ( 0.303 -1.011 2.424) 2.644 7.847 ( -1.974 2.745 -0.869) 3.491 8.022 ( 0.516 -3.377 -4.554) 5.693 8.305 ( 1.256 1.759 2.608) 3.387 8.391 ( -0.087 -1.390 2.181) 2.588 11.165 ( 0.151 -0.620 -0.750) 0.985 11.197 ( 2.072 -1.473 -3.558) 4.373 11.330 ( -1.013 3.137 2.950) 4.423 11.397 ( 0.631 1.007 1.709) 2.082 11.571 ( -1.138 -0.830 2.186) 2.601 11.624 ( 0.051 -1.916 0.526) 1.987 11.821 ( -0.450 0.938 -0.191) 1.058 11.853 ( -0.350 -0.155 0.096) 0.395 12.316 ( -0.305 1.626 0.035) 1.655 12.359 ( 0.100 0.198 -1.222) 1.242 12.376 ( -0.535 -0.215 0.849) 1.027 12.388 ( 0.851 -0.627 -0.275) 1.093 12.549 ( -0.401 -0.525 -2.051) 2.155 12.569 ( -0.803 -0.607 -1.735) 2.006 12.593 ( -0.071 -0.183 0.767) 0.791 12.604 ( 0.036 -0.202 -0.061) 0.214 12.625 ( 0.516 0.361 1.086) 1.256 12.644 ( -0.641 -0.087 0.731) 0.976 12.784 ( -1.018 0.522 1.012) 1.528 12.817 ( -0.220 -0.658 0.260) 0.741 12.875 ( 0.769 1.400 -0.258) 1.618 12.911 ( 0.781 -0.260 -0.179) 0.843 12.970 ( 0.179 -0.287 1.033) 1.087 13.000 ( 0.558 -0.220 0.807) 1.005 13.363 ( 0.141 0.032 -0.944) 0.955 13.366 ( 0.062 -0.020 -0.872) 0.874 13.418 ( -0.146 0.498 1.150) 1.262 13.442 ( 0.893 -0.220 -0.223) 0.946 13.893 ( -0.639 0.995 0.083) 1.185 13.965 ( -0.059 -1.498 -1.695) 2.263 14.056 ( 1.099 0.095 2.285) 2.538 14.079 ( 0.760 -0.557 1.616) 1.871 14.272 ( -0.449 0.451 -1.505) 1.634 14.291 ( -0.796 -0.273 -0.865) 1.207 14.349 ( 0.192 0.214 -0.401) 0.493 14.352 ( -0.181 0.091 0.100) 0.226 ======================= Grid point 103 (56/84) ======================= q-point: ( 0.44 0.25 -0.67) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( 13.604 4.475 -5.424) 15.314 2.089 ( 12.841 6.664 -1.776) 14.576 2.303 ( -5.783 2.461 -4.864) 7.947 2.361 ( -1.581 3.232 5.553) 6.617 2.533 ( -1.085 -3.340 -5.666) 6.666 2.595 ( 1.007 -4.000 -4.336) 5.984 2.636 ( 3.993 -10.141 -1.877) 11.059 2.647 ( -7.600 -2.464 1.180) 8.076 3.023 ( -2.369 -1.201 -1.580) 3.090 3.102 ( 0.597 1.839 6.316) 6.605 3.160 ( 3.732 -4.691 -3.795) 7.095 3.239 ( -3.244 -3.702 -2.862) 5.694 3.345 ( 4.223 -1.526 -0.350) 4.504 3.394 ( 2.295 -0.287 4.940) 5.454 3.508 ( 5.363 3.133 1.559) 6.404 3.520 ( 6.904 4.044 2.356) 8.341 3.591 ( 3.096 2.906 1.924) 4.662 3.612 ( 0.467 0.599 -0.518) 0.919 3.674 ( -0.191 -0.893 3.648) 3.761 3.748 ( -1.016 -0.180 2.534) 2.736 3.844 ( -8.618 -0.874 0.085) 8.663 3.925 ( -1.026 2.613 0.820) 2.924 3.975 ( -3.133 -0.884 1.418) 3.550 4.077 ( -3.316 -6.019 0.083) 6.872 4.269 ( -3.325 3.506 2.802) 5.586 4.330 ( -2.874 0.476 -2.117) 3.601 4.460 ( -0.375 3.597 0.944) 3.738 4.494 ( -1.714 1.717 -0.606) 2.501 4.610 ( -2.505 -2.574 -3.858) 5.271 4.685 ( 1.391 -1.375 -6.037) 6.346 4.932 ( -1.561 1.742 3.437) 4.157 5.033 ( -1.209 -2.001 1.419) 2.735 5.167 ( -0.577 1.020 -3.983) 4.151 5.310 ( -3.933 -3.324 -2.843) 5.882 5.367 ( 2.881 5.647 5.160) 8.173 5.563 ( -0.596 1.254 -1.014) 1.719 5.666 ( 3.680 -2.579 -2.048) 4.939 5.713 ( -0.362 -1.958 3.401) 3.941 5.894 ( 0.916 2.614 0.097) 2.772 5.971 ( 0.325 0.312 -1.074) 1.165 6.035 ( -2.174 0.693 -0.864) 2.440 6.071 ( 1.277 0.838 -3.086) 3.443 6.206 ( 0.892 2.633 0.001) 2.780 6.320 ( 0.210 1.411 -4.625) 4.840 6.374 ( -0.607 -3.996 2.259) 4.630 6.439 ( 3.337 -4.886 -3.688) 6.972 6.552 ( -0.630 -0.155 2.911) 2.983 6.648 ( 2.724 -2.396 -0.705) 3.696 6.761 ( -2.004 5.710 -1.224) 6.174 6.796 ( -0.068 6.032 -0.888) 6.097 7.000 ( -3.028 -1.324 2.741) 4.294 7.157 ( 1.972 -3.786 -1.494) 4.522 7.397 ( -0.375 1.321 4.439) 4.646 7.491 ( 1.086 -1.271 1.163) 2.037 7.584 ( 2.077 -0.282 0.961) 2.306 7.594 ( -0.001 -0.327 1.108) 1.155 7.817 ( -0.644 2.095 -0.258) 2.207 7.962 ( -0.179 -2.796 -4.875) 5.622 8.365 ( 1.415 0.657 2.759) 3.169 8.408 ( -1.090 -0.843 1.705) 2.193 11.155 ( -0.308 -0.416 -0.754) 0.915 11.187 ( 2.069 -1.477 -2.971) 3.910 11.358 ( -0.663 3.098 3.271) 4.554 11.427 ( 0.530 1.849 1.230) 2.284 11.582 ( -1.374 -2.072 2.482) 3.513 11.638 ( 0.496 -2.309 0.664) 2.453 11.815 ( -0.110 1.065 0.021) 1.071 11.844 ( -0.455 0.259 -0.374) 0.643 12.303 ( -0.945 1.914 -0.299) 2.156 12.343 ( 0.057 0.713 -1.499) 1.661 12.380 ( -0.428 -0.494 0.773) 1.012 12.397 ( 0.685 -0.893 -0.267) 1.157 12.517 ( -0.294 -0.569 -1.554) 1.680 12.532 ( -0.899 -0.850 -1.587) 2.013 12.592 ( -0.413 0.571 0.446) 0.834 12.624 ( 1.072 -0.491 0.427) 1.254 12.637 ( -0.240 0.407 0.181) 0.506 12.649 ( 0.219 -0.063 0.803) 0.835 12.782 ( -0.973 0.711 1.075) 1.615 12.820 ( 0.235 -0.784 0.171) 0.836 12.886 ( 0.657 1.432 0.139) 1.582 12.917 ( 0.324 0.007 -0.318) 0.454 12.990 ( 0.134 -0.616 1.523) 1.648 13.016 ( 0.018 -0.476 0.861) 0.984 13.350 ( -0.172 -0.082 -0.995) 1.014 13.353 ( 0.065 -0.124 -1.026) 1.035 13.427 ( -0.338 0.529 0.882) 1.083 13.450 ( 0.536 -0.140 -0.264) 0.614 13.891 ( -0.036 0.625 0.392) 0.739 13.943 ( 0.038 -1.238 -1.454) 1.910 14.105 ( 0.540 -0.104 2.671) 2.727 14.118 ( 0.991 -0.154 2.290) 2.499 14.246 ( 0.029 0.463 -1.906) 1.962 14.262 ( -0.753 -0.170 -1.573) 1.752 14.346 ( 0.091 0.066 -0.313) 0.333 14.349 ( -0.160 0.022 -0.140) 0.214 ======================= Grid point 104 (57/84) ======================= q-point: (-0.44 0.25 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( -17.972 5.193 -1.833) 18.797 2.083 ( -18.424 8.150 -0.615) 20.155 2.292 ( 12.746 4.679 -2.226) 13.759 2.394 ( 1.748 -5.287 -8.197) 9.909 2.474 ( -6.383 -6.823 -0.270) 9.348 2.533 ( 0.360 -3.319 3.524) 4.854 2.658 ( 7.198 -3.618 3.837) 8.923 2.705 ( 8.224 -3.754 -4.549) 10.120 2.971 ( -4.815 -2.359 2.376) 5.865 3.115 ( -1.857 -1.856 -3.881) 4.686 3.134 ( 1.080 -3.421 -0.746) 3.664 3.207 ( -1.616 -1.935 -1.963) 3.195 3.367 ( -17.411 3.937 -1.490) 17.912 3.415 ( -0.492 3.705 1.544) 4.044 3.418 ( -2.779 3.343 0.109) 4.349 3.584 ( -4.060 1.156 3.431) 5.440 3.654 ( 4.146 3.090 0.490) 5.194 3.699 ( 0.344 0.417 1.522) 1.615 3.754 ( 4.423 2.522 2.470) 5.659 3.776 ( 4.044 -1.705 6.945) 8.216 3.786 ( 1.228 0.213 1.615) 2.040 3.905 ( -0.692 1.821 -0.530) 2.019 4.003 ( 1.229 -6.671 1.452) 6.937 4.076 ( -0.633 -6.975 1.533) 7.170 4.298 ( 3.109 2.192 -0.512) 3.839 4.330 ( 5.886 1.723 -1.648) 6.351 4.425 ( -2.790 3.076 0.634) 4.201 4.495 ( 1.262 -0.065 2.032) 2.392 4.529 ( -1.651 0.429 -2.959) 3.416 4.618 ( 1.026 -2.303 -5.079) 5.670 4.964 ( 0.575 0.928 3.577) 3.740 5.039 ( -0.769 1.627 2.601) 3.163 5.117 ( 1.588 0.981 -3.971) 4.388 5.197 ( -0.948 -2.199 -4.727) 5.299 5.506 ( 0.611 -0.110 3.003) 3.067 5.583 ( 2.889 -1.729 3.867) 5.127 5.670 ( 1.329 -0.925 -2.977) 3.389 5.705 ( -1.446 -1.079 -3.249) 3.716 5.898 ( 0.702 3.638 0.748) 3.780 5.974 ( -1.048 3.747 2.626) 4.694 6.010 ( -0.186 -0.035 -2.174) 2.182 6.046 ( -0.392 2.428 -1.812) 3.055 6.224 ( 1.327 1.053 -0.116) 1.698 6.269 ( 1.411 2.879 -3.462) 4.719 6.366 ( -1.851 -4.493 0.038) 4.859 6.466 ( 4.557 -5.219 -2.696) 7.434 6.570 ( -1.489 0.296 2.055) 2.555 6.672 ( 1.665 -2.230 -1.272) 3.060 6.748 ( 0.935 5.825 0.331) 5.909 6.784 ( 0.698 5.223 -1.082) 5.379 6.997 ( -3.162 -1.141 4.211) 5.389 7.147 ( 0.537 -4.399 -3.126) 5.424 7.447 ( -1.149 1.060 4.176) 4.459 7.506 ( -0.086 -0.622 0.232) 0.669 7.592 ( -0.838 0.012 0.475) 0.964 7.631 ( 1.484 -1.462 0.749) 2.213 7.826 ( 1.100 1.071 1.158) 1.923 7.889 ( -0.555 -1.177 -4.760) 4.934 8.399 ( -2.118 -0.060 0.886) 2.296 8.418 ( 1.115 -0.696 1.882) 2.296 11.136 ( -0.933 0.041 -0.504) 1.062 11.182 ( 1.527 -1.594 -2.211) 3.124 11.391 ( -0.502 2.152 2.672) 3.468 11.446 ( 0.876 2.574 0.078) 2.720 11.594 ( -1.329 -2.541 2.629) 3.890 11.649 ( 0.284 -2.390 -0.078) 2.408 11.816 ( -0.183 0.932 0.289) 0.993 11.832 ( -0.133 0.712 -0.496) 0.878 12.287 ( -0.917 1.922 0.475) 2.182 12.322 ( -0.104 1.382 -1.257) 1.871 12.381 ( -0.588 -0.908 0.528) 1.204 12.403 ( 0.635 -0.887 -0.337) 1.142 12.501 ( -0.371 -0.793 -0.841) 1.214 12.506 ( 0.319 -0.916 -0.595) 1.138 12.595 ( -0.338 0.942 0.801) 1.282 12.622 ( -0.323 0.733 -0.615) 1.010 12.650 ( 0.456 -0.371 0.360) 0.690 12.659 ( 0.408 -0.786 0.032) 0.887 12.781 ( -1.051 1.000 1.138) 1.844 12.828 ( 0.612 -0.743 -0.140) 0.973 12.897 ( 0.269 1.313 0.173) 1.351 12.915 ( 0.242 0.291 -0.469) 0.603 13.010 ( -0.225 -0.799 1.427) 1.651 13.020 ( -0.706 -0.690 0.474) 1.095 13.333 ( -0.543 -0.039 -0.584) 0.798 13.342 ( 0.080 -0.392 -0.758) 0.858 13.432 ( -0.455 0.653 0.694) 1.056 13.454 ( 0.423 -0.145 -0.290) 0.533 13.901 ( 0.424 0.145 0.511) 0.680 13.928 ( 0.357 -0.852 -1.247) 1.552 14.142 ( -0.200 0.614 2.554) 2.635 14.168 ( 0.850 -0.294 2.599) 2.750 14.222 ( 0.297 0.036 -2.421) 2.439 14.224 ( -0.514 0.053 -2.162) 2.223 14.343 ( -0.179 0.000 -0.156) 0.237 14.347 ( 0.423 -0.165 -0.155) 0.480 ======================= Grid point 105 (58/84) ======================= q-point: (-0.33 0.25 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( -25.375 6.902 1.942) 26.369 1.716 ( -24.877 9.495 -0.231) 26.629 2.252 ( -10.350 -10.642 0.009) 14.845 2.311 ( -6.470 -17.304 -3.103) 18.732 2.440 ( 1.856 8.080 1.983) 8.524 2.639 ( 6.033 2.439 -1.237) 6.623 2.693 ( -14.505 3.001 -3.008) 15.115 2.792 ( -8.877 3.235 2.624) 9.806 2.859 ( 7.522 -1.904 1.680) 7.939 2.978 ( 0.883 0.880 2.337) 2.649 3.092 ( -1.481 0.512 -0.048) 1.568 3.187 ( -0.047 -1.749 -2.083) 2.720 3.278 ( 1.767 1.064 -3.124) 3.743 3.347 ( -6.436 1.019 -1.139) 6.615 3.412 ( -1.995 1.490 1.380) 2.847 3.530 ( -2.942 -6.436 1.164) 7.172 3.664 ( -0.093 1.773 -0.586) 1.870 3.743 ( 0.038 -0.271 -1.729) 1.750 3.841 ( 1.824 1.900 3.749) 4.581 3.850 ( 2.817 1.429 1.376) 3.446 3.861 ( 2.102 0.708 -3.368) 4.033 3.940 ( 1.930 -2.304 4.573) 5.473 4.020 ( 2.150 -6.386 0.907) 6.798 4.098 ( 0.997 -3.860 1.315) 4.198 4.336 ( 2.208 1.811 2.140) 3.569 4.383 ( 3.498 -0.943 -3.764) 5.224 4.421 ( -2.951 1.539 -1.724) 3.748 4.506 ( 3.857 -0.198 3.370) 5.126 4.545 ( 1.889 -0.757 -1.764) 2.694 4.657 ( 6.755 -2.509 1.366) 7.334 5.036 ( 1.985 5.100 0.812) 5.532 5.092 ( 3.104 2.898 3.024) 5.213 5.126 ( 1.695 1.039 3.956) 4.427 5.165 ( 2.369 -2.166 -2.938) 4.351 5.495 ( -1.984 -1.189 -2.684) 3.543 5.565 ( -2.812 -0.834 -1.872) 3.480 5.636 ( 1.313 1.169 -3.002) 3.479 5.757 ( 3.194 -3.006 2.778) 5.192 5.915 ( -1.022 1.644 -0.088) 1.938 5.971 ( 0.119 0.475 -1.754) 1.821 5.984 ( -0.656 5.551 0.024) 5.589 6.015 ( -0.857 3.766 1.248) 4.059 6.229 ( 1.263 1.413 -1.799) 2.613 6.294 ( 3.149 2.099 -0.247) 3.793 6.338 ( -1.199 -4.117 0.134) 4.291 6.476 ( 0.413 -2.027 -2.658) 3.368 6.580 ( 0.642 -1.642 0.695) 1.895 6.670 ( 0.694 -3.484 -1.470) 3.845 6.774 ( 2.344 6.430 -0.767) 6.887 6.800 ( 2.065 3.564 -0.043) 4.119 7.011 ( -2.800 -2.118 5.129) 6.215 7.104 ( -0.335 -4.192 -2.584) 4.936 7.460 ( -1.882 0.176 1.315) 2.302 7.499 ( -0.845 -1.058 -0.723) 1.536 7.576 ( -0.926 1.113 -0.538) 1.545 7.645 ( 0.239 -1.208 -0.936) 1.547 7.829 ( -0.327 0.701 -2.356) 2.480 7.879 ( 2.223 -0.875 1.994) 3.112 8.361 ( -3.184 1.115 -0.023) 3.373 8.450 ( 0.765 -1.829 0.517) 2.049 11.114 ( -1.301 0.438 0.052) 1.373 11.177 ( 1.027 -1.913 -1.438) 2.604 11.404 ( -0.679 2.025 0.678) 2.241 11.459 ( 1.064 2.113 -0.787) 2.493 11.607 ( -1.080 -2.348 2.002) 3.269 11.644 ( -0.118 -1.988 -0.841) 2.161 11.811 ( -0.528 1.277 0.051) 1.382 11.833 ( 0.344 0.378 0.391) 0.643 12.288 ( -0.676 1.468 1.469) 2.184 12.312 ( 0.115 1.728 -0.268) 1.753 12.375 ( -0.807 -1.041 0.328) 1.358 12.407 ( 0.610 -0.797 -0.535) 1.137 12.493 ( -0.008 -0.543 0.307) 0.624 12.515 ( 0.896 -0.744 0.171) 1.177 12.602 ( -0.408 0.742 0.813) 1.174 12.609 ( -0.167 0.332 -0.385) 0.535 12.647 ( -0.283 -0.295 -0.700) 0.811 12.667 ( 0.503 -0.755 -0.188) 0.927 12.779 ( -1.079 1.191 1.130) 1.964 12.834 ( 0.624 -0.597 -0.455) 0.976 12.895 ( -0.219 0.654 -0.382) 0.788 12.916 ( 0.438 0.626 -0.408) 0.866 13.007 ( -1.135 -0.619 -0.065) 1.295 13.017 ( -0.772 -0.724 0.599) 1.216 13.321 ( -0.531 0.071 0.297) 0.612 13.337 ( -0.009 -0.579 0.009) 0.579 13.431 ( -0.514 0.773 0.421) 1.019 13.456 ( 0.437 -0.221 -0.428) 0.650 13.914 ( 0.513 -0.193 0.069) 0.552 13.923 ( 0.734 -0.261 -0.604) 0.986 14.160 ( -1.004 0.381 0.199) 1.092 14.176 ( -0.510 -0.227 -1.971) 2.049 14.200 ( 0.451 0.318 -0.280) 0.618 14.222 ( 0.895 -0.455 1.314) 1.653 14.340 ( -0.015 0.271 -0.068) 0.279 14.356 ( 0.655 -0.288 -0.051) 0.718 ======================= Grid point 106 (59/84) ======================= q-point: (-0.22 0.25 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( -24.234 10.343 10.732) 28.451 1.327 ( -24.902 14.340 5.764) 29.308 2.104 ( -9.892 -13.308 4.150) 17.093 2.167 ( -12.302 -15.076 2.051) 19.566 2.264 ( -24.973 17.672 15.808) 34.436 2.581 ( 3.921 1.156 0.566) 4.127 2.700 ( 0.946 -2.900 -0.492) 3.090 2.863 ( 8.516 0.496 -1.729) 8.704 2.926 ( 1.456 -0.231 -2.681) 3.059 3.019 ( -0.745 5.207 -1.919) 5.599 3.076 ( 0.529 3.290 -3.868) 5.106 3.128 ( -7.396 -2.107 1.562) 7.848 3.178 ( -1.584 -0.437 -0.600) 1.750 3.301 ( 1.152 -0.182 0.408) 1.236 3.426 ( -3.040 -2.322 4.305) 5.759 3.491 ( -0.452 -7.765 -2.314) 8.115 3.632 ( 0.205 -2.077 -4.022) 4.531 3.715 ( 2.124 -4.354 -4.191) 6.406 3.786 ( 0.849 1.942 -5.295) 5.704 3.879 ( 2.916 -0.292 -2.403) 3.789 3.977 ( 4.347 2.262 2.076) 5.322 4.012 ( 0.790 -3.769 4.544) 5.956 4.094 ( 2.867 0.918 1.345) 3.297 4.163 ( 2.724 -1.845 4.018) 5.193 4.282 ( -7.537 1.618 -0.798) 7.750 4.399 ( -0.736 1.162 0.003) 1.375 4.437 ( 3.335 -2.002 1.605) 4.208 4.499 ( 0.058 -4.793 -0.911) 4.879 4.660 ( 5.642 0.590 1.971) 6.005 4.765 ( 5.240 -1.416 -0.117) 5.429 5.052 ( 1.867 8.455 -2.103) 8.910 5.130 ( 1.499 -1.571 -4.400) 4.907 5.169 ( 0.262 2.854 0.038) 2.866 5.285 ( 3.150 -1.202 10.127) 10.673 5.444 ( 3.141 4.297 -1.849) 5.634 5.528 ( -3.203 -1.951 -0.138) 3.754 5.613 ( 0.132 0.501 -1.236) 1.341 5.783 ( 0.417 -3.478 -1.577) 3.842 5.895 ( -0.307 3.529 -0.588) 3.591 5.931 ( -0.671 0.321 -2.652) 2.754 5.993 ( -0.066 3.268 1.680) 3.675 6.061 ( 1.432 3.098 2.920) 4.491 6.231 ( 1.522 2.238 -0.954) 2.870 6.322 ( 1.404 0.431 -1.564) 2.145 6.340 ( -0.344 -3.484 1.897) 3.982 6.422 ( -1.344 -0.386 -2.870) 3.193 6.584 ( -0.329 -2.838 -0.610) 2.921 6.664 ( 1.981 -2.723 -2.667) 4.296 6.811 ( 1.781 4.436 1.438) 4.992 6.835 ( 3.058 3.048 -1.226) 4.488 7.040 ( -1.710 -2.851 4.183) 5.343 7.086 ( 0.381 -3.869 -0.093) 3.889 7.426 ( -1.702 -0.988 -1.983) 2.794 7.451 ( -1.891 -1.562 -2.393) 3.427 7.549 ( -0.684 2.628 -2.229) 3.513 7.623 ( -0.311 -0.175 -1.614) 1.653 7.825 ( 0.640 1.405 1.360) 2.058 7.927 ( 0.535 -2.298 1.254) 2.672 8.304 ( -3.334 2.613 -0.121) 4.238 8.453 ( 0.199 -2.514 -1.240) 2.810 11.100 ( -1.093 0.682 0.909) 1.577 11.178 ( 0.910 -2.316 -0.723) 2.592 11.394 ( -0.410 2.181 -0.693) 2.324 11.451 ( 0.354 1.182 -2.036) 2.381 11.612 ( -0.700 -1.558 0.800) 1.885 11.628 ( -0.301 -1.271 -0.696) 1.480 11.811 ( -0.081 1.357 0.795) 1.575 11.846 ( 0.231 -0.116 0.616) 0.668 12.300 ( -0.741 0.921 1.839) 2.186 12.316 ( 0.180 1.668 0.423) 1.730 12.365 ( -0.857 -0.828 0.239) 1.215 12.410 ( 0.737 -0.795 -0.637) 1.258 12.508 ( 0.420 -0.131 1.304) 1.377 12.533 ( 0.436 -0.193 0.706) 0.852 12.597 ( -0.422 -0.012 0.038) 0.424 12.612 ( 0.268 -0.517 -0.001) 0.583 12.633 ( -0.253 0.297 -0.269) 0.474 12.670 ( 0.483 -0.726 -0.462) 0.987 12.778 ( -0.987 1.215 1.250) 2.003 12.836 ( 0.420 -0.663 -0.446) 0.903 12.885 ( -0.050 0.395 -0.757) 0.855 12.913 ( 0.165 0.541 -0.839) 1.012 12.986 ( -0.974 -0.373 -0.374) 1.107 13.004 ( -1.074 -0.502 -0.193) 1.201 13.323 ( -0.442 0.156 1.048) 1.148 13.341 ( -0.091 -0.571 0.605) 0.837 13.426 ( -0.572 0.808 0.069) 0.992 13.455 ( 0.363 -0.321 -0.793) 0.929 13.919 ( 0.870 0.143 -0.638) 1.088 13.934 ( 0.452 -0.210 0.489) 0.698 14.113 ( -1.043 0.313 -2.779) 2.985 14.146 ( 0.011 -1.170 -2.864) 3.094 14.219 ( 0.161 1.013 2.165) 2.396 14.257 ( 0.496 -0.567 2.012) 2.149 14.339 ( -0.003 0.543 0.022) 0.543 14.364 ( 0.582 -0.344 -0.267) 0.727 ======================= Grid point 107 (60/84) ======================= q-point: (-0.11 0.25 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( -12.389 12.487 22.498) 28.558 1.229 ( -7.088 16.166 22.720) 28.771 2.048 ( -6.341 -16.373 5.944) 18.537 2.087 ( -10.974 4.816 18.774) 22.273 2.219 ( -9.612 0.565 16.373) 18.994 2.622 ( -0.709 -0.998 -3.412) 3.625 2.675 ( 2.289 -2.741 -5.233) 6.336 2.830 ( -3.734 3.985 -6.320) 8.353 2.889 ( -2.963 2.446 -5.964) 7.094 2.929 ( 1.921 3.552 -7.457) 8.481 3.035 ( 1.855 -0.003 1.124) 2.169 3.098 ( 0.806 5.678 -0.899) 5.805 3.213 ( 1.781 -0.835 2.088) 2.869 3.325 ( -1.592 -3.003 0.510) 3.437 3.428 ( -4.520 -5.884 9.798) 12.290 3.516 ( 3.489 -7.857 0.958) 8.650 3.599 ( 1.330 -6.037 -3.558) 7.133 3.674 ( 1.918 -1.912 -5.612) 6.232 3.769 ( 3.503 -1.658 -3.638) 5.315 3.875 ( 2.065 -2.324 -4.510) 5.477 4.011 ( -1.031 -0.173 0.472) 1.147 4.074 ( -2.478 -1.838 3.884) 4.961 4.118 ( 1.052 5.578 -2.336) 6.138 4.156 ( -6.168 3.572 0.142) 7.129 4.276 ( 4.427 1.230 2.749) 5.354 4.351 ( -3.525 -3.695 -0.364) 5.119 4.506 ( 1.511 -3.226 5.192) 6.297 4.539 ( 2.832 0.778 1.069) 3.126 4.725 ( 0.807 1.887 -0.561) 2.128 4.829 ( 2.661 -1.475 -0.556) 3.093 5.022 ( 2.260 5.249 -6.583) 8.717 5.076 ( 0.818 -1.523 -5.063) 5.350 5.171 ( -0.726 3.909 1.350) 4.199 5.371 ( -5.023 -0.228 -1.432) 5.228 5.486 ( 2.699 0.603 4.680) 5.436 5.553 ( 3.185 0.687 3.875) 5.063 5.601 ( 0.633 1.448 -0.088) 1.583 5.797 ( 2.280 -3.519 0.839) 4.276 5.859 ( -0.556 1.559 -3.269) 3.664 5.907 ( -0.793 0.442 0.393) 0.989 6.014 ( -0.071 4.065 1.208) 4.241 6.092 ( -0.664 3.532 -0.272) 3.604 6.247 ( 2.222 0.938 -1.964) 3.111 6.310 ( 0.275 -0.492 -1.550) 1.650 6.330 ( -0.370 -0.927 -0.705) 1.222 6.431 ( 1.501 -1.375 3.342) 3.913 6.568 ( -0.989 -2.854 0.120) 3.023 6.657 ( 1.873 -1.884 -3.288) 4.227 6.845 ( 0.878 2.830 -0.176) 2.969 6.855 ( 1.610 2.970 -2.065) 3.959 7.058 ( -1.978 -3.227 2.619) 4.603 7.098 ( 0.446 -3.697 -0.019) 3.724 7.362 ( -0.767 -1.055 -3.767) 3.987 7.404 ( -0.517 -1.980 -1.106) 2.327 7.491 ( -1.407 3.296 -3.377) 4.924 7.591 ( -0.655 -0.600 -2.349) 2.511 7.880 ( 1.965 1.554 3.285) 4.132 7.944 ( -0.761 -0.476 2.584) 2.735 8.266 ( -1.441 2.557 0.423) 2.965 8.422 ( -0.604 -2.697 -2.845) 3.967 11.106 ( -0.437 0.692 1.882) 2.052 11.189 ( 1.248 -2.493 -0.279) 2.802 11.373 ( -0.480 1.622 -1.384) 2.186 11.419 ( -0.109 0.719 -2.911) 3.000 11.610 ( 0.015 -0.595 0.028) 0.596 11.618 ( -0.441 -0.601 -0.066) 0.748 11.828 ( 0.526 0.479 0.861) 1.117 11.851 ( -0.297 -0.275 0.143) 0.430 12.310 ( -1.082 0.718 1.765) 2.191 12.325 ( 0.075 1.485 0.500) 1.569 12.356 ( -0.562 -0.456 0.212) 0.754 12.413 ( 0.700 -0.920 -0.824) 1.420 12.534 ( 0.211 0.055 1.487) 1.503 12.545 ( -0.350 0.094 1.140) 1.197 12.594 ( -0.041 -0.157 0.165) 0.231 12.617 ( 0.376 -0.641 0.050) 0.745 12.636 ( 0.577 -0.303 0.048) 0.653 12.670 ( 0.320 -0.847 -0.624) 1.100 12.781 ( -0.844 1.047 1.428) 1.961 12.835 ( -0.023 -0.805 -0.210) 0.832 12.874 ( 0.350 0.602 -1.080) 1.285 12.901 ( 0.092 0.595 -1.215) 1.356 12.969 ( -0.551 -0.245 -0.320) 0.683 12.982 ( -0.900 -0.341 -0.485) 1.078 13.333 ( -0.367 0.181 1.408) 1.466 13.349 ( -0.071 -0.439 0.834) 0.945 13.415 ( -0.596 0.778 -0.258) 1.013 13.446 ( 0.259 -0.397 -1.242) 1.330 13.928 ( 0.996 0.385 -0.355) 1.125 13.947 ( 0.045 -0.263 0.740) 0.786 14.064 ( -0.407 0.484 -2.689) 2.763 14.104 ( -0.123 -0.969 -3.035) 3.189 14.255 ( 0.287 0.763 2.419) 2.553 14.291 ( 0.459 -0.613 1.927) 2.073 14.340 ( -0.007 0.555 0.131) 0.570 14.366 ( 0.337 -0.372 -0.528) 0.728 ======================= Grid point 108 (61/84) ======================= q-point: ( 0.00 -0.50 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( 0.643 -17.422 15.093) 23.060 1.720 ( 0.643 17.422 15.093) 23.060 1.924 ( 4.792 -16.137 19.424) 25.703 1.924 ( 4.792 16.137 19.424) 25.703 2.461 ( 0.394 -3.356 -13.308) 13.730 2.461 ( 0.394 3.356 -13.308) 13.730 2.696 ( -2.166 -1.404 -7.405) 7.842 2.696 ( -2.166 1.404 -7.405) 7.842 2.966 ( -1.408 -11.441 3.419) 12.024 2.966 ( -1.408 11.441 3.419) 12.024 3.065 ( -2.126 -7.148 3.298) 8.155 3.065 ( -2.126 7.148 3.298) 8.155 3.242 ( 3.529 -2.871 3.805) 5.931 3.242 ( 3.529 2.871 3.805) 5.931 3.427 ( -1.852 -2.419 3.905) 4.952 3.427 ( -1.852 2.419 3.905) 4.952 3.574 ( 1.952 -3.841 -0.942) 4.411 3.574 ( 1.952 3.841 -0.942) 4.411 3.780 ( 1.293 -2.568 -3.853) 4.807 3.780 ( 1.293 2.568 -3.853) 4.807 3.993 ( -6.894 -1.317 2.675) 7.511 3.993 ( -6.894 1.317 2.675) 7.511 4.145 ( -2.090 -1.541 -0.260) 2.610 4.145 ( -2.090 1.541 -0.260) 2.610 4.350 ( 4.101 -4.175 -0.388) 5.865 4.350 ( 4.101 4.175 -0.388) 5.865 4.580 ( -1.127 -1.141 2.187) 2.712 4.580 ( -1.127 1.141 2.187) 2.712 4.741 ( -1.958 -2.316 -1.252) 3.281 4.741 ( -1.958 2.316 -1.252) 3.281 5.010 ( 2.731 -0.094 -7.145) 7.650 5.010 ( 2.731 0.094 -7.145) 7.650 5.265 ( -2.898 -2.056 1.539) 3.872 5.265 ( -2.898 2.056 1.539) 3.872 5.581 ( 1.308 -2.408 3.636) 4.553 5.581 ( 1.308 2.408 3.636) 4.553 5.734 ( 0.747 -4.163 -1.588) 4.518 5.734 ( 0.747 4.163 -1.588) 4.518 5.888 ( 2.176 -2.469 -0.873) 3.405 5.888 ( 2.176 2.469 -0.873) 3.405 6.087 ( -1.096 -1.137 -0.880) 1.808 6.087 ( -1.096 1.137 -0.880) 1.808 6.249 ( 1.112 -1.710 -3.471) 4.026 6.249 ( 1.112 1.710 -3.471) 4.026 6.434 ( 1.984 -3.405 3.738) 5.432 6.434 ( 1.984 3.405 3.738) 5.432 6.568 ( -0.113 -2.576 -0.841) 2.712 6.568 ( -0.113 2.576 -0.841) 2.712 6.930 ( -1.498 -3.742 0.312) 4.042 6.930 ( -1.498 3.742 0.312) 4.042 6.975 ( 0.477 -5.396 -2.266) 5.872 6.975 ( 0.477 5.396 -2.266) 5.872 7.346 ( -0.127 -2.219 0.210) 2.232 7.346 ( -0.127 2.219 0.210) 2.232 7.502 ( -0.414 -2.721 -2.766) 3.902 7.502 ( -0.414 2.721 -2.766) 3.902 7.986 ( 1.122 -0.310 2.947) 3.168 7.986 ( 1.122 0.310 2.947) 3.168 8.302 ( -0.835 -2.603 -1.713) 3.226 8.302 ( -0.835 2.603 -1.713) 3.226 11.158 ( 1.105 -1.906 0.568) 2.275 11.158 ( 1.105 1.906 0.568) 2.275 11.371 ( -1.073 -1.120 -1.500) 2.158 11.371 ( -1.073 1.120 -1.500) 2.158 11.609 ( 0.028 -0.407 -0.136) 0.430 11.609 ( 0.028 0.407 -0.136) 0.430 11.840 ( -0.275 -0.109 0.120) 0.320 11.840 ( -0.275 0.109 0.120) 0.320 12.334 ( -0.776 -0.995 1.283) 1.800 12.334 ( -0.776 0.995 1.283) 1.800 12.377 ( 0.402 -1.773 -0.523) 1.892 12.377 ( 0.402 1.773 -0.523) 1.892 12.554 ( -0.050 -0.454 1.046) 1.141 12.554 ( -0.050 0.454 1.046) 1.141 12.611 ( 0.408 -0.655 0.407) 0.872 12.611 ( 0.408 0.655 0.407) 0.872 12.638 ( -0.142 -0.780 -0.659) 1.031 12.638 ( -0.142 0.780 -0.659) 1.031 12.810 ( -0.919 -1.121 1.106) 1.823 12.810 ( -0.919 1.121 1.106) 1.823 12.889 ( 0.956 -0.533 -1.427) 1.798 12.889 ( 0.956 0.533 -1.427) 1.798 12.959 ( -0.354 -0.117 -0.191) 0.419 12.959 ( -0.354 0.117 -0.191) 0.419 13.354 ( -0.008 -0.299 1.215) 1.252 13.354 ( -0.008 0.299 1.215) 1.252 13.419 ( -0.070 -0.762 -0.960) 1.228 13.419 ( -0.070 0.762 -0.960) 1.228 13.948 ( 0.238 -0.263 0.296) 0.462 13.948 ( 0.238 0.263 0.296) 0.462 14.046 ( 0.269 -0.888 -2.386) 2.560 14.046 ( 0.269 0.888 -2.386) 2.560 14.303 ( 0.025 -0.745 1.664) 1.823 14.303 ( 0.025 0.745 1.664) 1.823 14.352 ( 0.022 -0.489 -0.276) 0.562 14.352 ( 0.022 0.489 -0.276) 0.562 ======================= Grid point 110 (62/84) ======================= q-point: ( 0.11 -0.50 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( 3.262 -9.694 12.025) 15.787 1.957 ( 3.262 9.694 12.025) 15.787 2.258 ( 5.573 -7.990 12.974) 16.224 2.258 ( 5.573 7.990 12.974) 16.224 2.305 ( 5.109 -3.208 -13.423) 14.716 2.305 ( 5.109 3.208 -13.423) 14.716 2.540 ( 2.214 -5.924 -10.934) 12.631 2.540 ( 2.214 5.924 -10.934) 12.631 2.966 ( -1.998 -4.503 2.491) 5.521 2.966 ( -1.998 4.503 2.491) 5.521 3.116 ( 2.291 -1.087 2.227) 3.375 3.116 ( 2.291 1.087 2.227) 3.375 3.343 ( -1.936 -1.366 2.123) 3.182 3.343 ( -1.936 1.366 2.123) 3.182 3.371 ( 0.493 -3.424 -2.771) 4.432 3.371 ( 0.493 3.424 -2.771) 4.432 3.666 ( 0.488 -2.604 5.357) 5.977 3.666 ( 0.488 2.604 5.357) 5.977 3.724 ( -1.576 -1.927 -3.296) 4.131 3.724 ( -1.576 1.927 -3.296) 4.131 3.933 ( -5.271 -3.612 5.561) 8.471 3.933 ( -5.271 3.612 5.561) 8.471 4.152 ( 1.823 -3.470 0.187) 3.924 4.152 ( 1.823 3.470 0.187) 3.924 4.409 ( -0.773 -3.556 4.459) 5.755 4.409 ( -0.773 3.556 4.459) 5.755 4.495 ( -1.942 -1.742 -5.406) 6.002 4.495 ( -1.942 1.742 -5.406) 6.002 4.734 ( -0.743 -0.351 1.016) 1.307 4.734 ( -0.743 0.351 1.016) 1.307 4.966 ( 1.421 -1.386 -4.696) 5.098 4.966 ( 1.421 1.386 -4.696) 5.098 5.251 ( -2.284 -1.442 2.402) 3.615 5.251 ( -2.284 1.442 2.402) 3.615 5.605 ( -2.419 -1.523 -0.216) 2.867 5.605 ( -2.419 1.523 -0.216) 2.867 5.732 ( 2.879 -4.294 -0.376) 5.184 5.732 ( 2.879 4.294 -0.376) 5.184 5.887 ( -0.607 -1.669 -2.467) 3.040 5.887 ( -0.607 1.669 -2.467) 3.040 6.086 ( 0.378 -1.585 1.542) 2.244 6.086 ( 0.378 1.585 1.542) 2.244 6.218 ( 0.969 -1.932 -3.060) 3.746 6.218 ( 0.969 1.932 -3.060) 3.746 6.505 ( 1.079 -1.194 2.368) 2.863 6.505 ( 1.079 1.194 2.368) 2.863 6.547 ( -0.002 -1.462 -2.153) 2.603 6.547 ( -0.002 1.462 -2.153) 2.603 6.912 ( -1.293 -4.490 0.995) 4.777 6.912 ( -1.293 4.490 0.995) 4.777 6.964 ( 1.661 -7.351 -1.599) 7.704 6.964 ( 1.661 7.351 -1.599) 7.704 7.356 ( -0.325 -1.834 1.240) 2.238 7.356 ( -0.325 1.834 1.240) 2.238 7.479 ( 1.304 -1.434 -1.562) 2.490 7.479 ( 1.304 1.434 -1.562) 2.490 8.014 ( -0.681 -2.523 0.456) 2.653 8.014 ( -0.681 2.523 0.456) 2.653 8.285 ( 0.446 -0.497 -0.153) 0.685 8.285 ( 0.446 0.497 -0.153) 0.685 11.179 ( 1.314 -1.653 -0.687) 2.221 11.179 ( 1.314 1.653 -0.687) 2.221 11.346 ( -0.806 -1.240 0.278) 1.505 11.346 ( -0.806 1.240 0.278) 1.505 11.602 ( -0.648 -1.113 -0.122) 1.294 11.602 ( -0.648 1.113 -0.122) 1.294 11.840 ( -0.067 -0.288 0.234) 0.378 11.840 ( -0.067 0.288 0.234) 0.378 12.340 ( -0.504 -1.412 1.227) 1.937 12.340 ( -0.504 1.412 1.227) 1.937 12.376 ( 0.457 -0.982 -0.662) 1.269 12.376 ( 0.457 0.982 -0.662) 1.269 12.568 ( 0.114 -0.633 0.902) 1.108 12.568 ( 0.114 0.633 0.902) 1.108 12.614 ( -0.112 -0.314 -0.403) 0.523 12.614 ( -0.112 0.314 -0.403) 0.523 12.627 ( -0.360 -0.157 -0.283) 0.484 12.627 ( -0.360 0.157 -0.283) 0.484 12.809 ( -1.041 -0.938 1.053) 1.753 12.809 ( -1.041 0.938 1.053) 1.753 12.887 ( 0.994 -0.260 -1.211) 1.588 12.887 ( 0.994 0.260 -1.211) 1.588 12.958 ( 0.227 -0.460 0.161) 0.537 12.958 ( 0.227 0.460 0.161) 0.537 13.369 ( 0.142 -0.111 0.691) 0.714 13.369 ( 0.142 0.111 0.691) 0.714 13.409 ( 0.318 -0.755 -0.526) 0.973 13.409 ( 0.318 0.755 -0.526) 0.973 13.952 ( -0.241 -0.889 0.087) 0.926 13.952 ( -0.241 0.889 0.087) 0.926 14.028 ( 0.626 -0.358 -1.301) 1.487 14.028 ( 0.626 0.358 -1.301) 1.487 14.316 ( -0.451 -0.293 0.646) 0.841 14.316 ( -0.451 0.293 0.646) 0.841 14.349 ( 0.068 -0.187 -0.136) 0.241 14.349 ( 0.068 0.187 -0.136) 0.241 ======================= Grid point 112 (63/84) ======================= q-point: ( 0.22 -0.50 -0.67) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( 3.268 -6.602 -4.729) 8.754 2.041 ( 3.268 6.602 -4.729) 8.754 2.208 ( 8.976 -7.850 -16.840) 20.635 2.208 ( 8.976 7.850 -16.840) 20.635 2.456 ( 7.785 -9.191 4.962) 13.027 2.456 ( 7.785 9.191 4.962) 13.027 2.639 ( 3.142 -6.211 11.057) 13.065 2.639 ( 3.142 6.211 11.057) 13.065 2.955 ( -2.526 -8.308 0.496) 8.698 2.955 ( -2.526 8.308 0.496) 8.698 3.207 ( 6.892 -4.205 1.235) 8.168 3.207 ( 6.892 4.205 1.235) 8.168 3.262 ( -1.329 -1.104 -3.350) 3.769 3.262 ( -1.329 1.104 -3.350) 3.769 3.397 ( -2.758 -1.641 3.726) 4.918 3.397 ( -2.758 1.641 3.726) 4.918 3.596 ( -4.089 -6.685 -3.447) 8.561 3.596 ( -4.089 6.685 -3.447) 8.561 3.696 ( -0.052 -3.479 -2.958) 4.567 3.696 ( -0.052 3.479 -2.958) 4.567 3.981 ( -2.907 -6.132 7.460) 10.085 3.981 ( -2.907 6.132 7.460) 10.085 4.127 ( -3.058 -5.873 -3.606) 7.540 4.127 ( -3.058 5.873 -3.606) 7.540 4.408 ( 0.780 -1.767 0.533) 2.004 4.408 ( 0.780 1.767 0.533) 2.004 4.529 ( -0.510 -4.683 6.545) 8.064 4.529 ( -0.510 4.683 6.545) 8.064 4.703 ( -1.295 -3.315 -2.330) 4.254 4.703 ( -1.295 3.315 -2.330) 4.254 4.931 ( -0.118 -3.461 -1.571) 3.803 4.931 ( -0.118 3.461 -1.571) 3.803 5.261 ( -1.533 -5.202 3.968) 6.720 5.261 ( -1.533 5.202 3.968) 6.720 5.547 ( -1.952 -4.522 -1.163) 5.061 5.547 ( -1.952 4.522 -1.163) 5.061 5.737 ( -2.294 -3.675 -4.082) 5.953 5.737 ( -2.294 3.675 -4.082) 5.953 5.863 ( 3.399 -3.341 -0.356) 4.779 5.863 ( 3.399 3.341 -0.356) 4.779 6.108 ( -0.511 -0.900 0.753) 1.280 6.108 ( -0.511 0.900 0.753) 1.280 6.219 ( 1.963 -1.992 -0.096) 2.798 6.219 ( 1.963 1.992 -0.096) 2.798 6.487 ( 0.120 -3.053 -5.331) 6.144 6.487 ( 0.120 3.053 -5.331) 6.144 6.539 ( -0.778 -2.100 1.067) 2.481 6.539 ( -0.778 2.100 1.067) 2.481 6.915 ( -1.428 -2.797 1.950) 3.697 6.915 ( -1.428 2.797 1.950) 3.697 6.986 ( 2.470 -6.910 -0.199) 7.341 6.986 ( 2.470 6.910 -0.199) 7.341 7.367 ( 0.478 -1.748 0.652) 1.926 7.367 ( 0.478 1.748 0.652) 1.926 7.502 ( 1.826 -0.557 0.896) 2.109 7.502 ( 1.826 0.557 0.896) 2.109 7.983 ( -1.391 -4.288 -1.985) 4.926 7.983 ( -1.391 4.288 -1.985) 4.926 8.309 ( 0.932 -2.281 1.731) 3.011 8.309 ( 0.932 2.281 1.731) 3.011 11.179 ( 1.227 -1.204 -2.113) 2.723 11.179 ( 1.227 1.204 -2.113) 2.723 11.356 ( -0.290 -1.473 2.393) 2.825 11.356 ( -0.290 1.473 2.393) 2.825 11.588 ( -0.977 -1.543 0.117) 1.830 11.588 ( -0.977 1.543 0.117) 1.830 11.843 ( -0.110 -0.571 0.297) 0.653 11.843 ( -0.110 0.571 0.297) 0.653 12.349 ( -0.273 -1.553 0.931) 1.831 12.349 ( -0.273 1.553 0.931) 1.831 12.375 ( 0.486 -0.140 -0.675) 0.844 12.375 ( 0.486 0.140 -0.675) 0.844 12.573 ( 0.181 -0.938 -0.848) 1.278 12.573 ( 0.181 0.938 -0.848) 1.278 12.602 ( -0.451 -0.437 -0.416) 0.753 12.602 ( -0.451 0.437 -0.416) 0.753 12.624 ( -0.369 -0.811 0.868) 1.244 12.624 ( -0.369 0.811 0.868) 1.244 12.805 ( -1.037 -0.880 0.922) 1.643 12.805 ( -1.037 0.880 0.922) 1.643 12.890 ( 0.894 -0.647 -0.675) 1.293 12.890 ( 0.894 0.647 -0.675) 1.293 12.968 ( 0.546 -0.872 0.375) 1.095 12.968 ( 0.546 0.872 0.375) 1.095 13.372 ( 0.124 -0.053 -0.496) 0.514 13.372 ( 0.124 0.053 -0.496) 0.514 13.417 ( 0.598 -0.710 0.420) 1.019 13.417 ( 0.598 0.710 0.420) 1.019 13.942 ( -0.539 -1.883 -0.496) 2.021 13.942 ( -0.539 1.883 -0.496) 2.021 14.034 ( 0.883 -0.736 0.411) 1.221 14.034 ( 0.883 0.736 0.411) 1.221 14.306 ( -0.780 -0.265 -0.487) 0.957 14.306 ( -0.780 0.265 -0.487) 0.957 14.351 ( 0.150 -0.147 0.073) 0.222 14.351 ( 0.150 0.147 0.073) 0.222 ======================= Grid point 114 (64/84) ======================= q-point: ( 0.33 -0.50 -0.67) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( 9.329 -9.154 -5.206) 14.069 2.065 ( 9.329 9.154 -5.206) 14.069 2.198 ( 14.723 -11.489 -11.459) 21.910 2.198 ( 14.723 11.489 -11.459) 21.910 2.598 ( 1.302 -4.687 0.664) 4.910 2.598 ( 1.302 4.687 0.664) 4.910 2.686 ( -7.420 -1.208 1.440) 7.654 2.686 ( -7.420 1.208 1.440) 7.654 3.030 ( 6.564 -5.680 7.636) 11.561 3.030 ( 6.564 5.680 7.636) 11.561 3.164 ( -3.756 -0.570 -4.701) 6.044 3.164 ( -3.756 0.570 -4.701) 6.044 3.324 ( -1.396 -2.528 -0.357) 2.910 3.324 ( -1.396 2.528 -0.357) 2.910 3.419 ( 5.567 -2.477 4.024) 7.302 3.419 ( 5.567 2.477 4.024) 7.302 3.547 ( -0.461 -7.903 2.866) 8.419 3.547 ( -0.461 7.903 2.866) 8.419 3.673 ( 2.014 -2.954 -2.007) 4.100 3.673 ( 2.014 2.954 -2.007) 4.100 3.975 ( -4.512 -4.793 -0.019) 6.582 3.975 ( -4.512 4.793 -0.019) 6.582 4.036 ( -4.335 -1.637 1.296) 4.811 4.036 ( -4.335 1.637 1.296) 4.811 4.410 ( -5.067 -1.212 2.063) 5.604 4.410 ( -5.067 1.212 2.063) 5.604 4.541 ( 0.845 -3.077 -2.617) 4.127 4.541 ( 0.845 3.077 -2.617) 4.127 4.659 ( -0.922 -2.479 -2.396) 3.569 4.659 ( -0.922 2.479 -2.396) 3.569 4.944 ( -0.442 -2.608 3.704) 4.551 4.944 ( -0.442 2.608 3.704) 4.551 5.285 ( -2.327 -6.367 2.248) 7.143 5.285 ( -2.327 6.367 2.248) 7.143 5.540 ( 0.902 -6.467 0.145) 6.532 5.540 ( 0.902 6.467 0.145) 6.532 5.617 ( -2.838 -2.602 -3.031) 4.900 5.617 ( -2.838 2.602 -3.031) 4.900 5.936 ( 5.178 -4.533 -1.162) 6.979 5.936 ( 5.178 4.533 -1.162) 6.979 6.085 ( -1.940 -1.197 -0.696) 2.384 6.085 ( -1.940 1.197 -0.696) 2.384 6.259 ( 0.942 -3.220 1.600) 3.717 6.259 ( 0.942 3.220 1.600) 3.717 6.410 ( 0.557 -2.366 -5.963) 6.439 6.410 ( 0.557 2.366 -5.963) 6.439 6.546 ( -0.046 -2.421 1.572) 2.887 6.546 ( -0.046 2.421 1.572) 2.887 6.902 ( -2.310 -1.933 0.455) 3.046 6.902 ( -2.310 1.933 0.455) 3.046 7.021 ( 1.933 -6.110 -0.427) 6.423 7.021 ( 1.933 6.110 -0.427) 6.423 7.397 ( 1.174 -2.522 1.901) 3.369 7.397 ( 1.174 2.522 1.901) 3.369 7.548 ( 1.299 -0.906 1.835) 2.424 7.548 ( 1.299 0.906 1.835) 2.424 7.931 ( -0.797 -4.541 -2.908) 5.451 7.931 ( -0.797 4.541 -2.908) 5.451 8.350 ( 0.494 -2.172 2.419) 3.289 8.350 ( 0.494 2.172 2.419) 3.289 11.168 ( 1.255 -0.893 -2.298) 2.767 11.168 ( 1.255 0.893 -2.298) 2.767 11.391 ( -0.263 -1.879 3.171) 3.695 11.391 ( -0.263 1.879 3.171) 3.695 11.578 ( -0.721 -1.711 0.486) 1.919 11.578 ( -0.721 1.711 0.486) 1.919 11.842 ( -0.297 -0.811 0.123) 0.873 11.842 ( -0.297 0.811 0.123) 0.873 12.353 ( -0.335 -1.332 0.312) 1.408 12.353 ( -0.335 1.332 0.312) 1.408 12.374 ( 0.433 -0.527 -0.568) 0.888 12.374 ( 0.433 0.527 -0.568) 0.888 12.550 ( -0.564 -0.643 -1.907) 2.090 12.550 ( -0.564 0.643 -1.907) 2.090 12.598 ( 0.241 -0.408 0.181) 0.508 12.598 ( 0.241 0.408 0.181) 0.508 12.634 ( -0.145 -0.602 1.039) 1.210 12.634 ( -0.145 0.602 1.039) 1.210 12.802 ( -0.874 -0.881 0.934) 1.553 12.802 ( -0.874 0.881 0.934) 1.553 12.898 ( 0.836 -0.828 -0.214) 1.196 12.898 ( 0.836 0.828 -0.214) 1.196 12.983 ( 0.426 -1.112 0.618) 1.341 12.983 ( 0.426 1.112 0.618) 1.341 13.364 ( 0.119 -0.089 -1.001) 1.012 13.364 ( 0.119 0.089 -1.001) 1.012 13.432 ( 0.375 -0.664 0.505) 0.915 13.432 ( 0.375 0.664 0.505) 0.915 13.925 ( -0.447 -1.858 -0.660) 2.021 13.925 ( -0.447 1.858 -0.660) 2.021 14.064 ( 1.008 -0.645 1.741) 2.113 14.064 ( 1.008 0.645 1.741) 2.113 14.283 ( -0.659 -0.449 -1.091) 1.352 14.283 ( -0.659 0.449 -1.091) 1.352 14.353 ( 0.002 -0.061 -0.135) 0.148 14.353 ( 0.002 0.061 -0.135) 0.148 ======================= Grid point 116 (65/84) ======================= q-point: ( 0.44 -0.50 -0.67) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.194 ( 13.666 -5.147 -4.708) 15.344 2.194 ( 13.666 5.147 -4.708) 15.344 2.327 ( 8.145 -8.191 -3.551) 12.085 2.327 ( 8.145 8.191 -3.551) 12.085 2.493 ( -5.415 -3.238 -1.506) 6.487 2.493 ( -5.415 3.238 -1.506) 6.487 2.588 ( -5.592 -3.451 -2.663) 7.090 2.588 ( -5.592 3.451 -2.663) 7.090 3.034 ( -2.374 -4.260 -4.903) 6.915 3.034 ( -2.374 4.260 -4.903) 6.915 3.171 ( -2.036 -2.657 2.924) 4.444 3.171 ( -2.036 2.657 2.924) 4.444 3.351 ( 4.151 -2.569 5.496) 7.351 3.351 ( 4.151 2.569 5.496) 7.351 3.563 ( 2.014 -2.755 5.683) 6.629 3.563 ( 2.014 2.755 5.683) 6.629 3.629 ( 3.103 -2.753 2.965) 5.099 3.629 ( 3.103 2.753 2.965) 5.099 3.700 ( 1.173 -3.401 1.641) 3.954 3.700 ( 1.173 3.401 1.641) 3.954 3.898 ( -2.539 -6.601 -1.360) 7.202 3.898 ( -2.539 6.601 -1.360) 7.202 3.982 ( -4.110 -1.404 -0.025) 4.343 3.982 ( -4.110 1.404 -0.025) 4.343 4.329 ( -4.385 -1.476 0.928) 4.719 4.329 ( -4.385 1.476 0.928) 4.719 4.516 ( -1.695 -2.868 -1.676) 3.729 4.516 ( -1.695 2.868 -1.676) 3.729 4.612 ( 1.416 -4.522 -4.582) 6.591 4.612 ( 1.416 4.522 -4.582) 6.591 4.977 ( -1.709 -2.499 3.383) 4.540 4.977 ( -1.709 2.499 3.383) 4.540 5.227 ( -3.027 -3.902 -2.953) 5.754 5.227 ( -3.027 3.902 -2.953) 5.754 5.521 ( 0.206 -7.036 -0.116) 7.039 5.521 ( 0.206 7.036 -0.116) 7.039 5.644 ( 2.486 -3.588 1.303) 4.556 5.644 ( 2.486 3.588 1.303) 4.556 5.962 ( 1.389 -1.821 -2.189) 3.168 5.962 ( 1.389 1.821 -2.189) 3.168 6.063 ( 0.300 -1.570 -0.157) 1.606 6.063 ( 0.300 1.570 -0.157) 1.606 6.280 ( -0.414 -4.106 0.990) 4.244 6.280 ( -0.414 4.106 0.990) 4.244 6.359 ( 1.709 -2.376 -4.492) 5.361 6.359 ( 1.709 2.376 -4.492) 5.361 6.580 ( 0.982 -2.698 1.774) 3.375 6.580 ( 0.982 2.698 1.774) 3.375 6.864 ( -2.131 -2.443 0.039) 3.242 6.864 ( -2.131 2.443 0.039) 3.242 7.034 ( 1.035 -6.024 -1.097) 6.210 7.034 ( 1.035 6.024 -1.097) 6.210 7.446 ( 0.236 -2.677 3.239) 4.209 7.446 ( 0.236 2.677 3.239) 4.209 7.584 ( 0.672 -0.348 1.080) 1.319 7.584 ( 0.672 0.348 1.080) 1.319 7.885 ( -0.012 -3.786 -2.872) 4.752 7.885 ( -0.012 3.786 -2.872) 4.752 8.385 ( -0.160 -1.118 2.255) 2.522 8.385 ( -0.160 1.118 2.255) 2.522 11.159 ( 1.075 -0.867 -1.978) 2.412 11.159 ( 1.075 0.867 -1.978) 2.412 11.426 ( -0.673 -2.404 3.109) 3.987 11.426 ( -0.673 2.404 3.109) 3.987 11.579 ( -0.088 -2.221 0.625) 2.309 11.579 ( -0.088 2.221 0.625) 2.309 11.838 ( -0.268 -0.781 0.013) 0.826 11.838 ( -0.268 0.781 0.013) 0.826 12.346 ( -0.675 -1.448 -0.113) 1.602 12.346 ( -0.675 1.448 -0.113) 1.602 12.374 ( 0.421 -0.854 -0.458) 1.057 12.374 ( 0.421 0.854 -0.458) 1.057 12.514 ( -0.619 -0.417 -1.649) 1.810 12.514 ( -0.619 0.417 -1.649) 1.810 12.611 ( 0.471 -0.787 0.531) 1.060 12.611 ( 0.471 0.787 0.531) 1.060 12.643 ( -0.027 -0.297 0.385) 0.487 12.643 ( -0.027 0.297 0.385) 0.487 12.803 ( -0.647 -0.946 0.988) 1.513 12.803 ( -0.647 0.946 0.988) 1.513 12.910 ( 0.794 -0.756 -0.074) 1.098 12.910 ( 0.794 0.756 -0.074) 1.098 12.996 ( -0.020 -1.064 0.849) 1.361 12.996 ( -0.020 1.064 0.849) 1.361 13.350 ( -0.023 -0.077 -1.164) 1.167 13.350 ( -0.023 0.077 -1.164) 1.167 13.442 ( 0.070 -0.630 0.393) 0.746 13.442 ( 0.070 0.630 0.393) 0.746 13.913 ( -0.041 -1.336 -0.556) 1.448 13.913 ( -0.041 1.336 -0.556) 1.448 14.110 ( 0.946 -0.429 2.510) 2.716 14.110 ( 0.946 0.429 2.510) 2.716 14.256 ( -0.429 -0.388 -1.626) 1.726 14.256 ( -0.429 0.388 -1.626) 1.726 14.348 ( -0.131 -0.124 -0.300) 0.350 14.348 ( -0.131 0.124 -0.300) 0.350 ======================= Grid point 118 (66/84) ======================= q-point: (-0.44 -0.50 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( -9.205 -12.521 -6.434) 16.820 2.151 ( -9.205 12.521 -6.434) 16.820 2.266 ( -14.118 -8.125 -3.232) 16.606 2.266 ( -14.118 8.125 -3.232) 16.606 2.469 ( 10.906 -5.442 1.421) 12.271 2.469 ( 10.906 5.442 1.421) 12.271 2.624 ( 5.776 -2.225 0.130) 6.191 2.624 ( 5.776 2.225 0.130) 6.191 2.988 ( 2.484 -4.862 -1.914) 5.786 2.988 ( 2.484 4.862 -1.914) 5.786 3.161 ( -0.101 -2.251 0.082) 2.255 3.161 ( -0.101 2.251 0.082) 2.255 3.444 ( -2.947 -1.655 3.134) 4.609 3.444 ( -2.947 1.655 3.134) 4.609 3.524 ( -12.349 -5.298 0.592) 13.450 3.524 ( -12.349 5.298 0.592) 13.450 3.722 ( 1.102 -3.642 3.664) 5.283 3.722 ( 1.102 3.642 3.664) 5.283 3.743 ( 2.228 -2.294 4.501) 5.521 3.743 ( 2.228 2.294 4.501) 5.521 3.873 ( 1.280 -6.914 -2.370) 7.420 3.873 ( 1.280 6.914 -2.370) 7.420 3.949 ( -0.436 -2.654 2.181) 3.463 3.949 ( -0.436 2.654 2.181) 3.463 4.344 ( 3.725 -1.081 -0.053) 3.879 4.344 ( 3.725 1.081 -0.053) 3.879 4.465 ( -0.544 -1.623 -0.207) 1.725 4.465 ( -0.544 1.623 -0.207) 1.725 4.566 ( -0.649 -2.675 -3.547) 4.490 4.566 ( -0.649 2.675 -3.547) 4.490 5.005 ( 1.230 -2.929 2.888) 4.293 5.005 ( 1.230 2.929 2.888) 4.293 5.163 ( 0.583 -2.164 -3.028) 3.767 5.163 ( 0.583 2.164 -3.028) 3.767 5.540 ( -0.946 -2.619 1.423) 3.127 5.540 ( -0.946 2.619 1.423) 3.127 5.664 ( 2.283 -1.479 -2.321) 3.576 5.664 ( 2.283 1.479 -2.321) 3.576 5.974 ( 0.947 -2.549 0.083) 2.720 5.974 ( 0.947 2.549 0.083) 2.720 6.063 ( 0.518 -1.968 -0.641) 2.134 6.063 ( 0.518 1.968 -0.641) 2.134 6.269 ( -1.080 -3.577 -0.490) 3.768 6.269 ( -1.080 3.577 -0.490) 3.768 6.352 ( 3.718 -4.802 -2.803) 6.689 6.352 ( 3.718 4.802 -2.803) 6.689 6.605 ( -0.322 -2.752 0.724) 2.864 6.605 ( -0.322 2.752 0.724) 2.864 6.851 ( -0.227 -2.194 1.034) 2.436 6.851 ( -0.227 2.194 1.034) 2.436 7.023 ( -0.716 -5.403 -1.086) 5.558 7.023 ( -0.716 5.403 -1.086) 5.558 7.481 ( -1.182 -1.687 2.682) 3.382 7.481 ( -1.182 1.687 2.682) 3.382 7.602 ( 0.493 -0.958 0.343) 1.131 7.602 ( 0.493 0.958 0.343) 1.131 7.857 ( 0.804 -1.648 -2.205) 2.868 7.857 ( 0.804 1.648 -2.205) 2.868 8.403 ( -0.811 -0.518 1.585) 1.855 8.403 ( -0.811 0.518 1.585) 1.855 11.148 ( 0.527 -1.176 -1.535) 2.004 11.148 ( 0.527 1.176 -1.535) 2.004 11.451 ( -0.877 -2.452 2.431) 3.563 11.451 ( -0.877 2.452 2.431) 3.563 11.588 ( 0.358 -2.383 0.251) 2.423 11.588 ( 0.358 2.383 0.251) 2.423 11.835 ( -0.233 -0.463 0.059) 0.522 11.835 ( -0.233 0.463 0.059) 0.522 12.333 ( -0.840 -1.630 0.143) 1.840 12.333 ( -0.840 1.630 0.143) 1.840 12.374 ( 0.324 -1.368 -0.413) 1.466 12.374 ( 0.324 1.368 -0.413) 1.466 12.493 ( 0.053 -0.170 -0.741) 0.762 12.493 ( 0.053 0.170 -0.741) 0.762 12.620 ( -0.207 -1.044 0.308) 1.107 12.620 ( -0.207 1.044 0.308) 1.107 12.646 ( 0.282 -0.194 -0.090) 0.354 12.646 ( 0.282 0.194 -0.090) 0.354 12.807 ( -0.500 -1.180 0.926) 1.581 12.807 ( -0.500 1.180 0.926) 1.581 12.918 ( 0.599 -0.309 -0.416) 0.792 12.918 ( 0.599 0.309 -0.416) 0.792 13.004 ( -0.521 -0.429 0.853) 1.087 13.004 ( -0.521 0.429 0.853) 1.087 13.334 ( -0.186 -0.227 -0.796) 0.848 13.334 ( -0.186 0.227 -0.796) 0.848 13.446 ( -0.056 -0.573 0.281) 0.640 13.446 ( -0.056 0.573 0.281) 0.640 13.910 ( 0.464 -0.688 -0.424) 0.932 13.910 ( 0.464 0.688 -0.424) 0.932 14.157 ( 0.420 -0.686 2.671) 2.789 14.157 ( 0.420 0.686 2.671) 2.789 14.224 ( -0.272 -0.072 -2.297) 2.315 14.224 ( -0.272 0.072 -2.297) 2.315 14.344 ( 0.103 -0.120 -0.161) 0.225 14.344 ( 0.103 0.120 -0.161) 0.225 ======================= Grid point 120 (67/84) ======================= q-point: (-0.33 -0.50 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( -16.489 -13.066 -2.985) 21.249 1.858 ( -16.489 13.066 -2.985) 21.249 2.003 ( -17.043 -7.811 0.882) 18.768 2.003 ( -17.043 7.811 0.882) 18.768 2.592 ( 3.888 -5.869 -2.426) 7.446 2.592 ( 3.888 5.869 -2.426) 7.446 2.743 ( 9.003 -4.891 0.761) 10.274 2.743 ( 9.003 4.891 0.761) 10.274 2.999 ( -2.209 -1.290 0.769) 2.671 2.999 ( -2.209 1.290 0.769) 2.671 3.131 ( -7.777 -4.659 1.734) 9.230 3.131 ( -7.777 4.659 1.734) 9.230 3.320 ( -4.451 -6.217 -0.393) 7.657 3.320 ( -4.451 6.217 -0.393) 7.657 3.409 ( -5.315 -2.463 0.027) 5.858 3.409 ( -5.315 2.463 0.027) 5.858 3.712 ( -2.544 -2.959 -2.185) 4.472 3.712 ( -2.544 2.959 -2.185) 4.472 3.847 ( 2.921 -0.746 1.046) 3.191 3.847 ( 2.921 0.746 1.046) 3.191 3.904 ( 3.133 -2.481 2.427) 4.675 3.904 ( 3.133 2.481 2.427) 4.675 4.003 ( 2.541 -4.484 3.366) 6.156 4.003 ( 2.541 4.484 3.366) 6.156 4.358 ( 0.886 -1.022 -1.268) 1.854 4.358 ( 0.886 1.022 -1.268) 1.854 4.480 ( -2.315 -2.508 -1.094) 3.584 4.480 ( -2.315 2.508 -1.094) 3.584 4.578 ( 6.799 -3.686 1.442) 7.868 4.578 ( 6.799 3.686 1.442) 7.868 5.098 ( 2.354 -1.648 5.345) 6.069 5.098 ( 2.354 1.648 5.345) 6.069 5.162 ( 4.006 -0.704 -2.678) 4.870 5.162 ( 4.006 0.704 -2.678) 4.870 5.505 ( -2.385 -2.655 -0.844) 3.668 5.505 ( -2.385 2.655 -0.844) 3.668 5.690 ( 2.548 -3.201 -1.089) 4.234 5.690 ( 2.548 3.201 -1.089) 4.234 5.956 ( -0.514 -1.555 -1.748) 2.396 5.956 ( -0.514 1.555 -1.748) 2.396 6.072 ( 1.048 -0.541 -0.638) 1.341 6.072 ( 1.048 0.541 -0.638) 1.341 6.254 ( -0.414 -2.480 0.292) 2.531 6.254 ( -0.414 2.480 0.292) 2.531 6.384 ( 3.968 -5.435 -2.836) 7.302 6.384 ( 3.968 5.435 -2.836) 7.302 6.593 ( -1.239 -2.475 -0.005) 2.768 6.593 ( -1.239 2.475 -0.005) 2.768 6.878 ( 1.206 -1.248 1.345) 2.196 6.878 ( 1.206 1.248 1.345) 2.196 6.991 ( -1.728 -3.880 -0.070) 4.248 6.991 ( -1.728 3.880 -0.070) 4.248 7.473 ( -2.146 -1.047 0.222) 2.398 7.473 ( -2.146 1.047 0.222) 2.398 7.611 ( 0.261 -1.823 -0.109) 1.845 7.611 ( 0.261 1.823 -0.109) 1.845 7.853 ( 1.171 -1.357 -0.817) 1.970 7.853 ( 1.171 1.357 -0.817) 1.970 8.401 ( -1.297 -2.365 0.647) 2.773 8.401 ( -1.297 2.365 0.647) 2.773 11.136 ( 0.033 -1.600 -0.928) 1.850 11.136 ( 0.033 1.600 -0.928) 1.850 11.460 ( -0.918 -2.263 0.948) 2.620 11.460 ( -0.918 2.263 0.948) 2.620 11.596 ( 0.493 -1.708 -0.178) 1.787 11.596 ( 0.493 1.708 -0.178) 1.787 11.833 ( -0.212 -0.529 0.287) 0.638 11.833 ( -0.212 0.529 0.287) 0.638 12.326 ( -0.807 -1.482 0.786) 1.861 12.326 ( -0.807 1.482 0.786) 1.861 12.373 ( 0.249 -1.810 -0.304) 1.852 12.373 ( 0.249 1.810 -0.304) 1.852 12.497 ( 0.774 -0.761 0.230) 1.109 12.497 ( 0.774 0.761 0.230) 1.109 12.613 ( -0.578 -0.177 -0.169) 0.627 12.613 ( -0.578 0.177 -0.169) 0.627 12.649 ( 0.186 -0.661 -0.147) 0.702 12.649 ( 0.186 0.661 -0.147) 0.702 12.810 ( -0.526 -1.463 0.766) 1.733 12.810 ( -0.526 1.463 0.766) 1.733 12.916 ( 0.301 -0.799 -0.947) 1.275 12.916 ( 0.301 0.799 -0.947) 1.275 13.002 ( -0.801 -0.386 0.420) 0.984 13.002 ( -0.801 0.386 0.420) 0.984 13.326 ( -0.217 -0.372 0.103) 0.443 13.326 ( -0.217 0.372 0.103) 0.443 13.447 ( -0.087 -0.609 0.039) 0.616 13.447 ( -0.087 0.609 0.039) 0.616 13.916 ( 0.797 -0.313 -0.278) 0.900 13.916 ( 0.797 0.313 -0.278) 0.900 14.169 ( -0.855 -0.396 -1.531) 1.798 14.169 ( -0.855 0.396 -1.531) 1.798 14.210 ( 0.526 -0.573 1.148) 1.387 14.210 ( 0.526 0.573 1.148) 1.387 14.347 ( 0.382 -0.417 0.002) 0.565 14.347 ( 0.382 0.417 0.002) 0.565 ======================= Grid point 122 (68/84) ======================= q-point: (-0.22 -0.50 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( -12.307 -13.480 4.934) 18.908 1.626 ( -12.307 13.480 4.934) 18.908 1.743 ( -17.020 -9.870 3.492) 19.982 1.743 ( -17.020 9.870 3.492) 19.982 2.618 ( 2.241 -2.256 -0.383) 3.203 2.618 ( 2.241 2.256 -0.383) 3.203 2.814 ( -8.061 -14.910 6.774) 18.253 2.814 ( -8.061 14.910 6.774) 18.253 2.938 ( -3.721 -6.780 2.358) 8.085 2.938 ( -3.721 6.780 2.358) 8.085 3.096 ( 0.443 -1.679 -0.375) 1.777 3.096 ( 0.443 1.679 -0.375) 1.777 3.244 ( -1.444 -4.759 -2.334) 5.494 3.244 ( -1.444 4.759 -2.334) 5.494 3.363 ( -2.138 -1.378 -0.431) 2.580 3.363 ( -2.138 1.378 -0.431) 2.580 3.638 ( 1.106 -2.765 -5.666) 6.401 3.638 ( 1.106 2.765 -5.666) 6.401 3.847 ( 1.818 -2.429 -5.173) 5.997 3.847 ( 1.818 2.429 -5.173) 5.997 3.990 ( 1.628 -1.642 3.682) 4.348 3.990 ( 1.628 1.642 3.682) 4.348 4.121 ( 3.373 -1.555 5.514) 6.648 4.121 ( 3.373 1.555 5.514) 6.648 4.351 ( -4.187 -4.313 1.092) 6.110 4.351 ( -4.187 4.313 1.092) 6.110 4.445 ( 2.571 -2.408 -0.884) 3.632 4.445 ( 2.571 2.408 -0.884) 3.632 4.698 ( 4.838 -3.149 1.352) 5.929 4.698 ( 4.838 3.149 1.352) 5.929 5.142 ( 2.285 -1.776 -4.823) 5.625 5.142 ( 2.285 1.776 -4.823) 5.625 5.240 ( 1.403 -3.334 5.880) 6.904 5.240 ( 1.403 3.334 5.880) 6.904 5.486 ( 0.221 -1.712 1.138) 2.068 5.486 ( 0.221 1.712 1.138) 2.068 5.684 ( 0.497 -5.077 -2.623) 5.736 5.684 ( 0.497 5.077 -2.623) 5.736 5.936 ( 0.689 -0.600 -2.487) 2.650 5.936 ( 0.689 0.600 -2.487) 2.650 6.084 ( 1.395 -2.372 0.222) 2.761 6.084 ( 1.395 2.372 0.222) 2.761 6.266 ( -0.110 -2.071 2.143) 2.982 6.266 ( -0.110 2.071 2.143) 2.982 6.374 ( 1.517 -3.794 -5.059) 6.503 6.374 ( 1.517 3.794 -5.059) 6.503 6.581 ( -0.055 -3.049 -0.197) 3.055 6.581 ( -0.055 3.049 -0.197) 3.055 6.915 ( 1.046 -1.226 1.287) 2.062 6.915 ( 1.046 1.226 1.287) 2.062 6.981 ( -0.592 -2.275 1.304) 2.688 6.981 ( -0.592 2.275 1.304) 2.688 7.424 ( -2.080 -0.777 -2.061) 3.030 7.424 ( -2.080 0.777 -2.061) 3.030 7.600 ( -0.407 -1.874 -1.546) 2.463 7.600 ( -0.407 1.874 -1.546) 2.463 7.871 ( 0.792 -2.590 1.263) 2.988 7.871 ( 0.792 2.590 1.263) 2.988 8.380 ( -1.449 -3.900 -0.441) 4.183 8.380 ( -1.449 3.900 -0.441) 4.183 11.128 ( 0.037 -1.936 -0.142) 1.942 11.128 ( 0.037 1.936 -0.142) 1.942 11.446 ( -0.996 -1.887 -0.737) 2.258 11.446 ( -0.996 1.887 -0.737) 2.258 11.600 ( 0.495 -0.790 -0.246) 0.964 11.600 ( 0.495 0.790 -0.246) 0.964 11.836 ( -0.098 -0.859 0.568) 1.035 11.836 ( -0.098 0.859 0.568) 1.035 12.326 ( -0.813 -1.202 1.185) 1.873 12.326 ( -0.813 1.202 1.185) 1.873 12.375 ( 0.288 -2.036 -0.173) 2.063 12.375 ( 0.288 2.036 -0.173) 2.063 12.519 ( 0.940 -0.878 0.792) 1.511 12.519 ( 0.940 0.878 0.792) 1.511 12.601 ( -0.433 -0.367 -0.281) 0.633 12.601 ( -0.433 0.367 -0.281) 0.633 12.648 ( 0.038 -1.055 -0.111) 1.061 12.648 ( 0.038 1.055 -0.111) 1.061 12.810 ( -0.665 -1.548 0.757) 1.847 12.810 ( -0.665 1.548 0.757) 1.847 12.906 ( 0.321 -1.076 -1.228) 1.664 12.906 ( 0.321 1.076 -1.228) 1.664 12.989 ( -0.872 -0.651 -0.178) 1.103 12.989 ( -0.872 0.651 -0.178) 1.103 13.329 ( -0.223 -0.423 0.851) 0.976 13.329 ( -0.223 0.423 0.851) 0.976 13.444 ( -0.152 -0.713 -0.353) 0.810 13.444 ( -0.152 0.713 -0.353) 0.810 13.926 ( 0.805 -0.434 -0.087) 0.918 13.926 ( 0.805 0.434 -0.087) 0.918 14.125 ( -0.494 -0.764 -2.893) 3.033 14.125 ( -0.494 0.764 -2.893) 3.033 14.241 ( 0.236 -0.908 2.179) 2.372 14.241 ( 0.236 0.908 2.179) 2.372 14.353 ( 0.291 -0.627 -0.067) 0.695 14.353 ( 0.291 0.627 -0.067) 0.695 ======================= Grid point 124 (69/84) ======================= q-point: (-0.11 -0.50 0.33) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( -6.987 -21.325 10.667) 24.847 1.594 ( -6.987 21.325 10.667) 24.847 1.666 ( -3.598 -21.286 14.101) 25.785 1.666 ( -3.598 21.286 14.101) 25.785 2.607 ( -1.580 -0.508 -4.991) 5.260 2.607 ( -1.580 0.508 -4.991) 5.260 2.757 ( -9.251 -16.825 9.579) 21.457 2.757 ( -9.251 16.825 9.579) 21.457 2.960 ( 2.171 -5.845 -2.575) 6.746 2.960 ( 2.171 5.845 -2.575) 6.746 3.046 ( -2.002 -7.395 2.150) 7.957 3.046 ( -2.002 7.395 2.150) 7.957 3.236 ( -1.010 -3.129 -3.172) 4.568 3.236 ( -1.010 3.129 -3.172) 4.568 3.349 ( 0.200 -5.355 5.453) 7.645 3.349 ( 0.200 5.355 5.453) 7.645 3.598 ( 3.034 -3.645 -6.034) 7.675 3.598 ( 3.034 3.645 -6.034) 7.675 3.806 ( 2.313 -3.422 -5.196) 6.638 3.806 ( 2.313 3.422 -5.196) 6.638 4.033 ( -2.165 -2.291 2.873) 4.265 4.033 ( -2.165 2.291 2.873) 4.265 4.202 ( -3.934 -1.478 3.312) 5.351 4.202 ( -3.934 1.478 3.312) 5.351 4.295 ( 2.548 -2.941 -2.027) 4.387 4.295 ( 2.548 2.941 -2.027) 4.387 4.515 ( 2.301 -3.057 3.494) 5.181 4.515 ( 2.301 3.057 3.494) 5.181 4.763 ( 0.989 -2.374 0.913) 2.729 4.763 ( 0.989 2.374 0.913) 2.729 5.079 ( 1.820 -1.329 -8.215) 8.519 5.079 ( 1.820 1.329 -8.215) 8.519 5.294 ( -2.473 -5.413 2.445) 6.434 5.294 ( -2.473 5.413 2.445) 6.434 5.518 ( 0.460 -2.329 2.656) 3.562 5.518 ( 0.460 2.329 2.656) 3.562 5.695 ( 3.164 -5.430 0.547) 6.308 5.695 ( 3.164 5.430 0.547) 6.308 5.899 ( 0.507 -1.406 -3.695) 3.986 5.899 ( 0.507 1.406 -3.695) 3.986 6.108 ( 0.337 -2.776 -0.048) 2.797 6.108 ( 0.337 2.776 -0.048) 2.797 6.279 ( -0.149 -1.425 -1.798) 2.299 6.279 ( -0.149 1.425 -1.798) 2.299 6.359 ( 2.380 -4.172 0.914) 4.889 6.359 ( 2.380 4.172 0.914) 4.889 6.577 ( 0.137 -3.496 -0.648) 3.558 6.577 ( 0.137 3.496 -0.648) 3.558 6.938 ( -0.362 -1.990 0.960) 2.239 6.938 ( -0.362 1.990 0.960) 2.239 6.990 ( 0.043 -2.972 -0.044) 2.972 6.990 ( 0.043 2.972 -0.044) 2.972 7.367 ( -0.970 -1.241 -2.163) 2.676 7.367 ( -0.970 1.241 -2.163) 2.676 7.556 ( -1.158 -2.502 -2.818) 3.943 7.556 ( -1.158 2.502 -2.818) 3.943 7.919 ( 1.354 -1.746 3.289) 3.962 7.919 ( 1.354 1.746 3.289) 3.962 8.344 ( -1.361 -4.126 -1.485) 4.591 8.344 ( -1.361 4.126 -1.485) 4.591 11.136 ( 0.555 -2.028 0.572) 2.179 11.136 ( 0.555 2.028 0.572) 2.179 11.412 ( -1.080 -1.408 -1.735) 2.482 11.412 ( -1.080 1.408 -1.735) 2.482 11.606 ( 0.477 -0.323 -0.097) 0.584 11.606 ( 0.477 0.323 -0.097) 0.584 11.842 ( -0.195 -0.614 0.401) 0.759 11.842 ( -0.195 0.614 0.401) 0.759 12.330 ( -0.848 -0.902 1.282) 1.782 12.330 ( -0.848 0.902 1.282) 1.782 12.377 ( 0.332 -2.070 -0.287) 2.116 12.377 ( 0.332 2.070 -0.287) 2.116 12.541 ( 0.335 -0.412 0.787) 0.950 12.541 ( 0.335 0.412 0.787) 0.950 12.598 ( 0.205 -0.672 0.357) 0.788 12.598 ( 0.205 0.672 0.357) 0.788 12.646 ( 0.011 -1.049 -0.349) 1.105 12.646 ( 0.011 1.049 -0.349) 1.105 12.810 ( -0.796 -1.391 0.943) 1.860 12.810 ( -0.796 1.391 0.943) 1.860 12.896 ( 0.622 -0.952 -1.375) 1.784 12.896 ( 0.622 0.952 -1.375) 1.784 12.972 ( -0.721 -0.504 -0.400) 0.966 12.972 ( -0.721 0.504 -0.400) 0.966 13.340 ( -0.199 -0.390 1.169) 1.249 13.340 ( -0.199 0.390 1.169) 1.249 13.433 ( -0.197 -0.775 -0.764) 1.106 13.433 ( -0.197 0.775 -0.764) 1.106 13.938 ( 0.604 -0.520 0.156) 0.812 13.938 ( 0.604 0.520 0.156) 0.812 14.081 ( -0.118 -1.016 -2.869) 3.046 14.081 ( -0.118 1.016 -2.869) 3.046 14.274 ( 0.245 -0.924 2.165) 2.367 14.274 ( 0.245 0.924 2.165) 2.367 14.354 ( 0.108 -0.664 -0.196) 0.701 14.354 ( 0.108 0.664 -0.196) 0.701 ======================= Grid point 135 (70/84) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( 0.573 0.000 -22.784) 22.791 1.962 ( -0.573 0.000 22.784) 22.791 2.050 ( -2.068 0.000 -24.620) 24.707 2.050 ( 2.068 0.000 24.620) 24.707 2.462 ( -1.326 0.000 -7.271) 7.391 2.462 ( 1.326 0.000 7.271) 7.391 2.681 ( 2.727 0.000 -8.709) 9.126 2.681 ( -2.727 0.000 8.709) 9.126 2.790 ( 3.166 0.000 -12.662) 13.052 2.790 ( -3.166 0.000 12.662) 13.052 2.955 ( -2.401 0.000 -1.994) 3.121 2.955 ( 2.401 0.000 1.994) 3.121 3.414 ( -1.727 0.000 -0.561) 1.815 3.414 ( 1.727 0.000 0.561) 1.815 3.555 ( 1.544 0.000 -11.108) 11.215 3.555 ( -1.544 0.000 11.108) 11.215 3.590 ( -2.068 0.000 -2.459) 3.213 3.590 ( 2.068 0.000 2.459) 3.213 3.789 ( -9.561 0.000 0.943) 9.608 3.789 ( 9.561 0.000 -0.943) 9.608 3.884 ( -5.175 0.000 -0.639) 5.214 3.884 ( 5.175 0.000 0.639) 5.214 4.158 ( 3.572 0.000 -2.163) 4.175 4.158 ( -3.572 0.000 2.163) 4.175 4.421 ( -0.236 0.000 -4.820) 4.826 4.421 ( 0.236 0.000 4.820) 4.826 4.540 ( -3.533 0.000 -4.503) 5.724 4.540 ( 3.533 0.000 4.503) 5.724 4.825 ( 2.983 0.000 -6.246) 6.922 4.825 ( -2.983 0.000 6.246) 6.922 4.920 ( -2.811 0.000 -5.900) 6.536 4.920 ( 2.811 0.000 5.900) 6.536 5.174 ( -1.513 0.000 -2.478) 2.904 5.174 ( 1.513 0.000 2.478) 2.904 5.599 ( -0.180 0.000 -1.918) 1.926 5.599 ( 0.180 0.000 1.918) 1.926 5.774 ( -8.098 0.000 -1.423) 8.222 5.774 ( 8.098 0.000 1.423) 8.222 5.927 ( -0.389 0.000 -2.461) 2.492 5.927 ( 0.389 0.000 2.461) 2.492 6.000 ( -4.416 0.000 0.276) 4.424 6.000 ( 4.416 0.000 -0.276) 4.424 6.208 ( 2.292 0.000 -1.618) 2.805 6.208 ( -2.292 0.000 1.618) 2.805 6.438 ( -2.187 0.000 -3.878) 4.452 6.438 ( 2.187 0.000 3.878) 4.452 6.638 ( -1.237 0.000 0.370) 1.291 6.638 ( 1.237 0.000 -0.370) 1.291 6.769 ( 2.092 0.000 -1.197) 2.411 6.769 ( -2.092 0.000 1.197) 2.411 7.104 ( -0.337 0.000 0.105) 0.353 7.104 ( 0.337 0.000 -0.105) 0.353 7.314 ( -1.084 0.000 -0.480) 1.185 7.314 ( 1.084 0.000 0.480) 1.185 7.497 ( -0.779 0.000 -2.764) 2.871 7.497 ( 0.779 0.000 2.764) 2.871 7.973 ( -3.568 0.000 0.572) 3.614 7.973 ( 3.568 0.000 -0.572) 3.614 8.314 ( -1.747 0.000 -2.612) 3.143 8.314 ( 1.747 0.000 2.612) 3.143 11.199 ( 1.547 0.000 -3.206) 3.560 11.199 ( -1.547 0.000 3.206) 3.560 11.318 ( -1.518 0.000 0.282) 1.544 11.318 ( 1.518 0.000 -0.282) 1.544 11.612 ( -1.399 0.000 0.444) 1.468 11.612 ( 1.399 0.000 -0.444) 1.468 11.841 ( -0.436 0.000 -0.060) 0.440 11.841 ( 0.436 0.000 0.060) 0.440 12.320 ( -1.501 0.000 0.260) 1.524 12.320 ( 1.501 0.000 -0.260) 1.524 12.384 ( 0.122 0.000 -1.452) 1.457 12.384 ( -0.122 0.000 1.452) 1.457 12.579 ( 0.321 0.000 -0.716) 0.785 12.579 ( -0.321 0.000 0.716) 0.785 12.624 ( -0.153 0.000 -1.677) 1.684 12.624 ( 0.153 0.000 1.677) 1.684 12.647 ( -0.698 0.000 -0.564) 0.897 12.647 ( 0.698 0.000 0.564) 0.897 12.809 ( 1.183 0.000 -1.507) 1.916 12.809 ( -1.183 0.000 1.507) 1.916 12.861 ( -1.108 0.000 0.285) 1.144 12.861 ( 1.108 0.000 -0.285) 1.144 12.964 ( -0.063 0.000 -0.100) 0.118 12.964 ( 0.063 0.000 0.100) 0.118 13.371 ( 0.049 0.000 -0.223) 0.228 13.371 ( -0.049 0.000 0.223) 0.228 13.402 ( 0.837 0.000 -1.313) 1.557 13.402 ( -0.837 0.000 1.313) 1.557 13.944 ( -1.601 0.000 -0.481) 1.671 13.944 ( 1.601 0.000 0.481) 1.671 14.030 ( -0.376 0.000 -1.307) 1.360 14.030 ( 0.376 0.000 1.307) 1.360 14.318 ( 0.034 0.000 -1.123) 1.123 14.318 ( -0.034 0.000 1.123) 1.123 14.352 ( 0.016 0.000 -0.567) 0.567 14.352 ( -0.016 0.000 0.567) 0.567 ======================= Grid point 137 (71/84) ======================= q-point: ( 0.11 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( 0.519 0.000 -28.933) 28.938 1.680 ( 7.426 0.000 -26.120) 27.155 2.254 ( 4.563 0.000 11.811) 12.662 2.369 ( 2.562 0.000 -5.720) 6.267 2.394 ( 3.094 0.000 18.407) 18.666 2.550 ( -1.807 0.000 6.972) 7.202 2.579 ( 10.604 0.000 -16.623) 19.718 2.725 ( 4.013 0.000 -10.526) 11.265 2.743 ( 3.044 0.000 1.452) 3.372 2.892 ( -0.216 0.000 0.079) 0.230 2.935 ( 2.898 0.000 5.378) 6.109 2.957 ( -2.302 0.000 3.103) 3.864 3.372 ( -5.499 0.000 -7.729) 9.486 3.439 ( 3.169 0.000 -0.311) 3.184 3.464 ( -2.514 0.000 -0.561) 2.576 3.565 ( 0.884 0.000 1.896) 2.092 3.624 ( 2.568 0.000 -3.051) 3.988 3.702 ( -6.663 0.000 8.726) 10.979 3.733 ( 0.710 0.000 10.610) 10.634 3.783 ( -8.177 0.000 1.913) 8.398 3.912 ( 4.010 0.000 -2.460) 4.705 3.973 ( 3.199 0.000 3.191) 4.518 4.120 ( 1.096 0.000 -0.874) 1.402 4.179 ( 3.037 0.000 -1.609) 3.437 4.348 ( -3.996 0.000 -6.705) 7.805 4.439 ( -1.643 0.000 2.904) 3.337 4.506 ( -2.261 0.000 8.345) 8.646 4.565 ( 0.341 0.000 -4.658) 4.671 4.750 ( 0.485 0.000 -7.241) 7.257 4.812 ( -3.173 0.000 3.394) 4.646 4.858 ( -2.270 0.000 -1.129) 2.535 5.051 ( 0.901 0.000 4.357) 4.449 5.145 ( 0.599 0.000 2.519) 2.589 5.224 ( 0.279 0.000 2.194) 2.211 5.578 ( 0.548 0.000 -0.973) 1.117 5.605 ( -5.372 0.000 -2.122) 5.776 5.621 ( -1.610 0.000 -2.024) 2.586 5.869 ( 0.947 0.000 -0.787) 1.231 5.880 ( -0.312 0.000 -3.500) 3.514 5.917 ( 0.246 0.000 -2.082) 2.097 5.987 ( 1.188 0.000 1.868) 2.214 6.050 ( 2.907 0.000 -1.474) 3.259 6.219 ( -1.061 0.000 3.825) 3.970 6.239 ( 2.000 0.000 0.830) 2.166 6.351 ( -1.742 0.000 -3.257) 3.694 6.501 ( 1.285 0.000 0.626) 1.429 6.614 ( -2.073 0.000 0.101) 2.075 6.643 ( 1.213 0.000 -1.169) 1.685 6.749 ( -3.373 0.000 1.940) 3.891 6.797 ( 1.261 0.000 0.781) 1.483 7.113 ( 0.112 0.000 1.267) 1.272 7.119 ( 0.016 0.000 1.462) 1.462 7.317 ( 0.219 0.000 1.832) 1.845 7.359 ( 2.004 0.000 2.115) 2.914 7.456 ( 0.306 0.000 -2.215) 2.236 7.548 ( 1.010 0.000 2.507) 2.703 7.912 ( -3.230 0.000 -1.206) 3.448 8.005 ( 3.239 0.000 -2.896) 4.345 8.265 ( -0.835 0.000 -1.104) 1.384 8.378 ( 1.113 0.000 3.223) 3.410 11.172 ( 1.503 0.000 -4.064) 4.333 11.207 ( -1.299 0.000 1.486) 1.974 11.311 ( -1.285 0.000 1.800) 2.212 11.349 ( 1.080 0.000 1.469) 1.824 11.600 ( -1.163 0.000 1.156) 1.640 11.629 ( 0.976 0.000 0.059) 0.978 11.833 ( -0.625 0.000 -0.149) 0.643 11.852 ( 0.476 0.000 0.273) 0.549 12.306 ( -0.623 0.000 0.206) 0.656 12.342 ( 1.940 0.000 -1.055) 2.208 12.367 ( 0.003 0.000 -0.725) 0.725 12.397 ( -0.606 0.000 1.271) 1.408 12.575 ( 0.766 0.000 -1.290) 1.500 12.578 ( -0.179 0.000 -1.061) 1.076 12.599 ( -0.130 0.000 -0.667) 0.679 12.620 ( -1.114 0.000 -0.322) 1.160 12.642 ( -0.800 0.000 0.919) 1.219 12.661 ( -0.178 0.000 0.716) 0.738 12.806 ( 1.174 0.000 -1.768) 2.122 12.810 ( -1.196 0.000 1.423) 1.859 12.854 ( -0.717 0.000 0.938) 1.181 12.879 ( 1.294 0.000 -0.011) 1.294 12.967 ( 0.286 0.000 0.297) 0.412 12.973 ( 0.509 0.000 0.559) 0.756 13.362 ( 0.178 0.000 -1.193) 1.206 13.368 ( -0.027 0.000 -0.475) 0.475 13.408 ( 1.131 0.000 -0.409) 1.203 13.415 ( -0.422 0.000 1.815) 1.863 13.917 ( -1.360 0.000 -0.006) 1.360 13.973 ( 1.382 0.000 -0.622) 1.516 14.017 ( -0.071 0.000 0.723) 0.727 14.059 ( 0.447 0.000 2.061) 2.109 14.294 ( -0.465 0.000 -1.851) 1.909 14.321 ( -0.581 0.000 -0.056) 0.583 14.344 ( 0.061 0.000 -0.659) 0.661 14.357 ( -0.216 0.000 0.430) 0.482 ======================= Grid point 138 (72/84) ======================= q-point: ( 0.22 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( 16.361 0.000 -18.875) 24.978 1.554 ( 16.463 0.000 -19.885) 25.815 2.341 ( 4.709 0.000 -5.622) 7.334 2.457 ( 23.000 0.000 -13.494) 26.666 2.513 ( 0.532 0.000 -0.647) 0.838 2.591 ( -2.651 0.000 -6.867) 7.361 2.670 ( 5.161 0.000 6.484) 8.288 2.707 ( -1.153 0.000 14.512) 14.558 2.836 ( 6.671 0.000 -2.282) 7.051 2.886 ( -6.599 0.000 4.977) 8.266 2.966 ( 8.651 0.000 -2.656) 9.049 3.074 ( 1.685 0.000 -2.508) 3.021 3.229 ( 2.365 0.000 0.850) 2.513 3.394 ( -0.305 0.000 -4.036) 4.048 3.502 ( -2.538 0.000 3.871) 4.629 3.562 ( -5.636 0.000 5.353) 7.773 3.589 ( 1.393 0.000 -7.139) 7.274 3.698 ( -7.497 0.000 5.260) 9.159 3.741 ( -2.321 0.000 6.849) 7.232 3.813 ( -2.512 0.000 2.949) 3.873 3.841 ( -1.359 0.000 -4.298) 4.507 4.024 ( -2.595 0.000 0.229) 2.605 4.168 ( -1.778 0.000 -0.673) 1.901 4.230 ( 3.218 0.000 1.289) 3.466 4.249 ( 3.230 0.000 0.690) 3.303 4.426 ( -7.247 0.000 -2.155) 7.561 4.453 ( -2.592 0.000 0.887) 2.739 4.614 ( 0.738 0.000 4.765) 4.822 4.689 ( 0.529 0.000 -2.805) 2.854 4.755 ( -4.122 0.000 -4.849) 6.365 4.842 ( -0.308 0.000 3.095) 3.110 5.086 ( 1.378 0.000 3.142) 3.431 5.208 ( -2.542 0.000 3.409) 4.253 5.232 ( -1.790 0.000 0.669) 1.911 5.476 ( -4.066 0.000 -3.393) 5.296 5.583 ( 0.980 0.000 -4.364) 4.473 5.599 ( 1.275 0.000 1.338) 1.848 5.822 ( -2.463 0.000 -0.931) 2.633 5.847 ( 0.994 0.000 -0.974) 1.391 5.913 ( 0.293 0.000 -0.808) 0.859 6.037 ( 2.928 0.000 -0.397) 2.955 6.054 ( 0.666 0.000 -2.020) 2.127 6.210 ( -2.491 0.000 -1.543) 2.931 6.286 ( 1.578 0.000 1.226) 1.999 6.356 ( 2.384 0.000 3.296) 4.068 6.487 ( 0.842 0.000 -4.331) 4.412 6.578 ( -2.697 0.000 0.421) 2.730 6.667 ( 2.082 0.000 0.610) 2.170 6.716 ( -4.776 0.000 3.283) 5.795 6.797 ( -2.265 0.000 -0.515) 2.323 7.123 ( -1.850 0.000 0.874) 2.046 7.132 ( 1.139 0.000 -0.222) 1.160 7.364 ( 0.255 0.000 4.361) 4.369 7.421 ( 2.185 0.000 1.844) 2.859 7.469 ( 3.098 0.000 0.225) 3.106 7.590 ( 0.654 0.000 1.594) 1.723 7.848 ( -2.106 0.000 -1.550) 2.615 8.003 ( 1.858 0.000 -3.532) 3.991 8.268 ( 1.851 0.000 0.568) 1.936 8.429 ( -0.040 0.000 2.909) 2.909 11.147 ( 1.930 0.000 -3.514) 4.009 11.200 ( -1.112 0.000 0.470) 1.207 11.321 ( -1.054 0.000 2.406) 2.627 11.386 ( 0.395 0.000 2.024) 2.062 11.610 ( -0.109 0.000 1.768) 1.772 11.645 ( 0.723 0.000 0.378) 0.816 11.814 ( -0.764 0.000 -0.822) 1.122 11.857 ( -0.080 0.000 -0.171) 0.189 12.301 ( -0.294 0.000 -0.111) 0.315 12.338 ( 0.631 0.000 -2.063) 2.157 12.377 ( 1.118 0.000 0.022) 1.118 12.398 ( -0.874 0.000 0.909) 1.261 12.551 ( -0.241 0.000 -1.720) 1.737 12.561 ( 0.083 0.000 -2.048) 2.050 12.603 ( 0.540 0.000 0.225) 0.585 12.611 ( -0.188 0.000 0.858) 0.878 12.630 ( -1.125 0.000 -0.170) 1.138 12.661 ( -0.884 0.000 0.659) 1.103 12.801 ( 1.282 0.000 -1.883) 2.278 12.809 ( -1.341 0.000 1.457) 1.981 12.862 ( -0.442 0.000 1.546) 1.608 12.898 ( 1.082 0.000 -0.080) 1.085 12.981 ( 0.613 0.000 0.699) 0.930 12.994 ( 0.855 0.000 0.915) 1.252 13.349 ( 0.343 0.000 -1.306) 1.350 13.361 ( 0.030 0.000 -0.570) 0.570 13.421 ( 1.088 0.000 -0.362) 1.146 13.431 ( -0.439 0.000 1.515) 1.578 13.901 ( -1.075 0.000 0.551) 1.208 13.964 ( 0.170 0.000 -1.687) 1.696 14.053 ( 1.235 0.000 2.463) 2.756 14.098 ( 0.378 0.000 2.703) 2.730 14.257 ( -0.511 0.000 -2.306) 2.361 14.299 ( -0.801 0.000 -1.249) 1.483 14.338 ( 0.195 0.000 -0.474) 0.513 14.358 ( -0.402 0.000 0.446) 0.600 ======================= Grid point 139 (73/84) ======================= q-point: ( 0.33 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( 25.843 0.000 -4.331) 26.203 1.681 ( 22.105 0.000 -8.495) 23.681 2.338 ( -0.328 0.000 0.565) 0.653 2.478 ( -6.016 0.000 0.635) 6.050 2.488 ( 3.735 0.000 -8.594) 9.370 2.696 ( -5.777 0.000 -6.615) 8.782 2.734 ( 24.599 0.000 -5.712) 25.253 2.804 ( 5.263 0.000 0.454) 5.283 2.817 ( -3.697 0.000 2.226) 4.315 2.925 ( 3.182 0.000 6.823) 7.529 3.047 ( 8.097 0.000 -4.954) 9.493 3.207 ( 4.376 0.000 8.008) 9.126 3.295 ( 4.438 0.000 -2.027) 4.879 3.314 ( -2.208 0.000 -4.964) 5.433 3.466 ( -1.885 0.000 -5.057) 5.397 3.520 ( 0.010 0.000 0.632) 0.632 3.602 ( -0.317 0.000 6.617) 6.625 3.687 ( -3.998 0.000 7.933) 8.883 3.716 ( -7.052 0.000 2.543) 7.496 3.824 ( -2.234 0.000 2.461) 3.324 3.867 ( 3.619 0.000 2.851) 4.606 3.931 ( -4.322 0.000 -2.252) 4.873 4.113 ( -4.302 0.000 2.078) 4.777 4.194 ( -5.811 0.000 -3.844) 6.967 4.324 ( -1.696 0.000 2.311) 2.867 4.345 ( -2.204 0.000 0.990) 2.416 4.405 ( -0.069 0.000 -0.757) 0.761 4.590 ( -7.605 0.000 -3.122) 8.221 4.648 ( -1.589 0.000 -0.356) 1.629 4.652 ( -1.254 0.000 -2.988) 3.240 4.891 ( 2.034 0.000 1.626) 2.604 5.111 ( -3.849 0.000 -1.646) 4.187 5.194 ( -2.939 0.000 0.143) 2.943 5.249 ( 3.902 0.000 3.341) 5.137 5.347 ( -1.246 0.000 -3.985) 4.175 5.573 ( -0.196 0.000 0.831) 0.854 5.619 ( 0.435 0.000 -1.336) 1.405 5.797 ( -1.375 0.000 2.230) 2.620 5.893 ( 4.625 0.000 0.073) 4.626 5.918 ( -0.717 0.000 2.249) 2.360 6.024 ( -0.166 0.000 -2.977) 2.982 6.026 ( -0.256 0.000 -5.525) 5.531 6.166 ( -0.813 0.000 0.379) 0.897 6.295 ( -1.233 0.000 -0.848) 1.497 6.447 ( 2.377 0.000 3.157) 3.952 6.452 ( 3.017 0.000 -4.365) 5.306 6.552 ( -2.063 0.000 2.036) 2.899 6.690 ( -4.341 0.000 3.914) 5.844 6.704 ( 0.076 0.000 -0.683) 0.687 6.723 ( -2.362 0.000 -1.436) 2.764 7.099 ( -2.557 0.000 1.765) 3.107 7.140 ( 2.559 0.000 -3.101) 4.020 7.433 ( -0.412 0.000 5.588) 5.603 7.474 ( 2.086 0.000 0.307) 2.108 7.539 ( 3.822 0.000 1.314) 4.042 7.610 ( -0.239 0.000 1.254) 1.277 7.812 ( -0.588 0.000 -0.450) 0.740 7.965 ( -0.620 0.000 -3.812) 3.862 8.329 ( 3.360 0.000 1.504) 3.681 8.451 ( -1.151 0.000 1.856) 2.183 11.143 ( 2.444 0.000 -2.497) 3.494 11.186 ( -1.250 0.000 0.323) 1.292 11.342 ( -0.466 0.000 2.659) 2.700 11.410 ( -0.291 0.000 1.237) 1.270 11.639 ( 0.412 0.000 1.881) 1.925 11.662 ( 0.715 0.000 0.326) 0.786 11.797 ( 0.032 0.000 -0.584) 0.584 11.843 ( -0.715 0.000 -0.841) 1.104 12.290 ( -0.622 0.000 -0.306) 0.693 12.317 ( 0.295 0.000 -2.162) 2.182 12.392 ( 0.929 0.000 -0.184) 0.947 12.398 ( -0.507 0.000 0.803) 0.950 12.529 ( -0.321 0.000 -0.945) 0.998 12.531 ( -0.449 0.000 -1.603) 1.665 12.604 ( -0.840 0.000 -0.206) 0.865 12.612 ( 0.567 0.000 -0.678) 0.884 12.636 ( 0.861 0.000 0.937) 1.273 12.656 ( -0.861 0.000 1.106) 1.402 12.798 ( 1.460 0.000 -1.804) 2.321 12.805 ( -1.454 0.000 1.423) 2.035 12.877 ( -0.320 0.000 1.573) 1.606 12.909 ( 0.572 0.000 -0.404) 0.700 13.004 ( 0.834 0.000 0.960) 1.272 13.020 ( 0.755 0.000 0.844) 1.132 13.339 ( 0.474 0.000 -1.134) 1.229 13.352 ( -0.172 0.000 -0.546) 0.572 13.432 ( 0.914 0.000 -0.502) 1.043 13.440 ( -0.620 0.000 1.081) 1.246 13.897 ( -0.630 0.000 1.038) 1.214 13.944 ( -0.004 0.000 -1.453) 1.453 14.111 ( 1.548 0.000 2.695) 3.109 14.137 ( -0.294 0.000 2.855) 2.870 14.219 ( -0.111 0.000 -2.504) 2.506 14.266 ( -0.888 0.000 -1.728) 1.943 14.338 ( 0.284 0.000 -0.238) 0.371 14.355 ( -0.495 0.000 0.214) 0.539 ======================= Grid point 140 (74/84) ======================= q-point: ( 0.44 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( 20.079 0.000 -2.068) 20.185 1.991 ( 17.715 0.000 -0.750) 17.730 2.275 ( -5.616 0.000 -5.156) 7.624 2.299 ( -17.628 0.000 3.959) 18.067 2.536 ( 5.956 0.000 4.777) 7.635 2.618 ( 4.358 0.000 -4.066) 5.960 2.732 ( -5.267 0.000 -2.010) 5.637 2.737 ( -8.922 0.000 1.180) 9.000 3.073 ( 1.021 0.000 7.408) 7.478 3.103 ( 10.031 0.000 -6.811) 12.125 3.167 ( 23.044 0.000 -4.546) 23.488 3.223 ( -1.720 0.000 -0.474) 1.784 3.245 ( 3.711 0.000 -0.223) 3.717 3.376 ( -1.691 0.000 0.550) 1.778 3.398 ( 2.379 0.000 -2.696) 3.596 3.590 ( -5.840 0.000 -0.197) 5.843 3.590 ( 1.513 0.000 6.742) 6.910 3.685 ( -4.625 0.000 -3.537) 5.822 3.732 ( -2.187 0.000 3.162) 3.844 3.752 ( -6.552 0.000 2.690) 7.083 3.860 ( -1.835 0.000 2.847) 3.387 3.918 ( -0.181 0.000 -1.950) 1.958 4.125 ( -0.429 0.000 5.686) 5.702 4.130 ( 3.524 0.000 -0.911) 3.640 4.260 ( -5.012 0.000 0.794) 5.075 4.279 ( -3.304 0.000 -3.076) 4.514 4.435 ( -0.745 0.000 2.531) 2.639 4.462 ( -1.592 0.000 -3.334) 3.694 4.579 ( 0.828 0.000 -4.908) 4.977 4.596 ( -4.385 0.000 0.723) 4.444 4.948 ( 1.874 0.000 2.543) 3.159 5.023 ( -3.141 0.000 -2.380) 3.940 5.158 ( -2.621 0.000 1.529) 3.034 5.176 ( 0.830 0.000 -6.636) 6.688 5.520 ( 5.206 0.000 8.694) 10.133 5.591 ( 0.738 0.000 -3.401) 3.480 5.595 ( 1.713 0.000 3.386) 3.795 5.767 ( -5.548 0.000 -3.610) 6.619 5.921 ( -1.313 0.000 2.208) 2.569 5.960 ( 3.707 0.000 -1.658) 4.061 5.971 ( 0.568 0.000 -4.691) 4.725 5.972 ( -0.873 0.000 1.739) 1.946 6.182 ( 1.341 0.000 1.056) 1.707 6.238 ( -2.944 0.000 -1.668) 3.384 6.468 ( 4.513 0.000 -2.958) 5.396 6.492 ( -1.812 0.000 2.346) 2.964 6.566 ( 0.293 0.000 2.267) 2.286 6.625 ( -3.167 0.000 -2.059) 3.777 6.693 ( -1.426 0.000 3.510) 3.789 6.719 ( 0.557 0.000 -1.916) 1.996 7.103 ( -2.312 0.000 4.550) 5.104 7.129 ( 2.884 0.000 -5.037) 5.805 7.480 ( -0.977 0.000 2.864) 3.026 7.490 ( 1.049 0.000 -1.320) 1.686 7.609 ( 3.145 0.000 0.090) 3.146 7.627 ( -1.194 0.000 2.470) 2.743 7.821 ( 0.745 0.000 1.885) 2.027 7.887 ( -1.674 0.000 -4.333) 4.645 8.398 ( 2.886 0.000 0.905) 3.025 8.441 ( -2.055 0.000 0.439) 2.101 11.154 ( 2.221 0.000 -1.586) 2.729 11.169 ( -1.670 0.000 0.800) 1.852 11.376 ( 0.470 0.000 2.159) 2.210 11.406 ( -0.771 0.000 -0.534) 0.938 11.665 ( -0.058 0.000 1.414) 1.415 11.672 ( 0.542 0.000 -0.418) 0.684 11.800 ( 0.659 0.000 0.116) 0.670 11.819 ( -0.823 0.000 -0.751) 1.114 12.281 ( -0.528 0.000 0.600) 0.799 12.292 ( 0.191 0.000 -1.834) 1.844 12.401 ( 0.579 0.000 -0.339) 0.670 12.402 ( -0.341 0.000 0.600) 0.690 12.512 ( 0.086 0.000 -0.589) 0.595 12.515 ( -0.413 0.000 -0.204) 0.460 12.596 ( -0.345 0.000 0.413) 0.538 12.603 ( 0.086 0.000 -1.000) 1.004 12.658 ( 0.684 0.000 0.217) 0.718 12.662 ( -0.366 0.000 0.817) 0.895 12.799 ( 1.532 0.000 -1.695) 2.285 12.802 ( -1.489 0.000 1.555) 2.153 12.893 ( -0.137 0.000 1.274) 1.281 12.905 ( 0.147 0.000 -0.862) 0.874 13.028 ( 0.576 0.000 0.657) 0.873 13.035 ( 0.137 0.000 0.182) 0.228 13.336 ( 0.558 0.000 -0.587) 0.810 13.342 ( -0.469 0.000 -0.173) 0.499 13.438 ( 0.796 0.000 -0.612) 1.004 13.441 ( -0.738 0.000 0.768) 1.065 13.907 ( -0.163 0.000 1.324) 1.334 13.925 ( -0.022 0.000 -1.365) 1.366 14.165 ( -0.742 0.000 2.637) 2.739 14.171 ( 1.417 0.000 2.582) 2.945 14.189 ( 0.539 0.000 -2.584) 2.640 14.224 ( -1.172 0.000 -2.114) 2.417 14.341 ( 0.386 0.000 -0.029) 0.387 14.348 ( -0.486 0.000 -0.010) 0.486 ======================= Grid point 145 (75/84) ======================= q-point: ( 0.00 0.25 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( 1.583 1.426 -22.953) 23.051 1.956 ( -1.583 1.426 22.953) 23.051 2.128 ( -3.439 5.459 -20.203) 21.208 2.128 ( 3.439 5.459 20.203) 21.208 2.358 ( -1.370 -7.914 -10.563) 13.270 2.358 ( 1.370 -7.914 10.563) 13.270 2.594 ( -0.071 -7.204 -10.782) 12.967 2.594 ( 0.071 -7.204 10.782) 12.967 2.891 ( 2.388 7.215 -8.044) 11.066 2.891 ( -2.388 7.215 8.044) 11.066 3.022 ( -1.655 5.559 -4.817) 7.540 3.022 ( 1.655 5.559 4.817) 7.540 3.381 ( -2.508 -2.075 -5.767) 6.622 3.381 ( 2.508 -2.075 5.767) 6.622 3.492 ( -2.603 -7.787 -5.625) 9.953 3.492 ( 2.603 -7.787 5.625) 9.953 3.619 ( -1.607 3.501 -6.013) 7.141 3.619 ( 1.607 3.501 6.013) 7.141 3.723 ( -1.942 -0.552 -5.433) 5.796 3.723 ( 1.942 -0.552 5.433) 5.796 3.994 ( 1.502 4.829 -2.849) 5.805 3.994 ( -1.502 4.829 2.849) 5.805 4.143 ( 1.254 -2.210 -3.015) 3.943 4.143 ( -1.254 -2.210 3.015) 3.943 4.421 ( -1.006 0.552 -8.490) 8.568 4.421 ( 1.006 0.552 8.490) 8.568 4.519 ( -3.656 -1.889 -6.549) 7.735 4.519 ( 3.656 -1.889 6.549) 7.735 4.790 ( -0.550 -3.029 -5.059) 5.922 4.790 ( 0.550 -3.029 5.059) 5.922 4.914 ( -2.614 0.580 -3.422) 4.345 4.914 ( 2.614 0.580 3.422) 4.345 5.226 ( -0.872 3.832 -2.107) 4.459 5.226 ( 0.872 3.832 2.107) 4.459 5.613 ( -0.510 1.069 -2.272) 2.562 5.613 ( 0.510 1.069 2.272) 2.562 5.744 ( -4.291 -2.563 -3.158) 5.912 5.744 ( 4.291 -2.563 3.158) 5.912 5.901 ( 0.175 -1.654 -2.280) 2.822 5.901 ( -0.175 -1.654 2.280) 2.822 6.041 ( -2.368 3.181 0.445) 3.991 6.041 ( 2.368 3.181 -0.445) 3.991 6.208 ( 1.067 -0.435 -1.916) 2.236 6.208 ( -1.067 -0.435 1.916) 2.236 6.473 ( -1.611 2.417 -3.281) 4.382 6.473 ( 1.611 2.417 3.281) 4.382 6.591 ( 1.482 -3.483 -1.495) 4.069 6.591 ( -1.482 -3.483 1.495) 4.069 6.809 ( -0.110 3.936 -0.654) 3.991 6.809 ( 0.110 3.936 0.654) 3.991 7.059 ( 1.775 -4.111 -1.327) 4.671 7.059 ( -1.775 -4.111 1.327) 4.671 7.339 ( -0.057 1.786 -2.635) 3.183 7.339 ( 0.057 1.786 2.635) 3.183 7.480 ( -0.436 -1.280 -3.086) 3.369 7.480 ( 0.436 -1.280 3.086) 3.369 7.996 ( -2.732 1.735 0.190) 3.242 7.996 ( 2.732 1.735 -0.190) 3.242 8.298 ( -1.454 -1.188 -2.079) 2.801 8.298 ( 1.454 -1.188 2.079) 2.801 11.180 ( 1.051 -1.187 -2.057) 2.597 11.180 ( -1.051 -1.187 2.057) 2.597 11.338 ( 0.519 1.244 -0.824) 1.580 11.338 ( -0.519 1.244 0.824) 1.580 11.610 ( -0.002 -0.156 -0.066) 0.169 11.610 ( 0.002 -0.156 0.066) 0.169 11.841 ( -0.347 -0.009 -0.046) 0.350 11.841 ( 0.347 -0.009 0.046) 0.350 12.333 ( 0.323 1.085 -0.345) 1.184 12.333 ( -0.323 1.085 0.345) 1.184 12.378 ( 0.222 -0.514 -1.399) 1.507 12.378 ( -0.222 -0.514 1.399) 1.507 12.575 ( -0.016 -0.333 -0.541) 0.636 12.575 ( 0.016 -0.333 0.541) 0.636 12.619 ( -0.144 -0.363 -1.120) 1.186 12.619 ( 0.144 -0.363 1.120) 1.186 12.638 ( -0.481 -0.643 -0.708) 1.071 12.638 ( 0.481 -0.643 0.708) 1.071 12.817 ( 0.923 0.620 -1.294) 1.706 12.817 ( -0.923 0.620 1.294) 1.706 12.866 ( -0.099 0.329 -0.554) 0.652 12.866 ( 0.099 0.329 0.554) 0.652 12.960 ( -0.368 -0.265 -0.044) 0.456 12.960 ( 0.368 -0.265 0.044) 0.456 13.371 ( 0.024 -0.009 -0.141) 0.143 13.371 ( -0.024 -0.009 0.141) 0.143 13.403 ( 0.581 0.088 -0.910) 1.083 13.403 ( -0.581 0.088 0.910) 1.083 13.949 ( -1.201 0.361 -0.428) 1.325 13.949 ( 1.201 0.361 0.428) 1.325 14.024 ( -0.306 -0.458 -1.019) 1.158 14.024 ( 0.306 -0.458 1.019) 1.158 14.320 ( -0.011 0.155 -0.839) 0.853 14.320 ( 0.011 0.155 0.839) 0.853 14.350 ( -0.016 -0.164 -0.477) 0.505 14.350 ( 0.016 -0.164 0.477) 0.505 ======================= Grid point 147 (76/84) ======================= q-point: ( 0.11 0.25 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( 7.738 4.059 -24.430) 25.946 1.756 ( -0.462 9.030 -24.838) 26.433 2.179 ( 2.787 -9.863 -2.583) 10.569 2.267 ( 0.810 -7.687 1.587) 7.891 2.339 ( 2.849 -3.938 7.811) 9.200 2.560 ( 2.506 4.189 15.165) 15.931 2.583 ( 7.910 -6.914 0.349) 10.512 2.726 ( 4.642 2.586 -2.437) 5.846 2.826 ( 7.629 8.811 -8.394) 14.363 2.894 ( -6.109 4.168 -1.453) 7.537 2.996 ( 4.509 4.389 3.902) 7.404 3.070 ( -1.002 6.639 1.825) 6.958 3.301 ( -2.168 -4.625 -4.018) 6.498 3.365 ( -1.153 -8.438 -4.381) 9.577 3.493 ( -0.032 0.163 3.595) 3.598 3.516 ( -2.563 -0.448 -2.084) 3.333 3.580 ( -0.335 -5.153 2.867) 5.907 3.629 ( -1.881 -1.137 -2.383) 3.242 3.724 ( 1.373 -0.719 2.726) 3.136 3.790 ( -2.137 -5.120 1.964) 5.885 3.951 ( -2.817 5.843 7.859) 10.191 4.023 ( -1.006 4.778 -0.584) 4.917 4.138 ( 0.898 -2.292 -1.557) 2.913 4.219 ( 6.046 2.310 1.465) 6.636 4.295 ( -1.804 -1.973 -7.827) 8.271 4.389 ( -0.702 -2.643 -1.727) 3.234 4.555 ( -1.209 2.303 7.417) 7.860 4.597 ( -0.830 1.583 -0.900) 2.001 4.694 ( -1.803 -1.138 -4.159) 4.674 4.818 ( -1.438 -3.781 0.536) 4.081 4.876 ( -1.924 3.233 4.446) 5.825 4.993 ( 1.282 -3.515 2.756) 4.647 5.190 ( -1.479 4.808 -0.407) 5.047 5.291 ( 2.478 3.137 4.214) 5.808 5.569 ( -1.753 -0.252 -2.590) 3.138 5.605 ( -4.108 -1.313 -1.482) 4.561 5.642 ( -0.691 2.731 -1.560) 3.220 5.827 ( 0.206 -3.877 -0.709) 3.946 5.846 ( -0.931 -1.030 -2.922) 3.235 5.902 ( 0.705 -2.839 0.692) 3.006 6.041 ( 0.672 4.713 0.353) 4.774 6.073 ( 2.176 1.924 -0.151) 2.909 6.204 ( -0.846 -0.316 0.905) 1.278 6.240 ( 0.833 -0.875 3.217) 3.436 6.390 ( -1.259 2.623 -4.687) 5.517 6.500 ( 0.207 -1.028 -2.014) 2.271 6.589 ( -0.580 -3.225 0.777) 3.368 6.593 ( -0.278 -1.861 0.208) 1.893 6.801 ( -1.181 5.046 1.537) 5.405 6.840 ( 1.213 3.840 0.818) 4.109 7.063 ( -1.352 -4.052 2.672) 5.039 7.082 ( 1.812 -3.951 0.084) 4.347 7.322 ( 0.780 0.980 -0.384) 1.310 7.382 ( 0.321 0.376 2.257) 2.310 7.452 ( 1.416 0.628 -1.122) 1.913 7.533 ( 0.865 -1.318 3.054) 3.437 7.937 ( -2.947 2.090 -1.693) 3.990 8.011 ( 1.612 0.020 -2.972) 3.381 8.269 ( -0.006 0.740 -0.141) 0.753 8.357 ( 1.240 -1.875 2.940) 3.701 11.160 ( 0.865 -0.745 -2.913) 3.129 11.181 ( -0.777 -1.621 0.451) 1.854 11.341 ( -0.433 1.991 1.726) 2.670 11.363 ( 0.829 0.923 1.668) 2.079 11.598 ( -1.168 -0.080 0.826) 1.433 11.619 ( 0.474 -0.756 -0.047) 0.893 11.836 ( -0.342 0.283 -0.049) 0.447 11.850 ( 0.420 -0.171 0.227) 0.507 12.324 ( -0.528 1.496 0.311) 1.617 12.348 ( 1.517 0.456 -1.072) 1.913 12.364 ( 0.173 -0.240 -0.824) 0.876 12.391 ( -0.530 -0.684 1.242) 1.514 12.563 ( -0.107 -0.490 -0.943) 1.068 12.576 ( 0.554 -0.478 -1.414) 1.592 12.601 ( -0.365 0.128 -0.607) 0.720 12.620 ( -0.543 0.028 -0.210) 0.583 12.628 ( -0.699 -0.845 0.609) 1.255 12.653 ( -0.105 -0.741 0.981) 1.234 12.810 ( -0.055 0.546 -0.552) 0.779 12.820 ( -0.375 0.587 0.479) 0.845 12.860 ( -0.056 0.504 0.220) 0.553 12.882 ( 0.822 0.079 0.389) 0.913 12.960 ( 0.063 -0.271 0.380) 0.471 12.972 ( 0.733 -0.240 0.395) 0.867 13.363 ( 0.170 0.043 -1.143) 1.157 13.366 ( 0.048 -0.097 -0.686) 0.695 13.410 ( 0.791 0.205 0.092) 0.822 13.416 ( -0.103 0.037 1.460) 1.464 13.925 ( -1.162 0.744 -0.146) 1.388 13.966 ( 0.718 -0.645 -0.725) 1.207 14.020 ( 0.171 0.284 1.075) 1.125 14.049 ( 0.394 -0.773 1.896) 2.085 14.299 ( -0.455 0.418 -1.611) 1.726 14.318 ( -0.534 -0.235 -0.437) 0.729 14.345 ( 0.096 0.140 -0.323) 0.365 14.356 ( -0.110 -0.146 0.381) 0.422 ======================= Grid point 148 (77/84) ======================= q-point: ( 0.22 0.25 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( 13.771 11.014 -16.060) 23.851 1.599 ( 16.689 6.227 -19.516) 26.423 2.189 ( 6.485 -13.256 -3.889) 15.261 2.248 ( 5.964 -16.481 -6.135) 18.570 2.575 ( 2.744 -1.642 10.963) 11.420 2.627 ( -3.531 0.743 -3.236) 4.847 2.695 ( 16.270 14.917 -15.410) 26.921 2.795 ( -0.887 2.174 7.167) 7.542 2.833 ( -1.903 -1.390 5.131) 5.647 2.940 ( 8.930 7.355 2.172) 11.771 3.048 ( 0.792 3.074 -1.804) 3.651 3.105 ( 2.225 3.401 -2.388) 4.713 3.226 ( 3.118 0.102 -0.128) 3.123 3.319 ( -3.158 -6.530 -0.629) 7.280 3.477 ( -1.175 -3.552 -1.032) 3.881 3.509 ( -0.871 -1.763 1.822) 2.681 3.583 ( -0.511 -2.288 -1.238) 2.651 3.597 ( -1.829 -3.709 4.371) 6.017 3.696 ( -2.871 -3.948 -0.560) 4.913 3.789 ( -3.194 -2.306 5.198) 6.522 3.974 ( -3.290 3.774 0.773) 5.066 4.038 ( -3.287 4.195 4.488) 6.967 4.121 ( -0.961 -5.226 -2.658) 5.941 4.177 ( -5.047 0.554 1.986) 5.452 4.326 ( 8.001 3.275 -2.910) 9.122 4.415 ( 1.915 -1.611 -0.290) 2.519 4.494 ( -5.751 2.860 -2.020) 6.733 4.532 ( -0.169 -3.518 -5.687) 6.690 4.685 ( -1.918 1.477 2.506) 3.485 4.756 ( -5.004 -1.666 -1.345) 5.443 4.946 ( -0.694 5.019 6.857) 8.526 5.039 ( 0.286 -4.427 3.067) 5.393 5.170 ( -0.976 4.966 0.614) 5.098 5.397 ( 0.627 6.522 3.963) 7.657 5.454 ( -4.538 -1.892 -3.524) 6.049 5.566 ( -0.025 -1.110 -5.425) 5.538 5.596 ( 0.135 0.256 0.393) 0.488 5.757 ( -2.996 -4.166 -0.318) 5.141 5.848 ( 0.595 0.208 1.534) 1.659 5.945 ( 2.876 -1.968 -1.221) 3.693 6.030 ( 0.183 3.338 -1.809) 3.801 6.097 ( -0.233 2.153 -0.273) 2.183 6.205 ( -0.879 1.270 1.347) 2.049 6.309 ( 1.800 -0.390 1.351) 2.284 6.335 ( 0.509 -0.741 -0.182) 0.918 6.440 ( -1.106 -3.307 -4.560) 5.740 6.586 ( -0.558 -0.671 0.146) 0.885 6.597 ( -0.834 -3.403 2.085) 4.077 6.804 ( -1.046 6.441 1.393) 6.673 6.841 ( -1.372 3.990 -0.854) 4.305 7.069 ( -1.653 -3.940 1.460) 4.515 7.104 ( 1.404 -3.584 -0.967) 3.969 7.357 ( 1.492 0.231 2.651) 3.051 7.415 ( 1.912 -1.241 1.315) 2.631 7.496 ( 2.225 2.433 1.918) 3.814 7.583 ( 0.559 -0.855 2.340) 2.553 7.869 ( -2.080 1.864 -2.089) 3.488 7.981 ( 0.623 -2.005 -3.669) 4.227 8.293 ( 1.928 2.184 1.031) 3.091 8.408 ( 0.330 -1.856 2.680) 3.277 11.138 ( 1.307 -0.463 -2.626) 2.969 11.172 ( -0.578 -1.815 -0.111) 1.908 11.363 ( -0.292 2.896 2.176) 3.634 11.401 ( 0.490 1.098 2.232) 2.535 11.599 ( -0.566 -0.766 1.378) 1.675 11.625 ( 0.195 -1.609 0.099) 1.624 11.826 ( -0.444 0.896 -0.486) 1.112 11.855 ( 0.009 -0.223 -0.119) 0.253 12.321 ( -0.224 1.650 -0.047) 1.665 12.342 ( 0.567 0.401 -1.765) 1.896 12.371 ( 0.979 -0.506 -0.259) 1.132 12.394 ( -0.737 -0.578 0.899) 1.299 12.541 ( -0.412 -0.417 -1.669) 1.769 12.560 ( 0.076 -0.497 -1.725) 1.797 12.595 ( 0.189 -0.252 0.290) 0.428 12.609 ( -0.637 -0.518 -0.161) 0.836 12.628 ( -0.068 0.334 0.594) 0.685 12.659 ( -0.495 -0.428 0.626) 0.905 12.803 ( 0.113 0.514 -0.526) 0.744 12.819 ( -0.628 0.494 0.579) 0.987 12.868 ( 0.238 0.537 0.668) 0.889 12.900 ( 0.693 -0.111 0.331) 0.776 12.972 ( 0.437 -0.298 0.784) 0.946 12.993 ( 0.925 -0.337 0.658) 1.184 13.350 ( 0.311 0.062 -1.291) 1.329 13.357 ( 0.105 -0.249 -0.839) 0.882 13.425 ( 0.657 0.301 0.202) 0.750 13.433 ( -0.019 0.081 1.127) 1.130 13.908 ( -1.003 0.713 0.286) 1.264 13.954 ( -0.092 -0.877 -1.309) 1.578 14.056 ( 1.058 0.263 2.423) 2.657 14.086 ( 0.406 -0.946 2.502) 2.705 14.266 ( -0.471 0.699 -2.010) 2.180 14.295 ( -0.739 -0.410 -1.363) 1.604 14.343 ( 0.153 0.394 -0.315) 0.527 14.357 ( -0.292 -0.102 0.324) 0.448 ======================= Grid point 149 (78/84) ======================= q-point: ( 0.33 0.25 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( 22.100 4.794 -9.330) 24.463 1.757 ( 22.855 8.788 -4.342) 24.868 2.279 ( 9.541 -9.327 -1.029) 13.382 2.301 ( 4.676 -12.335 -3.472) 13.641 2.509 ( -2.614 1.070 -2.380) 3.693 2.635 ( -1.091 -4.809 -0.661) 4.975 2.673 ( -11.186 1.130 -0.928) 11.282 2.795 ( -2.620 -0.964 2.182) 3.543 2.949 ( 18.790 10.644 -5.294) 22.235 3.043 ( 2.227 3.610 -3.507) 5.504 3.088 ( 4.818 2.532 -1.549) 5.658 3.170 ( 0.207 0.197 5.781) 5.788 3.246 ( 0.544 -2.634 -5.464) 6.090 3.306 ( 7.217 -0.690 1.998) 7.520 3.440 ( -1.085 -3.322 -0.740) 3.572 3.544 ( 2.195 1.215 0.209) 2.517 3.607 ( 1.544 1.117 5.502) 5.823 3.632 ( -3.117 -5.439 2.704) 6.827 3.713 ( -0.328 1.830 8.710) 8.906 3.819 ( -1.827 -1.300 4.562) 5.083 3.918 ( -3.840 2.203 -2.021) 4.867 3.982 ( -4.062 3.947 0.611) 5.696 4.040 ( -4.669 -4.970 -0.086) 6.819 4.140 ( -3.501 -4.342 -1.837) 5.873 4.366 ( -4.740 1.498 -0.584) 5.005 4.370 ( -3.824 3.477 -1.485) 5.377 4.414 ( 4.428 1.299 -1.733) 4.930 4.524 ( 0.357 -3.518 0.349) 3.554 4.609 ( -2.524 -1.351 -5.473) 6.176 4.672 ( -4.820 -0.961 -0.395) 4.931 4.994 ( -2.213 6.116 3.887) 7.577 5.074 ( -1.611 -2.562 3.056) 4.301 5.161 ( -1.562 1.732 -2.246) 3.238 5.317 ( -3.117 -1.053 -9.224) 9.793 5.386 ( -0.567 5.540 4.343) 7.062 5.573 ( 1.403 0.610 1.200) 1.944 5.601 ( 0.903 -2.261 -1.224) 2.725 5.754 ( -0.967 -3.724 3.073) 4.924 5.887 ( 0.588 1.006 1.733) 2.088 5.949 ( 1.205 0.222 -1.307) 1.792 6.023 ( 1.580 1.826 -2.111) 3.208 6.057 ( -1.707 1.498 -2.000) 3.026 6.205 ( -0.596 3.594 0.651) 3.701 6.299 ( -0.850 0.068 -1.388) 1.629 6.373 ( 1.497 -4.312 -3.035) 5.482 6.407 ( -0.092 -3.564 3.519) 5.010 6.585 ( -0.320 0.495 0.942) 1.111 6.619 ( -0.034 -3.429 1.883) 3.912 6.787 ( -2.406 5.462 -1.554) 6.167 6.799 ( -0.973 6.019 0.122) 6.099 7.058 ( -1.709 -3.457 1.641) 4.191 7.104 ( 2.093 -3.517 -2.983) 5.064 7.427 ( 1.134 0.112 3.991) 4.150 7.474 ( 2.237 -0.747 1.350) 2.718 7.553 ( 1.971 1.416 1.384) 2.794 7.610 ( -0.293 -0.292 1.553) 1.607 7.824 ( -0.727 1.264 -0.994) 1.765 7.935 ( -0.618 -2.511 -3.367) 4.245 8.348 ( 2.639 1.658 1.299) 3.376 8.436 ( -0.622 -1.436 1.687) 2.301 11.134 ( 1.767 -0.501 -1.832) 2.594 11.162 ( -0.637 -1.610 0.042) 1.731 11.388 ( -0.097 3.404 2.098) 4.000 11.432 ( -0.042 1.636 1.506) 2.224 11.614 ( -0.375 -1.866 1.770) 2.599 11.630 ( 0.592 -2.408 -0.156) 2.484 11.816 ( -0.018 1.319 -0.299) 1.352 11.847 ( -0.387 0.113 -0.624) 0.743 12.312 ( -0.499 1.852 -0.273) 1.938 12.325 ( 0.412 0.820 -1.783) 2.005 12.382 ( 0.874 -0.914 -0.320) 1.305 12.394 ( -0.589 -0.594 0.730) 1.111 12.512 ( -0.460 -0.526 -1.377) 1.544 12.533 ( -0.715 -0.695 -1.434) 1.746 12.601 ( -0.139 0.185 0.168) 0.286 12.612 ( 0.669 -0.294 0.372) 0.820 12.635 ( 0.290 0.163 0.149) 0.365 12.658 ( -0.444 -0.162 0.617) 0.777 12.801 ( 0.365 0.552 -0.341) 0.745 12.816 ( -0.675 0.521 0.547) 1.013 12.883 ( 0.300 0.491 0.778) 0.967 12.911 ( 0.298 0.006 0.059) 0.304 12.994 ( 0.670 -0.506 1.040) 1.337 13.016 ( 0.732 -0.555 0.577) 1.085 13.339 ( 0.358 -0.025 -1.150) 1.204 13.347 ( -0.053 -0.392 -0.789) 0.883 13.436 ( 0.404 0.351 0.141) 0.553 13.443 ( -0.122 0.180 0.599) 0.637 13.901 ( -0.656 0.373 0.638) 0.988 13.935 ( -0.258 -0.783 -1.096) 1.372 14.111 ( 1.347 0.017 2.785) 3.093 14.126 ( 0.271 -0.729 2.635) 2.747 14.232 ( -0.268 0.911 -2.143) 2.344 14.262 ( -0.770 -0.360 -1.772) 1.965 14.341 ( 0.090 0.316 -0.248) 0.412 14.354 ( -0.429 -0.123 0.088) 0.455 ======================= Grid point 150 (79/84) ======================= q-point: ( 0.44 0.25 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( 20.028 2.748 -3.406) 20.500 2.072 ( 17.384 6.121 0.173) 18.432 2.222 ( -9.179 -2.818 0.310) 9.607 2.374 ( -11.896 2.641 -5.368) 13.316 2.474 ( 12.848 -7.643 -0.543) 14.959 2.553 ( 1.424 0.494 4.461) 4.709 2.628 ( -5.540 -7.414 -0.133) 9.256 2.696 ( -9.699 -3.779 1.688) 10.545 3.022 ( 2.792 -4.814 -1.210) 5.695 3.066 ( -0.539 -5.322 -1.228) 5.488 3.169 ( -0.375 0.782 -0.905) 1.253 3.180 ( 0.385 -0.099 -2.071) 2.109 3.330 ( 18.024 6.672 0.778) 19.235 3.427 ( 7.213 4.452 -1.939) 8.695 3.444 ( 0.011 2.413 -0.621) 2.492 3.587 ( -0.480 1.024 1.631) 1.985 3.646 ( 0.837 2.498 4.140) 4.907 3.722 ( -1.100 2.403 2.242) 3.465 3.743 ( -5.771 1.398 0.446) 5.954 3.804 ( -1.602 1.664 2.205) 3.193 3.848 ( -4.474 -0.438 1.703) 4.808 3.901 ( -2.672 -1.142 -2.779) 4.021 4.037 ( 1.898 -5.225 1.498) 5.758 4.069 ( -1.410 -5.305 0.035) 5.489 4.292 ( -2.441 2.773 -0.611) 3.744 4.295 ( -3.344 1.709 0.369) 3.773 4.462 ( 1.811 0.982 -1.196) 2.382 4.482 ( -1.438 1.476 0.159) 2.067 4.561 ( -0.830 -1.889 -0.972) 2.280 4.569 ( -2.786 -1.731 -3.376) 4.707 5.009 ( -1.462 3.934 3.669) 5.575 5.054 ( -1.396 2.252 -2.943) 3.961 5.104 ( -1.815 -3.393 2.472) 4.573 5.162 ( -0.920 -0.610 -7.392) 7.474 5.515 ( 3.962 0.194 5.938) 7.140 5.581 ( -1.584 0.721 0.745) 1.893 5.614 ( 3.133 -0.912 -0.334) 3.280 5.723 ( -3.884 -3.607 -3.654) 6.438 5.918 ( 0.003 1.405 3.785) 4.038 5.961 ( 1.107 0.331 -1.884) 2.210 6.020 ( 0.553 3.029 -0.437) 3.110 6.027 ( 0.376 2.923 -0.745) 3.040 6.210 ( 0.509 2.636 0.648) 2.762 6.250 ( -2.207 1.156 -1.627) 2.976 6.381 ( 3.345 -5.096 -1.633) 6.311 6.417 ( -3.309 -4.990 1.928) 6.291 6.606 ( 1.668 0.655 0.350) 1.826 6.631 ( -1.201 -1.612 0.769) 2.152 6.754 ( -0.170 6.241 0.329) 6.252 6.776 ( -1.140 5.266 -0.857) 5.456 7.069 ( -1.566 -3.053 3.703) 5.048 7.093 ( 2.348 -3.344 -4.169) 5.837 7.483 ( 0.496 0.492 2.161) 2.271 7.501 ( 0.255 0.584 -0.243) 0.682 7.599 ( 2.286 -0.638 0.167) 2.379 7.619 ( -1.286 -0.750 1.501) 2.115 7.823 ( 0.538 0.332 1.238) 1.390 7.872 ( -1.307 -1.297 -3.290) 3.770 8.402 ( 2.173 0.401 0.723) 2.325 8.433 ( -1.420 -0.675 0.417) 1.627 11.142 ( 1.577 -0.777 -1.125) 2.087 11.152 ( -1.038 -1.179 0.519) 1.655 11.416 ( 0.427 3.104 1.531) 3.488 11.436 ( -0.538 2.376 -0.104) 2.438 11.629 ( -0.716 -2.672 1.740) 3.268 11.636 ( 0.859 -2.802 -1.034) 3.107 11.819 ( 0.336 1.183 0.274) 1.260 11.831 ( -0.402 0.721 -0.636) 1.042 12.303 ( -0.555 1.884 0.436) 2.012 12.309 ( 0.379 1.447 -1.455) 2.087 12.390 ( 0.700 -1.019 -0.351) 1.285 12.394 ( -0.543 -0.840 0.536) 1.135 12.496 ( 0.118 -0.788 -0.347) 0.869 12.506 ( -0.688 -0.895 -0.695) 1.326 12.606 ( -0.097 0.826 0.762) 1.128 12.615 ( 0.308 0.692 -0.923) 1.194 12.647 ( 0.478 -0.646 0.580) 0.991 12.658 ( -0.363 -0.503 0.103) 0.629 12.805 ( 0.625 0.597 -0.250) 0.900 12.812 ( -0.691 0.583 0.403) 0.990 12.898 ( 0.350 0.467 0.665) 0.884 12.910 ( -0.166 0.307 -0.357) 0.499 13.017 ( 0.530 -0.745 0.803) 1.217 13.027 ( 0.089 -0.750 -0.047) 0.757 13.333 ( 0.364 -0.215 -0.568) 0.708 13.336 ( -0.278 -0.385 -0.300) 0.562 13.442 ( 0.283 0.347 0.034) 0.449 13.445 ( -0.231 0.283 0.191) 0.413 13.905 ( -0.167 -0.157 0.853) 0.884 13.917 ( -0.181 -0.595 -0.955) 1.140 14.163 ( 0.176 0.025 2.644) 2.650 14.171 ( 1.359 -0.108 2.491) 2.839 14.199 ( -0.210 0.741 -2.295) 2.421 14.222 ( -1.016 -0.222 -2.173) 2.409 14.341 ( 0.211 0.032 -0.052) 0.219 14.347 ( -0.421 -0.135 -0.073) 0.448 ======================= Grid point 155 (80/84) ======================= q-point: ( 0.00 -0.50 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( -0.000 -0.000 0.000) 0.000 2.020 ( -0.000 0.000 0.000) 0.000 2.150 ( -0.000 0.000 0.000) 0.000 2.150 ( -0.000 0.000 0.000) 0.000 2.295 ( 0.000 0.000 0.000) 0.000 2.295 ( -0.000 0.000 0.000) 0.000 2.464 ( 0.000 -0.000 -0.000) 0.000 2.464 ( -0.000 0.000 0.000) 0.000 2.996 ( 0.000 0.000 0.000) 0.000 2.996 ( -0.000 0.000 0.000) 0.000 3.111 ( -0.000 0.000 0.000) 0.000 3.111 ( 0.000 0.000 0.000) 0.000 3.350 ( -0.000 -0.000 -0.000) 0.000 3.350 ( 0.000 -0.000 0.000) 0.000 3.369 ( -0.000 -0.000 -0.000) 0.000 3.369 ( 0.000 0.000 0.000) 0.000 3.685 ( -0.000 0.000 -0.000) 0.000 3.685 ( -0.000 0.000 0.000) 0.000 3.720 ( -0.000 0.000 -0.000) 0.000 3.720 ( 0.000 0.000 0.000) 0.000 4.044 ( 0.000 0.000 -0.000) 0.000 4.044 ( 0.000 0.000 0.000) 0.000 4.093 ( -0.000 -0.000 0.000) 0.000 4.093 ( -0.000 0.000 0.000) 0.000 4.446 ( -0.000 -0.000 -0.000) 0.000 4.446 ( 0.000 0.000 0.000) 0.000 4.482 ( -0.000 0.000 -0.000) 0.000 4.482 ( -0.000 0.000 0.000) 0.000 4.747 ( -0.000 0.000 0.000) 0.000 4.747 ( -0.000 0.000 0.000) 0.000 4.926 ( 0.000 0.000 0.000) 0.000 4.926 ( -0.000 -0.000 0.000) 0.000 5.285 ( -0.000 -0.000 0.000) 0.000 5.285 ( -0.000 0.000 0.000) 0.000 5.631 ( -0.000 0.000 0.000) 0.000 5.631 ( 0.000 0.000 0.000) 0.000 5.699 ( 0.000 -0.000 0.000) 0.000 5.699 ( -0.000 0.000 0.000) 0.000 5.881 ( -0.000 0.000 0.000) 0.000 5.881 ( -0.000 0.000 0.000) 0.000 6.091 ( -0.000 -0.000 -0.000) 0.000 6.091 ( 0.000 0.000 0.000) 0.000 6.195 ( -0.000 0.000 0.000) 0.000 6.195 ( -0.000 0.000 0.000) 0.000 6.503 ( -0.000 0.000 -0.000) 0.000 6.503 ( 0.000 0.000 -0.000) 0.000 6.541 ( 0.000 0.000 0.000) 0.000 6.541 ( -0.000 0.000 0.000) 0.000 6.928 ( 0.000 -0.000 0.000) 0.000 6.928 ( -0.000 -0.000 0.000) 0.000 6.941 ( -0.000 0.000 0.000) 0.000 6.941 ( -0.000 0.000 0.000) 0.000 7.365 ( -0.000 -0.000 0.000) 0.000 7.365 ( -0.000 0.000 0.000) 0.000 7.461 ( -0.000 -0.000 0.000) 0.000 7.461 ( -0.000 0.000 0.000) 0.000 8.022 ( -0.000 0.000 0.000) 0.000 8.022 ( -0.000 0.000 0.000) 0.000 8.280 ( -0.000 0.000 0.000) 0.000 8.280 ( -0.000 0.000 0.000) 0.000 11.165 ( -0.000 0.000 0.000) 0.000 11.165 ( 0.000 0.000 0.000) 0.000 11.354 ( -0.000 -0.000 0.000) 0.000 11.354 ( -0.000 0.000 0.000) 0.000 11.607 ( -0.000 0.000 0.000) 0.000 11.607 ( 0.000 0.000 0.000) 0.000 11.841 ( 0.000 0.000 0.000) 0.000 11.841 ( -0.000 0.000 0.000) 0.000 12.357 ( -0.000 -0.000 0.000) 0.000 12.357 ( -0.000 0.000 0.000) 0.000 12.362 ( 0.000 -0.000 -0.000) 0.000 12.362 ( -0.000 0.000 0.000) 0.000 12.570 ( -0.000 0.000 -0.000) 0.000 12.570 ( -0.000 0.000 0.000) 0.000 12.614 ( -0.000 0.000 0.000) 0.000 12.614 ( -0.000 0.000 0.000) 0.000 12.629 ( 0.000 0.000 0.000) 0.000 12.629 ( 0.000 0.000 0.000) 0.000 12.827 ( 0.000 0.000 0.000) 0.000 12.827 ( -0.000 0.000 0.000) 0.000 12.870 ( -0.000 -0.000 0.000) 0.000 12.870 ( 0.000 0.000 0.000) 0.000 12.956 ( 0.000 0.000 0.000) 0.000 12.956 ( -0.000 0.000 0.000) 0.000 13.371 ( -0.000 0.000 0.000) 0.000 13.371 ( -0.000 0.000 0.000) 0.000 13.404 ( 0.000 0.000 0.000) 0.000 13.404 ( -0.000 0.000 0.000) 0.000 13.954 ( -0.000 0.000 0.000) 0.000 13.954 ( -0.000 0.000 0.000) 0.000 14.017 ( 0.000 0.000 0.000) 0.000 14.017 ( 0.000 0.000 0.000) 0.000 14.322 ( -0.000 0.000 0.000) 0.000 14.322 ( 0.000 0.000 0.000) 0.000 14.348 ( -0.000 -0.000 -0.000) 0.000 14.348 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 159 (81/84) ======================= q-point: ( 0.11 -0.50 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( 5.330 -11.627 -15.478) 20.079 1.890 ( 5.330 11.627 -15.478) 20.079 2.014 ( -1.367 -11.630 -16.150) 19.948 2.014 ( -1.367 11.630 -16.150) 19.948 2.402 ( 5.646 -7.368 10.989) 14.385 2.402 ( 5.646 7.368 10.989) 14.385 2.671 ( 4.488 -5.020 12.301) 14.024 2.671 ( 4.488 5.020 12.301) 14.024 2.997 ( -1.638 -4.327 -0.975) 4.728 2.997 ( -1.638 4.327 -0.975) 4.728 3.116 ( 3.632 -3.990 -1.274) 5.544 3.116 ( 3.632 3.990 -1.274) 5.544 3.244 ( -1.000 -2.221 -4.727) 5.317 3.244 ( -1.000 2.221 -4.727) 5.317 3.457 ( 0.468 -1.936 3.997) 4.466 3.457 ( 0.468 1.936 3.997) 4.466 3.574 ( -1.630 -4.124 -9.653) 10.622 3.574 ( -1.630 4.124 -9.653) 10.622 3.719 ( -2.935 -2.034 1.915) 4.052 3.719 ( -2.935 2.034 1.915) 4.052 4.058 ( -0.526 -4.150 1.202) 4.352 4.058 ( -0.526 4.150 1.202) 4.352 4.155 ( 0.533 -6.175 4.720) 7.791 4.155 ( 0.533 6.175 4.720) 7.791 4.334 ( 1.438 -2.731 -5.686) 6.470 4.334 ( 1.438 2.731 -5.686) 6.470 4.596 ( -0.368 -1.659 1.842) 2.507 4.596 ( -0.368 1.659 1.842) 2.507 4.728 ( -1.507 -3.481 2.458) 4.520 4.728 ( -1.507 3.481 2.458) 4.520 4.934 ( -0.768 -2.275 2.567) 3.514 4.934 ( -0.768 2.275 2.567) 3.514 5.297 ( 0.519 -3.199 1.507) 3.574 5.297 ( 0.519 3.199 1.507) 3.574 5.574 ( -2.506 -0.900 -2.182) 3.443 5.574 ( -2.506 0.900 -2.182) 3.443 5.724 ( 0.102 -4.753 -1.236) 4.912 5.724 ( 0.102 4.753 -1.236) 4.912 5.851 ( -1.430 -1.451 0.089) 2.039 5.851 ( -1.430 1.451 0.089) 2.039 6.106 ( 1.261 -0.424 0.083) 1.333 6.106 ( 1.261 0.424 0.083) 1.333 6.211 ( -0.134 -1.275 2.471) 2.784 6.211 ( -0.134 1.275 2.471) 2.784 6.447 ( -0.745 -2.895 -5.132) 5.939 6.447 ( -0.745 2.895 -5.132) 5.939 6.559 ( -0.363 -0.766 1.186) 1.458 6.559 ( -0.363 0.766 1.186) 1.458 6.943 ( -0.346 -3.469 0.694) 3.555 6.943 ( -0.346 3.469 0.694) 3.555 6.958 ( 1.390 -3.510 1.791) 4.179 6.958 ( 1.390 3.510 1.791) 4.179 7.356 ( 0.488 -1.882 -0.831) 2.114 7.356 ( 0.488 1.882 -0.831) 2.114 7.493 ( 1.144 -2.275 2.639) 3.667 7.493 ( 1.144 2.275 2.639) 3.667 7.988 ( -1.434 -2.086 -2.695) 3.698 7.988 ( -1.434 2.086 -2.695) 3.698 8.306 ( 1.200 -2.430 1.807) 3.258 8.306 ( 1.200 2.430 1.807) 3.258 11.156 ( 0.032 -0.523 -1.194) 1.304 11.156 ( 0.032 0.523 -1.194) 1.304 11.371 ( 0.479 -0.473 1.819) 1.939 11.371 ( 0.479 0.473 1.819) 1.939 11.603 ( -0.631 -0.575 0.148) 0.866 11.603 ( -0.631 0.575 0.148) 0.866 11.844 ( 0.147 -0.364 0.118) 0.409 11.844 ( 0.147 0.364 0.118) 0.409 12.355 ( 0.554 -0.572 -0.908) 1.208 12.355 ( 0.554 0.572 -0.908) 1.208 12.365 ( -0.280 -1.375 0.684) 1.561 12.365 ( -0.280 1.375 0.684) 1.561 12.563 ( 0.085 -0.507 -1.097) 1.211 12.563 ( 0.085 0.507 -1.097) 1.211 12.607 ( -0.491 -0.573 -0.336) 0.826 12.607 ( -0.491 0.573 -0.336) 0.826 12.634 ( -0.068 -0.827 0.720) 1.099 12.634 ( -0.068 0.827 0.720) 1.099 12.823 ( -0.305 -0.403 -0.021) 0.505 12.823 ( -0.305 0.403 -0.021) 0.505 12.874 ( 0.326 -0.706 0.261) 0.820 12.874 ( 0.326 0.706 0.261) 0.820 12.963 ( 0.463 -0.471 0.369) 0.757 12.963 ( 0.463 0.471 0.369) 0.757 13.364 ( 0.128 -0.090 -0.975) 0.988 13.364 ( 0.128 0.090 -0.975) 0.988 13.415 ( 0.350 -0.135 0.830) 0.911 13.415 ( 0.350 0.135 0.830) 0.911 13.946 ( -0.450 -1.078 -0.506) 1.273 13.946 ( -0.450 1.078 -0.506) 1.273 14.031 ( 0.377 -0.767 1.525) 1.749 14.031 ( 0.377 0.767 1.525) 1.749 14.310 ( -0.475 -0.522 -1.100) 1.307 14.310 ( -0.475 0.522 -1.100) 1.307 14.350 ( 0.068 -0.294 0.173) 0.348 14.350 ( 0.068 0.294 0.173) 0.348 ======================= Grid point 161 (82/84) ======================= q-point: ( 0.22 -0.50 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( 9.826 -4.986 -13.069) 17.094 1.837 ( 9.826 4.986 -13.069) 17.094 1.886 ( 11.862 -5.472 -10.133) 16.533 1.886 ( 11.862 5.472 -10.133) 16.533 2.590 ( 1.854 -2.818 4.334) 5.492 2.590 ( 1.854 2.818 4.334) 5.492 2.818 ( -5.013 -1.176 4.100) 6.582 2.818 ( -5.013 1.176 4.100) 6.582 2.969 ( 5.989 -7.684 1.973) 9.940 2.969 ( 5.989 7.684 1.973) 9.940 3.173 ( 5.170 -4.622 -4.434) 8.231 3.173 ( 5.170 4.622 -4.434) 8.231 3.218 ( 1.324 -1.063 -1.612) 2.342 3.218 ( 1.324 1.063 -1.612) 2.342 3.426 ( 1.302 -3.263 -5.984) 6.939 3.426 ( 1.302 3.263 -5.984) 6.939 3.517 ( -0.072 -2.051 3.436) 4.002 3.517 ( -0.072 2.051 3.436) 4.002 3.713 ( -3.327 -4.083 5.654) 7.727 3.713 ( -3.327 4.083 5.654) 7.727 4.030 ( -3.162 -2.955 -0.921) 4.425 4.030 ( -3.162 2.955 -0.921) 4.425 4.154 ( -6.202 -3.470 3.408) 7.882 4.154 ( -6.202 3.470 3.408) 7.882 4.379 ( 7.667 -2.354 -2.098) 8.290 4.379 ( 7.667 2.354 -2.098) 8.290 4.515 ( -2.616 -2.061 -5.961) 6.829 4.515 ( -2.616 2.061 -5.961) 6.829 4.716 ( -4.788 -1.422 0.572) 5.028 4.716 ( -4.788 1.422 0.572) 5.028 4.995 ( -0.673 -0.529 7.152) 7.203 4.995 ( -0.673 0.529 7.152) 7.203 5.323 ( -0.454 -7.373 0.030) 7.387 5.323 ( -0.454 7.373 0.030) 7.387 5.529 ( -0.279 -2.898 -1.495) 3.273 5.529 ( -0.279 2.898 -1.495) 3.273 5.650 ( -3.263 -4.885 -1.541) 6.073 5.650 ( -3.263 4.885 -1.541) 6.073 5.880 ( 1.805 -2.630 1.944) 3.735 5.880 ( 1.805 2.630 1.944) 3.735 6.103 ( -1.063 -2.021 -0.970) 2.481 6.103 ( -1.063 2.021 -0.970) 2.481 6.263 ( 1.072 -2.869 3.763) 4.852 6.263 ( 1.072 2.869 3.763) 4.852 6.361 ( -0.694 -3.210 -5.471) 6.381 6.361 ( -0.694 3.210 -5.471) 6.381 6.564 ( -0.567 -0.618 1.191) 1.457 6.564 ( -0.567 0.618 1.191) 1.457 6.934 ( -1.396 -1.514 -0.205) 2.070 6.934 ( -1.396 1.514 -0.205) 2.070 6.995 ( 1.068 -2.925 0.227) 3.122 6.995 ( 1.068 2.925 0.227) 3.122 7.380 ( 2.111 -1.654 1.368) 3.011 7.380 ( 2.111 1.654 1.368) 3.011 7.550 ( 0.973 -2.138 2.804) 3.658 7.550 ( 0.973 2.138 2.804) 3.658 7.924 ( -1.228 -2.912 -3.158) 4.468 7.924 ( -1.228 2.912 -3.158) 4.468 8.353 ( 1.278 -2.986 1.950) 3.789 8.353 ( 1.278 2.986 1.950) 3.789 11.141 ( 0.357 -0.816 -1.297) 1.573 11.141 ( 0.357 0.816 -1.297) 1.573 11.410 ( 0.619 -0.855 2.386) 2.609 11.410 ( 0.619 0.855 2.386) 2.609 11.594 ( -0.786 -0.706 0.331) 1.108 11.594 ( -0.786 0.706 0.331) 1.108 11.845 ( -0.047 -0.737 -0.143) 0.752 11.845 ( -0.047 0.737 -0.143) 0.752 12.351 ( 0.525 -0.487 -0.978) 1.212 12.351 ( 0.525 0.487 -0.978) 1.212 12.369 ( -0.188 -1.403 0.376) 1.465 12.369 ( -0.188 1.403 0.376) 1.465 12.544 ( -0.405 -0.681 -1.469) 1.669 12.544 ( -0.405 0.681 -1.469) 1.669 12.598 ( -0.054 -0.427 -0.024) 0.431 12.598 ( -0.054 0.427 -0.024) 0.431 12.642 ( -0.056 -0.877 0.574) 1.049 12.642 ( -0.056 0.877 0.574) 1.049 12.819 ( -0.346 -0.601 0.139) 0.707 12.819 ( -0.346 0.601 0.139) 0.707 12.886 ( 0.472 -0.980 0.425) 1.168 12.886 ( 0.472 0.980 0.425) 1.168 12.979 ( 0.656 -0.773 0.624) 1.191 12.979 ( 0.656 0.773 0.624) 1.191 13.352 ( 0.206 -0.173 -1.162) 1.193 13.352 ( 0.206 0.173 -1.162) 1.193 13.431 ( 0.337 -0.222 0.720) 0.825 13.431 ( 0.337 0.222 0.720) 0.825 13.930 ( -0.661 -1.190 -0.445) 1.432 13.930 ( -0.661 1.190 -0.445) 1.432 14.066 ( 0.697 -0.722 2.354) 2.559 14.066 ( 0.697 0.722 2.354) 2.559 14.282 ( -0.568 -0.712 -1.613) 1.852 14.282 ( -0.568 0.712 -1.613) 1.852 14.352 ( -0.035 -0.356 0.014) 0.358 14.352 ( -0.035 0.356 0.014) 0.358 ======================= Grid point 163 (83/84) ======================= q-point: ( 0.33 -0.50 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( 15.502 -7.869 -6.799) 18.667 1.904 ( 15.502 7.869 -6.799) 18.667 2.062 ( 17.981 -6.898 -3.775) 19.626 2.062 ( 17.981 6.898 -3.775) 19.626 2.562 ( -4.522 -3.129 -0.925) 5.577 2.562 ( -4.522 3.129 -0.925) 5.577 2.731 ( -9.052 -3.538 1.620) 9.852 2.731 ( -9.052 3.538 1.620) 9.852 3.051 ( -3.281 -0.801 -3.224) 4.669 3.051 ( -3.281 0.801 -3.224) 4.669 3.220 ( 3.163 -1.952 2.847) 4.682 3.220 ( 3.163 1.952 2.847) 4.682 3.243 ( 9.451 -6.654 -1.951) 11.722 3.243 ( 9.451 6.654 -1.951) 11.722 3.448 ( 7.391 -6.620 -2.793) 10.308 3.448 ( 7.391 6.620 -2.793) 10.308 3.603 ( 2.932 -1.704 5.407) 6.382 3.603 ( 2.932 1.704 5.407) 6.382 3.763 ( -2.137 -3.269 7.313) 8.290 3.763 ( -2.137 3.269 7.313) 8.290 3.948 ( -4.950 -1.649 -1.219) 5.358 3.948 ( -4.950 1.649 -1.219) 5.358 4.071 ( -5.557 -2.980 -0.983) 6.382 4.071 ( -5.557 2.980 -0.983) 6.382 4.395 ( -3.719 -1.398 -2.828) 4.877 4.395 ( -3.719 1.398 -2.828) 4.877 4.470 ( 5.839 -2.385 -1.909) 6.589 4.470 ( 5.839 2.385 -1.909) 6.589 4.616 ( -5.861 -2.777 -1.792) 6.728 4.616 ( -5.861 2.777 -1.792) 6.728 5.056 ( -2.920 -0.197 5.572) 6.293 5.056 ( -2.920 0.197 5.572) 6.293 5.247 ( -3.506 -4.795 -5.675) 8.215 5.247 ( -3.506 4.795 -5.675) 8.215 5.502 ( 1.083 -5.041 -1.108) 5.274 5.502 ( 1.083 5.041 -1.108) 5.274 5.651 ( -0.546 -4.986 3.020) 5.854 5.651 ( -0.546 4.986 3.020) 5.854 5.925 ( 1.277 -1.830 0.556) 2.300 5.925 ( 1.277 1.830 0.556) 2.300 6.069 ( -0.925 -1.019 -0.464) 1.452 6.069 ( -0.925 1.019 -0.464) 1.452 6.297 ( 0.471 -3.122 -3.228) 4.516 6.297 ( 0.471 3.122 -3.228) 4.516 6.317 ( -0.814 -3.470 2.672) 4.455 6.317 ( -0.814 3.470 2.672) 4.455 6.579 ( 0.538 -0.131 1.267) 1.383 6.579 ( 0.538 0.131 1.267) 1.383 6.897 ( -2.055 -1.966 -0.632) 2.913 6.897 ( -2.055 1.966 -0.632) 2.913 7.006 ( 1.318 -2.916 -0.988) 3.349 7.006 ( 1.318 2.916 -0.988) 3.349 7.446 ( 2.324 -1.418 2.339) 3.589 7.446 ( 2.324 1.418 2.339) 3.589 7.589 ( 0.085 -1.552 1.671) 2.282 7.589 ( 0.085 1.552 1.671) 2.282 7.871 ( -0.743 -2.905 -2.248) 3.748 7.871 ( -0.743 2.905 -2.248) 3.748 8.393 ( 0.903 -2.257 1.341) 2.776 8.393 ( 0.903 2.257 1.341) 2.776 11.134 ( 0.549 -0.679 -0.810) 1.191 11.134 ( 0.549 0.679 -0.810) 1.191 11.448 ( 0.419 -1.096 1.908) 2.240 11.448 ( 0.419 1.096 1.908) 2.240 11.589 ( -0.505 -0.459 0.448) 0.816 11.589 ( -0.505 0.459 0.448) 0.816 11.840 ( -0.096 -0.768 -0.295) 0.828 11.840 ( -0.096 0.768 -0.295) 0.828 12.346 ( 0.356 -0.442 -0.915) 1.077 12.346 ( 0.356 0.442 -0.915) 1.077 12.369 ( -0.155 -1.083 0.114) 1.100 12.369 ( -0.155 1.083 0.114) 1.100 12.514 ( -0.771 -0.681 -1.331) 1.682 12.514 ( -0.771 0.681 -1.331) 1.682 12.606 ( 0.544 -0.192 0.448) 0.731 12.606 ( 0.544 0.192 0.448) 0.731 12.646 ( -0.099 -0.757 0.177) 0.784 12.646 ( -0.099 0.757 0.177) 0.784 12.816 ( -0.247 -0.565 0.247) 0.664 12.816 ( -0.247 0.565 0.247) 0.664 12.899 ( 0.456 -0.930 0.451) 1.130 12.899 ( 0.456 0.930 0.451) 1.130 12.998 ( 0.556 -0.836 0.636) 1.188 12.998 ( 0.556 0.836 0.636) 1.188 13.340 ( 0.134 -0.180 -1.066) 1.090 13.340 ( 0.134 0.180 -1.066) 1.090 13.443 ( 0.159 -0.227 0.415) 0.499 13.443 ( 0.159 0.227 0.415) 0.499 13.915 ( -0.596 -0.876 -0.246) 1.088 13.915 ( -0.596 0.876 -0.246) 1.088 14.114 ( 0.955 -0.320 2.730) 2.910 14.114 ( 0.955 0.320 2.730) 2.910 14.250 ( -0.511 -0.684 -1.882) 2.067 14.250 ( -0.511 0.684 -1.882) 2.067 14.349 ( -0.227 -0.338 -0.150) 0.434 14.349 ( -0.227 0.338 -0.150) 0.434 ======================= Grid point 165 (84/84) ======================= q-point: ( 0.44 -0.50 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( 11.810 -6.461 -1.825) 13.585 2.097 ( 11.810 6.461 -1.825) 13.585 2.253 ( 10.631 -7.856 -2.419) 13.438 2.253 ( 10.631 7.856 -2.419) 13.438 2.490 ( -8.209 -3.813 -1.318) 9.147 2.490 ( -8.209 3.813 -1.318) 9.147 2.601 ( -4.412 -4.188 3.763) 7.153 2.601 ( -4.412 4.188 3.763) 7.153 2.973 ( -1.947 -1.226 -1.043) 2.526 2.973 ( -1.947 1.226 -1.043) 2.526 3.178 ( -1.970 -0.598 -1.290) 2.430 3.178 ( -1.970 0.598 -1.290) 2.430 3.441 ( 5.595 -3.069 2.644) 6.907 3.441 ( 5.595 3.069 2.644) 6.907 3.558 ( 10.085 -4.269 -2.810) 11.306 3.558 ( 10.085 4.269 -2.810) 11.306 3.731 ( 3.147 -4.737 4.910) 7.514 3.731 ( 3.147 4.737 4.910) 7.514 3.778 ( -5.830 -1.589 2.625) 6.588 3.778 ( -5.830 1.589 2.625) 6.588 3.843 ( -3.483 -2.738 -2.974) 5.335 3.843 ( -3.483 2.738 -2.974) 5.335 3.999 ( -1.565 -1.918 -0.041) 2.476 3.999 ( -1.565 1.918 -0.041) 2.476 4.328 ( -1.561 -0.861 -0.173) 1.791 4.328 ( -1.561 0.861 -0.173) 1.791 4.489 ( -3.472 -1.968 -1.029) 4.121 4.489 ( -3.472 1.968 -1.029) 4.121 4.533 ( 1.950 -1.238 -1.643) 2.835 4.533 ( 1.950 1.238 -1.643) 2.835 5.046 ( -3.900 -1.009 1.853) 4.434 5.046 ( -3.900 1.009 1.853) 4.434 5.137 ( -0.452 -2.840 -3.307) 4.382 5.137 ( -0.452 2.840 -3.307) 4.382 5.546 ( 2.733 -2.964 1.453) 4.286 5.546 ( 2.733 2.964 1.453) 4.286 5.643 ( -2.193 -3.441 -0.753) 4.149 5.643 ( -2.193 3.441 -0.753) 4.149 5.955 ( 1.205 -1.216 1.108) 2.039 5.955 ( 1.205 1.216 1.108) 2.039 6.062 ( -0.237 -0.369 -0.002) 0.439 6.062 ( -0.237 0.369 -0.002) 0.439 6.283 ( 2.060 -3.617 -1.991) 4.615 6.283 ( 2.060 3.617 -1.991) 4.615 6.307 ( -3.061 -4.556 1.348) 5.653 6.307 ( -3.061 4.556 1.348) 5.653 6.607 ( 0.723 -0.285 0.619) 0.994 6.607 ( 0.723 0.285 0.619) 0.994 6.866 ( -1.002 -0.955 -0.140) 1.391 6.866 ( -1.002 0.955 -0.140) 1.391 7.015 ( 0.885 -1.168 -0.466) 1.538 7.015 ( 0.885 1.168 -0.466) 1.538 7.500 ( 1.051 -0.750 1.142) 1.724 7.500 ( 1.051 0.750 1.142) 1.724 7.599 ( -0.290 -0.771 0.424) 0.926 7.599 ( -0.290 0.771 0.424) 0.926 7.841 ( -0.338 -1.301 -0.884) 1.609 7.841 ( -0.338 1.301 -0.884) 1.609 8.416 ( 0.328 -0.815 0.472) 0.997 8.416 ( 0.328 0.815 0.472) 0.997 11.134 ( 0.264 -0.250 -0.259) 0.446 11.134 ( 0.264 0.250 -0.259) 0.446 11.471 ( 0.132 -0.594 0.746) 0.962 11.471 ( 0.132 0.594 0.746) 0.962 11.588 ( -0.172 -0.256 0.196) 0.365 11.588 ( -0.172 0.256 0.196) 0.365 11.837 ( -0.001 -0.314 -0.118) 0.335 11.837 ( -0.001 0.314 -0.118) 0.335 12.340 ( 0.080 -0.111 -0.420) 0.442 12.340 ( 0.080 0.111 -0.420) 0.442 12.368 ( -0.019 -0.394 0.036) 0.396 12.368 ( -0.019 0.394 0.036) 0.396 12.490 ( -0.384 -0.306 -0.530) 0.722 12.490 ( -0.384 0.306 -0.530) 0.722 12.621 ( 0.481 -0.374 0.307) 0.683 12.621 ( 0.481 0.374 0.307) 0.683 12.644 ( -0.222 -0.551 -0.051) 0.597 12.644 ( -0.222 0.551 -0.051) 0.597 12.817 ( -0.084 -0.239 0.131) 0.286 12.817 ( -0.084 0.239 0.131) 0.286 12.910 ( 0.215 -0.424 0.221) 0.524 12.910 ( 0.215 0.424 0.221) 0.524 13.011 ( 0.206 -0.398 0.272) 0.524 13.011 ( 0.206 0.398 0.272) 0.524 13.330 ( 0.033 -0.079 -0.474) 0.481 13.330 ( 0.033 0.079 -0.474) 0.481 13.448 ( 0.033 -0.100 0.131) 0.168 13.448 ( 0.033 0.100 0.131) 0.168 13.906 ( -0.245 -0.330 -0.078) 0.418 13.906 ( -0.245 0.330 -0.078) 0.418 14.167 ( 0.972 -0.220 2.671) 2.851 14.167 ( 0.972 0.220 2.671) 2.851 14.214 ( -0.694 -0.519 -2.265) 2.425 14.214 ( -0.694 0.519 -2.265) 2.425 14.343 ( -0.163 -0.156 -0.108) 0.250 14.343 ( -0.163 0.156 -0.108) 0.250 =================== 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 3/20736 10.0 1663.206 848.925 1307.815 0.000 7.732 0.000 3/20736 20.0 173.445 132.775 158.070 0.000 7.135 0.000 3/20736 30.0 60.829 49.410 56.625 0.000 2.895 0.000 3/20736 40.0 31.986 26.442 29.844 0.000 1.454 0.000 3/20736 50.0 20.486 17.046 19.119 0.000 0.882 0.000 3/20736 60.0 14.727 12.297 13.756 0.000 0.609 0.000 3/20736 70.0 11.397 9.540 10.659 0.000 0.458 0.000 3/20736 80.0 9.269 7.776 8.681 0.000 0.365 0.000 3/20736 90.0 7.805 6.562 7.322 0.000 0.303 0.000 3/20736 100.0 6.743 5.680 6.335 0.000 0.259 0.000 3/20736 110.0 5.939 5.011 5.588 0.000 0.226 0.000 3/20736 120.0 5.309 4.486 5.002 0.000 0.200 0.000 3/20736 130.0 4.803 4.064 4.531 0.000 0.180 0.000 3/20736 140.0 4.387 3.717 4.144 0.000 0.164 0.000 3/20736 150.0 4.040 3.426 3.820 0.000 0.150 0.000 3/20736 160.0 3.745 3.178 3.544 0.000 0.138 0.000 3/20736 170.0 3.491 2.965 3.307 0.000 0.128 0.000 3/20736 180.0 3.271 2.780 3.101 0.000 0.120 0.000 3/20736 190.0 3.077 2.617 2.920 0.000 0.112 0.000 3/20736 200.0 2.906 2.473 2.760 0.000 0.106 0.000 3/20736 210.0 2.753 2.344 2.616 0.000 0.100 0.000 3/20736 220.0 2.616 2.228 2.488 0.000 0.095 0.000 3/20736 230.0 2.492 2.124 2.371 0.000 0.090 0.000 3/20736 240.0 2.380 2.029 2.266 0.000 0.086 0.000 3/20736 250.0 2.278 1.942 2.170 0.000 0.082 0.000 3/20736 260.0 2.184 1.863 2.081 0.000 0.078 0.000 3/20736 270.0 2.098 1.790 2.000 0.000 0.075 0.000 3/20736 280.0 2.018 1.722 1.925 0.000 0.072 0.000 3/20736 290.0 1.945 1.660 1.856 0.000 0.069 0.000 3/20736 300.0 1.876 1.602 1.791 0.000 0.067 0.000 3/20736 310.0 1.813 1.548 1.731 0.000 0.065 0.000 3/20736 320.0 1.754 1.497 1.675 0.000 0.062 0.000 3/20736 330.0 1.698 1.450 1.622 0.000 0.060 0.000 3/20736 340.0 1.646 1.406 1.573 0.000 0.058 0.000 3/20736 350.0 1.597 1.364 1.527 0.000 0.057 0.000 3/20736 360.0 1.551 1.325 1.483 0.000 0.055 0.000 3/20736 370.0 1.508 1.288 1.442 0.000 0.053 0.000 3/20736 380.0 1.467 1.253 1.403 0.000 0.052 0.000 3/20736 390.0 1.428 1.220 1.366 0.000 0.050 0.000 3/20736 400.0 1.391 1.189 1.331 0.000 0.049 0.000 3/20736 410.0 1.356 1.159 1.298 0.000 0.048 0.000 3/20736 420.0 1.323 1.131 1.266 0.000 0.047 0.000 3/20736 430.0 1.291 1.104 1.236 0.000 0.046 0.000 3/20736 440.0 1.261 1.078 1.208 0.000 0.044 0.000 3/20736 450.0 1.233 1.054 1.180 0.000 0.043 0.000 3/20736 460.0 1.205 1.031 1.154 0.000 0.042 0.000 3/20736 470.0 1.179 1.008 1.129 0.000 0.041 0.000 3/20736 480.0 1.154 0.987 1.105 0.000 0.041 0.000 3/20736 490.0 1.130 0.966 1.082 0.000 0.040 0.000 3/20736 500.0 1.107 0.947 1.060 0.000 0.039 0.000 3/20736 510.0 1.085 0.928 1.039 0.000 0.038 0.000 3/20736 520.0 1.063 0.910 1.019 0.000 0.037 0.000 3/20736 530.0 1.043 0.892 1.000 0.000 0.037 0.000 3/20736 540.0 1.023 0.875 0.981 0.000 0.036 0.000 3/20736 550.0 1.004 0.859 0.963 0.000 0.035 0.000 3/20736 560.0 0.986 0.844 0.945 0.000 0.035 0.000 3/20736 570.0 0.969 0.829 0.929 0.000 0.034 0.000 3/20736 580.0 0.952 0.814 0.912 0.000 0.033 0.000 3/20736 590.0 0.935 0.800 0.897 0.000 0.033 0.000 3/20736 600.0 0.920 0.787 0.882 0.000 0.032 0.000 3/20736 610.0 0.904 0.774 0.867 0.000 0.032 0.000 3/20736 620.0 0.890 0.761 0.853 0.000 0.031 0.000 3/20736 630.0 0.875 0.749 0.839 0.000 0.031 0.000 3/20736 640.0 0.861 0.737 0.826 0.000 0.030 0.000 3/20736 650.0 0.848 0.726 0.813 0.000 0.030 0.000 3/20736 660.0 0.835 0.715 0.801 0.000 0.029 0.000 3/20736 670.0 0.822 0.704 0.789 0.000 0.029 0.000 3/20736 680.0 0.810 0.693 0.777 0.000 0.028 0.000 3/20736 690.0 0.798 0.683 0.766 0.000 0.028 0.000 3/20736 700.0 0.787 0.673 0.755 0.000 0.028 0.000 3/20736 710.0 0.776 0.664 0.744 0.000 0.027 0.000 3/20736 720.0 0.765 0.654 0.734 0.000 0.027 0.000 3/20736 730.0 0.754 0.645 0.723 0.000 0.026 0.000 3/20736 740.0 0.744 0.637 0.714 0.000 0.026 0.000 3/20736 750.0 0.734 0.628 0.704 0.000 0.026 0.000 3/20736 760.0 0.724 0.620 0.695 0.000 0.025 0.000 3/20736 770.0 0.715 0.612 0.686 0.000 0.025 0.000 3/20736 780.0 0.705 0.604 0.677 0.000 0.025 0.000 3/20736 790.0 0.696 0.596 0.668 0.000 0.024 0.000 3/20736 800.0 0.688 0.589 0.660 0.000 0.024 0.000 3/20736 810.0 0.679 0.581 0.652 0.000 0.024 0.000 3/20736 820.0 0.671 0.574 0.644 0.000 0.023 0.000 3/20736 830.0 0.663 0.567 0.636 0.000 0.023 0.000 3/20736 840.0 0.655 0.560 0.628 0.000 0.023 0.000 3/20736 850.0 0.647 0.554 0.621 0.000 0.023 0.000 3/20736 860.0 0.639 0.547 0.614 0.000 0.022 0.000 3/20736 870.0 0.632 0.541 0.606 0.000 0.022 0.000 3/20736 880.0 0.625 0.535 0.599 0.000 0.022 0.000 3/20736 890.0 0.618 0.529 0.593 0.000 0.022 0.000 3/20736 900.0 0.611 0.523 0.586 0.000 0.021 0.000 3/20736 910.0 0.604 0.517 0.580 0.000 0.021 0.000 3/20736 920.0 0.597 0.511 0.573 0.000 0.021 0.000 3/20736 930.0 0.591 0.506 0.567 0.000 0.021 0.000 3/20736 940.0 0.585 0.500 0.561 0.000 0.020 0.000 3/20736 950.0 0.578 0.495 0.555 0.000 0.020 0.000 3/20736 960.0 0.572 0.490 0.549 0.000 0.020 0.000 3/20736 970.0 0.566 0.485 0.544 0.000 0.020 0.000 3/20736 980.0 0.561 0.480 0.538 0.000 0.020 0.000 3/20736 990.0 0.555 0.475 0.533 0.000 0.019 0.000 3/20736 1000.0 0.549 0.470 0.527 0.000 0.019 0.000 3/20736 Thermal conductivity related properties were written into "kappa-m946.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 18:42:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|